smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000000634280 551505924 /nfs/dbraw/zinc/50/59/24/551505924.db2.gz MLKWHDUYNQSAMQ-MOBKVPTQSA-N 0 0 520.010 3.355 40 30 KGEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000000634282 193860468 /nfs/dbraw/zinc/86/04/68/193860468.db2.gz MLKWHDUYNQSAMQ-HOGKFDNTSA-N 0 0 520.010 3.355 40 30 KGEBRN COc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/n1c2nncn2nc(C(C)(C)C)c1=O ZINC000001105695 1060052116 /nfs/dbraw/zinc/05/21/16/1060052116.db2.gz FXCXGLLPCCRFIK-RPPGKUMJSA-N 0 0 525.363 3.456 40 30 KGEBRN Cc1ccc(S(=O)(=O)/N=C2\CCN(S(=O)(=O)c3ccc(C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001581953 551685241 /nfs/dbraw/zinc/68/52/41/551685241.db2.gz OGOTYOQSYPDSKB-OCOZRVBESA-N 0 0 547.680 3.400 40 30 KGEBRN Cc1ccc(S(=O)(=O)/N=C2\CCN(S(=O)(=O)c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001581955 551685300 /nfs/dbraw/zinc/68/53/00/551685300.db2.gz KQSAPANFQDYBEJ-WCWDXBQESA-N 0 0 533.653 3.091 40 30 KGEBRN Cc1cc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)ccc1/C=N/c1cccc(Br)c1 ZINC000001655567 551687985 /nfs/dbraw/zinc/68/79/85/551687985.db2.gz IBYPNPBFBRWLGG-PXLXIMEGSA-N 0 0 533.466 3.267 40 30 KGEBRN O=C1c2ccccc2C(=O)C(NNc2nnc(NNC3=C(Cl)C(=O)c4ccccc4C3=O)c3ccccc32)=C1Cl ZINC000001697067 551689672 /nfs/dbraw/zinc/68/96/72/551689672.db2.gz CLYVTIMBEHOZSW-UHFFFAOYSA-N 0 0 571.380 3.366 40 30 KGEBRN CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(=O)C(F)(F)F)C[C@@]21C ZINC000001701687 551689994 /nfs/dbraw/zinc/68/99/94/551689994.db2.gz BAPGIVXYIWMZIY-PAFDXDHHSA-N 0 0 500.510 3.466 40 30 KGEBRN O=[N+]([O-])c1ccc(S(=O)(=O)OCc2ccccc2COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001716368 551690637 /nfs/dbraw/zinc/69/06/37/551690637.db2.gz JRYPMXWWZLZQQA-UHFFFAOYSA-N 0 0 508.486 3.314 40 30 KGEBRN O=S(=O)(OCC#CCOS(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000001736619 551690908 /nfs/dbraw/zinc/69/09/08/551690908.db2.gz OXJRVXPROOBDCV-UHFFFAOYSA-N 0 0 524.208 3.326 40 30 KGEBRN Cc1ccc(S(=O)(=O)NC(C)(COS(=O)(=O)c2ccc(C)cc2)COS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001763162 551694726 /nfs/dbraw/zinc/69/47/26/551694726.db2.gz KFKHTTSOQOFXGU-UHFFFAOYSA-N 0 0 567.707 3.460 40 30 KGEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)cc4OC)c(=O)n32)cc1 ZINC000002049373 551737266 /nfs/dbraw/zinc/73/72/66/551737266.db2.gz VZGVNZLFGPIYBQ-RISWYLRJSA-N 0 0 550.633 3.389 40 30 KGEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)cc4OC)c(=O)n32)cc1 ZINC000002049375 551737250 /nfs/dbraw/zinc/73/72/50/551737250.db2.gz VZGVNZLFGPIYBQ-LMSRTUJASA-N 0 0 550.633 3.389 40 30 KGEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1OCC ZINC000002121268 551770670 /nfs/dbraw/zinc/77/06/70/551770670.db2.gz YFYGHHDUMCXRFS-RISWYLRJSA-N 0 0 580.659 3.485 40 30 KGEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1OCC ZINC000002121271 551770653 /nfs/dbraw/zinc/77/06/53/551770653.db2.gz YFYGHHDUMCXRFS-LMSRTUJASA-N 0 0 580.659 3.485 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000002176883 551783450 /nfs/dbraw/zinc/78/34/50/551783450.db2.gz AUHPHHJVTQOODC-FOOJEKODSA-N 0 0 533.606 3.108 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000002176885 551783484 /nfs/dbraw/zinc/78/34/84/551783484.db2.gz AUHPHHJVTQOODC-FVIVVMBBSA-N 0 0 533.606 3.108 40 30 KGEBRN Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3C4=C(Nc5c3c(=O)n(C)c(=O)n5C)c3ccccc3C4=O)cc2)cc1 ZINC000002363579 552103359 /nfs/dbraw/zinc/10/33/59/552103359.db2.gz UNCSMVRYFISXGP-JOCHJYFZSA-N 0 0 541.585 3.325 40 30 KGEBRN Cc1ccc(S(=O)(=O)Oc2ccc([C@H]3C4=C(Nc5c3c(=O)n(C)c(=O)n5C)c3ccccc3C4=O)cc2)cc1 ZINC000002363580 552103331 /nfs/dbraw/zinc/10/33/31/552103331.db2.gz UNCSMVRYFISXGP-QFIPXVFZSA-N 0 0 541.585 3.325 40 30 KGEBRN CCOc1cc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc(Br)c1OCC(=O)N(C)C ZINC000002658667 552150019 /nfs/dbraw/zinc/15/00/19/552150019.db2.gz MXCVVQNIKRNGRK-FSJBWODESA-N 0 0 512.426 3.244 40 30 KGEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002806176 552195866 /nfs/dbraw/zinc/19/58/66/552195866.db2.gz QDMRNONJSCYPEJ-ZPDQPEGFSA-N 0 0 532.571 3.233 40 30 KGEBRN O=C(/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003165616 552297963 /nfs/dbraw/zinc/29/79/63/552297963.db2.gz CHMIYZWMCQTWFA-VYIQYICTSA-N 0 0 541.427 3.315 40 30 KGEBRN Cc1cccc(/C=N/N=C2\NC(=O)[C@H](C)S2)c1OS(=O)(=O)c1ccc(I)cc1 ZINC000003168358 552298525 /nfs/dbraw/zinc/29/85/25/552298525.db2.gz XCAAKUQDUQALHO-QDBSGRMGSA-N 0 0 529.381 3.309 40 30 KGEBRN Cc1c(N/N=C2\C=N/C(=N/C(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)S2)c(=O)n(-c2ccccc2)n1C ZINC000003189730 552301881 /nfs/dbraw/zinc/30/18/81/552301881.db2.gz DXVDHAABOSLFEQ-DMYHVKAVSA-N 0 0 551.654 3.008 40 30 KGEBRN COc1ccc(-n2c(=O)/c(=C/c3ccc(F)cc3)s/c2=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 ZINC000003190716 552302080 /nfs/dbraw/zinc/30/20/80/552302080.db2.gz MNWUVPQBUGQDNL-XNLOHMTNSA-N 0 0 580.645 3.015 40 30 KGEBRN CCOc1ccc(-n2c(=O)/c(=C/c3ccc(OC(F)F)cc3)s/c2=C(/C#N)C(=O)N2CCCC2)cc1 ZINC000003255333 552324154 /nfs/dbraw/zinc/32/41/54/552324154.db2.gz KRBVKOOTWNQYCA-DZLBOJMASA-N 0 0 511.550 3.025 40 30 KGEBRN O=S(=O)(c1ccc(NC(=S)N/N=C/c2c[nH]c3ccc(Br)cc23)cc1)N1CCOCC1 ZINC000003256535 552324287 /nfs/dbraw/zinc/32/42/87/552324287.db2.gz YWMWXUDBIBZQGG-YDZHTSKRSA-N 0 0 522.450 3.272 40 30 KGEBRN CC(C)(C)C(=O)/C(C#N)=c1\s/c(=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 ZINC000003260737 552326278 /nfs/dbraw/zinc/32/62/78/552326278.db2.gz KMASBDKFPLCIFP-QOJYFNHSSA-N 0 0 551.650 3.056 40 30 KGEBRN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/n1c(SCC(=O)N2CCOCC2)nnc1C(F)(F)F ZINC000003270687 552331767 /nfs/dbraw/zinc/33/17/67/552331767.db2.gz GNRMPFJQPVHYEY-OPEKNORGSA-N 0 0 513.933 3.278 40 30 KGEBRN N#C/C(C(=O)NCc1ccccc1)=c1/s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1 ZINC000003312745 552352733 /nfs/dbraw/zinc/35/27/33/552352733.db2.gz XQJBJFRFIGPTCY-QSOFFMSNSA-N 0 0 503.530 3.320 40 30 KGEBRN N#C/C(C(=O)N1CCN(c2ccccc2F)CC1)=c1/s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1 ZINC000003312770 552352737 /nfs/dbraw/zinc/35/27/37/552352737.db2.gz DSJMYPNCOZHJOP-OOVLAANKSA-N 0 0 576.600 3.491 40 30 KGEBRN COc1ccc(C(=O)/N=C2\c3ccccc3CN2c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000003320595 552355230 /nfs/dbraw/zinc/35/52/30/552355230.db2.gz MTABUFQJNKXPJE-IMVLJIQESA-N 0 0 536.566 3.232 40 30 KGEBRN Cc1cc(/C=N/NC(=S)NC2CCCCC2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003320886 552355551 /nfs/dbraw/zinc/35/55/51/552355551.db2.gz IZHOVAZIMRNHHT-KOEQRZSOSA-N 0 0 503.694 3.246 40 30 KGEBRN COc1cc(C=NN2C(=S)N=NC2c2ccccc2Br)ccc1OCC(=O)N1CCOCC1 ZINC000003433083 552385817 /nfs/dbraw/zinc/38/58/17/552385817.db2.gz VOBTYHOAXVHDQY-ZMOGYAJESA-N 0 0 532.420 3.125 40 30 KGEBRN C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)c3ccc(OC)cc3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C ZINC000003841080 552420039 /nfs/dbraw/zinc/42/00/39/552420039.db2.gz GDWFQUULSYHUKS-JEPPUSMKSA-N 0 0 525.671 3.301 40 30 biogenic,in-vitro KGEBRN C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)c3ccc(F)cc3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C ZINC000003841096 291771889 /nfs/dbraw/zinc/77/18/89/291771889.db2.gz SHCVVFVBCABMSA-BWSFKYGTSA-N 0 0 513.635 3.432 40 30 biogenic,in-vitro KGEBRN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)c1ccc(CO[N+](=O)[O-])cc1 ZINC000003974177 552424136 /nfs/dbraw/zinc/42/41/36/552424136.db2.gz MJHYBJOMJPGNMM-KGWLDMEJSA-N 0 0 539.581 3.131 40 30 KGEBRN C=CCNC(=O)O[C@@H]1CC(C(=O)N[C@H](CC(C)C)C(N)=O)=C[C@@H](NC(=S)Nc2ccc(C)cc2Br)[C@H]1OC(=O)NCC=C ZINC000004147159 1060053620 /nfs/dbraw/zinc/05/36/20/1060053620.db2.gz PGVIMLYCOLTJLJ-MOUTVQLLSA-N 0 0 679.638 3.320 40 30 biogenic,in-vitro KGEBRN CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)C2CC2)O1 ZINC000004212545 552449497 /nfs/dbraw/zinc/44/94/97/552449497.db2.gz TZBDXWBBMOEVPI-XBQQDWOSSA-N 0 0 520.569 3.328 40 30 in-man KGEBRN CCC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C ZINC000004214190 552449722 /nfs/dbraw/zinc/44/97/22/552449722.db2.gz UBOIMZIXNXGQOH-RTWVSBIPSA-N 0 0 508.558 3.328 40 30 in-man KGEBRN C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)c3ccnc(Cl)c3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C ZINC000004222379 552450887 /nfs/dbraw/zinc/45/08/87/552450887.db2.gz VRGQMTOUFQSEAE-ORRJGVMRSA-N 0 0 531.078 3.341 40 30 biogenic,in-vitro KGEBRN C#CCNC(=O)C[C@@H]1c2nc(NC(=O)c3c(F)cccc3F)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C ZINC000004222411 552450895 /nfs/dbraw/zinc/45/08/95/552450895.db2.gz HMNULINOUGTQAB-ISJTUHKJSA-N 0 0 517.598 3.229 40 30 biogenic,in-vitro KGEBRN C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)c3cccc(F)c3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C ZINC000004222482 552451200 /nfs/dbraw/zinc/45/12/00/552451200.db2.gz UKGHXWALLCHGMD-BWSFKYGTSA-N 0 0 513.635 3.432 40 30 biogenic,in-vitro KGEBRN N#Cc1ccccc1S(=O)(=O)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)CO[C@H]12 ZINC000004235548 552451556 /nfs/dbraw/zinc/45/15/56/552451556.db2.gz XFKICQTYWLHEFG-WREZULKGSA-N 0 0 521.551 3.412 40 30 biogenic,in-vitro KGEBRN C=C1C(=O)[C@]23[C@H](OC(C)=O)[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(COC(C)=O)CCCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000004268208 552455061 /nfs/dbraw/zinc/45/50/61/552455061.db2.gz GCOUPDRSVLXHPJ-DPJLLLBNSA-N 0 0 518.603 3.322 40 30 KGEBRN Cc1c(N/N=C(/C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000004292691 552456672 /nfs/dbraw/zinc/45/66/72/552456672.db2.gz LKOROTJBCXCFPN-PNHLSOANSA-N 0 0 519.539 3.475 40 30 KGEBRN Cn1c2nc(N=NC=C(Cl)Cc3ccc([N+](=O)[O-])cc3)n(CCOc3ccccc3)c2c(=O)[nH]c1=O ZINC000004470036 552461680 /nfs/dbraw/zinc/46/16/80/552461680.db2.gz SXAWYGOUGRRKIR-QEHIAQPESA-N 0 0 509.910 3.088 40 30 KGEBRN CCCCOC(=O)[C@@H]1C[C@H]2O[C@H]2C[C@@H]1C(=O)OCCCCOC(=O)[C@@H]1C[C@H]2O[C@H]2C[C@@H]1C(=O)OCCCC ZINC000004722285 552472808 /nfs/dbraw/zinc/47/28/08/552472808.db2.gz DISLGZFUTHZWBU-VKFXDHOHSA-N 0 0 538.634 3.127 40 30 KGEBRN CCCCOC(=O)[C@H]1C[C@@H]2O[C@@H]2C[C@H]1C(=O)OCCCCOC(=O)[C@H]1C[C@@H]2O[C@@H]2C[C@@H]1C(=O)OCCCC ZINC000004722289 552472792 /nfs/dbraw/zinc/47/27/92/552472792.db2.gz DISLGZFUTHZWBU-BHXDCAKSSA-N 0 0 538.634 3.127 40 30 KGEBRN CO[C@H]1O[C@@H]([C@@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OS(C)(=O)=O ZINC000004769593 552481524 /nfs/dbraw/zinc/48/15/24/552481524.db2.gz PDWWOWKJKIKWJV-ZKNIRDGJSA-N 0 0 584.599 3.011 40 30 KGEBRN CO[C@@H]1O[C@@H]([C@@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OS(C)(=O)=O ZINC000004769594 552481534 /nfs/dbraw/zinc/48/15/34/552481534.db2.gz PDWWOWKJKIKWJV-HMQOUSPZSA-N 0 0 584.599 3.011 40 30 KGEBRN CO[C@H]1O[C@@H]([C@@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OS(C)(=O)=O ZINC000004769595 552481452 /nfs/dbraw/zinc/48/14/52/552481452.db2.gz PDWWOWKJKIKWJV-JBBRWPJWSA-N 0 0 584.599 3.011 40 30 KGEBRN CO[C@@H]1O[C@@H]([C@@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OS(C)(=O)=O ZINC000004769596 552481525 /nfs/dbraw/zinc/48/15/25/552481525.db2.gz PDWWOWKJKIKWJV-YPJMQKPISA-N 0 0 584.599 3.011 40 30 KGEBRN CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](OC(=O)C(F)(F)F)C[C@@]21C ZINC000004887120 552488571 /nfs/dbraw/zinc/48/85/71/552488571.db2.gz BAPGIVXYIWMZIY-ZJUZSDNKSA-N 0 0 500.510 3.466 40 30 KGEBRN CO[C@H]1OC[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccccc1 ZINC000004933713 552489866 /nfs/dbraw/zinc/48/98/66/552489866.db2.gz WQNROMUETAWROW-UDFVPUEDSA-N 0 0 616.557 3.339 40 30 KGEBRN CO[C@H]1OC[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccccc1 ZINC000004933715 552489798 /nfs/dbraw/zinc/48/97/98/552489798.db2.gz WQNROMUETAWROW-MZLPPYGWSA-N 0 0 616.557 3.339 40 30 KGEBRN CO[C@H]1OC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccccc1 ZINC000004933716 552489806 /nfs/dbraw/zinc/48/98/06/552489806.db2.gz WQNROMUETAWROW-VNAWGFGGSA-N 0 0 616.557 3.339 40 30 KGEBRN CO[C@H]1OC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccccc1 ZINC000004933717 552489821 /nfs/dbraw/zinc/48/98/21/552489821.db2.gz WQNROMUETAWROW-LUFNOOMBSA-N 0 0 616.557 3.339 40 30 KGEBRN COC1(OC)[C@]2(Br)c3c(c(O)ccc3O)[C@@]1(Br)C(Br)=C2Br ZINC000004973208 552490899 /nfs/dbraw/zinc/49/08/99/552490899.db2.gz KBKYGVGZDFGKGC-RJVLYZLMSA-N 0 0 549.835 3.212 40 30 KGEBRN COC1(OC)[C@]2(Br)c3c(c(O)ccc3O)[C@@]1(Br)C(Br)=C2Br ZINC000004973209 552490866 /nfs/dbraw/zinc/49/08/66/552490866.db2.gz KBKYGVGZDFGKGC-ZTCHHREXSA-N 0 0 549.835 3.212 40 30 KGEBRN COc1cc(C(=O)Oc2ccc3c(n2)C(=O)C=C(OC(=O)c2cc(OC)c(OC)c(OC)c2)C3=O)cc(OC)c1OC ZINC000004994309 552491435 /nfs/dbraw/zinc/49/14/35/552491435.db2.gz UJGWHFCKAUMCDA-UHFFFAOYSA-N 0 0 579.514 3.472 40 30 KGEBRN Cc1cn([C@@H]2C[C@H](OS(C)(=O)=O)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O ZINC000005085204 552493440 /nfs/dbraw/zinc/49/34/40/552493440.db2.gz NLAIOTWSOVURMN-QKDODKLFSA-N 0 0 562.644 3.486 40 30 KGEBRN Cc1cn([C@H]2C[C@H](OS(C)(=O)=O)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O ZINC000005085205 552493448 /nfs/dbraw/zinc/49/34/48/552493448.db2.gz NLAIOTWSOVURMN-GMQQYTKMSA-N 0 0 562.644 3.486 40 30 KGEBRN Cc1cn([C@@H]2C[C@@H](OS(C)(=O)=O)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O ZINC000005085206 552493465 /nfs/dbraw/zinc/49/34/65/552493465.db2.gz NLAIOTWSOVURMN-PVHODMMVSA-N 0 0 562.644 3.486 40 30 KGEBRN Cc1cn([C@H]2C[C@@H](OS(C)(=O)=O)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O ZINC000005085207 552493483 /nfs/dbraw/zinc/49/34/83/552493483.db2.gz NLAIOTWSOVURMN-KWXIBIRDSA-N 0 0 562.644 3.486 40 30 KGEBRN CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=S)Nc3cccc(C#N)c3)n2)cc1 ZINC000005398215 291783030 /nfs/dbraw/zinc/78/30/30/291783030.db2.gz NHVVZUMTFOWGFQ-CJRSTVEYSA-N 0 0 501.616 3.015 40 30 biogenic,in-vitro KGEBRN N#Cc1ccc(C(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(S(=O)(=O)c3cccc4cccnc43)C2)cc1 ZINC000005413664 552501723 /nfs/dbraw/zinc/50/17/23/552501723.db2.gz XLTZSHHALBLRRG-SIKLNZKXSA-N 0 0 525.590 3.328 40 30 biogenic,in-vitro KGEBRN CC(=O)OC[C@H]1O[C@@H](OC2C(=O)c3ccccc3C(=O)C2=CC=C(Cl)Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005430765 552501673 /nfs/dbraw/zinc/50/16/73/552501673.db2.gz YDEPCCXLMFQLMY-ZBDVVHIFSA-N 0 0 613.399 3.129 40 30 KGEBRN CC(=O)OC[C@@H]1O[C@@H](OC2C(=O)c3ccccc3C(=O)C2=CC=C(Cl)Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005430767 552501699 /nfs/dbraw/zinc/50/16/99/552501699.db2.gz YDEPCCXLMFQLMY-UVUUWJHSSA-N 0 0 613.399 3.129 40 30 KGEBRN CC(=O)OC[C@H]1O[C@@H](OC2C(=O)c3ccccc3C(=O)C2=CC=C(Cl)Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005430768 552501738 /nfs/dbraw/zinc/50/17/38/552501738.db2.gz YDEPCCXLMFQLMY-PXLWWVJOSA-N 0 0 613.399 3.129 40 30 KGEBRN CC(=O)OC[C@@H]1O[C@@H](OC2C(=O)c3ccccc3C(=O)C2=CC=C(Cl)Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005430769 552501654 /nfs/dbraw/zinc/50/16/54/552501654.db2.gz YDEPCCXLMFQLMY-AMHVUCMBSA-N 0 0 613.399 3.129 40 30 KGEBRN CC(=O)OC[C@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005537078 552504162 /nfs/dbraw/zinc/50/41/62/552504162.db2.gz XWZKHPDPRLNVIU-ABZQKAAASA-N 0 0 548.614 3.004 40 30 KGEBRN CC(=O)OC[C@@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005537088 552504152 /nfs/dbraw/zinc/50/41/52/552504152.db2.gz XWZKHPDPRLNVIU-KFEALIJWSA-N 0 0 548.614 3.004 40 30 KGEBRN CC(=O)OC[C@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005537090 552504130 /nfs/dbraw/zinc/50/41/30/552504130.db2.gz XWZKHPDPRLNVIU-WJGLBBAVSA-N 0 0 548.614 3.004 40 30 KGEBRN CC(=O)OC[C@@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005537091 552504173 /nfs/dbraw/zinc/50/41/73/552504173.db2.gz XWZKHPDPRLNVIU-VMAPGKTHSA-N 0 0 548.614 3.004 40 30 KGEBRN N#Cc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c2nc[nH]c(=O)c12 ZINC000005544738 552504558 /nfs/dbraw/zinc/50/45/58/552504558.db2.gz HVJIZKAPCMQVIJ-YQASLYCHSA-N 0 0 605.563 3.197 40 30 KGEBRN N#Cc1nn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c2nc[nH]c(=O)c12 ZINC000005544742 552504644 /nfs/dbraw/zinc/50/46/44/552504644.db2.gz HVJIZKAPCMQVIJ-UEQJIGKFSA-N 0 0 605.563 3.197 40 30 KGEBRN N#Cc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c2nc[nH]c(=O)c12 ZINC000005544747 552504562 /nfs/dbraw/zinc/50/45/62/552504562.db2.gz HVJIZKAPCMQVIJ-JAVQUFKRSA-N 0 0 605.563 3.197 40 30 KGEBRN N#Cc1nn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c2nc[nH]c(=O)c12 ZINC000005544751 552504564 /nfs/dbraw/zinc/50/45/64/552504564.db2.gz HVJIZKAPCMQVIJ-PTSPBZQHSA-N 0 0 605.563 3.197 40 30 KGEBRN CS(=O)(=O)O[C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005662685 552505947 /nfs/dbraw/zinc/50/59/47/552505947.db2.gz MYQXMTLALZTTFT-RGSZASNESA-N 0 0 548.617 3.178 40 30 KGEBRN CS(=O)(=O)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005662686 552505986 /nfs/dbraw/zinc/50/59/86/552505986.db2.gz MYQXMTLALZTTFT-ZWEKWIFMSA-N 0 0 548.617 3.178 40 30 KGEBRN CS(=O)(=O)O[C@@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005662687 552506066 /nfs/dbraw/zinc/50/60/66/552506066.db2.gz MYQXMTLALZTTFT-SLQPCKNISA-N 0 0 548.617 3.178 40 30 KGEBRN CS(=O)(=O)O[C@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005662688 552505982 /nfs/dbraw/zinc/50/59/82/552505982.db2.gz MYQXMTLALZTTFT-WEWMWRJBSA-N 0 0 548.617 3.178 40 30 KGEBRN CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccccc3)cc(-c3ccccc3)c(C#N)c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005808648 552509321 /nfs/dbraw/zinc/50/93/21/552509321.db2.gz HTWBZYRZYRIZQI-MCLUNMOSSA-N 0 0 602.596 3.310 40 30 KGEBRN CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)cc(-c3ccccc3)c(C#N)c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005808651 552509327 /nfs/dbraw/zinc/50/93/27/552509327.db2.gz HTWBZYRZYRIZQI-WRPDIKACSA-N 0 0 602.596 3.310 40 30 KGEBRN CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccccc3)cc(-c3ccccc3)c(C#N)c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005808653 552509335 /nfs/dbraw/zinc/50/93/35/552509335.db2.gz HTWBZYRZYRIZQI-HFYPLPCWSA-N 0 0 602.596 3.310 40 30 KGEBRN CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)cc(-c3ccccc3)c(C#N)c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005808655 552509339 /nfs/dbraw/zinc/50/93/39/552509339.db2.gz HTWBZYRZYRIZQI-QEIYHMDRSA-N 0 0 602.596 3.310 40 30 KGEBRN CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccc(C)cc3)cc(-c3ccco3)c(C#N)c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005808678 552509704 /nfs/dbraw/zinc/50/97/04/552509704.db2.gz OJDBOPGTTSDXSZ-ANAWQLKTSA-N 0 0 606.584 3.211 40 30 KGEBRN CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccc(C)cc3)cc(-c3ccco3)c(C#N)c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005808679 552509734 /nfs/dbraw/zinc/50/97/34/552509734.db2.gz OJDBOPGTTSDXSZ-MYFOLEFESA-N 0 0 606.584 3.211 40 30 KGEBRN CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccc(C)cc3)cc(-c3ccco3)c(C#N)c2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005808681 552509727 /nfs/dbraw/zinc/50/97/27/552509727.db2.gz OJDBOPGTTSDXSZ-VLVSLWAVSA-N 0 0 606.584 3.211 40 30 KGEBRN CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccc(C)cc3)cc(-c3ccco3)c(C#N)c2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005808683 552509740 /nfs/dbraw/zinc/50/97/40/552509740.db2.gz OJDBOPGTTSDXSZ-QHPYGSKZSA-N 0 0 606.584 3.211 40 30 KGEBRN CC(=CC(=O)Nc1ccc(NC(=O)C(C)=NNS(=O)(=O)c2ccc(C)cc2)cc1)NNS(=O)(=O)c1ccc(C)cc1 ZINC000005810423 552509861 /nfs/dbraw/zinc/50/98/61/552509861.db2.gz BDZXUBWQVBLGJZ-OQIGUVFWSA-N 0 0 598.707 3.279 40 30 KGEBRN CCc1cc(-c2ccco2)c(C#N)c(=S)n1[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005955331 552516704 /nfs/dbraw/zinc/51/67/04/552516704.db2.gz PBZNXGBNYLNFSO-ZLFMQQKDSA-N 0 0 560.581 3.167 40 30 KGEBRN CCc1cc(-c2ccco2)c(C#N)c(=S)n1[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005955333 552516697 /nfs/dbraw/zinc/51/66/97/552516697.db2.gz PBZNXGBNYLNFSO-XTAUHMBVSA-N 0 0 560.581 3.167 40 30 KGEBRN CCc1cc(-c2ccco2)c(C#N)c(=S)n1[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005955335 552516692 /nfs/dbraw/zinc/51/66/92/552516692.db2.gz PBZNXGBNYLNFSO-QVXKZJQXSA-N 0 0 560.581 3.167 40 30 KGEBRN CCc1cc(-c2ccco2)c(C#N)c(=S)n1[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005955336 552516720 /nfs/dbraw/zinc/51/67/20/552516720.db2.gz PBZNXGBNYLNFSO-VCDBXAJLSA-N 0 0 560.581 3.167 40 30 KGEBRN CC(=O)OC[C@H]1O[C@@H](n2c3c(c(-c4ccco4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005956109 552516660 /nfs/dbraw/zinc/51/66/60/552516660.db2.gz IEAUJZRVZPBRTJ-LZPKFASSSA-N 0 0 586.619 3.484 40 30 KGEBRN CC(=O)OC[C@@H]1O[C@@H](n2c3c(c(-c4ccco4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005956111 552516708 /nfs/dbraw/zinc/51/67/08/552516708.db2.gz IEAUJZRVZPBRTJ-NPHOHLEASA-N 0 0 586.619 3.484 40 30 KGEBRN CC(=O)OC[C@H]1O[C@@H](n2c3c(c(-c4ccco4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005956114 552516730 /nfs/dbraw/zinc/51/67/30/552516730.db2.gz 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ZINC000015980412 553548501 /nfs/dbraw/zinc/54/85/01/553548501.db2.gz AQYRXRUCKCYFHZ-WRVMIKOWSA-N 0 0 518.592 3.393 40 30 KGEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000015980414 553548537 /nfs/dbraw/zinc/54/85/37/553548537.db2.gz AQYRXRUCKCYFHZ-UTAHCTPNSA-N 0 0 518.592 3.393 40 30 KGEBRN O=S(=O)(c1ccc(Cl)c(NC(=S)N/N=C/c2ccccc2OC(F)F)c1)N1CCOCC1 ZINC000015981434 553548889 /nfs/dbraw/zinc/54/88/89/553548889.db2.gz IBDWQTIZPYUZCU-FSJBWODESA-N 0 0 504.968 3.283 40 30 KGEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016035329 553552006 /nfs/dbraw/zinc/55/20/06/553552006.db2.gz PEGNXSAPICOOSO-JXDROGBKSA-N 0 0 516.645 3.078 40 30 KGEBRN CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016035330 553552017 /nfs/dbraw/zinc/55/20/17/553552017.db2.gz PEGNXSAPICOOSO-LRJXLTTPSA-N 0 0 516.645 3.078 40 30 KGEBRN COc1cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)c(Br)cc1OCC(=O)NCCc1ccccc1 ZINC000016606759 553568993 /nfs/dbraw/zinc/56/89/93/553568993.db2.gz CRVSBFWSIXOZNN-QHCPKHFHSA-N 0 0 516.392 3.412 40 30 KGEBRN COc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)c(Br)cc1OCC(=O)NCCc1ccccc1 ZINC000016606762 553569050 /nfs/dbraw/zinc/56/90/50/553569050.db2.gz CRVSBFWSIXOZNN-HSZRJFAPSA-N 0 0 516.392 3.412 40 30 KGEBRN CCN(CCNS(C)(=O)=O)c1ccc(/N=C/C(C(C)=O)=C2\C(=O)N(c3ccccc3)N=C2C)c(C)c1 ZINC000016678680 553571868 /nfs/dbraw/zinc/57/18/68/553571868.db2.gz VFQCKBVBPZBSMA-SRJSQUKGSA-N 0 0 509.632 3.381 40 30 KGEBRN COc1ccc(C(=O)/N=C2/S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2)cc1OC ZINC000016739596 553579200 /nfs/dbraw/zinc/57/92/00/553579200.db2.gz IZHBIJXEKLEEBC-JPONUYRWSA-N 0 0 511.419 3.382 40 30 KGEBRN COc1ccc(C(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2)cc1OC ZINC000016739597 553579241 /nfs/dbraw/zinc/57/92/41/553579241.db2.gz IZHBIJXEKLEEBC-CZHUJUOQSA-N 0 0 511.419 3.382 40 30 KGEBRN COc1ccc(C(=O)/N=C2/S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2)cc1OC ZINC000016739598 553579218 /nfs/dbraw/zinc/57/92/18/553579218.db2.gz IZHBIJXEKLEEBC-XJGHBGDUSA-N 0 0 511.419 3.382 40 30 KGEBRN COc1ccc(C(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2)cc1OC ZINC000016739599 553579292 /nfs/dbraw/zinc/57/92/92/553579292.db2.gz IZHBIJXEKLEEBC-GREVDYEHSA-N 0 0 511.419 3.382 40 30 KGEBRN N#Cc1ccc(N2Cc3ccccc3/C2=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1 ZINC000016740335 553579378 /nfs/dbraw/zinc/57/93/78/553579378.db2.gz KBNKPJCOWVQMEP-GNVQSUKOSA-N 0 0 504.543 3.325 40 30 KGEBRN COc1ccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Br)c2)cc1OC ZINC000016740633 553579398 /nfs/dbraw/zinc/57/93/98/553579398.db2.gz UVHYNGLAFMEHFO-KLQLYEPUSA-N 0 0 511.419 3.382 40 30 KGEBRN COc1ccc(C(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Br)c2)cc1OC ZINC000016740634 553579392 /nfs/dbraw/zinc/57/93/92/553579392.db2.gz UVHYNGLAFMEHFO-XMVKNADUSA-N 0 0 511.419 3.382 40 30 KGEBRN COc1ccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Br)c2)cc1OC ZINC000016740635 553579393 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/nfs/dbraw/zinc/60/36/02/553603602.db2.gz RRLYZBQEEXDJMZ-UHFFFAOYSA-N 0 0 513.533 3.137 40 30 KGEBRN COc1cc(C=NNC(=N)S[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC ZINC000018119556 553605108 /nfs/dbraw/zinc/60/51/08/553605108.db2.gz SUMGERYKINABBS-SCWWFSKWSA-N 0 0 521.393 3.398 40 30 KGEBRN CC(C)N(C(=O)C12C3[C@@H]4C5(C#N)C([C@]1(I)[C@@H]35)[C@@]42I)C(C)C ZINC000018212669 553610761 /nfs/dbraw/zinc/61/07/61/553610761.db2.gz ZQAYMOXEXYPXDC-VBTAXUCQSA-N 0 0 508.141 3.009 40 30 KGEBRN CC(=NNc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)[nH]1)c1ccccc1 ZINC000020159905 553600265 /nfs/dbraw/zinc/60/02/65/553600265.db2.gz QYZVTGAWNNRZSR-MFKUBSTISA-N 0 0 501.638 3.448 40 30 KGEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000020190379 553605245 /nfs/dbraw/zinc/60/52/45/553605245.db2.gz UYGAZPPEHWFLQS-JBZDTAIVSA-N 0 0 519.616 3.319 40 30 KGEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000020190498 553605646 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1060055001 /nfs/dbraw/zinc/05/50/01/1060055001.db2.gz DRCBURZLJRBAPU-XPCGLTFESA-N 0 0 506.580 3.003 40 30 KGEBRN CSc1ncnc2c1ncn2CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000029132188 553844341 /nfs/dbraw/zinc/84/43/41/553844341.db2.gz OEKQHFGELGITAE-WXMJQGPPSA-N 0 0 510.660 3.351 40 30 KGEBRN C=CCN(CC=C)CC1=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)[C@@H](COC)OC1=O ZINC000029134545 553844690 /nfs/dbraw/zinc/84/46/90/553844690.db2.gz QIUASFSNWYMDFS-NILGECQDSA-N 0 0 525.598 3.135 40 30 investigational KGEBRN CCCOc1c(I)cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc1OC ZINC000032109583 553863219 /nfs/dbraw/zinc/86/32/19/553863219.db2.gz SPSYYEHFWJFBJV-KSEXSDGBSA-N 0 0 515.327 3.300 40 30 KGEBRN CN(/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000032124910 553866016 /nfs/dbraw/zinc/86/60/16/553866016.db2.gz WLRBVLKGCQPAHU-ULJHMMPZSA-N 0 0 500.629 3.315 40 30 KGEBRN COCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502674 553867505 /nfs/dbraw/zinc/86/75/05/553867505.db2.gz WRMJJZIVZMIRBT-WRBPGETISA-N 0 0 513.685 3.394 40 30 KGEBRN COCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502677 553867609 /nfs/dbraw/zinc/86/76/09/553867609.db2.gz WRMJJZIVZMIRBT-SJPQPCSQSA-N 0 0 513.685 3.394 40 30 KGEBRN COCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502679 553867643 /nfs/dbraw/zinc/86/76/43/553867643.db2.gz WRMJJZIVZMIRBT-ZLRXHDJFSA-N 0 0 513.685 3.394 40 30 KGEBRN COCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502680 553867591 /nfs/dbraw/zinc/86/75/91/553867591.db2.gz WRMJJZIVZMIRBT-XUDGMRMMSA-N 0 0 513.685 3.394 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)c(OC)cc2OC)cc1 ZINC000032505780 553867490 /nfs/dbraw/zinc/86/74/90/553867490.db2.gz JHKRWQVWYRCAMY-AFNQKOGSSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)c(OC)cc2OC)cc1 ZINC000032505782 553867900 /nfs/dbraw/zinc/86/79/00/553867900.db2.gz JHKRWQVWYRCAMY-LBINKXCOSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)c(OC)cc2OC)cc1 ZINC000032505783 553867939 /nfs/dbraw/zinc/86/79/39/553867939.db2.gz JHKRWQVWYRCAMY-QSXARVNPSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)c(OC)cc2OC)cc1 ZINC000032505785 553867988 /nfs/dbraw/zinc/86/79/88/553867988.db2.gz JHKRWQVWYRCAMY-RPPHORKFSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)c(OC)cc1OC ZINC000032505922 553867946 /nfs/dbraw/zinc/86/79/46/553867946.db2.gz YKLMINCRCLJXQZ-UICPANBMSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)c(OC)cc1OC ZINC000032505924 553867968 /nfs/dbraw/zinc/86/79/68/553867968.db2.gz YKLMINCRCLJXQZ-DYEHFMOHSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)c(OC)cc1OC ZINC000032505926 553867880 /nfs/dbraw/zinc/86/78/80/553867880.db2.gz YKLMINCRCLJXQZ-ORYFHMHCSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)c(OC)cc1OC ZINC000032505928 553867950 /nfs/dbraw/zinc/86/79/50/553867950.db2.gz YKLMINCRCLJXQZ-IFGCWSJYSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)cc1 ZINC000032506463 553868141 /nfs/dbraw/zinc/86/81/41/553868141.db2.gz UZZBQMYYHIDZFR-QVYPKILJSA-N 0 0 513.410 3.441 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)cc1 ZINC000032506464 553868158 /nfs/dbraw/zinc/86/81/58/553868158.db2.gz UZZBQMYYHIDZFR-PKBLUPHSSA-N 0 0 513.410 3.441 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2F)cc1 ZINC000032506466 553868097 /nfs/dbraw/zinc/86/80/97/553868097.db2.gz UZZBQMYYHIDZFR-DZNXQGIDSA-N 0 0 513.410 3.441 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2F)cc1 ZINC000032506468 553868083 /nfs/dbraw/zinc/86/80/83/553868083.db2.gz UZZBQMYYHIDZFR-OLRZEJHZSA-N 0 0 513.410 3.441 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F ZINC000032506511 553868139 /nfs/dbraw/zinc/86/81/39/553868139.db2.gz ZYNTYTKLQAWXON-RLKXQLGISA-N 0 0 513.410 3.441 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F ZINC000032506513 553868122 /nfs/dbraw/zinc/86/81/22/553868122.db2.gz ZYNTYTKLQAWXON-UECIEQQWSA-N 0 0 513.410 3.441 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F ZINC000032506514 553868109 /nfs/dbraw/zinc/86/81/09/553868109.db2.gz ZYNTYTKLQAWXON-ZAKLOSRSSA-N 0 0 513.410 3.441 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F ZINC000032506515 553868117 /nfs/dbraw/zinc/86/81/17/553868117.db2.gz ZYNTYTKLQAWXON-VLWKVARASA-N 0 0 513.410 3.441 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000032507541 553868486 /nfs/dbraw/zinc/86/84/86/553868486.db2.gz QAOFHWPYXMMMQV-XFPTVMCVSA-N 0 0 500.520 3.438 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000032507542 553868389 /nfs/dbraw/zinc/86/83/89/553868389.db2.gz QAOFHWPYXMMMQV-JKNLUAKBSA-N 0 0 500.520 3.438 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000032507543 553868439 /nfs/dbraw/zinc/86/84/39/553868439.db2.gz QAOFHWPYXMMMQV-GAMBYUGMSA-N 0 0 500.520 3.438 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000032507544 553868405 /nfs/dbraw/zinc/86/84/05/553868405.db2.gz QAOFHWPYXMMMQV-SUCZBDQYSA-N 0 0 500.520 3.438 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000032507585 553868455 /nfs/dbraw/zinc/86/84/55/553868455.db2.gz RFLRKUFMWVQKJB-WBPKODPUSA-N 0 0 500.520 3.438 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000032507586 553868472 /nfs/dbraw/zinc/86/84/72/553868472.db2.gz RFLRKUFMWVQKJB-VXOYVHGRSA-N 0 0 500.520 3.438 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000032507587 553868392 /nfs/dbraw/zinc/86/83/92/553868392.db2.gz RFLRKUFMWVQKJB-PLVXAOEYSA-N 0 0 500.520 3.438 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000032507588 553868489 /nfs/dbraw/zinc/86/84/89/553868489.db2.gz RFLRKUFMWVQKJB-SBFKBJCNSA-N 0 0 500.520 3.438 40 30 KGEBRN COc1ccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000032507717 553868678 /nfs/dbraw/zinc/86/86/78/553868678.db2.gz BVCKACAHFGCYKD-IFGCWSJYSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000032507718 553868637 /nfs/dbraw/zinc/86/86/37/553868637.db2.gz BVCKACAHFGCYKD-DYEHFMOHSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000032507719 553868668 /nfs/dbraw/zinc/86/86/68/553868668.db2.gz BVCKACAHFGCYKD-ORYFHMHCSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000032507720 553868684 /nfs/dbraw/zinc/86/86/84/553868684.db2.gz BVCKACAHFGCYKD-UICPANBMSA-N 0 0 511.021 3.210 40 30 KGEBRN O=C(Cc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000032508193 553868906 /nfs/dbraw/zinc/86/89/06/553868906.db2.gz CQIXIQUORLIMEG-GFGLJSBJSA-N 0 0 512.394 3.135 40 30 KGEBRN O=C(Cc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000032508194 553868993 /nfs/dbraw/zinc/86/89/93/553868993.db2.gz CQIXIQUORLIMEG-SFEXGQDGSA-N 0 0 512.394 3.135 40 30 KGEBRN O=C(Cc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000032508195 553868887 /nfs/dbraw/zinc/86/88/87/553868887.db2.gz CQIXIQUORLIMEG-JROKQLJMSA-N 0 0 512.394 3.135 40 30 KGEBRN O=C(Cc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000032508196 553868929 /nfs/dbraw/zinc/86/89/29/553868929.db2.gz CQIXIQUORLIMEG-OOADYSHXSA-N 0 0 512.394 3.135 40 30 KGEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000032634460 553870522 /nfs/dbraw/zinc/87/05/22/553870522.db2.gz GPLKCVRXWFRPGQ-PNZMNKQSSA-N 0 0 529.684 3.420 40 30 KGEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000032634461 553870552 /nfs/dbraw/zinc/87/05/52/553870552.db2.gz GPLKCVRXWFRPGQ-QKGRYLSMSA-N 0 0 529.684 3.420 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F ZINC000032634656 553870830 /nfs/dbraw/zinc/87/08/30/553870830.db2.gz PHHUPXWAKQPGEF-LZCHNDSPSA-N 0 0 507.556 3.222 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F ZINC000032634657 553870850 /nfs/dbraw/zinc/87/08/50/553870850.db2.gz PHHUPXWAKQPGEF-ONEIODHISA-N 0 0 507.556 3.222 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F ZINC000032634658 553870833 /nfs/dbraw/zinc/87/08/33/553870833.db2.gz PHHUPXWAKQPGEF-QDTLIHHDSA-N 0 0 507.556 3.222 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F ZINC000032634659 553870782 /nfs/dbraw/zinc/87/07/82/553870782.db2.gz PHHUPXWAKQPGEF-AFSIVLORSA-N 0 0 507.556 3.222 40 30 KGEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000032634897 553870816 /nfs/dbraw/zinc/87/08/16/553870816.db2.gz FFUQTTDCNYKDLA-YNZLMHITSA-N 0 0 515.657 3.424 40 30 KGEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000032634898 553870865 /nfs/dbraw/zinc/87/08/65/553870865.db2.gz FFUQTTDCNYKDLA-XKNVRWEVSA-N 0 0 515.657 3.424 40 30 KGEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000032634899 553870787 /nfs/dbraw/zinc/87/07/87/553870787.db2.gz FFUQTTDCNYKDLA-CFWXUEKCSA-N 0 0 515.657 3.424 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 ZINC000032634964 553871130 /nfs/dbraw/zinc/87/11/30/553871130.db2.gz ZIBBVASXPMXTNI-LZCHNDSPSA-N 0 0 507.556 3.222 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 ZINC000032634965 553871150 /nfs/dbraw/zinc/87/11/50/553871150.db2.gz ZIBBVASXPMXTNI-ONEIODHISA-N 0 0 507.556 3.222 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000032634966 553871159 /nfs/dbraw/zinc/87/11/59/553871159.db2.gz ZIBBVASXPMXTNI-QDTLIHHDSA-N 0 0 507.556 3.222 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000032634967 553871132 /nfs/dbraw/zinc/87/11/32/553871132.db2.gz ZIBBVASXPMXTNI-AFSIVLORSA-N 0 0 507.556 3.222 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000032639204 553871320 /nfs/dbraw/zinc/87/13/20/553871320.db2.gz GCAZBTNEQYZPGV-LZCHNDSPSA-N 0 0 523.555 3.101 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000032639205 553871279 /nfs/dbraw/zinc/87/12/79/553871279.db2.gz GCAZBTNEQYZPGV-ONEIODHISA-N 0 0 523.555 3.101 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000032639206 553871362 /nfs/dbraw/zinc/87/13/62/553871362.db2.gz GCAZBTNEQYZPGV-QDTLIHHDSA-N 0 0 523.555 3.101 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000032639207 553871316 /nfs/dbraw/zinc/87/13/16/553871316.db2.gz GCAZBTNEQYZPGV-AFSIVLORSA-N 0 0 523.555 3.101 40 30 KGEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000033357378 553948116 /nfs/dbraw/zinc/94/81/16/553948116.db2.gz QDMRNONJSCYPEJ-VTOVKPRRSA-N 0 0 532.571 3.233 40 30 KGEBRN Clc1ccccc1COc1cccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 ZINC000033396267 553958727 /nfs/dbraw/zinc/95/87/27/553958727.db2.gz GAPZATJXLXQHMD-PKAZHMFMSA-N 0 0 509.998 3.223 40 30 KGEBRN CCOc1ccc(-n2c(=O)/c(=C/c3ccc(OC(F)F)cc3)s/c2=C(\C#N)C(=O)N2CCCC2)cc1 ZINC000033410089 553959211 /nfs/dbraw/zinc/95/92/11/553959211.db2.gz KRBVKOOTWNQYCA-YCYAQFAISA-N 0 0 511.550 3.025 40 30 KGEBRN CCOc1ccc(-n2c(=O)/c(=C/c3ccc(C(=O)OC)cc3)s/c2=C(\C#N)C(=O)c2ccccc2)cc1 ZINC000033410107 553959214 /nfs/dbraw/zinc/95/92/14/553959214.db2.gz YNPLVYLASYJFLM-GZVQDSBMSA-N 0 0 510.571 3.470 40 30 KGEBRN N#C/C(c1nnc2n1CCCCC2)=c1\s/c(=C/c2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1 ZINC000033603017 553964077 /nfs/dbraw/zinc/96/40/77/553964077.db2.gz DKZWZAFHIIZIJT-LQPBJRFZSA-N 0 0 505.550 3.370 40 30 KGEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033864435 553975552 /nfs/dbraw/zinc/97/55/52/553975552.db2.gz NBFBHNOXFANVPK-IBGZPJMESA-N 0 0 501.996 3.320 40 30 KGEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033864436 553975418 /nfs/dbraw/zinc/97/54/18/553975418.db2.gz NBFBHNOXFANVPK-LJQANCHMSA-N 0 0 501.996 3.320 40 30 KGEBRN Brc1cc2c(cc1CN=Nc1nc(NCc3ccccc3)nc(N3CCOCC3)n1)OCO2 ZINC000033921838 553976566 /nfs/dbraw/zinc/97/65/66/553976566.db2.gz ODBWVOYCXCISMV-DHRITJCHSA-N 0 0 512.368 3.258 40 30 KGEBRN C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@@]21OC(=O)[C@H](C)CC ZINC000034112284 291772708 /nfs/dbraw/zinc/77/27/08/291772708.db2.gz AKFIXMYXISUTAF-BWANMSGQSA-N 0 0 530.658 3.044 40 30 biogenic,in-vitro KGEBRN C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@@]21OC(=O)[C@@H](C)CC ZINC000034112286 553980915 /nfs/dbraw/zinc/98/09/15/553980915.db2.gz AKFIXMYXISUTAF-USVVIWPWSA-N 0 0 530.658 3.044 40 30 biogenic,in-vitro KGEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000034378454 553981518 /nfs/dbraw/zinc/98/15/18/553981518.db2.gz QBNXPXDPEWFLRU-LBKCIFGTSA-N 0 0 503.624 3.429 40 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/nfs/dbraw/zinc/37/97/25/554379725.db2.gz HGCTZRLOLJGKIG-UMMGRLDJSA-N 0 0 500.099 3.133 40 30 KGEBRN COc1ccc(C(=O)OCCN(/N=C/c2ccc([N+](=O)[O-])cc2)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000059417235 554393480 /nfs/dbraw/zinc/39/34/80/554393480.db2.gz RCOYKIGEPXCMJO-PCLIKHOPSA-N 0 0 508.512 3.245 40 30 KGEBRN COc1ccc(/C=N/N(CCOC(=O)c2cccc([N+](=O)[O-])c2)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000059417239 193897041 /nfs/dbraw/zinc/89/70/41/193897041.db2.gz CNCSVHRPALBKCK-PCLIKHOPSA-N 0 0 508.512 3.245 40 30 KGEBRN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1F ZINC000059418313 554394116 /nfs/dbraw/zinc/39/41/16/554394116.db2.gz FUNQQSXZWGTOON-OGLMXYFKSA-N 0 0 507.570 3.481 40 30 KGEBRN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc(F)cc1 ZINC000059418314 193897533 /nfs/dbraw/zinc/89/75/33/193897533.db2.gz QCNUJTBXEKQETA-OGLMXYFKSA-N 0 0 507.570 3.481 40 30 KGEBRN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCOCC4)n3)o2)c1 ZINC000059418366 554394047 /nfs/dbraw/zinc/39/40/47/554394047.db2.gz PVYRTFFNFLOOOL-MFKUBSTISA-N 0 0 512.958 3.966 40 30 KGEBRN CCOC(=O)c1ccc(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCOCC4)n3)o2)cc1 ZINC000059418372 554394073 /nfs/dbraw/zinc/39/40/73/554394073.db2.gz BSMCOEMVNFPTSM-OVVQPSECSA-N 0 0 505.579 3.581 40 30 KGEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000059418385 554394425 /nfs/dbraw/zinc/39/44/25/554394425.db2.gz UAELIXOAKRBRAP-LWUPDDLQSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000059418386 554394437 /nfs/dbraw/zinc/39/44/37/554394437.db2.gz UAELIXOAKRBRAP-GJFKPFFXSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)c1 ZINC000059418387 554394430 /nfs/dbraw/zinc/39/44/30/554394430.db2.gz JKRFXMDMUHWLCL-LWUPDDLQSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)c1 ZINC000059418388 193897725 /nfs/dbraw/zinc/89/77/25/193897725.db2.gz JKRFXMDMUHWLCL-GJFKPFFXSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)cc1OC)C(C(=O)OCC)=C(C)N=2 ZINC000059418389 554394413 /nfs/dbraw/zinc/39/44/13/554394413.db2.gz HOIUZMIJMHGMSK-LWUPDDLQSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)cc1OC)C(C(=O)OCC)=C(C)N=2 ZINC000059418390 554394475 /nfs/dbraw/zinc/39/44/75/554394475.db2.gz HOIUZMIJMHGMSK-GJFKPFFXSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)c1 ZINC000059418436 554394453 /nfs/dbraw/zinc/39/44/53/554394453.db2.gz ZZYPQBQIBCUQCZ-LWUPDDLQSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)c1 ZINC000059418437 554394479 /nfs/dbraw/zinc/39/44/79/554394479.db2.gz ZZYPQBQIBCUQCZ-GJFKPFFXSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)ccc1OC)C(C(=O)OCC)=C(C)N=2 ZINC000059418438 554394476 /nfs/dbraw/zinc/39/44/76/554394476.db2.gz CBBPYMHFKJYECA-LWUPDDLQSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)ccc1OC)C(C(=O)OCC)=C(C)N=2 ZINC000059418439 554394458 /nfs/dbraw/zinc/39/44/58/554394458.db2.gz CBBPYMHFKJYECA-GJFKPFFXSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c1 ZINC000059418460 554394592 /nfs/dbraw/zinc/39/45/92/554394592.db2.gz RVUXJZBIZMGORV-LWUPDDLQSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c1 ZINC000059418461 554394625 /nfs/dbraw/zinc/39/46/25/554394625.db2.gz RVUXJZBIZMGORV-GJFKPFFXSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c1 ZINC000059418526 193898198 /nfs/dbraw/zinc/89/81/98/193898198.db2.gz QGKDMJCTLWRBDE-IVNHJSRESA-N 0 0 503.624 3.429 40 30 KGEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c1 ZINC000059418527 554395059 /nfs/dbraw/zinc/39/50/59/554395059.db2.gz QGKDMJCTLWRBDE-PBMMVTTKSA-N 0 0 503.624 3.429 40 30 KGEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(N(C)C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000059418528 554394964 /nfs/dbraw/zinc/39/49/64/554394964.db2.gz QEBGQGRKYHBENP-IVNHJSRESA-N 0 0 503.624 3.429 40 30 KGEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(N(C)C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000059418529 554395019 /nfs/dbraw/zinc/39/50/19/554395019.db2.gz QEBGQGRKYHBENP-PBMMVTTKSA-N 0 0 503.624 3.429 40 30 KGEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)c1 ZINC000059418588 554394939 /nfs/dbraw/zinc/39/49/39/554394939.db2.gz JOSGBUWMDKVYIY-RWTNITNYSA-N 0 0 504.564 3.092 40 30 KGEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)c1 ZINC000059418589 554395023 /nfs/dbraw/zinc/39/50/23/554395023.db2.gz JOSGBUWMDKVYIY-MFUBYVTQSA-N 0 0 504.564 3.092 40 30 KGEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc3c(c1)OCO3)C(C(=O)OCC)=C(C)N=2 ZINC000059418591 554395014 /nfs/dbraw/zinc/39/50/14/554395014.db2.gz QJSZYLBSVSPIRC-IGSWSUAKSA-N 0 0 504.564 3.092 40 30 KGEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc3c(c1)OCO3)C(C(=O)OCC)=C(C)N=2 ZINC000059418593 193898513 /nfs/dbraw/zinc/89/85/13/193898513.db2.gz QJSZYLBSVSPIRC-YMSBRDKKSA-N 0 0 504.564 3.092 40 30 KGEBRN COc1ccc(/C=N/N(CCOC(=O)c2ccc([N+](=O)[O-])cc2)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000059488040 554398210 /nfs/dbraw/zinc/39/82/10/554398210.db2.gz PYKPXKZIAGNMTR-PCLIKHOPSA-N 0 0 508.512 3.245 40 30 KGEBRN COc1ccccc1/C=N/N(CCOC(=O)c1ccc([N+](=O)[O-])cc1)C1=NS(=O)(=O)c2ccccc21 ZINC000059488060 554398187 /nfs/dbraw/zinc/39/81/87/554398187.db2.gz LZDMQQUAICCNKM-PCLIKHOPSA-N 0 0 508.512 3.245 40 30 KGEBRN CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 ZINC000059490075 554399049 /nfs/dbraw/zinc/39/90/49/554399049.db2.gz VCMGZSCBGGNDCO-CIAFOILYSA-N 0 0 505.538 3.084 40 30 KGEBRN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1 ZINC000059514483 554401571 /nfs/dbraw/zinc/40/15/71/554401571.db2.gz CXVYHKNOXCWBLM-TURZUDJPSA-N 0 0 517.590 3.372 40 30 KGEBRN O=[N+]([O-])c1cc(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCOCC4)n3)o2)ccc1Cl ZINC000059514517 554401554 /nfs/dbraw/zinc/40/15/54/554401554.db2.gz KMEOJRTUPKMYAO-MFKUBSTISA-N 0 0 512.958 3.966 40 30 KGEBRN CCN(CC)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccccc1O ZINC000059523106 554404409 /nfs/dbraw/zinc/40/44/09/554404409.db2.gz RRILNNFBXDRIEB-WEKPXBEKSA-N 0 0 503.581 3.158 40 30 KGEBRN CCN(CC)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccccc1O ZINC000059523107 554404226 /nfs/dbraw/zinc/40/42/26/554404226.db2.gz RRILNNFBXDRIEB-HSJQUHBMSA-N 0 0 503.581 3.158 40 30 KGEBRN NC(CC(N)=[NH+][N-]c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-])=[NH+][N-]c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000059662121 554420518 /nfs/dbraw/zinc/42/05/18/554420518.db2.gz YNXAUQBGFXZBGO-UHFFFAOYSA-N 0 0 531.229 3.085 40 30 KGEBRN C=CCN1C(=O)[C@@]2(SC1=S)[C@H](c1cccc(OC)c1)CN(C)[C@]21c2cc(OC)ccc2N(C)C1=O ZINC000067189433 554529848 /nfs/dbraw/zinc/52/98/48/554529848.db2.gz NVTNLJZKLBFXCY-XZZVZQAVSA-N 0 0 509.653 3.390 40 30 KGEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000067283934 554530250 /nfs/dbraw/zinc/53/02/50/554530250.db2.gz QDMRNONJSCYPEJ-SIJSFFJVSA-N 0 0 532.571 3.233 40 30 KGEBRN N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccccc3CN3CCOCC3)c(=O)n1C2 ZINC000067870567 554533806 /nfs/dbraw/zinc/53/38/06/554533806.db2.gz VJSOKWXVYQFTEK-XUZZJYLKSA-N 0 0 530.650 3.027 40 30 biogenic,in-vitro KGEBRN COCCN(CCOC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccc(C#N)cc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898897 554535252 /nfs/dbraw/zinc/53/52/52/554535252.db2.gz XLGYGSNQFXFHTK-DQZWIMGWSA-N 0 0 513.679 3.237 40 30 biogenic,in-vitro KGEBRN COCCN(CCOC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccc(C#N)cc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898898 291786524 /nfs/dbraw/zinc/78/65/24/291786524.db2.gz XLGYGSNQFXFHTK-AZCBIJCDSA-N 0 0 513.679 3.237 40 30 biogenic,in-vitro KGEBRN C=C1[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]2(OC(C)=O)C(=O)C(C)=CCC(C)(C)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@H]1OC(C)=O ZINC000067902614 554535533 /nfs/dbraw/zinc/53/55/33/554535533.db2.gz KLSSFMQBLMDBRQ-QIXCFAGNSA-N 0 0 692.755 3.310 40 30 biogenic,in-vitro KGEBRN C=C1[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]2(OC(C)=O)C(=O)C(C)=CCC(C)(C)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@H]1OC(C)=O ZINC000067902616 554535726 /nfs/dbraw/zinc/53/57/26/554535726.db2.gz KLSSFMQBLMDBRQ-UENTVMSKSA-N 0 0 692.755 3.310 40 30 biogenic,in-vitro KGEBRN C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)[C@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@]12C ZINC000067903127 291773761 /nfs/dbraw/zinc/77/37/61/291773761.db2.gz LIFWJOZSNQRGRS-VHWJZOJZSA-N 0 0 560.640 3.138 40 30 biogenic,in-vitro KGEBRN C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)[C@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C ZINC000067903130 291773741 /nfs/dbraw/zinc/77/37/41/291773741.db2.gz LIFWJOZSNQRGRS-SPHMXSRJSA-N 0 0 560.640 3.138 40 30 biogenic,in-vitro KGEBRN CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(OC(C)=O)C(=O)C2=CN1[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000067912816 554537595 /nfs/dbraw/zinc/53/75/95/554537595.db2.gz PHSKBYXSIKEPBQ-VPBNLYSASA-N 0 0 547.052 3.301 40 30 biogenic,in-vitro KGEBRN CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(=O)CCCCC ZINC000067913933 291779992 /nfs/dbraw/zinc/77/99/92/291779992.db2.gz YTRXIFNFFGXRFV-JBAQQFLCSA-N 0 0 648.787 3.262 40 30 biogenic,in-vitro KGEBRN C=C1C(=O)[C@]23[C@H](OC(C)=O)[C@@]1(OC(C)=O)C[C@@H](OC(C)=O)[C@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000068602184 553592418 /nfs/dbraw/zinc/59/24/18/553592418.db2.gz YOYFIXDRWBRSOW-SJJDAVSASA-N 0 0 576.639 3.007 40 30 KGEBRN C=C1C(=O)[C@]23[C@H](OC(C)=O)[C@@]1(OC(C)=O)C[C@@H](OC(C)=O)[C@@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000068602187 553592405 /nfs/dbraw/zinc/59/24/05/553592405.db2.gz YOYFIXDRWBRSOW-DODCCXGYSA-N 0 0 576.639 3.007 40 30 KGEBRN C=C1C(=O)[C@]23[C@H](OC(C)=O)[C@@]1(OC(C)=O)C[C@H](OC(C)=O)[C@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000068602192 553592347 /nfs/dbraw/zinc/59/23/47/553592347.db2.gz YOYFIXDRWBRSOW-QAAFJCSASA-N 0 0 576.639 3.007 40 30 KGEBRN C=C1C(=O)[C@]23[C@H](OC(C)=O)[C@@]1(OC(C)=O)C[C@H](OC(C)=O)[C@@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000068602195 553592293 /nfs/dbraw/zinc/59/22/93/553592293.db2.gz YOYFIXDRWBRSOW-ZQBJOWDYSA-N 0 0 576.639 3.007 40 30 KGEBRN C=C1C(=O)[C@]23[C@@H](OC(C)=O)[C@@]1(OC(C)=O)C[C@H](OC(C)=O)[C@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000068602257 553592649 /nfs/dbraw/zinc/59/26/49/553592649.db2.gz YOYFIXDRWBRSOW-QBRJADPFSA-N 0 0 576.639 3.007 40 30 KGEBRN C=C1C(=O)[C@]23[C@@H](OC(C)=O)[C@@]1(OC(C)=O)C[C@H](OC(C)=O)[C@@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000068602261 553592658 /nfs/dbraw/zinc/59/26/58/553592658.db2.gz YOYFIXDRWBRSOW-DNNIMCAESA-N 0 0 576.639 3.007 40 30 KGEBRN C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@@]21OC(=O)[C@H](C)CC ZINC000070455081 553593934 /nfs/dbraw/zinc/59/39/34/553593934.db2.gz AKFIXMYXISUTAF-RHHUMNLISA-N 0 0 530.658 3.044 40 30 biogenic,in-vitro KGEBRN CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1OC(C)=O ZINC000070680413 553604366 /nfs/dbraw/zinc/60/43/66/553604366.db2.gz FPIVCKLVSVCJHW-HMMCHZDHSA-N 0 0 590.710 3.004 40 30 biogenic KGEBRN CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1OC(C)=O ZINC000070680418 553604312 /nfs/dbraw/zinc/60/43/12/553604312.db2.gz FPIVCKLVSVCJHW-DUQDKVLXSA-N 0 0 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Cc1nn(-c2ccccc2)c(Cl)c1/C=N/OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000097980111 553985656 /nfs/dbraw/zinc/98/56/56/553985656.db2.gz UZYNRQSISQKPRB-CVKSISIWSA-N 0 0 532.022 3.153 40 30 KGEBRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(C=NNc3nc(C)cc(=O)[nH]3)cc2OC)c1 ZINC000097980688 553990412 /nfs/dbraw/zinc/99/04/12/553990412.db2.gz FOMQQDTYVFQQEL-VULFUBBASA-N 0 0 548.021 3.436 40 30 KGEBRN O=S(=O)(c1ccc(Cl)c(NC(=S)N/N=C/c2c(F)c(F)c(F)c(F)c2F)c1)N1CCOCC1 ZINC000097980873 553991000 /nfs/dbraw/zinc/99/10/00/553991000.db2.gz OSHSQNNBQRUTBE-ZNLRHDTNSA-N 0 0 528.912 3.377 40 30 KGEBRN COc1cc(/C=N/NC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc(Br)c1O ZINC000097980875 553990975 /nfs/dbraw/zinc/99/09/75/553990975.db2.gz IPPMLTGDFXYELB-SSDVNMTOSA-N 0 0 563.883 3.158 40 30 KGEBRN COc1cc(/C=N/NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OC(=O)c1cccs1 ZINC000097980887 553990962 /nfs/dbraw/zinc/99/09/62/553990962.db2.gz BEULBXHRFIOKHB-PCLIKHOPSA-N 0 0 560.679 3.317 40 30 KGEBRN Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097980889 553991018 /nfs/dbraw/zinc/99/10/18/553991018.db2.gz JXBSKXMDHVKSIH-ZXVVBBHZSA-N 0 0 553.714 3.122 40 30 KGEBRN CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c1 ZINC000097980892 553990995 /nfs/dbraw/zinc/99/09/95/553990995.db2.gz BHPIAYOWIMUXQK-LFVJCYFKSA-N 0 0 530.701 3.218 40 30 KGEBRN C=C(C)CNC(=S)N/N=C/c1cc(C)n(-c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C ZINC000097980894 553991015 /nfs/dbraw/zinc/99/10/15/553991015.db2.gz IRRZBZPWLWHLNY-MTDXEUNCSA-N 0 0 544.747 3.089 40 30 KGEBRN Cc1cccc(-n2c(=O)/c(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)s/c2=C(\C#N)C(=O)N2CCCC2)c1 ZINC000097981709 553996566 /nfs/dbraw/zinc/99/65/66/553996566.db2.gz QMGOBTKFHGBOBS-FJFJXMJDSA-N 0 0 543.649 3.231 40 30 KGEBRN N#C/C(C(N)=O)=c1/s/c(=C\c2cn(-c3ccccc3)nc2-c2cccs2)c(=O)n1-c1ccc(Cl)cc1 ZINC000097981763 553996919 /nfs/dbraw/zinc/99/69/19/553996919.db2.gz RXEUAAIIWCWBNZ-DCECRPPISA-N 0 0 530.034 3.455 40 30 KGEBRN COC(=O)c1ccccc1-c1ccc(/C=c2\s/c(=C(/C#N)C(N)=O)n(-c3ccc(Cl)cc3Cl)c2=O)o1 ZINC000097981786 553996932 /nfs/dbraw/zinc/99/69/32/553996932.db2.gz GDSJRBSODXBQDB-PVYSDWERSA-N 0 0 540.384 3.241 40 30 KGEBRN CCCc1ccc(C(=O)/C(C#N)=c2\s/c(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)c(=O)n2CCCOC)cc1 ZINC000097981812 553997268 /nfs/dbraw/zinc/99/72/68/553997268.db2.gz JKONEZNZVVJQSW-VJFHARHYSA-N 0 0 534.638 3.259 40 30 KGEBRN CCN(CC)S(=O)(=O)c1ccc(-c2ccc(/C=c3/s/c(=C(\C#N)C(=O)C(C)(C)C)n(C[C@@H]4CCCO4)c3=O)o2)cc1 ZINC000097981828 553997288 /nfs/dbraw/zinc/99/72/88/553997288.db2.gz KSFHIWYFOKOBMW-LMQLYACKSA-N 0 0 597.759 3.498 40 30 KGEBRN CCN(CC)S(=O)(=O)c1ccc(-c2ccc(/C=c3/s/c(=C(\C#N)C(=O)C(C)(C)C)n(C[C@H]4CCCO4)c3=O)o2)cc1 ZINC000097981829 553997285 /nfs/dbraw/zinc/99/72/85/553997285.db2.gz KSFHIWYFOKOBMW-ZHLZUZAPSA-N 0 0 597.759 3.498 40 30 KGEBRN CC(C)(C)C(=O)/C(C#N)=c1/s/c(=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 ZINC000097981830 553997249 /nfs/dbraw/zinc/99/72/49/553997249.db2.gz KMASBDKFPLCIFP-PTNRMBRSSA-N 0 0 551.650 3.056 40 30 KGEBRN COc1cc(OC)c(OC)cc1C=c1sc(=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)n(CCN2CCOCC2)c1=O ZINC000097981852 553997568 /nfs/dbraw/zinc/99/75/68/553997568.db2.gz DTDADKZVHXBHBS-IEINAAFBSA-N 0 0 619.527 3.366 40 30 KGEBRN COC(=O)c1ccccc1-c1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3F)n(CCN3CCOCC3)c2=O)o1 ZINC000097981853 553997693 /nfs/dbraw/zinc/99/76/93/553997693.db2.gz UWZQUFCEKSKRIK-ASLHCRRYSA-N 0 0 602.644 3.219 40 30 KGEBRN N#C/C(C(=O)NCCN1CCOCC1)=c1/s/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c(=O)n1-c1ccccc1F ZINC000097981930 553998163 /nfs/dbraw/zinc/99/81/63/553998163.db2.gz MJRXSOWWOROKPO-AIOSCHIVSA-N 0 0 655.155 3.496 40 30 KGEBRN CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982137 554000053 /nfs/dbraw/zinc/00/00/53/554000053.db2.gz SDTJTZPTRKISJG-AQTDBHCXSA-N 0 0 534.635 3.217 40 30 KGEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982138 554000088 /nfs/dbraw/zinc/00/00/88/554000088.db2.gz SDTJTZPTRKISJG-LQUAGZSJSA-N 0 0 534.635 3.217 40 30 KGEBRN CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982145 554000365 /nfs/dbraw/zinc/00/03/65/554000365.db2.gz XVQPBHGTTJUGOM-YMVPSHTBSA-N 0 0 548.662 3.463 40 30 KGEBRN CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982146 554000368 /nfs/dbraw/zinc/00/03/68/554000368.db2.gz XVQPBHGTTJUGOM-MCMRFMRISA-N 0 0 548.662 3.463 40 30 KGEBRN CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982151 554000354 /nfs/dbraw/zinc/00/03/54/554000354.db2.gz LYJYNUBRJZXLRD-PQHDRGKASA-N 0 0 558.682 3.280 40 30 KGEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982152 554000335 /nfs/dbraw/zinc/00/03/35/554000335.db2.gz LYJYNUBRJZXLRD-WNMDNWPKSA-N 0 0 558.682 3.280 40 30 KGEBRN COc1ccccc1NC(=O)C(=NNc1cccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1)C(C)=O ZINC000097982643 554004301 /nfs/dbraw/zinc/00/43/01/554004301.db2.gz ZVFBMINNEYWYCJ-GKPLWNPISA-N 0 0 576.635 3.289 40 30 KGEBRN COCCOC(=O)C(C#N)=NNc1ccc(OC)c(S(=O)(=O)Nc2cc(C)ccc2Br)c1 ZINC000097982655 554004321 /nfs/dbraw/zinc/00/43/21/554004321.db2.gz MGGPTZZOMZZPCA-JJIBRWJFSA-N 0 0 525.381 3.048 40 30 KGEBRN CC[C@@H]1S/C(=N/N=C/c2cccc(OS(=O)(=O)c3ccc(I)cc3)c2)NC1=O ZINC000097983690 554010981 /nfs/dbraw/zinc/01/09/81/554010981.db2.gz NIXLXVZFLDRYLL-YODDIOPGSA-N 0 0 529.381 3.390 40 30 KGEBRN Cc1cccc(/C=N/N=C2\NC(=O)[C@@H](C)S2)c1OS(=O)(=O)c1ccc(I)cc1 ZINC000097983708 554010966 /nfs/dbraw/zinc/01/09/66/554010966.db2.gz XCAAKUQDUQALHO-HMASQMOLSA-N 0 0 529.381 3.309 40 30 KGEBRN N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N/C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000097984157 554014664 /nfs/dbraw/zinc/01/46/64/554014664.db2.gz MPZVLFJMEYZPNA-MUGXBBEHSA-N 0 0 561.558 3.055 40 30 KGEBRN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1c(C)nn2c1nc(N1CCOCC1)c1ccccc12 ZINC000097984163 554014668 /nfs/dbraw/zinc/01/46/68/554014668.db2.gz BBQNQVLZUSANCM-WPWMEQJKSA-N 0 0 566.644 3.412 40 30 KGEBRN O=[N+]([O-])c1cccc(Nc2nc(N=NCc3cccc(I)c3)nc(N3CCOCC3)n2)c1 ZINC000100028453 554184187 /nfs/dbraw/zinc/18/41/87/554184187.db2.gz NHWFXWONDRLDEA-LPYMAVHISA-N 0 0 546.329 3.411 40 30 KGEBRN O=C(C=CC=C/C=C/[C@]1(O)C=C(NC(=O)C=CC=C/C=C/C2CCCCC2)C(=O)[C@H]2O[C@H]21)NC1=C(O)CCC1=O ZINC000100070722 554201362 /nfs/dbraw/zinc/20/13/62/554201362.db2.gz SSHVAUUEPNULMP-JHWDTTIQSA-N 0 0 546.620 3.234 40 30 biogenic,in-vitro KGEBRN Cc1ccc(-c2ccc(C=NN=c3nc(N4CCOCC4)[nH]c(N4CCOCC4)n3)o2)c(Br)c1 ZINC000100111930 554221787 /nfs/dbraw/zinc/22/17/87/554221787.db2.gz GVVPPGVSLIBOAE-MFKUBSTISA-N 0 0 528.411 3.322 40 30 KGEBRN C=CCn1c(=O)cc(C(=O)Nc2ccc(C(=O)OC)cc2)s/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000100155432 554232607 /nfs/dbraw/zinc/23/26/07/554232607.db2.gz HNBKJFGUQCULPE-OHYPFYFLSA-N 0 0 531.594 3.165 40 30 KGEBRN CCCC(NC[C@@H](C)NC(CCC)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100158428 554233802 /nfs/dbraw/zinc/23/38/02/554233802.db2.gz ZEQTYYKGWIBESH-GHEOQHQZSA-N 0 0 574.715 3.377 40 30 KGEBRN CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000100187496 554243376 /nfs/dbraw/zinc/24/33/76/554243376.db2.gz SJYOCBDKTKMJMD-LGUFXXKBSA-N 0 0 531.635 3.049 40 30 KGEBRN CCOc1cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1F ZINC000100226969 554253549 /nfs/dbraw/zinc/25/35/49/554253549.db2.gz GFOFTRNGLPVGOZ-RDRPBHBLSA-N 0 0 537.596 3.108 40 30 KGEBRN CCOc1cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc(F)cc1 ZINC000100228133 554254074 /nfs/dbraw/zinc/25/40/74/554254074.db2.gz SMJGBNVHVFVQRV-RDRPBHBLSA-N 0 0 537.596 3.108 40 30 KGEBRN CCOC(=O)[C@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(F)cc1 ZINC000100239172 554259682 /nfs/dbraw/zinc/25/96/82/554259682.db2.gz ALZXELPWRDIKOR-BZCFIJOYSA-N 0 0 534.606 3.066 40 30 KGEBRN CCOC(=O)[C@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(F)cc1 ZINC000100239180 554259627 /nfs/dbraw/zinc/25/96/27/554259627.db2.gz ALZXELPWRDIKOR-SCSZCGTBSA-N 0 0 534.606 3.066 40 30 KGEBRN CN(C)c1ccc(/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000100252017 554262991 /nfs/dbraw/zinc/26/29/91/554262991.db2.gz SVXARYCIWHZWBN-XIEYBQDHSA-N 0 0 501.609 3.423 40 30 KGEBRN CN(C)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000100252207 554263094 /nfs/dbraw/zinc/26/30/94/554263094.db2.gz SGPCHXRCBPEXML-XIEYBQDHSA-N 0 0 501.609 3.423 40 30 KGEBRN CN(C)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000100252213 554263174 /nfs/dbraw/zinc/26/31/74/554263174.db2.gz NOPHOISYHLHHJG-XIEYBQDHSA-N 0 0 501.609 3.423 40 30 KGEBRN CN(C)S(=O)(=O)c1cc(/N=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)ccc1N1CCCCC1 ZINC000100257735 554264724 /nfs/dbraw/zinc/26/47/24/554264724.db2.gz WJQCLUMPYYDYCB-LGUFXXKBSA-N 0 0 514.652 3.338 40 30 KGEBRN CN(C)S(=O)(=O)c1cc(/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1N1CCCCC1 ZINC000100257743 554264707 /nfs/dbraw/zinc/26/47/07/554264707.db2.gz WBUAMVGBASFBFZ-XIEYBQDHSA-N 0 0 501.609 3.423 40 30 KGEBRN CN(C)S(=O)(=O)c1cc(/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1N1CCCCC1 ZINC000100257760 554264984 /nfs/dbraw/zinc/26/49/84/554264984.db2.gz ODZWAIMEFMCDMV-XIEYBQDHSA-N 0 0 501.609 3.423 40 30 KGEBRN CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 ZINC000100257803 554265004 /nfs/dbraw/zinc/26/50/04/554265004.db2.gz QSOCCJLAMQOVPS-LQKURTRISA-N 0 0 611.637 3.250 40 30 KGEBRN CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000100270077 554268834 /nfs/dbraw/zinc/26/88/34/554268834.db2.gz KVGTXYSCGKMBDZ-SGWCAAJKSA-N 0 0 556.689 3.108 40 30 KGEBRN CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000100270090 554268874 /nfs/dbraw/zinc/26/88/74/554268874.db2.gz XSFICTKBRHNBMP-SGWCAAJKSA-N 0 0 556.689 3.108 40 30 KGEBRN COc1ccccc1OCCOc1ccccc1C=NN=c1cc(N2CCOCC2)[nH]c(N2CCOCC2)n1 ZINC000100271797 554270028 /nfs/dbraw/zinc/27/00/28/554270028.db2.gz QYKKRZNANUEREN-XHLNEMQHSA-N 0 0 534.617 3.062 40 30 KGEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n32)cc1OCC ZINC000100305818 554294100 /nfs/dbraw/zinc/29/41/00/554294100.db2.gz VBYMZYJCSLNVDI-UXAZKMGBSA-N 0 0 579.675 3.191 40 30 KGEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n32)cc1OCC ZINC000100305823 554294153 /nfs/dbraw/zinc/29/41/53/554294153.db2.gz VBYMZYJCSLNVDI-HCWVEKLQSA-N 0 0 579.675 3.191 40 30 KGEBRN COc1ccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1OCc1ccc(Cl)cc1 ZINC000100312826 554301539 /nfs/dbraw/zinc/30/15/39/554301539.db2.gz NQUBUVJQKDOUIB-OGLMXYFKSA-N 0 0 540.024 3.232 40 30 KGEBRN CCOC(=O)COc1c(I)cc(CN=Nc2nc(C)cc(COC)c2C#N)cc1OC ZINC000100318183 554303609 /nfs/dbraw/zinc/30/36/09/554303609.db2.gz JDUNGBUGZVHTGG-VROXFSQNSA-N 0 0 538.342 3.409 40 30 KGEBRN Cc1ccc(Sc2ccc(C=NN=c3nc(N4CCOCC4)[nH]c(N4CCOCC4)n3)cc2[N+](=O)[O-])cc1 ZINC000100369187 193905291 /nfs/dbraw/zinc/90/52/91/193905291.db2.gz URQFJKILBGIPIS-ONUIUJJFSA-N 0 0 536.618 3.359 40 30 KGEBRN Fc1ccccc1COc1ccc(Br)cc1CN=Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000100410548 554375255 /nfs/dbraw/zinc/37/52/55/554375255.db2.gz PHJNPOPVGLGIMK-LQKURTRISA-N 0 0 572.439 3.471 40 30 KGEBRN Fc1ccc(COc2ccc(Br)cc2CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000100415500 554381817 /nfs/dbraw/zinc/38/18/17/554381817.db2.gz CTCWXLCNKHGLMN-LQKURTRISA-N 0 0 572.439 3.471 40 30 KGEBRN O=[N+]([O-])c1cc(/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCOCC3)c2)ccc1N1CCOCC1 ZINC000100473153 554399773 /nfs/dbraw/zinc/39/97/73/554399773.db2.gz UQJZYHLLAWHZQL-NHFJDJAPSA-N 0 0 543.646 3.193 40 30 KGEBRN O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000100475835 554400858 /nfs/dbraw/zinc/40/08/58/554400858.db2.gz UATAMHYOMOULOB-NHFJDJAPSA-N 0 0 543.646 3.193 40 30 KGEBRN O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000100475857 554400854 /nfs/dbraw/zinc/40/08/54/554400854.db2.gz VDEUEWPXDQVIFU-NHFJDJAPSA-N 0 0 543.646 3.193 40 30 KGEBRN O=[N+]([O-])c1ccc(N2CCCCC2)c(/C=N/c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000100475870 554400816 /nfs/dbraw/zinc/40/08/16/554400816.db2.gz NMRRKXMJJKWUSD-NHFJDJAPSA-N 0 0 543.646 3.193 40 30 KGEBRN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nonc1C(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100494634 554403995 /nfs/dbraw/zinc/40/39/95/554403995.db2.gz IPXNIVKNWJLNRC-LQGKIZFRSA-N 0 0 514.371 3.375 40 30 KGEBRN COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)/C(C)=C/[C@H](C)[C@H](OC(N)=O)[C@@H](OC)CCCC=CC(=O)C(=O)NC(=CC1=O)C2 ZINC000100504480 554407541 /nfs/dbraw/zinc/40/75/41/554407541.db2.gz VJUPWHCXVOBLIL-AKAZXHJSSA-N 0 0 576.687 3.023 40 30 KGEBRN COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)/C(C)=C/[C@H](C)[C@H](OC(N)=O)[C@@H](OC)CCCC=CC(=O)C(=O)NC(=CC1=O)C2 ZINC000100504484 554407605 /nfs/dbraw/zinc/40/76/05/554407605.db2.gz VJUPWHCXVOBLIL-VDBXVQFDSA-N 0 0 576.687 3.023 40 30 KGEBRN COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)[C@H](OC(N)=O)[C@@H](OC)CCCC=CC(=O)C(=O)NC(=CC1=O)C2 ZINC000100504487 554407511 /nfs/dbraw/zinc/40/75/11/554407511.db2.gz VJUPWHCXVOBLIL-VMLHLDQGSA-N 0 0 576.687 3.023 40 30 KGEBRN COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)[C@H](OC(N)=O)[C@@H](OC)CCCC=CC(=O)C(=O)NC(=CC1=O)C2 ZINC000100504488 554407504 /nfs/dbraw/zinc/40/75/04/554407504.db2.gz VJUPWHCXVOBLIL-TVXIZELOSA-N 0 0 576.687 3.023 40 30 KGEBRN CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCN(CCNC=C4C(=O)CC(C)(C)CC4=O)CC3)C2=O)cc1 ZINC000100541822 554413162 /nfs/dbraw/zinc/41/31/62/554413162.db2.gz ASYRNRRACDCALV-SANMLTNESA-N 0 0 552.716 3.327 40 30 KGEBRN CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(CCNC=C4C(=O)CC(C)(C)CC4=O)CC3)C2=O)cc1 ZINC000100541827 554413174 /nfs/dbraw/zinc/41/31/74/554413174.db2.gz ASYRNRRACDCALV-AREMUKBSSA-N 0 0 552.716 3.327 40 30 KGEBRN CCOC(=O)[C@H]1C(N=Nc2ccc([N+](=O)[O-])cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc2c(c1)OCO2 ZINC000100546632 554414368 /nfs/dbraw/zinc/41/43/68/554414368.db2.gz KIQGYOAASREFHV-PKLPFTPRSA-N 0 0 527.530 3.389 40 30 KGEBRN CCOC(=O)[C@H]1C(N=Nc2ccc([N+](=O)[O-])cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc2c(c1)OCO2 ZINC000100546637 554414327 /nfs/dbraw/zinc/41/43/27/554414327.db2.gz KIQGYOAASREFHV-QZLMBXROSA-N 0 0 527.530 3.389 40 30 KGEBRN O=[N+]([O-])c1cccc(S(=O)(=O)/N=C2\C=C/C(=N\S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)c1 ZINC000100556626 554416283 /nfs/dbraw/zinc/41/62/83/554416283.db2.gz YNTJWWKJHNNAMO-MBALSZOMSA-N 0 0 526.508 3.429 40 30 KGEBRN CCCC(NC[C@@H](C)NC(CCC)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100637528 554435809 /nfs/dbraw/zinc/43/58/09/554435809.db2.gz ZEQTYYKGWIBESH-JZGHCMRQSA-N 0 0 574.715 3.377 40 30 KGEBRN CCCC(NC[C@@H](C)NC(CCC)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100637532 554435832 /nfs/dbraw/zinc/43/58/32/554435832.db2.gz ZEQTYYKGWIBESH-XDCFLBQTSA-N 0 0 574.715 3.377 40 30 KGEBRN Cn1c2nc(N=NC=C(Cl)Cc3ccc([N+](=O)[O-])cc3)n(CCOc3ccccc3)c2c(=O)[nH]c1=O ZINC000100711234 554453532 /nfs/dbraw/zinc/45/35/32/554453532.db2.gz SXAWYGOUGRRKIR-ZISZJEGSSA-N 0 0 509.910 3.088 40 30 KGEBRN CCCC(NC[C@@H](C)NC(CCC)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100746238 554464691 /nfs/dbraw/zinc/46/46/91/554464691.db2.gz ZEQTYYKGWIBESH-TUVWPSKJSA-N 0 0 574.715 3.377 40 30 KGEBRN CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000100849140 554492142 /nfs/dbraw/zinc/49/21/42/554492142.db2.gz CIOLMTLOCUJIMU-TUGGKKJXSA-N 0 0 554.548 3.045 40 30 KGEBRN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000100849145 554492157 /nfs/dbraw/zinc/49/21/57/554492157.db2.gz CIOLMTLOCUJIMU-MRSAQEHHSA-N 0 0 554.548 3.045 40 30 KGEBRN N=C(N/N=C/c1ccccc1Cl)c1nonc1NCNc1nonc1C(=N)N/N=C/c1ccccc1Cl ZINC000100929569 554526151 /nfs/dbraw/zinc/52/61/51/554526151.db2.gz GJKWUKJJOCYDNU-UWSUZHQVSA-N 0 0 541.363 3.139 40 30 KGEBRN CN1C(=O)C(=Cc2ccc(OCc3ccccc3C#N)c(I)c2)C(=O)N(C)C1=S ZINC000100956842 554539574 /nfs/dbraw/zinc/53/95/74/554539574.db2.gz GXADQRUONHRAEV-UHFFFAOYSA-N 0 0 517.348 3.341 40 30 KGEBRN CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972860 554544666 /nfs/dbraw/zinc/54/46/66/554544666.db2.gz VHEBOLPUBIDJAJ-OLRQPGBRSA-N 0 0 526.434 3.495 40 30 KGEBRN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972864 554544683 /nfs/dbraw/zinc/54/46/83/554544683.db2.gz VHEBOLPUBIDJAJ-LRWZUSMTSA-N 0 0 526.434 3.495 40 30 KGEBRN CCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972867 554544687 /nfs/dbraw/zinc/54/46/87/554544687.db2.gz VRZKOGSYKNTBTB-OLRQPGBRSA-N 0 0 526.434 3.495 40 30 KGEBRN CCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972874 554544654 /nfs/dbraw/zinc/54/46/54/554544654.db2.gz VRZKOGSYKNTBTB-LRWZUSMTSA-N 0 0 526.434 3.495 40 30 KGEBRN Cc1cc(C)n(NC(=O)CCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c(=O)c1C#N ZINC000101002164 554552596 /nfs/dbraw/zinc/55/25/96/554552596.db2.gz GSDPQBKZAXVHOQ-YVLHZVERSA-N 0 0 517.430 3.461 40 30 KGEBRN COc1ccc2[nH]cc(CCNC(=NC(=O)CCN3C(=O)c4ccccc4C3=O)Nc3nc(C)cc(C)n3)c2c1 ZINC000101021143 554561573 /nfs/dbraw/zinc/56/15/73/554561573.db2.gz CVHDRACDBXGAAH-UHFFFAOYSA-N 0 0 539.596 3.396 40 30 KGEBRN Cc1ccc(S(=O)(=O)NN=C2[C@@H]3C=C[C@H]4C(=NNS(=O)(=O)c5ccc(C)cc5)[C@H]5C=C[C@H]2C5C34)cc1 ZINC000101049139 554568575 /nfs/dbraw/zinc/56/85/75/554568575.db2.gz PFYGTCNJIUSWIY-QVGYUHCVSA-N 0 0 522.652 3.136 40 30 KGEBRN Cc1ccc(S(=O)(=O)NN=C2[C@H]3C=C[C@@H]4C(=NNS(=O)(=O)c5ccc(C)cc5)[C@H]5C=C[C@H]2C5C34)cc1 ZINC000101049148 554568618 /nfs/dbraw/zinc/56/86/18/554568618.db2.gz PFYGTCNJIUSWIY-NBQZKVBHSA-N 0 0 522.652 3.136 40 30 KGEBRN COc1cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1c(F)cccc1Cl ZINC000101090565 554581933 /nfs/dbraw/zinc/58/19/33/554581933.db2.gz UUXCTATWOJLIJG-MUFRIFMGSA-N 0 0 558.014 3.371 40 30 KGEBRN CO[C@@H]1C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@@H]1OC)C2=O ZINC000101161465 554659813 /nfs/dbraw/zinc/65/98/13/554659813.db2.gz PLTGBUPHJAKFMA-FLBNJKGLSA-N 0 0 558.672 3.334 40 30 KGEBRN CN(C)c1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101300270 554713541 /nfs/dbraw/zinc/71/35/41/554713541.db2.gz QMYLBPXPSUQCGJ-IZZBOOBQSA-N 0 0 558.726 3.490 40 30 KGEBRN CN(C)c1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101300273 554713532 /nfs/dbraw/zinc/71/35/32/554713532.db2.gz QMYLBPXPSUQCGJ-KHALBCJQSA-N 0 0 558.726 3.490 40 30 KGEBRN CN(C)c1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101300278 554713539 /nfs/dbraw/zinc/71/35/39/554713539.db2.gz QMYLBPXPSUQCGJ-GQDSBCQISA-N 0 0 558.726 3.490 40 30 KGEBRN CN(C)c1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101300282 554713565 /nfs/dbraw/zinc/71/35/65/554713565.db2.gz QMYLBPXPSUQCGJ-SSBBOGBISA-N 0 0 558.726 3.490 40 30 KGEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101301541 554713768 /nfs/dbraw/zinc/71/37/68/554713768.db2.gz GBTDXEDZKOOXSH-JWASRMDHSA-N 0 0 517.673 3.394 40 30 KGEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101301544 554713799 /nfs/dbraw/zinc/71/37/99/554713799.db2.gz GBTDXEDZKOOXSH-IIQCZNOZSA-N 0 0 517.673 3.394 40 30 KGEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101301548 554713761 /nfs/dbraw/zinc/71/37/61/554713761.db2.gz GBTDXEDZKOOXSH-PFFFQMPCSA-N 0 0 517.673 3.394 40 30 KGEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101301553 554713772 /nfs/dbraw/zinc/71/37/72/554713772.db2.gz GBTDXEDZKOOXSH-KOZIYSKTSA-N 0 0 517.673 3.394 40 30 KGEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101301587 554713843 /nfs/dbraw/zinc/71/38/43/554713843.db2.gz VZGATCJPRDPGNH-JVZWFSMOSA-N 0 0 510.682 3.049 40 30 KGEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101301592 554713859 /nfs/dbraw/zinc/71/38/59/554713859.db2.gz VZGATCJPRDPGNH-YNNLNTILSA-N 0 0 510.682 3.049 40 30 KGEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101301597 554713805 /nfs/dbraw/zinc/71/38/05/554713805.db2.gz VZGATCJPRDPGNH-JGLUGSORSA-N 0 0 510.682 3.049 40 30 KGEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101301601 554713752 /nfs/dbraw/zinc/71/37/52/554713752.db2.gz VZGATCJPRDPGNH-PTLTXODJSA-N 0 0 510.682 3.049 40 30 KGEBRN COc1ccc(CCN2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101302941 554714021 /nfs/dbraw/zinc/71/40/21/554714021.db2.gz XCLAJUJPRBCMMT-LUISUNMPSA-N 0 0 573.737 3.471 40 30 KGEBRN COc1ccc(CCN2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101302943 554713952 /nfs/dbraw/zinc/71/39/52/554713952.db2.gz XCLAJUJPRBCMMT-QQILVJHLSA-N 0 0 573.737 3.471 40 30 KGEBRN COc1ccc(CCN2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101302947 554713969 /nfs/dbraw/zinc/71/39/69/554713969.db2.gz XCLAJUJPRBCMMT-WZMSJIQNSA-N 0 0 573.737 3.471 40 30 KGEBRN COc1ccc(CCN2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101302950 554713995 /nfs/dbraw/zinc/71/39/95/554713995.db2.gz XCLAJUJPRBCMMT-QKOZFXLBSA-N 0 0 573.737 3.471 40 30 KGEBRN COc1ccc(OC)c(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101304727 554714666 /nfs/dbraw/zinc/71/46/66/554714666.db2.gz PBRXBVSKSMRQSO-GWOLBTMJSA-N 0 0 575.709 3.441 40 30 KGEBRN COc1ccc(OC)c(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101304734 554714658 /nfs/dbraw/zinc/71/46/58/554714658.db2.gz PBRXBVSKSMRQSO-KGVKNWKDSA-N 0 0 575.709 3.441 40 30 KGEBRN COc1ccc(OC)c(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101304737 554714673 /nfs/dbraw/zinc/71/46/73/554714673.db2.gz PBRXBVSKSMRQSO-QQQCRTOPSA-N 0 0 575.709 3.441 40 30 KGEBRN COc1ccc(OC)c(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101304741 554714662 /nfs/dbraw/zinc/71/46/62/554714662.db2.gz PBRXBVSKSMRQSO-CHDBQNOBSA-N 0 0 575.709 3.441 40 30 KGEBRN COc1ccccc1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101307180 554715060 /nfs/dbraw/zinc/71/50/60/554715060.db2.gz UZMKJTOCBFFISU-VGTVPCKGSA-N 0 0 545.683 3.433 40 30 KGEBRN COc1ccccc1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101307184 554715335 /nfs/dbraw/zinc/71/53/35/554715335.db2.gz UZMKJTOCBFFISU-PVIQJBFWSA-N 0 0 545.683 3.433 40 30 KGEBRN COc1ccccc1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101307188 554715289 /nfs/dbraw/zinc/71/52/89/554715289.db2.gz UZMKJTOCBFFISU-YSQWPMOWSA-N 0 0 545.683 3.433 40 30 KGEBRN COc1ccccc1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101307191 554715299 /nfs/dbraw/zinc/71/52/99/554715299.db2.gz UZMKJTOCBFFISU-BHKNFMGESA-N 0 0 545.683 3.433 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)ccc2OC)cc1OC ZINC000101307586 554715290 /nfs/dbraw/zinc/71/52/90/554715290.db2.gz RRTFQWJJZKIGIN-IFGCWSJYSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)ccc2OC)cc1OC ZINC000101307590 554715312 /nfs/dbraw/zinc/71/53/12/554715312.db2.gz RRTFQWJJZKIGIN-DYEHFMOHSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)ccc2OC)cc1OC ZINC000101307593 554715332 /nfs/dbraw/zinc/71/53/32/554715332.db2.gz RRTFQWJJZKIGIN-ORYFHMHCSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)ccc2OC)cc1OC ZINC000101307596 554715307 /nfs/dbraw/zinc/71/53/07/554715307.db2.gz RRTFQWJJZKIGIN-UICPANBMSA-N 0 0 511.021 3.210 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Br)c2)cc1OC ZINC000101307891 554715530 /nfs/dbraw/zinc/71/55/30/554715530.db2.gz KZMWYGHNEGLNIK-JFHYSVCESA-N 0 0 525.446 3.310 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Br)c2)cc1OC ZINC000101307894 554715563 /nfs/dbraw/zinc/71/55/63/554715563.db2.gz KZMWYGHNEGLNIK-PTOKGBLOSA-N 0 0 525.446 3.310 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Br)c2)cc1OC ZINC000101307898 554715543 /nfs/dbraw/zinc/71/55/43/554715543.db2.gz KZMWYGHNEGLNIK-JITNXMJGSA-N 0 0 525.446 3.310 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Br)c2)cc1OC ZINC000101307902 554715525 /nfs/dbraw/zinc/71/55/25/554715525.db2.gz KZMWYGHNEGLNIK-FCKOFNPBSA-N 0 0 525.446 3.310 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)c(OC)cc2OC)cc1OC ZINC000101310258 554717311 /nfs/dbraw/zinc/71/73/11/554717311.db2.gz YVZYEDPFIBYRMX-BIRDCNOKSA-N 0 0 541.047 3.219 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)c(OC)cc2OC)cc1OC ZINC000101310260 554717395 /nfs/dbraw/zinc/71/73/95/554717395.db2.gz YVZYEDPFIBYRMX-LTTYITDWSA-N 0 0 541.047 3.219 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)c(OC)cc2OC)cc1OC ZINC000101310262 554717224 /nfs/dbraw/zinc/71/72/24/554717224.db2.gz YVZYEDPFIBYRMX-MFMSJJFVSA-N 0 0 541.047 3.219 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)c(OC)cc2OC)cc1OC ZINC000101310264 554717392 /nfs/dbraw/zinc/71/73/92/554717392.db2.gz YVZYEDPFIBYRMX-KAIBOQGNSA-N 0 0 541.047 3.219 40 30 KGEBRN CCCCOc1cccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101310582 554718126 /nfs/dbraw/zinc/71/81/26/554718126.db2.gz MMAYYJCYSZCXMB-JVZWFSMOSA-N 0 0 511.666 3.382 40 30 KGEBRN CCCCOc1cccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101310584 554718128 /nfs/dbraw/zinc/71/81/28/554718128.db2.gz MMAYYJCYSZCXMB-YNNLNTILSA-N 0 0 511.666 3.382 40 30 KGEBRN CCCCOc1cccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101310585 554718170 /nfs/dbraw/zinc/71/81/70/554718170.db2.gz MMAYYJCYSZCXMB-JGLUGSORSA-N 0 0 511.666 3.382 40 30 KGEBRN CCCCOc1cccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101310587 554718130 /nfs/dbraw/zinc/71/81/30/554718130.db2.gz MMAYYJCYSZCXMB-PTLTXODJSA-N 0 0 511.666 3.382 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311112 554718814 /nfs/dbraw/zinc/71/88/14/554718814.db2.gz BNLMRDGTYFWMEQ-CWEVOKTGSA-N 0 0 527.974 3.485 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311113 554718795 /nfs/dbraw/zinc/71/87/95/554718795.db2.gz BNLMRDGTYFWMEQ-MDIWMREMSA-N 0 0 527.974 3.485 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311114 554718834 /nfs/dbraw/zinc/71/88/34/554718834.db2.gz BNLMRDGTYFWMEQ-OBQGFTMPSA-N 0 0 527.974 3.485 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311116 554718830 /nfs/dbraw/zinc/71/88/30/554718830.db2.gz BNLMRDGTYFWMEQ-TWQGPDOTSA-N 0 0 527.974 3.485 40 30 KGEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311199 554718950 /nfs/dbraw/zinc/71/89/50/554718950.db2.gz SJJCIVPXPNWNTF-UHQTYDMFSA-N 0 0 503.440 3.258 40 30 KGEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311201 554719229 /nfs/dbraw/zinc/71/92/29/554719229.db2.gz SJJCIVPXPNWNTF-KBPHNNNPSA-N 0 0 503.440 3.258 40 30 KGEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311203 554719224 /nfs/dbraw/zinc/71/92/24/554719224.db2.gz SJJCIVPXPNWNTF-JQBIRHBESA-N 0 0 503.440 3.258 40 30 KGEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311205 554719243 /nfs/dbraw/zinc/71/92/43/554719243.db2.gz SJJCIVPXPNWNTF-IKXRYLQMSA-N 0 0 503.440 3.258 40 30 KGEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311333 554719631 /nfs/dbraw/zinc/71/96/31/554719631.db2.gz NUJGLPRXUHKXEJ-PHNKULQFSA-N 0 0 592.534 3.373 40 30 KGEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311336 554719613 /nfs/dbraw/zinc/71/96/13/554719613.db2.gz NUJGLPRXUHKXEJ-FIWPUYIHSA-N 0 0 592.534 3.373 40 30 KGEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311341 554719639 /nfs/dbraw/zinc/71/96/39/554719639.db2.gz NUJGLPRXUHKXEJ-PXKLUGQNSA-N 0 0 592.534 3.373 40 30 KGEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311344 554719645 /nfs/dbraw/zinc/71/96/45/554719645.db2.gz NUJGLPRXUHKXEJ-ABBWZYCQSA-N 0 0 592.534 3.373 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2F)cc1OC ZINC000101311661 554720035 /nfs/dbraw/zinc/72/00/35/554720035.db2.gz HEWKUJKJEPQJGW-BFNGYNHWSA-N 0 0 543.436 3.450 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)cc1OC ZINC000101311662 554720040 /nfs/dbraw/zinc/72/00/40/554720040.db2.gz HEWKUJKJEPQJGW-FQCZDGKXSA-N 0 0 543.436 3.450 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2F)cc1OC ZINC000101311664 554720045 /nfs/dbraw/zinc/72/00/45/554720045.db2.gz HEWKUJKJEPQJGW-XIRWQIPHSA-N 0 0 543.436 3.450 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)cc1OC ZINC000101311666 554720014 /nfs/dbraw/zinc/72/00/14/554720014.db2.gz HEWKUJKJEPQJGW-WGICHRRSSA-N 0 0 543.436 3.450 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F ZINC000101311679 554720051 /nfs/dbraw/zinc/72/00/51/554720051.db2.gz IDZKJWUGUXIZPV-KJSDEICGSA-N 0 0 536.445 3.104 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F ZINC000101311680 554720043 /nfs/dbraw/zinc/72/00/43/554720043.db2.gz IDZKJWUGUXIZPV-HKKHXYRBSA-N 0 0 536.445 3.104 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F ZINC000101311682 554720017 /nfs/dbraw/zinc/72/00/17/554720017.db2.gz IDZKJWUGUXIZPV-YBZSAHNDSA-N 0 0 536.445 3.104 40 30 KGEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F ZINC000101311685 554720011 /nfs/dbraw/zinc/72/00/11/554720011.db2.gz IDZKJWUGUXIZPV-DNRSRTTPSA-N 0 0 536.445 3.104 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2)cc1OC ZINC000101312295 554720626 /nfs/dbraw/zinc/72/06/26/554720626.db2.gz GJMDOELJPNVKIO-JFHYSVCESA-N 0 0 525.446 3.310 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2)cc1OC ZINC000101312297 554720617 /nfs/dbraw/zinc/72/06/17/554720617.db2.gz GJMDOELJPNVKIO-PTOKGBLOSA-N 0 0 525.446 3.310 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2)cc1OC ZINC000101312299 554720602 /nfs/dbraw/zinc/72/06/02/554720602.db2.gz GJMDOELJPNVKIO-JITNXMJGSA-N 0 0 525.446 3.310 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2)cc1OC ZINC000101312302 554720690 /nfs/dbraw/zinc/72/06/90/554720690.db2.gz GJMDOELJPNVKIO-FCKOFNPBSA-N 0 0 525.446 3.310 40 30 KGEBRN COc1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 ZINC000101312817 554720904 /nfs/dbraw/zinc/72/09/04/554720904.db2.gz PYNRNIQHJCGHTO-GWOLBTMJSA-N 0 0 575.709 3.441 40 30 KGEBRN COc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 ZINC000101312818 554720907 /nfs/dbraw/zinc/72/09/07/554720907.db2.gz PYNRNIQHJCGHTO-KGVKNWKDSA-N 0 0 575.709 3.441 40 30 KGEBRN COc1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 ZINC000101312819 554720915 /nfs/dbraw/zinc/72/09/15/554720915.db2.gz PYNRNIQHJCGHTO-QQQCRTOPSA-N 0 0 575.709 3.441 40 30 KGEBRN COc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 ZINC000101312821 554720951 /nfs/dbraw/zinc/72/09/51/554720951.db2.gz PYNRNIQHJCGHTO-CHDBQNOBSA-N 0 0 575.709 3.441 40 30 KGEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101313284 554721840 /nfs/dbraw/zinc/72/18/40/554721840.db2.gz FIGLQLOIGIZRAZ-RBDRSWFJSA-N 0 0 532.482 3.192 40 30 KGEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101313288 554721844 /nfs/dbraw/zinc/72/18/44/554721844.db2.gz FIGLQLOIGIZRAZ-WVHYYKIHSA-N 0 0 532.482 3.192 40 30 KGEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000101313291 554721835 /nfs/dbraw/zinc/72/18/35/554721835.db2.gz FIGLQLOIGIZRAZ-VUDKEIIRSA-N 0 0 532.482 3.192 40 30 KGEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000101313293 554721838 /nfs/dbraw/zinc/72/18/38/554721838.db2.gz FIGLQLOIGIZRAZ-JBOYTTPDSA-N 0 0 532.482 3.192 40 30 KGEBRN COc1cccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101313741 554722237 /nfs/dbraw/zinc/72/22/37/554722237.db2.gz CILOJGNIQSNGOS-DFFQFHJCSA-N 0 0 545.683 3.433 40 30 KGEBRN COc1cccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101313745 554722233 /nfs/dbraw/zinc/72/22/33/554722233.db2.gz CILOJGNIQSNGOS-QWUNKSFHSA-N 0 0 545.683 3.433 40 30 KGEBRN COc1cccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101313749 554722138 /nfs/dbraw/zinc/72/21/38/554722138.db2.gz CILOJGNIQSNGOS-PNZMNKQSSA-N 0 0 545.683 3.433 40 30 KGEBRN COc1cccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101313753 554722130 /nfs/dbraw/zinc/72/21/30/554722130.db2.gz CILOJGNIQSNGOS-QKGRYLSMSA-N 0 0 545.683 3.433 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000101315745 554723159 /nfs/dbraw/zinc/72/31/59/554723159.db2.gz RFXILHSPYHPWFF-CFOWBDCSSA-N 0 0 530.546 3.447 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000101315746 554723145 /nfs/dbraw/zinc/72/31/45/554723145.db2.gz RFXILHSPYHPWFF-ZAAFALQESA-N 0 0 530.546 3.447 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000101315748 554723081 /nfs/dbraw/zinc/72/30/81/554723081.db2.gz RFXILHSPYHPWFF-WMCBDBMJSA-N 0 0 530.546 3.447 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000101315749 554723070 /nfs/dbraw/zinc/72/30/70/554723070.db2.gz RFXILHSPYHPWFF-FOFBWMLKSA-N 0 0 530.546 3.447 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000101316182 554723345 /nfs/dbraw/zinc/72/33/45/554723345.db2.gz MLVRKVHKHVTSOH-RNEAELQVSA-N 0 0 538.873 3.229 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000101316185 554723371 /nfs/dbraw/zinc/72/33/71/554723371.db2.gz MLVRKVHKHVTSOH-QDVZPWOHSA-N 0 0 538.873 3.229 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000101316188 554723336 /nfs/dbraw/zinc/72/33/36/554723336.db2.gz MLVRKVHKHVTSOH-YQBFYPLFSA-N 0 0 538.873 3.229 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000101316190 554723334 /nfs/dbraw/zinc/72/33/34/554723334.db2.gz MLVRKVHKHVTSOH-OBVRQNTFSA-N 0 0 538.873 3.229 40 30 KGEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2 ZINC000101316541 554723641 /nfs/dbraw/zinc/72/36/41/554723641.db2.gz OSHBMKJWVFJJHX-JRGOOCQUSA-N 0 0 573.693 3.148 40 30 KGEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2 ZINC000101316542 554723687 /nfs/dbraw/zinc/72/36/87/554723687.db2.gz OSHBMKJWVFJJHX-XWLXMJANSA-N 0 0 573.693 3.148 40 30 KGEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2 ZINC000101316543 554723712 /nfs/dbraw/zinc/72/37/12/554723712.db2.gz OSHBMKJWVFJJHX-UUPPDPECSA-N 0 0 573.693 3.148 40 30 KGEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2 ZINC000101316544 554723600 /nfs/dbraw/zinc/72/36/00/554723600.db2.gz OSHBMKJWVFJJHX-ZQOKMPJBSA-N 0 0 573.693 3.148 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316931 554724158 /nfs/dbraw/zinc/72/41/58/554724158.db2.gz ANVRWMNTMHJMGT-CWEVOKTGSA-N 0 0 527.974 3.485 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316933 554724138 /nfs/dbraw/zinc/72/41/38/554724138.db2.gz ANVRWMNTMHJMGT-MDIWMREMSA-N 0 0 527.974 3.485 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316937 554724137 /nfs/dbraw/zinc/72/41/37/554724137.db2.gz ANVRWMNTMHJMGT-OBQGFTMPSA-N 0 0 527.974 3.485 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316940 554724147 /nfs/dbraw/zinc/72/41/47/554724147.db2.gz ANVRWMNTMHJMGT-TWQGPDOTSA-N 0 0 527.974 3.485 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317645 554724580 /nfs/dbraw/zinc/72/45/80/554724580.db2.gz PNFVDAXPODRUKZ-MOYGZLJBSA-N 0 0 531.656 3.392 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317646 554724585 /nfs/dbraw/zinc/72/45/85/554724585.db2.gz PNFVDAXPODRUKZ-TUUYGLIOSA-N 0 0 531.656 3.392 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317647 554724774 /nfs/dbraw/zinc/72/47/74/554724774.db2.gz PNFVDAXPODRUKZ-UDLCPXAISA-N 0 0 531.656 3.392 40 30 KGEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317648 554724787 /nfs/dbraw/zinc/72/47/87/554724787.db2.gz PNFVDAXPODRUKZ-DZQKVFKYSA-N 0 0 531.656 3.392 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(I)c2)cc1 ZINC000101317681 554724764 /nfs/dbraw/zinc/72/47/64/554724764.db2.gz BRTFUIPGSCUBIY-SCQYRGFBSA-N 0 0 542.420 3.144 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(I)c2)cc1 ZINC000101317683 554724809 /nfs/dbraw/zinc/72/48/09/554724809.db2.gz BRTFUIPGSCUBIY-QNWGQDPCSA-N 0 0 542.420 3.144 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(I)c2)cc1 ZINC000101317685 554724800 /nfs/dbraw/zinc/72/48/00/554724800.db2.gz BRTFUIPGSCUBIY-LNQCCUSDSA-N 0 0 542.420 3.144 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(I)c2)cc1 ZINC000101317688 554724758 /nfs/dbraw/zinc/72/47/58/554724758.db2.gz BRTFUIPGSCUBIY-UGJKGHESSA-N 0 0 542.420 3.144 40 30 KGEBRN O=C(Cc1ccc(F)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317815 554725000 /nfs/dbraw/zinc/72/50/00/554725000.db2.gz PGJGIVVFCDDKBN-FBILQTODSA-N 0 0 530.384 3.274 40 30 KGEBRN O=C(Cc1ccc(F)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317817 554725013 /nfs/dbraw/zinc/72/50/13/554725013.db2.gz PGJGIVVFCDDKBN-XWGOGYMWSA-N 0 0 530.384 3.274 40 30 KGEBRN O=C(Cc1ccc(F)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317820 554725006 /nfs/dbraw/zinc/72/50/06/554725006.db2.gz PGJGIVVFCDDKBN-ZWTLYLSISA-N 0 0 530.384 3.274 40 30 KGEBRN O=C(Cc1ccc(F)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317821 554724998 /nfs/dbraw/zinc/72/49/98/554724998.db2.gz PGJGIVVFCDDKBN-JFOZHCFESA-N 0 0 530.384 3.274 40 30 KGEBRN Cc1cccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(I)c2)c1 ZINC000101317836 554724999 /nfs/dbraw/zinc/72/49/99/554724999.db2.gz JZCFQLAXNICTGH-SCQYRGFBSA-N 0 0 526.421 3.444 40 30 KGEBRN Cc1cccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(I)c2)c1 ZINC000101317837 554725005 /nfs/dbraw/zinc/72/50/05/554725005.db2.gz JZCFQLAXNICTGH-QNWGQDPCSA-N 0 0 526.421 3.444 40 30 KGEBRN Cc1cccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(I)c2)c1 ZINC000101317839 554725011 /nfs/dbraw/zinc/72/50/11/554725011.db2.gz JZCFQLAXNICTGH-LNQCCUSDSA-N 0 0 526.421 3.444 40 30 KGEBRN Cc1cccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(I)c2)c1 ZINC000101317842 554724973 /nfs/dbraw/zinc/72/49/73/554724973.db2.gz JZCFQLAXNICTGH-UGJKGHESSA-N 0 0 526.421 3.444 40 30 KGEBRN Cc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(I)c2)cc1 ZINC000101317844 554725023 /nfs/dbraw/zinc/72/50/23/554725023.db2.gz SHKJEBKAGLIOFA-SCQYRGFBSA-N 0 0 526.421 3.444 40 30 KGEBRN Cc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(I)c2)cc1 ZINC000101317847 554724971 /nfs/dbraw/zinc/72/49/71/554724971.db2.gz SHKJEBKAGLIOFA-QNWGQDPCSA-N 0 0 526.421 3.444 40 30 KGEBRN Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(I)c2)cc1 ZINC000101317850 554725141 /nfs/dbraw/zinc/72/51/41/554725141.db2.gz SHKJEBKAGLIOFA-LNQCCUSDSA-N 0 0 526.421 3.444 40 30 KGEBRN Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(I)c2)cc1 ZINC000101317852 554725148 /nfs/dbraw/zinc/72/51/48/554725148.db2.gz SHKJEBKAGLIOFA-UGJKGHESSA-N 0 0 526.421 3.444 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317870 554725193 /nfs/dbraw/zinc/72/51/93/554725193.db2.gz QLOZPSRMUSZABB-RQIDFLJBSA-N 0 0 542.420 3.144 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317871 554725214 /nfs/dbraw/zinc/72/52/14/554725214.db2.gz QLOZPSRMUSZABB-OAVRJRIGSA-N 0 0 542.420 3.144 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317872 554725205 /nfs/dbraw/zinc/72/52/05/554725205.db2.gz QLOZPSRMUSZABB-ZRFXMRQPSA-N 0 0 542.420 3.144 40 30 KGEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317873 554725211 /nfs/dbraw/zinc/72/52/11/554725211.db2.gz QLOZPSRMUSZABB-NZEUXEMISA-N 0 0 542.420 3.144 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(I)c2)cc1OC ZINC000101317874 554725202 /nfs/dbraw/zinc/72/52/02/554725202.db2.gz AOBJXGCHIPEGOT-JFHYSVCESA-N 0 0 572.446 3.153 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(I)c2)cc1OC ZINC000101317876 554725187 /nfs/dbraw/zinc/72/51/87/554725187.db2.gz AOBJXGCHIPEGOT-PTOKGBLOSA-N 0 0 572.446 3.153 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(I)c2)cc1OC ZINC000101317877 554725209 /nfs/dbraw/zinc/72/52/09/554725209.db2.gz AOBJXGCHIPEGOT-JITNXMJGSA-N 0 0 572.446 3.153 40 30 KGEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(I)c2)cc1OC ZINC000101317879 554725228 /nfs/dbraw/zinc/72/52/28/554725228.db2.gz AOBJXGCHIPEGOT-FCKOFNPBSA-N 0 0 572.446 3.153 40 30 KGEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 ZINC000101318047 554725166 /nfs/dbraw/zinc/72/51/66/554725166.db2.gz PNRFLVPPAIXYDU-GKVDLXSRSA-N 0 0 559.666 3.153 40 30 KGEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 ZINC000101318049 554725168 /nfs/dbraw/zinc/72/51/68/554725168.db2.gz PNRFLVPPAIXYDU-QHUAUXFUSA-N 0 0 559.666 3.153 40 30 KGEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 ZINC000101318050 554725159 /nfs/dbraw/zinc/72/51/59/554725159.db2.gz PNRFLVPPAIXYDU-AIMRAGJNSA-N 0 0 559.666 3.153 40 30 KGEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 ZINC000101318051 554725191 /nfs/dbraw/zinc/72/51/91/554725191.db2.gz PNRFLVPPAIXYDU-MOBKFGSQSA-N 0 0 559.666 3.153 40 30 KGEBRN COc1ccc(CN2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101318615 554725644 /nfs/dbraw/zinc/72/56/44/554725644.db2.gz DCKSTXDLNDVNSS-IZZBOOBQSA-N 0 0 559.710 3.428 40 30 KGEBRN COc1ccc(CN2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101318617 554725683 /nfs/dbraw/zinc/72/56/83/554725683.db2.gz DCKSTXDLNDVNSS-KHALBCJQSA-N 0 0 559.710 3.428 40 30 KGEBRN COc1ccc(CN2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101318624 554725659 /nfs/dbraw/zinc/72/56/59/554725659.db2.gz DCKSTXDLNDVNSS-GQDSBCQISA-N 0 0 559.710 3.428 40 30 KGEBRN COc1ccc(CN2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101318630 554725628 /nfs/dbraw/zinc/72/56/28/554725628.db2.gz DCKSTXDLNDVNSS-SSBBOGBISA-N 0 0 559.710 3.428 40 30 KGEBRN COc1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101318866 554726168 /nfs/dbraw/zinc/72/61/68/554726168.db2.gz NUBOTEHOWWKKJQ-DFFQFHJCSA-N 0 0 545.683 3.433 40 30 KGEBRN COc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101318867 554726247 /nfs/dbraw/zinc/72/62/47/554726247.db2.gz NUBOTEHOWWKKJQ-QWUNKSFHSA-N 0 0 545.683 3.433 40 30 KGEBRN COc1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101318870 554726267 /nfs/dbraw/zinc/72/62/67/554726267.db2.gz NUBOTEHOWWKKJQ-PNZMNKQSSA-N 0 0 545.683 3.433 40 30 KGEBRN COc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101318871 554726288 /nfs/dbraw/zinc/72/62/88/554726288.db2.gz NUBOTEHOWWKKJQ-QKGRYLSMSA-N 0 0 545.683 3.433 40 30 KGEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000101319390 554726955 /nfs/dbraw/zinc/72/69/55/554726955.db2.gz TUPHRMRQAVQINI-ZLDSNXLKSA-N 0 0 524.709 3.357 40 30 KGEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000101319393 554726915 /nfs/dbraw/zinc/72/69/15/554726915.db2.gz TUPHRMRQAVQINI-SBLBCILWSA-N 0 0 524.709 3.357 40 30 KGEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000101319395 554726993 /nfs/dbraw/zinc/72/69/93/554726993.db2.gz TUPHRMRQAVQINI-HOVHKQMYSA-N 0 0 524.709 3.357 40 30 KGEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000101319398 554726930 /nfs/dbraw/zinc/72/69/30/554726930.db2.gz TUPHRMRQAVQINI-OTSMZHERSA-N 0 0 524.709 3.357 40 30 KGEBRN C=C(C)COc1cc2oc(=O)c(CC(=O)NC[C@H]3CC[C@H](C(=O)NCCO)CC3)c(C)c2cc1Cl ZINC000101420554 554766955 /nfs/dbraw/zinc/76/69/55/554766955.db2.gz WBFJJMNWGKZUFW-HDICACEKSA-N 0 0 505.011 3.283 40 30 KGEBRN NC(=O)C1=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000101461586 554778387 /nfs/dbraw/zinc/77/83/87/554778387.db2.gz VOKYLAKZGGLWDU-JCZXDDDQSA-N 0 0 548.451 3.489 40 30 KGEBRN NC(=O)C1=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000101461589 554778376 /nfs/dbraw/zinc/77/83/76/554778376.db2.gz VOKYLAKZGGLWDU-UKQGIEBLSA-N 0 0 548.451 3.489 40 30 KGEBRN CO[C@H]1C2=CC(=O)C=C(NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H](OC)[C@@H](OC)C[C@H]1C)C2=O ZINC000101511873 554793086 /nfs/dbraw/zinc/79/30/86/554793086.db2.gz PLTGBUPHJAKFMA-YJNPBHRGSA-N 0 0 558.672 3.334 40 30 KGEBRN CO[C@H]1C2=CC(=O)C=C(NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H](OC)[C@@H](OC)C[C@H]1C)C2=O ZINC000101511875 554793089 /nfs/dbraw/zinc/79/30/89/554793089.db2.gz PLTGBUPHJAKFMA-WRFIQSCOSA-N 0 0 558.672 3.334 40 30 KGEBRN CO[C@H]1C2=CC(=O)C=C(NC(=O)/C(C)=C\C=C[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H](OC)[C@@H](OC)C[C@H]1C)C2=O ZINC000101511877 554793108 /nfs/dbraw/zinc/79/31/08/554793108.db2.gz PLTGBUPHJAKFMA-XGVXSWJBSA-N 0 0 558.672 3.334 40 30 KGEBRN CO[C@H]1C2=CC(=O)C=C(NC(=O)/C(C)=C\C=C\[C@@H](C)[C@@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@@H](OC)[C@@H](OC)C[C@H]1C)C2=O ZINC000101511879 554793079 /nfs/dbraw/zinc/79/30/79/554793079.db2.gz PLTGBUPHJAKFMA-GVUVUUONSA-N 0 0 558.672 3.334 40 30 KGEBRN O=c1nc(-c2ccccc2)n(CS(=O)(=O)c2ccccc2)c(=O)n1/C(=N/CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000102628486 554988522 /nfs/dbraw/zinc/98/85/22/554988522.db2.gz XIRIEEOXWYZFES-TVKQRKNISA-N 0 0 600.678 3.230 40 30 KGEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000102701123 555013191 /nfs/dbraw/zinc/01/31/91/555013191.db2.gz NTDBNEJXUJVLLX-UHFFFAOYSA-N 0 0 526.575 3.359 40 30 KGEBRN CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2c(=O)n3ccccc3nc2Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000102849970 555085099 /nfs/dbraw/zinc/08/50/99/555085099.db2.gz NTCWFPFPSVILQB-WPWMEQJKSA-N 0 0 620.677 3.206 40 30 KGEBRN NNC(C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)=C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] ZINC000102915744 555144050 /nfs/dbraw/zinc/14/40/50/555144050.db2.gz HQVIEEROQCAVIJ-PHQOBFFQSA-N 0 0 509.222 3.024 40 30 KGEBRN NNC(C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)=C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] ZINC000102915746 555143928 /nfs/dbraw/zinc/14/39/28/555143928.db2.gz HQVIEEROQCAVIJ-OYJNRBEISA-N 0 0 509.222 3.024 40 30 KGEBRN COCCCn1c(=O)/c(=C/c2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)s/c1=C(\C#N)C(=O)N1CCCC1 ZINC000102929284 555155025 /nfs/dbraw/zinc/15/50/25/555155025.db2.gz JVAUVAXQJMFDOW-BYTAOWBHSA-N 0 0 587.677 3.497 40 30 KGEBRN COc1cc(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1OC(=O)OC(C)(C)C ZINC000102929724 555155838 /nfs/dbraw/zinc/15/58/38/555155838.db2.gz PNCMWCZGDUMTRZ-BUVRLJJBSA-N 0 0 536.563 3.384 40 30 KGEBRN C/C(=N\NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1cc2ccccc2o1 ZINC000102933547 555160469 /nfs/dbraw/zinc/16/04/69/555160469.db2.gz XPLCBFHWSCDOTQ-OVVQPSECSA-N 0 0 543.671 3.001 40 30 KGEBRN O=S(=O)(c1ccc(/N=C/c2cccc(/C=N/c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1)N1CCOCC1 ZINC000102933941 555161351 /nfs/dbraw/zinc/16/13/51/555161351.db2.gz AFJJMAHKSGAGCD-VFIVCBTMSA-N 0 0 582.704 3.230 40 30 KGEBRN O=S(=O)(c1ccc(N2CCOCC2)c(NC(=S)N/N=C/c2ccc(Cl)cc2Cl)c1)N1CCOCC1 ZINC000102934198 555161517 /nfs/dbraw/zinc/16/15/17/555161517.db2.gz WHAPQOCYEPBEBC-MFKUBSTISA-N 0 0 558.513 3.171 40 30 KGEBRN N#CC(=C(NNC(N)=S)C(=NNC(N)=S)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102934992 555162253 /nfs/dbraw/zinc/16/22/53/555162253.db2.gz UXUWNIAETPUALY-ITGTTYIOSA-N 0 0 503.444 3.286 40 30 KGEBRN O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000102947560 555172167 /nfs/dbraw/zinc/17/21/67/555172167.db2.gz ZMVYTVAOQKTVDH-NFFVHWSESA-N 0 0 514.966 3.298 40 30 KGEBRN CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102961135 555176639 /nfs/dbraw/zinc/17/66/39/555176639.db2.gz LYJYNUBRJZXLRD-GYRUEZOASA-N 0 0 558.682 3.280 40 30 KGEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102961139 555176608 /nfs/dbraw/zinc/17/66/08/555176608.db2.gz LYJYNUBRJZXLRD-ZKZPFDSASA-N 0 0 558.682 3.280 40 30 KGEBRN CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102961179 555176612 /nfs/dbraw/zinc/17/66/12/555176612.db2.gz SDTJTZPTRKISJG-BPMVYWJCSA-N 0 0 534.635 3.217 40 30 KGEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102961182 555176656 /nfs/dbraw/zinc/17/66/56/555176656.db2.gz SDTJTZPTRKISJG-RTGZZVAKSA-N 0 0 534.635 3.217 40 30 KGEBRN CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102961206 555176662 /nfs/dbraw/zinc/17/66/62/555176662.db2.gz PEGNXSAPICOOSO-TYGLDRHGSA-N 0 0 516.645 3.078 40 30 KGEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102961209 555176648 /nfs/dbraw/zinc/17/66/48/555176648.db2.gz PEGNXSAPICOOSO-MONKAWABSA-N 0 0 516.645 3.078 40 30 KGEBRN CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1 ZINC000102962532 555178994 /nfs/dbraw/zinc/17/89/94/555178994.db2.gz MUHBDZKNXXHUHY-TYGLDRHGSA-N 0 0 518.661 3.324 40 30 KGEBRN CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1 ZINC000102962535 555178924 /nfs/dbraw/zinc/17/89/24/555178924.db2.gz MUHBDZKNXXHUHY-MONKAWABSA-N 0 0 518.661 3.324 40 30 KGEBRN CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1 ZINC000102962573 555179217 /nfs/dbraw/zinc/17/92/17/555179217.db2.gz CZDUNRVTLVVKRP-NVWMPKGRSA-N 0 0 504.634 3.316 40 30 KGEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1 ZINC000102962575 555179231 /nfs/dbraw/zinc/17/92/31/555179231.db2.gz CZDUNRVTLVVKRP-LRVSTDGRSA-N 0 0 504.634 3.316 40 30 KGEBRN COCCn1c(=O)/c(=C\c2ccc(-c3ccccc3C(=O)OC)o2)s/c1=C(\C#N)C(=O)Nc1cccc(C)c1 ZINC000102963127 555179404 /nfs/dbraw/zinc/17/94/04/555179404.db2.gz TYPRQWLSPIKECH-QUTFRIDHSA-N 0 0 543.601 3.053 40 30 KGEBRN CCN(CC)S(=O)(=O)c1ccc(-c2ccc(/C=c3\s/c(=C(\C#N)C(=O)C(C)(C)C)n(C[C@@H]4CCCO4)c3=O)o2)cc1 ZINC000102963187 555179407 /nfs/dbraw/zinc/17/94/07/555179407.db2.gz KSFHIWYFOKOBMW-PDRTWZJESA-N 0 0 597.759 3.498 40 30 KGEBRN CCCc1ccc(C(=O)/C(C#N)=c2/s/c(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)c(=O)n2CCCOC)cc1 ZINC000102963303 555179382 /nfs/dbraw/zinc/17/93/82/555179382.db2.gz JKONEZNZVVJQSW-YWQGPNTMSA-N 0 0 534.638 3.259 40 30 KGEBRN CCCc1ccc(C(=O)/C(C#N)=c2/s/c(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)c(=O)n2CCCOC)cc1 ZINC000102963306 555179419 /nfs/dbraw/zinc/17/94/19/555179419.db2.gz JKONEZNZVVJQSW-TVKOHGLVSA-N 0 0 534.638 3.259 40 30 KGEBRN C=CCn1c(=O)/c(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)s/c1=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000102963313 555179370 /nfs/dbraw/zinc/17/93/70/555179370.db2.gz CXNIVLDOXTYYRY-SMNUHXQKSA-N 0 0 558.544 3.189 40 30 KGEBRN COC(=O)c1ccccc1-c1ccc(/C=c2/s/c(=C(/C#N)C(N)=O)n(-c3ccc(Cl)cc3Cl)c2=O)o1 ZINC000102963486 555179549 /nfs/dbraw/zinc/17/95/49/555179549.db2.gz GDSJRBSODXBQDB-RZZQPQBMSA-N 0 0 540.384 3.241 40 30 KGEBRN N#C/C(C(N)=O)=c1/s/c(=C/c2cn(-c3ccccc3)nc2-c2cccs2)c(=O)n1-c1ccc(Cl)cc1 ZINC000102963674 555179503 /nfs/dbraw/zinc/17/95/03/555179503.db2.gz RXEUAAIIWCWBNZ-YDUTXMGNSA-N 0 0 530.034 3.455 40 30 KGEBRN Cc1ccc(-n2c(=O)/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)s/c2=C(/C#N)C(=O)NCCN2CCOCC2)c(C)c1 ZINC000102963981 555179937 /nfs/dbraw/zinc/17/99/37/555179937.db2.gz DZHMXFFXXNSDQP-KNSRRFPPSA-N 0 0 630.774 3.320 40 30 KGEBRN Cc1cccc(-n2c(=O)/c(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)s/c2=C(/C#N)C(=O)N2CCCC2)c1 ZINC000102964028 555179997 /nfs/dbraw/zinc/17/99/97/555179997.db2.gz QMGOBTKFHGBOBS-OOVLAANKSA-N 0 0 543.649 3.231 40 30 KGEBRN COc1cc(/C=N/N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)ccc1OCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000102979949 555187392 /nfs/dbraw/zinc/18/73/92/555187392.db2.gz UMSSVXHOAGRPJW-ZKARKQAZSA-N 0 0 546.536 3.401 40 30 KGEBRN COc1cc(/C=N/N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000102979955 555187375 /nfs/dbraw/zinc/18/73/75/555187375.db2.gz UMSSVXHOAGRPJW-GSSHYHBGSA-N 0 0 546.536 3.401 40 30 KGEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OC(F)F)cc2OC(F)F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000102980998 555187959 /nfs/dbraw/zinc/18/79/59/555187959.db2.gz VCRGRFQPNGIQKC-BHGWPJFGSA-N 0 0 522.433 3.265 40 30 KGEBRN O=[N+]([O-])c1ccc([N-][NH+]=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000102981006 555187965 /nfs/dbraw/zinc/18/79/65/555187965.db2.gz OHFTYMMXLJRUDM-KOEQRZSOSA-N 0 0 558.642 3.022 40 30 KGEBRN COC(=O)c1ccc(COc2ccc(CN=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000102981013 555187955 /nfs/dbraw/zinc/18/79/55/555187955.db2.gz UYKLPQQETSNEMK-WPWMEQJKSA-N 0 0 554.581 3.427 40 30 KGEBRN COc1cc(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000102983688 555189452 /nfs/dbraw/zinc/18/94/52/555189452.db2.gz BGJSRTAPTLPNSW-JTKRPGIGSA-N 0 0 589.671 3.239 40 30 KGEBRN COc1cc(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000102983693 555189541 /nfs/dbraw/zinc/18/95/41/555189541.db2.gz BGJSRTAPTLPNSW-CYBMKAQISA-N 0 0 589.671 3.239 40 30 KGEBRN COC(=O)c1ccc(COc2ccc(CN=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])cc2OC)cc1 ZINC000102983737 555189652 /nfs/dbraw/zinc/18/96/52/555189652.db2.gz APPUKCUJRZPAHR-OGLMXYFKSA-N 0 0 584.607 3.436 40 30 KGEBRN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CN=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000102983753 555189648 /nfs/dbraw/zinc/18/96/48/555189648.db2.gz WAAHXQKJTVHBEF-ZMOGYAJESA-N 0 0 522.946 3.348 40 30 KGEBRN COc1cc(CN=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000102984391 555190215 /nfs/dbraw/zinc/19/02/15/555190215.db2.gz OYZCIKANZRLIDG-CFRMEGHHSA-N 0 0 534.572 3.081 40 30 KGEBRN COc1cc(CN=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000102984394 555190199 /nfs/dbraw/zinc/19/01/99/555190199.db2.gz OYZCIKANZRLIDG-ZMOGYAJESA-N 0 0 534.572 3.081 40 30 KGEBRN NS(=O)(=O)c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000102984411 555190192 /nfs/dbraw/zinc/19/01/92/555190192.db2.gz VYLSMJQSGFYDFG-VULFUBBASA-N 0 0 520.527 3.312 40 30 KGEBRN CCCCCCCCOc1cc(=O)c2c(O)c(-c3ccc(O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)cc3)coc-2c1 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C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C\c1ccccc1 ZINC000299888296 572141093 /nfs/dbraw/zinc/14/10/93/572141093.db2.gz DLEDLHFNQDHEOJ-DMDFYMBNSA-N 0 0 654.712 3.124 40 30 KGEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(I)c1OCC(N)=O ZINC000408528446 572164412 /nfs/dbraw/zinc/16/44/12/572164412.db2.gz FBPRUNFMZGBEJH-SXGWCWSVSA-N 0 0 523.352 3.364 40 30 KGEBRN COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(I)c1OCC(N)=O ZINC000408529016 572166508 /nfs/dbraw/zinc/16/65/08/572166508.db2.gz GKNOPWWUBSBXAA-DHDCSXOGSA-N 0 0 509.325 3.056 40 30 KGEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(I)c1OCC(N)=O ZINC000408531048 572174486 /nfs/dbraw/zinc/17/44/86/572174486.db2.gz NRIAWVSCTLYCPA-YBEGLDIGSA-N 0 0 523.352 3.446 40 30 KGEBRN C=CCn1c(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)nnc1-c1cc(Br)ccc1O ZINC000408542204 572210004 /nfs/dbraw/zinc/21/00/04/572210004.db2.gz HRISXXPEIXZLDR-UHFFFAOYSA-N 0 0 574.417 3.429 40 30 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572269962 /nfs/dbraw/zinc/26/99/62/572269962.db2.gz CKPXGTXHGQZVLS-INIZCTEOSA-N 0 0 509.588 3.481 40 30 KGEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000408594835 572269942 /nfs/dbraw/zinc/26/99/42/572269942.db2.gz CKPXGTXHGQZVLS-MRXNPFEDSA-N 0 0 509.588 3.481 40 30 KGEBRN C=CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000408594869 572269988 /nfs/dbraw/zinc/26/99/88/572269988.db2.gz CUEVGGPUBKYJNQ-UHFFFAOYSA-N 0 0 523.615 3.353 40 30 KGEBRN C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000408595310 572270326 /nfs/dbraw/zinc/27/03/26/572270326.db2.gz GLWAOUFAZYJWJZ-UHFFFAOYSA-N 0 0 511.579 3.483 40 30 KGEBRN C=CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C(=O)OCC)c1 ZINC000408595596 572270454 /nfs/dbraw/zinc/27/04/54/572270454.db2.gz KFVPPBSZFYCVFI-UHFFFAOYSA-N 0 0 523.615 3.353 40 30 KGEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000408595652 572270515 /nfs/dbraw/zinc/27/05/15/572270515.db2.gz KVMGGVGQUGPRQZ-KRWDZBQOSA-N 0 0 523.615 3.410 40 30 KGEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000408595654 572270478 /nfs/dbraw/zinc/27/04/78/572270478.db2.gz KVMGGVGQUGPRQZ-QGZVFWFLSA-N 0 0 523.615 3.410 40 30 KGEBRN C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccc(C(=O)OCC)c1 ZINC000408595994 572270602 /nfs/dbraw/zinc/27/06/02/572270602.db2.gz LOZWEZAXHZZVDF-UHFFFAOYSA-N 0 0 511.579 3.483 40 30 KGEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000408596091 572270723 /nfs/dbraw/zinc/27/07/23/572270723.db2.gz OMILTXWCJRHYTI-INIZCTEOSA-N 0 0 509.588 3.481 40 30 KGEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000408596095 572270751 /nfs/dbraw/zinc/27/07/51/572270751.db2.gz OMILTXWCJRHYTI-MRXNPFEDSA-N 0 0 509.588 3.481 40 30 KGEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000408596116 572270753 /nfs/dbraw/zinc/27/07/53/572270753.db2.gz OPFOXQFXMBMDQK-KRWDZBQOSA-N 0 0 523.615 3.410 40 30 KGEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000408596119 572270744 /nfs/dbraw/zinc/27/07/44/572270744.db2.gz OPFOXQFXMBMDQK-QGZVFWFLSA-N 0 0 523.615 3.410 40 30 KGEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000408596581 572271081 /nfs/dbraw/zinc/27/10/81/572271081.db2.gz SCYLVJVFZPZDIS-NTUHNPAUSA-N 0 0 551.625 3.328 40 30 KGEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000408596726 572271215 /nfs/dbraw/zinc/27/12/15/572271215.db2.gz VDTTVDXXJPAJAW-ZRDIBKRKSA-N 0 0 551.625 3.328 40 30 KGEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)ccc1OCC(=O)OC(C)C ZINC000408601615 572272948 /nfs/dbraw/zinc/27/29/48/572272948.db2.gz KVNYIVKUPSAZTK-YUMHPJSZSA-N 0 0 505.579 3.422 40 30 KGEBRN Fc1cccc(Cl)c1COc1ccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000408603472 572273673 /nfs/dbraw/zinc/27/36/73/572273673.db2.gz RAELVBVCTJDCHK-NTFVMDSBSA-N 0 0 527.988 3.362 40 30 KGEBRN COc1c(C=N[N-]c2nc(N(C)C)nc(NCc3ccccc3)[nH+]2)cc(Br)cc1[N+](=O)[O-] ZINC000408718054 1059708452 /nfs/dbraw/zinc/70/84/52/1059708452.db2.gz FXBUTJGGAQBBPV-FSJBWODESA-N 0 0 501.345 3.097 40 30 KGEBRN O=[N+]([O-])c1cc(C=NNc2nc(NCc3ccccc3)nc(N3CCOCC3)n2)c(Cl)cc1Cl ZINC000408718403 1059708373 /nfs/dbraw/zinc/70/83/73/1059708373.db2.gz MDNPBOGJLILRAY-DHRITJCHSA-N 0 0 503.350 3.403 40 30 KGEBRN Clc1ccccc1COc1ccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000408719554 1059712210 /nfs/dbraw/zinc/71/22/10/1059712210.db2.gz UPBYLKRBARRURZ-PKAZHMFMSA-N 0 0 509.998 3.223 40 30 KGEBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNc2nc3nonc3[nH]c2=NNc2ccc(C)cc2)o1 ZINC000408720668 1059711927 /nfs/dbraw/zinc/71/19/27/1059711927.db2.gz BVIYWTBCKKTXPN-MSXFZWOLSA-N 0 0 501.463 3.227 40 30 KGEBRN COC(=O)c1ccc(C=NNc2nc(Nc3ccc(C)cc3Br)nc(N3CCOCC3)n2)cc1 ZINC000408720793 1059711485 /nfs/dbraw/zinc/71/14/85/1059711485.db2.gz DIBHPHNGUQKHQJ-AFUMVMLFSA-N 0 0 526.395 3.177 40 30 KGEBRN Cc1ccc(Nc2nc(NN=Cc3ccc([N+](=O)[O-])cc3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000408720822 1059712200 /nfs/dbraw/zinc/71/22/00/1059712200.db2.gz DUUCLJHGYMASLY-YDZHTSKRSA-N 0 0 513.356 3.299 40 30 KGEBRN COc1c(O)ccc(C=NNc2nc(Nc3ccc(C)cc3Br)nc(N3CCOCC3)n2)c1[N+](=O)[O-] ZINC000408720873 1059712108 /nfs/dbraw/zinc/71/21/08/1059712108.db2.gz GRJHIIPHOVZAOO-WYMPLXKRSA-N 0 0 559.381 3.013 40 30 KGEBRN Cc1ccc(Nc2nc([N-][NH+]=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000408721080 1059711543 /nfs/dbraw/zinc/71/15/43/1059711543.db2.gz KFKSZJYYMAXMIH-AFUMVMLFSA-N 0 0 556.425 3.365 40 30 KGEBRN O=[N+]([O-])c1cc(CN=Nc2nc3nonc3nc2Nc2ccc(Br)cc2)ccc1Br ZINC000408721095 1059711563 /nfs/dbraw/zinc/71/15/63/1059711563.db2.gz KKLVZECNFJLRBD-ZBKNUEDVSA-N 0 0 534.128 3.479 40 30 KGEBRN COc1c(OC(C)=O)ccc(C=NNc2nc(Nc3ccc(C)cc3Br)nc(N3CCOCC3)n2)c1[N+](=O)[O-] ZINC000408721208 1059711507 /nfs/dbraw/zinc/71/15/07/1059711507.db2.gz MKLIJJNUTAVITQ-LGJNPRDNSA-N 0 0 601.418 3.233 40 30 KGEBRN CCOC(=O)c1ccc(-c2ccc(C=NNc3nc4nonc4[nH]c3=NNc3ccc(C)cc3)o2)c([N+](=O)[O-])c1 ZINC000408721377 1059711239 /nfs/dbraw/zinc/71/12/39/1059711239.db2.gz QHEISRMJDWOFEB-ZMFRSBBQSA-N 0 0 543.500 3.395 40 30 KGEBRN COc1c(I)cc(I)cc1CN=Nc1nc2nonc2nc1Nc1ccc(F)cc1 ZINC000408721738 1059710703 /nfs/dbraw/zinc/71/07/03/1059710703.db2.gz XYDRWDFLKXJHPM-UYOCIXKTSA-N 0 0 631.147 3.403 40 30 KGEBRN COc1c(C=NNc2nc(Nc3ccc(C)cc3Br)nc(N3CCOCC3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408721746 1059710722 /nfs/dbraw/zinc/71/07/22/1059710722.db2.gz YAMRUQARPXOHFE-WYMPLXKRSA-N 0 0 588.379 3.216 40 30 KGEBRN COc1ccc(-c2ccc(C=NNc3nc4nonc4[nH]c3=NNc3ccc(C)cc3)o2)c([N+](=O)[O-])c1 ZINC000408721826 1059710595 /nfs/dbraw/zinc/71/05/95/1059710595.db2.gz ZUPOLWKYFYFSJI-MSXFZWOLSA-N 0 0 501.463 3.227 40 30 KGEBRN O=C(Oc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408723902 1059710236 /nfs/dbraw/zinc/71/02/36/1059710236.db2.gz ACVATZFTRCWDGO-OVVQPSECSA-N 0 0 532.561 3.272 40 30 KGEBRN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1 ZINC000408724179 1059708570 /nfs/dbraw/zinc/70/85/70/1059708570.db2.gz HCOSAVDWKZHAKK-TURZUDJPSA-N 0 0 517.590 3.372 40 30 KGEBRN O=C(Oc1cccc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408724289 1059710213 /nfs/dbraw/zinc/71/02/13/1059710213.db2.gz JQSBIQVVVBZFFI-OVVQPSECSA-N 0 0 532.561 3.272 40 30 KGEBRN O=C(Oc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408724416 1059710272 /nfs/dbraw/zinc/71/02/72/1059710272.db2.gz JXZWZPRXAMJPEC-MTDXEUNCSA-N 0 0 540.540 3.447 40 30 KGEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408724635 1059709818 /nfs/dbraw/zinc/70/98/18/1059709818.db2.gz AOXXAFNCFJYTBV-XSZPGNIMSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408724637 1059709761 /nfs/dbraw/zinc/70/97/61/1059709761.db2.gz AOXXAFNCFJYTBV-XXMKCSCWSA-N 0 0 520.607 3.380 40 30 KGEBRN O=C(Oc1cccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408725029 1059709699 /nfs/dbraw/zinc/70/96/99/1059709699.db2.gz NPJACVXUXANPRM-MTDXEUNCSA-N 0 0 540.540 3.447 40 30 KGEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408727568 1059716220 /nfs/dbraw/zinc/71/62/20/1059716220.db2.gz UFUMRRHSVPWTBO-JGTYQCAFSA-N 0 0 504.564 3.092 40 30 KGEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408727571 1059716092 /nfs/dbraw/zinc/71/60/92/1059716092.db2.gz UFUMRRHSVPWTBO-LYRGBEMXSA-N 0 0 504.564 3.092 40 30 KGEBRN COc1cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000408728079 1059715543 /nfs/dbraw/zinc/71/55/43/1059715543.db2.gz VIPOPHZHMKTYIS-ZCTHSVRISA-N 0 0 577.686 3.121 40 30 KGEBRN COc1ccc(Nc2nc(NCc3ccco3)nc(NN=Cc3cc(OC)c(O)cc3[N+](=O)[O-])n2)cc1 ZINC000408729985 1059715202 /nfs/dbraw/zinc/71/52/02/1059715202.db2.gz MKZSGTCOIKKGOX-BRJLIKDPSA-N 0 0 506.479 3.319 40 30 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KGEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408824314 1059733184 /nfs/dbraw/zinc/73/31/84/1059733184.db2.gz GRZSFEUHLRNQNT-OWXSRONMSA-N 0 0 502.592 3.127 40 30 KGEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408824317 1059024291 /nfs/dbraw/zinc/02/42/91/1059024291.db2.gz GRZSFEUHLRNQNT-ZMIGGIFCSA-N 0 0 502.592 3.127 40 30 KGEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408825997 1059736388 /nfs/dbraw/zinc/73/63/88/1059736388.db2.gz SIDOSYMGLXCANJ-IVNHJSRESA-N 0 0 502.592 3.209 40 30 KGEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408825998 1059024508 /nfs/dbraw/zinc/02/45/08/1059024508.db2.gz SIDOSYMGLXCANJ-PBMMVTTKSA-N 0 0 502.592 3.209 40 30 KGEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408829827 1059740104 /nfs/dbraw/zinc/74/01/04/1059740104.db2.gz OUUGRQYLIPMKJM-FOOJEKODSA-N 0 0 502.592 3.127 40 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C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408833590 1059003282 /nfs/dbraw/zinc/00/32/82/1059003282.db2.gz RWBJLVQDZXCCJP-RNHBDSLOSA-N 0 0 523.010 3.472 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408834452 1059738289 /nfs/dbraw/zinc/73/82/89/1059738289.db2.gz WCRIZHSIUNUCMZ-MKWGYRPRSA-N 0 0 547.633 3.496 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408834454 1059025999 /nfs/dbraw/zinc/02/59/99/1059025999.db2.gz WCRIZHSIUNUCMZ-OCEWKHMESA-N 0 0 547.633 3.496 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408835041 1059736975 /nfs/dbraw/zinc/73/69/75/1059736975.db2.gz WRICDRWDBWNZGK-OWXSRONMSA-N 0 0 517.607 3.408 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408835044 1059026020 /nfs/dbraw/zinc/02/60/20/1059026020.db2.gz WRICDRWDBWNZGK-ZMIGGIFCSA-N 0 0 517.607 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/nfs/dbraw/zinc/02/75/92/1059027592.db2.gz AJKHCQSGFGXSLL-RNHBDSLOSA-N 0 0 505.552 3.271 40 30 KGEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000408850980 1059745526 /nfs/dbraw/zinc/74/55/26/1059745526.db2.gz SSPYKYFTROZPQJ-DLBLZJNESA-N 0 0 535.578 3.280 40 30 KGEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000408850981 1059745386 /nfs/dbraw/zinc/74/53/86/1059745386.db2.gz SSPYKYFTROZPQJ-FCKOQQNDSA-N 0 0 535.578 3.280 40 30 KGEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1 ZINC000408851382 1059745445 /nfs/dbraw/zinc/74/54/45/1059745445.db2.gz YMNYXNXXVNHGFO-NLZIUFDSSA-N 0 0 536.606 3.086 40 30 KGEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1 ZINC000408851385 1059745543 /nfs/dbraw/zinc/74/55/43/1059745543.db2.gz YMNYXNXXVNHGFO-WLGHQHAYSA-N 0 0 536.606 3.086 40 30 KGEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)cc4[N+](=O)[O-])c(=O)n32)cc1 ZINC000408852935 1059744934 /nfs/dbraw/zinc/74/49/34/1059744934.db2.gz ONYIWCAOLJJLCR-CBYYHRJHSA-N 0 0 565.604 3.289 40 30 KGEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)cc4[N+](=O)[O-])c(=O)n32)cc1 ZINC000408852936 1059744953 /nfs/dbraw/zinc/74/49/53/1059744953.db2.gz ONYIWCAOLJJLCR-PNZYDNNZSA-N 0 0 565.604 3.289 40 30 KGEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n32)cc1 ZINC000408855049 1059744078 /nfs/dbraw/zinc/74/40/78/1059744078.db2.gz CAOCVYVXMLLGFW-DKOMQPSQSA-N 0 0 549.561 3.000 40 30 KGEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n32)cc1 ZINC000408855051 1059744244 /nfs/dbraw/zinc/74/42/44/1059744244.db2.gz CAOCVYVXMLLGFW-IZBTWGKQSA-N 0 0 549.561 3.000 40 30 KGEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(O)c(OC)c4)c(=O)n32)cc1 ZINC000408855654 1059743522 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PNLFJRBSBACUKJ-IZBTWGKQSA-N 0 0 658.470 3.152 40 30 KGEBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3cccc(OCC#N)c3)sc2=N1 ZINC000408927650 1059033461 /nfs/dbraw/zinc/03/34/61/1059033461.db2.gz RCZRVZIJNRJDMM-QKSFETHESA-N 0 0 517.607 3.489 40 30 KGEBRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3cccc(OCC#N)c3)sc2=N1 ZINC000408927651 1059033639 /nfs/dbraw/zinc/03/36/39/1059033639.db2.gz RCZRVZIJNRJDMM-ZDQFFALBSA-N 0 0 517.607 3.489 40 30 KGEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408927656 1059764334 /nfs/dbraw/zinc/76/43/34/1059764334.db2.gz REWHINQSDNPVHU-CBYYHRJHSA-N 0 0 583.062 3.490 40 30 KGEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408927657 1059764359 /nfs/dbraw/zinc/76/43/59/1059764359.db2.gz REWHINQSDNPVHU-PNZYDNNZSA-N 0 0 583.062 3.490 40 30 KGEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408927751 1059764887 /nfs/dbraw/zinc/76/48/87/1059764887.db2.gz XOLRMHBOQHLDNM-FQWPPLDYSA-N 0 0 614.461 3.424 40 30 KGEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408927752 1059033964 /nfs/dbraw/zinc/03/39/64/1059033964.db2.gz XOLRMHBOQHLDNM-RNHBDSLOSA-N 0 0 614.461 3.424 40 30 KGEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408927801 1059033896 /nfs/dbraw/zinc/03/38/96/1059033896.db2.gz YAEILJFBNAPZIO-CBYYHRJHSA-N 0 0 674.513 3.441 40 30 KGEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408927803 1059764297 /nfs/dbraw/zinc/76/42/97/1059764297.db2.gz YAEILJFBNAPZIO-PNZYDNNZSA-N 0 0 674.513 3.441 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408927836 1059034006 /nfs/dbraw/zinc/03/40/06/1059034006.db2.gz RZUQKMPQQIVVND-HPFVHPJRSA-N 0 0 545.661 3.275 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408927837 1059764435 /nfs/dbraw/zinc/76/44/35/1059764435.db2.gz RZUQKMPQQIVVND-WHNPURCTSA-N 0 0 545.661 3.275 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(CCC)N=3)cc1 ZINC000408927972 1059764420 /nfs/dbraw/zinc/76/44/20/1059764420.db2.gz ZBRWJDDNDXBWFM-LMSRTUJASA-N 0 0 530.602 3.319 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(CCC)N=3)cc1 ZINC000408927973 1059764253 /nfs/dbraw/zinc/76/42/53/1059764253.db2.gz ZBRWJDDNDXBWFM-RISWYLRJSA-N 0 0 530.602 3.319 40 30 KGEBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C/c3ccccc3OCC#N)sc2=N1 ZINC000408928206 1059764464 /nfs/dbraw/zinc/76/44/64/1059764464.db2.gz XLGRVAKNFWNDNC-IVNHJSRESA-N 0 0 517.607 3.489 40 30 KGEBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C/c3ccccc3OCC#N)sc2=N1 ZINC000408928207 1059764314 /nfs/dbraw/zinc/76/43/14/1059764314.db2.gz XLGRVAKNFWNDNC-PBMMVTTKSA-N 0 0 517.607 3.489 40 30 KGEBRN CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1OCC ZINC000408929402 1059033940 /nfs/dbraw/zinc/03/39/40/1059033940.db2.gz JHFOEKOJOKVESU-QECFJDBTSA-N 0 0 504.346 3.164 40 30 KGEBRN CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1I ZINC000408930257 1059033872 /nfs/dbraw/zinc/03/38/72/1059033872.db2.gz USDRULVKBUDXSE-HIZUVTEDSA-N 0 0 586.189 3.370 40 30 KGEBRN C/N=C1/S/C(=C/c2cc(I)c(OC)c(I)c2)C(=O)N1C ZINC000408930425 1059034070 /nfs/dbraw/zinc/03/40/70/1059034070.db2.gz WXURPFMDSSZGRL-AAALYJMCSA-N 0 0 514.126 3.436 40 30 KGEBRN CC/N=C1/S/C(=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)C(=O)N1CC ZINC000408930629 1059033917 /nfs/dbraw/zinc/03/39/17/1059033917.db2.gz ZSDGGQLDDOEDMJ-QECFJDBTSA-N 0 0 504.346 3.164 40 30 KGEBRN COC(=O)COc1c(I)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC ZINC000408931596 1059033229 /nfs/dbraw/zinc/03/32/29/1059033229.db2.gz NRBUEWQGGRTKJB-YDZHTSKRSA-N 0 0 510.328 3.439 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1I ZINC000408932471 1059769019 /nfs/dbraw/zinc/76/90/19/1059769019.db2.gz CFIOEFCCILRIJI-KXERKJKRSA-N 0 0 644.487 3.432 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1I ZINC000408932472 1059769706 /nfs/dbraw/zinc/76/97/06/1059769706.db2.gz CFIOEFCCILRIJI-RVEICJNFSA-N 0 0 644.487 3.432 40 30 KGEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)ccc1O ZINC000408933667 1059768475 /nfs/dbraw/zinc/76/84/75/1059768475.db2.gz JVOZFZZQEDFFFU-KXERKJKRSA-N 0 0 520.607 3.250 40 30 KGEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)ccc1O ZINC000408933668 1059768573 /nfs/dbraw/zinc/76/85/73/1059768573.db2.gz JVOZFZZQEDFFFU-RVEICJNFSA-N 0 0 520.607 3.250 40 30 KGEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1 ZINC000408934549 1059767658 /nfs/dbraw/zinc/76/76/58/1059767658.db2.gz LVSFELFHNSZLLP-AIAVXMCLSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1 ZINC000408934553 1059034822 /nfs/dbraw/zinc/03/48/22/1059034822.db2.gz LVSFELFHNSZLLP-JCHYSQADSA-N 0 0 520.607 3.380 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000408934694 1059034846 /nfs/dbraw/zinc/03/48/46/1059034846.db2.gz CTQLBMQDQHLCRJ-MFUBYVTQSA-N 0 0 539.009 3.091 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000408934704 1059034770 /nfs/dbraw/zinc/03/47/70/1059034770.db2.gz CTQLBMQDQHLCRJ-RWTNITNYSA-N 0 0 539.009 3.091 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1 ZINC000408934812 1059767167 /nfs/dbraw/zinc/76/71/67/1059767167.db2.gz DBOGNAXBJVCEOA-QCHPHUCNSA-N 0 0 508.983 3.082 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1 ZINC000408934813 1059767140 /nfs/dbraw/zinc/76/71/40/1059767140.db2.gz DBOGNAXBJVCEOA-VZIOXZNFSA-N 0 0 508.983 3.082 40 30 KGEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1[N+](=O)[O-] ZINC000408934844 1059767243 /nfs/dbraw/zinc/76/72/43/1059767243.db2.gz DJKOEWQYFTWVGJ-JDQXFBDKSA-N 0 0 642.484 3.498 40 30 KGEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1[N+](=O)[O-] ZINC000408934845 1059767114 /nfs/dbraw/zinc/76/71/14/1059767114.db2.gz DJKOEWQYFTWVGJ-NXAROGRYSA-N 0 0 642.484 3.498 40 30 KGEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)ccc4OCC#N)c(=O)n32)cc1OCC ZINC000408935386 1059766662 /nfs/dbraw/zinc/76/66/62/1059766662.db2.gz DRTIEBWTLXKKTJ-AKKXDVJXSA-N 0 0 554.024 3.371 40 30 KGEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)ccc4OCC#N)c(=O)n32)cc1OCC ZINC000408935387 1059766613 /nfs/dbraw/zinc/76/66/13/1059766613.db2.gz DRTIEBWTLXKKTJ-PQBKBUHISA-N 0 0 554.024 3.371 40 30 KGEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC#N)c(OC)c4)c(=O)n32)cc1OCC ZINC000408935783 1059766736 /nfs/dbraw/zinc/76/67/36/1059766736.db2.gz NRQKMTWVYUKWOE-HYIDZWCSSA-N 0 0 584.050 3.380 40 30 KGEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC#N)c(OC)c4)c(=O)n32)cc1OCC ZINC000408935786 1059766573 /nfs/dbraw/zinc/76/65/73/1059766573.db2.gz NRQKMTWVYUKWOE-XKKBFUJGSA-N 0 0 584.050 3.380 40 30 KGEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408935844 1059766082 /nfs/dbraw/zinc/76/60/82/1059766082.db2.gz OGKGUINUTMDNIU-MJRUJHQZSA-N 0 0 563.632 3.117 40 30 KGEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408935845 1059035212 /nfs/dbraw/zinc/03/52/12/1059035212.db2.gz OGKGUINUTMDNIU-MLGNGQMDSA-N 0 0 563.632 3.117 40 30 KGEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408936263 1059766170 /nfs/dbraw/zinc/76/61/70/1059766170.db2.gz OYFSPFVLTYOFMP-KXERKJKRSA-N 0 0 583.062 3.490 40 30 KGEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408936265 1059766255 /nfs/dbraw/zinc/76/62/55/1059766255.db2.gz OYFSPFVLTYOFMP-RVEICJNFSA-N 0 0 583.062 3.490 40 30 KGEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408936731 1059765641 /nfs/dbraw/zinc/76/56/41/1059765641.db2.gz PRQXEGPSQKYGQT-MJRUJHQZSA-N 0 0 550.633 3.389 40 30 KGEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408936733 1059035286 /nfs/dbraw/zinc/03/52/86/1059035286.db2.gz PRQXEGPSQKYGQT-MLGNGQMDSA-N 0 0 550.633 3.389 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCC(C)C)cc1 ZINC000408937879 1059781851 /nfs/dbraw/zinc/78/18/51/1059781851.db2.gz ACSKLTZPUJEPIY-DJCCFMDRSA-N 0 0 540.617 3.242 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCC(C)C)cc1 ZINC000408937880 1059781810 /nfs/dbraw/zinc/78/18/10/1059781810.db2.gz ACSKLTZPUJEPIY-MDPDLIBWSA-N 0 0 540.617 3.242 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCC(C)C)cc1 ZINC000408937881 1059782267 /nfs/dbraw/zinc/78/22/67/1059782267.db2.gz ACSKLTZPUJEPIY-NGOXHROLSA-N 0 0 540.617 3.242 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCC(C)C)cc1 ZINC000408937882 1059782444 /nfs/dbraw/zinc/78/24/44/1059782444.db2.gz ACSKLTZPUJEPIY-ZPGVZFHDSA-N 0 0 540.617 3.242 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC)c2ccccc12 ZINC000408937891 1059036994 /nfs/dbraw/zinc/03/69/94/1059036994.db2.gz AEEAYMZVZBQOGE-JCBGDJHISA-N 0 0 548.596 3.369 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC)c2ccccc12 ZINC000408937892 1059782423 /nfs/dbraw/zinc/78/24/23/1059782423.db2.gz AEEAYMZVZBQOGE-OPOPRCQWSA-N 0 0 548.596 3.369 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC)c2ccccc12 ZINC000408937893 1059037043 /nfs/dbraw/zinc/03/70/43/1059037043.db2.gz AEEAYMZVZBQOGE-QJMCHEQVSA-N 0 0 548.596 3.369 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC)c2ccccc12 ZINC000408937894 1059782242 /nfs/dbraw/zinc/78/22/42/1059782242.db2.gz AEEAYMZVZBQOGE-XADGYJGMSA-N 0 0 548.596 3.369 40 30 KGEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)c(I)c4)c(=O)n32)cc1OCC ZINC000408937981 1059782333 /nfs/dbraw/zinc/78/23/33/1059782333.db2.gz RIBYPPJSFFKVNE-HYIDZWCSSA-N 0 0 645.475 3.322 40 30 KGEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)c(I)c4)c(=O)n32)cc1OCC ZINC000408937984 1059782398 /nfs/dbraw/zinc/78/23/98/1059782398.db2.gz RIBYPPJSFFKVNE-XKKBFUJGSA-N 0 0 645.475 3.322 40 30 KGEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c1 ZINC000408938176 1059781689 /nfs/dbraw/zinc/78/16/89/1059781689.db2.gz HHOSOSJCGSLOON-JIOFHBDDSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c1 ZINC000408938180 1059781775 /nfs/dbraw/zinc/78/17/75/1059781775.db2.gz HHOSOSJCGSLOON-VVIXHQMUSA-N 0 0 520.607 3.380 40 30 KGEBRN C#CCOc1ccc(Cl)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408938237 1059781733 /nfs/dbraw/zinc/78/17/33/1059781733.db2.gz HKUOQLQSTAVIJZ-JIOFHBDDSA-N 0 0 553.036 3.481 40 30 KGEBRN C#CCOc1ccc(Cl)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408938239 1059781793 /nfs/dbraw/zinc/78/17/93/1059781793.db2.gz HKUOQLQSTAVIJZ-VVIXHQMUSA-N 0 0 553.036 3.481 40 30 KGEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cccc1OC ZINC000408938268 1059036904 /nfs/dbraw/zinc/03/69/04/1059036904.db2.gz HLQIEVWHQSVCCH-NPWCAHBGSA-N 0 0 550.633 3.389 40 30 KGEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cccc1OC ZINC000408938271 1059781873 /nfs/dbraw/zinc/78/18/73/1059781873.db2.gz HLQIEVWHQSVCCH-WWNGRIQCSA-N 0 0 550.633 3.389 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1OCC ZINC000408938274 1059781716 /nfs/dbraw/zinc/78/17/16/1059781716.db2.gz HLQVCNSRFGVHEK-CBYYHRJHSA-N 0 0 553.036 3.481 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1OCC ZINC000408938276 1059781830 /nfs/dbraw/zinc/78/18/30/1059781830.db2.gz HLQVCNSRFGVHEK-PNZYDNNZSA-N 0 0 553.036 3.481 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(C)c(Br)c1 ZINC000408938603 1059037090 /nfs/dbraw/zinc/03/70/90/1059037090.db2.gz AUVJSPZSUGUAAS-LHAPWRFNSA-N 0 0 561.433 3.278 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(C)c(Br)c1 ZINC000408938605 1059781339 /nfs/dbraw/zinc/78/13/39/1059781339.db2.gz AUVJSPZSUGUAAS-MYGYPVSFSA-N 0 0 561.433 3.278 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(C)c(Br)c1 ZINC000408938606 1059036855 /nfs/dbraw/zinc/03/68/55/1059036855.db2.gz AUVJSPZSUGUAAS-SCHWWVHOSA-N 0 0 561.433 3.278 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(C)c(Br)c1 ZINC000408938608 1059037461 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XJCPOQOVLQMUHA-HYIDZWCSSA-N 0 0 598.475 3.480 40 30 KGEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)c(Br)c4)c(=O)n32)cc1OCC ZINC000408942325 1059778084 /nfs/dbraw/zinc/77/80/84/1059778084.db2.gz XJCPOQOVLQMUHA-XKKBFUJGSA-N 0 0 598.475 3.480 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408942813 1059777136 /nfs/dbraw/zinc/77/71/36/1059777136.db2.gz LIQYEGNNJITCQF-HNVNJYSWSA-N 0 0 562.644 3.226 40 30 KGEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408942817 1059038278 /nfs/dbraw/zinc/03/82/78/1059038278.db2.gz LIQYEGNNJITCQF-NIXSXDNJSA-N 0 0 562.644 3.226 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(C(C)C)cc1 ZINC000408943026 1059004075 /nfs/dbraw/zinc/00/40/75/1059004075.db2.gz FABQZNBBOIQQTJ-DDFSSGQVSA-N 0 0 510.591 3.331 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(C(C)C)cc1 ZINC000408943029 1059776657 /nfs/dbraw/zinc/77/66/57/1059776657.db2.gz FABQZNBBOIQQTJ-FZEVWGAESA-N 0 0 510.591 3.331 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(C(C)C)cc1 ZINC000408943032 1059776676 /nfs/dbraw/zinc/77/66/76/1059776676.db2.gz FABQZNBBOIQQTJ-JEDKUOLWSA-N 0 0 510.591 3.331 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(C(C)C)cc1 ZINC000408943035 1059776733 /nfs/dbraw/zinc/77/67/33/1059776733.db2.gz FABQZNBBOIQQTJ-ZIAGWNQCSA-N 0 0 510.591 3.331 40 30 KGEBRN CCOC(=O)COc1c(I)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408943127 1059776117 /nfs/dbraw/zinc/77/61/17/1059776117.db2.gz FEGCJMCKLMNXAL-FHHGEURRSA-N 0 0 822.391 3.358 40 30 KGEBRN CCOC(=O)COc1c(I)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408943132 1059776039 /nfs/dbraw/zinc/77/60/39/1059776039.db2.gz FEGCJMCKLMNXAL-RGDPDCODSA-N 0 0 822.391 3.358 40 30 KGEBRN CCOC(=O)COc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408943135 1059776028 /nfs/dbraw/zinc/77/60/28/1059776028.db2.gz FEGCJMCKLMNXAL-SLAATXNZSA-N 0 0 822.391 3.358 40 30 KGEBRN CCOC(=O)COc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408943139 1059775982 /nfs/dbraw/zinc/77/59/82/1059775982.db2.gz FEGCJMCKLMNXAL-VOUNGVGKSA-N 0 0 822.391 3.358 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC#N)c(Cl)c1 ZINC000408943162 1059038206 /nfs/dbraw/zinc/03/82/06/1059038206.db2.gz FGGDAARFSPABOA-BGINGSEISA-N 0 0 592.436 3.416 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC#N)c(Cl)c1 ZINC000408943165 1059776099 /nfs/dbraw/zinc/77/60/99/1059776099.db2.gz FGGDAARFSPABOA-OOGLCOOISA-N 0 0 592.436 3.416 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC#N)c(Cl)c1 ZINC000408943168 1059776004 /nfs/dbraw/zinc/77/60/04/1059776004.db2.gz FGGDAARFSPABOA-RCBWWDFLSA-N 0 0 592.436 3.416 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC#N)c(Cl)c1 ZINC000408943171 1059776059 /nfs/dbraw/zinc/77/60/59/1059776059.db2.gz FGGDAARFSPABOA-XZHODTPBSA-N 0 0 592.436 3.416 40 30 KGEBRN CCOC(=O)COc1c(Cl)cc(Cl)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408943213 1059776156 /nfs/dbraw/zinc/77/61/56/1059776156.db2.gz FIYMHOKNOBAUMV-BYBGFGDRSA-N 0 0 639.489 3.456 40 30 KGEBRN CCOC(=O)COc1c(Cl)cc(Cl)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408943216 1059776596 /nfs/dbraw/zinc/77/65/96/1059776596.db2.gz FIYMHOKNOBAUMV-HCDPAWRRSA-N 0 0 639.489 3.456 40 30 KGEBRN CCOC(=O)COc1c(Cl)cc(Cl)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408943217 1059038341 /nfs/dbraw/zinc/03/83/41/1059038341.db2.gz FIYMHOKNOBAUMV-MKVNXLJRSA-N 0 0 639.489 3.456 40 30 KGEBRN CCOC(=O)COc1c(Cl)cc(Cl)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408943219 1059776567 /nfs/dbraw/zinc/77/65/67/1059776567.db2.gz FIYMHOKNOBAUMV-TZPCRGSESA-N 0 0 639.489 3.456 40 30 KGEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCC ZINC000408943371 1059775421 /nfs/dbraw/zinc/77/54/21/1059775421.db2.gz FMSAQTANZGDGMS-CQEDHVPFSA-N 0 0 582.654 3.343 40 30 KGEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCC ZINC000408943375 1059775594 /nfs/dbraw/zinc/77/55/94/1059775594.db2.gz FMSAQTANZGDGMS-KYPUMYEZSA-N 0 0 582.654 3.343 40 30 KGEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCC ZINC000408943379 1059775575 /nfs/dbraw/zinc/77/55/75/1059775575.db2.gz FMSAQTANZGDGMS-LVKUEEFKSA-N 0 0 582.654 3.343 40 30 KGEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCC ZINC000408943382 1059775616 /nfs/dbraw/zinc/77/56/16/1059775616.db2.gz FMSAQTANZGDGMS-NCUQGLLISA-N 0 0 582.654 3.343 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC)c(I)c1 ZINC000408943385 1059775444 /nfs/dbraw/zinc/77/54/44/1059775444.db2.gz FOSVKZHOQZMCLO-JABXYRPJSA-N 0 0 750.328 3.425 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC)c(I)c1 ZINC000408943387 1059775555 /nfs/dbraw/zinc/77/55/55/1059775555.db2.gz FOSVKZHOQZMCLO-NEUFFVIJSA-N 0 0 750.328 3.425 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC)c(I)c1 ZINC000408943389 1059038298 /nfs/dbraw/zinc/03/82/98/1059038298.db2.gz FOSVKZHOQZMCLO-SIFCRSQOSA-N 0 0 750.328 3.425 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC)c(I)c1 ZINC000408943392 1059775519 /nfs/dbraw/zinc/77/55/19/1059775519.db2.gz FOSVKZHOQZMCLO-WRWQHVCMSA-N 0 0 750.328 3.425 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408943569 1059038320 /nfs/dbraw/zinc/03/83/20/1059038320.db2.gz FWTSWZBYXHUNKU-HLBKOFPLSA-N 0 0 579.566 3.375 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408943601 1059774858 /nfs/dbraw/zinc/77/48/58/1059774858.db2.gz FWTSWZBYXHUNKU-JFCQRZRWSA-N 0 0 579.566 3.375 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408943604 1059775468 /nfs/dbraw/zinc/77/54/68/1059775468.db2.gz FWTSWZBYXHUNKU-UJPZYCPGSA-N 0 0 579.566 3.375 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408943609 1059775538 /nfs/dbraw/zinc/77/55/38/1059775538.db2.gz FWTSWZBYXHUNKU-WAQZCJMBSA-N 0 0 579.566 3.375 40 30 KGEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Cl ZINC000408944046 1059774927 /nfs/dbraw/zinc/77/49/27/1059774927.db2.gz GEAOFFTWAGYXLJ-FHHGEURRSA-N 0 0 639.489 3.456 40 30 KGEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Cl ZINC000408944047 1059774977 /nfs/dbraw/zinc/77/49/77/1059774977.db2.gz GEAOFFTWAGYXLJ-RGDPDCODSA-N 0 0 639.489 3.456 40 30 KGEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Cl ZINC000408944048 1059774950 /nfs/dbraw/zinc/77/49/50/1059774950.db2.gz GEAOFFTWAGYXLJ-SLAATXNZSA-N 0 0 639.489 3.456 40 30 KGEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Cl ZINC000408944049 1059774881 /nfs/dbraw/zinc/77/48/81/1059774881.db2.gz GEAOFFTWAGYXLJ-VOUNGVGKSA-N 0 0 639.489 3.456 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)n(CC)c2ccccc12 ZINC000408944499 1059769779 /nfs/dbraw/zinc/76/97/79/1059769779.db2.gz GQWDHWBMYGANAK-FTLAMCAWSA-N 0 0 549.628 3.490 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)n(CC)c2ccccc12 ZINC000408944502 1059769761 /nfs/dbraw/zinc/76/97/61/1059769761.db2.gz GQWDHWBMYGANAK-GCFPKEOMSA-N 0 0 549.628 3.490 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)n(CC)c2ccccc12 ZINC000408944504 1059037544 /nfs/dbraw/zinc/03/75/44/1059037544.db2.gz GQWDHWBMYGANAK-JQDFJLOASA-N 0 0 549.628 3.490 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)n(CC)c2ccccc12 ZINC000408944506 1059769723 /nfs/dbraw/zinc/76/97/23/1059769723.db2.gz GQWDHWBMYGANAK-LUVJPBDYSA-N 0 0 549.628 3.490 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408944937 1059774453 /nfs/dbraw/zinc/77/44/53/1059774453.db2.gz WBJSLYQSWMEZTL-QKSFETHESA-N 0 0 547.633 3.496 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408944938 1059774508 /nfs/dbraw/zinc/77/45/08/1059774508.db2.gz WBJSLYQSWMEZTL-ZDQFFALBSA-N 0 0 547.633 3.496 40 30 KGEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(OC)c1O ZINC000408945219 1059004299 /nfs/dbraw/zinc/00/42/99/1059004299.db2.gz NFKAQRPODNUHSP-KXERKJKRSA-N 0 0 550.633 3.258 40 30 KGEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(OC)c1O ZINC000408945221 1059773875 /nfs/dbraw/zinc/77/38/75/1059773875.db2.gz NFKAQRPODNUHSP-RVEICJNFSA-N 0 0 550.633 3.258 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCC#N ZINC000408945462 1059037525 /nfs/dbraw/zinc/03/75/25/1059037525.db2.gz HOOAJNVBMIZPLV-BTDJXBJFSA-N 0 0 592.436 3.416 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCC#N ZINC000408945464 1059773169 /nfs/dbraw/zinc/77/31/69/1059773169.db2.gz HOOAJNVBMIZPLV-CVZXNWBBSA-N 0 0 592.436 3.416 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCC#N ZINC000408945466 1059773246 /nfs/dbraw/zinc/77/32/46/1059773246.db2.gz HOOAJNVBMIZPLV-FHCJZJPSSA-N 0 0 592.436 3.416 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCC#N ZINC000408945469 1059773342 /nfs/dbraw/zinc/77/33/42/1059773342.db2.gz HOOAJNVBMIZPLV-MOLFJZQESA-N 0 0 592.436 3.416 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCC(C)C)c(OC)c1 ZINC000408945572 1059773320 /nfs/dbraw/zinc/77/33/20/1059773320.db2.gz HTZSPTBHEYRIEN-KDPKLCKZSA-N 0 0 570.643 3.251 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCC(C)C)c(OC)c1 ZINC000408945575 1059773360 /nfs/dbraw/zinc/77/33/60/1059773360.db2.gz HTZSPTBHEYRIEN-LYBDBYGXSA-N 0 0 570.643 3.251 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCC(C)C)c(OC)c1 ZINC000408945578 1059773941 /nfs/dbraw/zinc/77/39/41/1059773941.db2.gz HTZSPTBHEYRIEN-OQBWMJACSA-N 0 0 570.643 3.251 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCC(C)C)c(OC)c1 ZINC000408945579 1059773821 /nfs/dbraw/zinc/77/38/21/1059773821.db2.gz HTZSPTBHEYRIEN-SWRZSAMHSA-N 0 0 570.643 3.251 40 30 KGEBRN C#CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(I)cc1OC ZINC000408945856 1059773272 /nfs/dbraw/zinc/77/32/72/1059773272.db2.gz OEDANJZEPFGBSJ-BZNKKWMXSA-N 0 0 674.513 3.441 40 30 KGEBRN C#CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(I)cc1OC ZINC000408945860 1059773190 /nfs/dbraw/zinc/77/31/90/1059773190.db2.gz OEDANJZEPFGBSJ-TZPPZLRXSA-N 0 0 674.513 3.441 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 ZINC000408946011 1059772781 /nfs/dbraw/zinc/77/27/81/1059772781.db2.gz HZRLYOVFNTTYIH-FACGKSROSA-N 0 0 609.592 3.384 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 ZINC000408946014 1059772762 /nfs/dbraw/zinc/77/27/62/1059772762.db2.gz HZRLYOVFNTTYIH-IVXWIHHPSA-N 0 0 609.592 3.384 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 ZINC000408946017 1059772632 /nfs/dbraw/zinc/77/26/32/1059772632.db2.gz HZRLYOVFNTTYIH-MQSIPVOJSA-N 0 0 609.592 3.384 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 ZINC000408946019 1059004273 /nfs/dbraw/zinc/00/42/73/1059004273.db2.gz HZRLYOVFNTTYIH-WTVUJOPASA-N 0 0 609.592 3.384 40 30 KGEBRN CCCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408946062 1059037504 /nfs/dbraw/zinc/03/75/04/1059037504.db2.gz IBDOVRNFMVDKDL-AVMFPXLXSA-N 0 0 570.643 3.395 40 30 KGEBRN CCCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408946064 1059037912 /nfs/dbraw/zinc/03/79/12/1059037912.db2.gz IBDOVRNFMVDKDL-PSTCCKRPSA-N 0 0 570.643 3.395 40 30 KGEBRN CCCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408946066 1059772136 /nfs/dbraw/zinc/77/21/36/1059772136.db2.gz IBDOVRNFMVDKDL-XQGAZVOYSA-N 0 0 570.643 3.395 40 30 KGEBRN CCCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408946068 1059037894 /nfs/dbraw/zinc/03/78/94/1059037894.db2.gz IBDOVRNFMVDKDL-ZXLOOTFSSA-N 0 0 570.643 3.395 40 30 KGEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC#N)c(OC)c4)c(=O)n32)cc1OCC ZINC000408946080 1059772085 /nfs/dbraw/zinc/77/20/85/1059772085.db2.gz OUVFVSSYPXPXOJ-HYIDZWCSSA-N 0 0 675.501 3.331 40 30 KGEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC#N)c(OC)c4)c(=O)n32)cc1OCC ZINC000408946082 1059772718 /nfs/dbraw/zinc/77/27/18/1059772718.db2.gz OUVFVSSYPXPXOJ-XKKBFUJGSA-N 0 0 675.501 3.331 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC#N)c(OCC)c1 ZINC000408946196 1059771624 /nfs/dbraw/zinc/77/16/24/1059771624.db2.gz IFNQDXSSNOHFRW-CJKHVQTFSA-N 0 0 693.495 3.113 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC#N)c(OCC)c1 ZINC000408946198 1059771588 /nfs/dbraw/zinc/77/15/88/1059771588.db2.gz IFNQDXSSNOHFRW-LDWMVPOBSA-N 0 0 693.495 3.113 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC#N)c(OCC)c1 ZINC000408946200 1059037871 /nfs/dbraw/zinc/03/78/71/1059037871.db2.gz IFNQDXSSNOHFRW-PPJBBHGOSA-N 0 0 693.495 3.113 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC#N)c(OCC)c1 ZINC000408946202 1059037781 /nfs/dbraw/zinc/03/77/81/1059037781.db2.gz IFNQDXSSNOHFRW-QAPZNRJBSA-N 0 0 693.495 3.113 40 30 KGEBRN CCOC(=O)Cn1c(C)c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408946300 1059772151 /nfs/dbraw/zinc/77/21/51/1059772151.db2.gz INDNWCBEFRCLJF-AXDLUVTRSA-N 0 0 607.664 3.033 40 30 KGEBRN CCOC(=O)Cn1c(C)c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408946304 1059772052 /nfs/dbraw/zinc/77/20/52/1059772052.db2.gz INDNWCBEFRCLJF-IPFUQCIGSA-N 0 0 607.664 3.033 40 30 KGEBRN CCOC(=O)Cn1c(C)c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408946306 1059772104 /nfs/dbraw/zinc/77/21/04/1059772104.db2.gz INDNWCBEFRCLJF-IXKILSOOSA-N 0 0 607.664 3.033 40 30 KGEBRN CCOC(=O)Cn1c(C)c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408946307 1059039221 /nfs/dbraw/zinc/03/92/21/1059039221.db2.gz INDNWCBEFRCLJF-NDWKWZCTSA-N 0 0 607.664 3.033 40 30 KGEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC ZINC000408946345 1059771464 /nfs/dbraw/zinc/77/14/64/1059771464.db2.gz IORBBVOSDRUOCT-AVMFPXLXSA-N 0 0 552.628 3.334 40 30 KGEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC ZINC000408946348 1059039198 /nfs/dbraw/zinc/03/91/98/1059039198.db2.gz IORBBVOSDRUOCT-PSTCCKRPSA-N 0 0 552.628 3.334 40 30 KGEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC ZINC000408946349 1059039155 /nfs/dbraw/zinc/03/91/55/1059039155.db2.gz IORBBVOSDRUOCT-XQGAZVOYSA-N 0 0 552.628 3.334 40 30 KGEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC ZINC000408946350 1059771477 /nfs/dbraw/zinc/77/14/77/1059771477.db2.gz IORBBVOSDRUOCT-ZXLOOTFSSA-N 0 0 552.628 3.334 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408946502 1059039177 /nfs/dbraw/zinc/03/91/77/1059039177.db2.gz YQGFUTSEHMZCMB-QKSFETHESA-N 0 0 517.607 3.488 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408946507 1059771549 /nfs/dbraw/zinc/77/15/49/1059771549.db2.gz YQGFUTSEHMZCMB-ZDQFFALBSA-N 0 0 517.607 3.488 40 30 KGEBRN CCOc1ccc(Cl)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408946830 1059770917 /nfs/dbraw/zinc/77/09/17/1059770917.db2.gz IQLCPLURTSZGST-ISCPBMQLSA-N 0 0 547.008 3.259 40 30 KGEBRN CCOc1ccc(Cl)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408946831 1059770876 /nfs/dbraw/zinc/77/08/76/1059770876.db2.gz IQLCPLURTSZGST-TYCOOVILSA-N 0 0 547.008 3.259 40 30 KGEBRN CCOc1ccc(Cl)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408946832 1059039494 /nfs/dbraw/zinc/03/94/94/1059039494.db2.gz IQLCPLURTSZGST-URFBPECUSA-N 0 0 547.008 3.259 40 30 KGEBRN CCOc1ccc(Cl)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408946833 1059770895 /nfs/dbraw/zinc/77/08/95/1059770895.db2.gz IQLCPLURTSZGST-VTYABZDSSA-N 0 0 547.008 3.259 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(I)c1 ZINC000408946842 1059039578 /nfs/dbraw/zinc/03/95/78/1059039578.db2.gz ISFPRKKOOLGJMV-CJDZJEGHSA-N 0 0 761.364 3.126 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(I)c1 ZINC000408946843 1059039443 /nfs/dbraw/zinc/03/94/43/1059039443.db2.gz ISFPRKKOOLGJMV-DNBJFUAZSA-N 0 0 761.364 3.126 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(I)c1 ZINC000408946844 1059004732 /nfs/dbraw/zinc/00/47/32/1059004732.db2.gz ISFPRKKOOLGJMV-GRLLSRNWSA-N 0 0 761.364 3.126 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(I)c1 ZINC000408946845 1059771569 /nfs/dbraw/zinc/77/15/69/1059771569.db2.gz ISFPRKKOOLGJMV-RCMVPCBXSA-N 0 0 761.364 3.126 40 30 KGEBRN CCOC(=O)COc1c(I)cc(I)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408946900 1059771512 /nfs/dbraw/zinc/77/15/12/1059771512.db2.gz IXKHGIWWCIWMHF-BYBGFGDRSA-N 0 0 822.391 3.358 40 30 KGEBRN CCOC(=O)COc1c(I)cc(I)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408946902 1059771607 /nfs/dbraw/zinc/77/16/07/1059771607.db2.gz IXKHGIWWCIWMHF-HCDPAWRRSA-N 0 0 822.391 3.358 40 30 KGEBRN CCOC(=O)COc1c(I)cc(I)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408946903 1059771532 /nfs/dbraw/zinc/77/15/32/1059771532.db2.gz IXKHGIWWCIWMHF-MKVNXLJRSA-N 0 0 822.391 3.358 40 30 KGEBRN CCOC(=O)COc1c(I)cc(I)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408946905 1059771495 /nfs/dbraw/zinc/77/14/95/1059771495.db2.gz IXKHGIWWCIWMHF-TZPCRGSESA-N 0 0 822.391 3.358 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000408946940 1059770304 /nfs/dbraw/zinc/77/03/04/1059770304.db2.gz IYNHENDFOLDWGA-BVTFRONHSA-N 0 0 619.675 3.401 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000408946946 1059771018 /nfs/dbraw/zinc/77/10/18/1059771018.db2.gz IYNHENDFOLDWGA-KJKYMQMDSA-N 0 0 619.675 3.401 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000408946950 1059039556 /nfs/dbraw/zinc/03/95/56/1059039556.db2.gz IYNHENDFOLDWGA-OCXLSZSESA-N 0 0 619.675 3.401 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000408946953 1059770810 /nfs/dbraw/zinc/77/08/10/1059770810.db2.gz IYNHENDFOLDWGA-QPFMNXPFSA-N 0 0 619.675 3.401 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC(C)=O)c(OCC)c1 ZINC000408947330 1059004584 /nfs/dbraw/zinc/00/45/84/1059004584.db2.gz JAGOYHGUVBIXSI-FQTPHSNDSA-N 0 0 649.495 3.294 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC(C)=O)c(OCC)c1 ZINC000408947333 1059789831 /nfs/dbraw/zinc/78/98/31/1059789831.db2.gz JAGOYHGUVBIXSI-GIDJDQATSA-N 0 0 649.495 3.294 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC(C)=O)c(OCC)c1 ZINC000408947335 1059789632 /nfs/dbraw/zinc/78/96/32/1059789632.db2.gz JAGOYHGUVBIXSI-PNPAMGJOSA-N 0 0 649.495 3.294 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC(C)=O)c(OCC)c1 ZINC000408947337 1059789708 /nfs/dbraw/zinc/78/97/08/1059789708.db2.gz JAGOYHGUVBIXSI-SIRAEACFSA-N 0 0 649.495 3.294 40 30 KGEBRN C=CCOc1c(I)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408947352 1059789727 /nfs/dbraw/zinc/78/97/27/1059789727.db2.gz JAWVFFHYUDZIRD-AWQTYOERSA-N 0 0 680.496 3.385 40 30 KGEBRN C=CCOc1c(I)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408947354 1059789809 /nfs/dbraw/zinc/78/98/09/1059789809.db2.gz JAWVFFHYUDZIRD-FZBVERTKSA-N 0 0 680.496 3.385 40 30 KGEBRN C=CCOc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408947356 1059039600 /nfs/dbraw/zinc/03/96/00/1059039600.db2.gz JAWVFFHYUDZIRD-QERSVGBZSA-N 0 0 680.496 3.385 40 30 KGEBRN C=CCOc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408947358 1059789111 /nfs/dbraw/zinc/78/91/11/1059789111.db2.gz JAWVFFHYUDZIRD-ZSGIBSASSA-N 0 0 680.496 3.385 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(O[C@H](C)CC)c(OC)c1 ZINC000408947410 1059039468 /nfs/dbraw/zinc/03/94/68/1059039468.db2.gz JEDKHOSGUTYIFX-WADBCVGASA-N 0 0 570.643 3.393 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(O[C@@H](C)CC)c(OC)c1 ZINC000408947412 1059039516 /nfs/dbraw/zinc/03/95/16/1059039516.db2.gz JEDKHOSGUTYIFX-WGWAMASTSA-N 0 0 570.643 3.393 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(O[C@@H](C)CC)c(OC)c1 ZINC000408947413 1059789039 /nfs/dbraw/zinc/78/90/39/1059789039.db2.gz JEDKHOSGUTYIFX-XMDDALKESA-N 0 0 570.643 3.393 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(O[C@H](C)CC)c(OC)c1 ZINC000408947415 1059039909 /nfs/dbraw/zinc/03/99/09/1059039909.db2.gz JEDKHOSGUTYIFX-YPZHFQQUSA-N 0 0 570.643 3.393 40 30 KGEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC#N)c(OC)c4)c(=O)n32)cc1OCC ZINC000408947506 1059789151 /nfs/dbraw/zinc/78/91/51/1059789151.db2.gz QGGHHJGOHZGDSM-HYIDZWCSSA-N 0 0 628.501 3.489 40 30 KGEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC#N)c(OC)c4)c(=O)n32)cc1OCC ZINC000408947508 1059789131 /nfs/dbraw/zinc/78/91/31/1059789131.db2.gz QGGHHJGOHZGDSM-XKKBFUJGSA-N 0 0 628.501 3.489 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000408947853 1059040055 /nfs/dbraw/zinc/04/00/55/1059040055.db2.gz JWSMIFTVOVUOEA-NMPRLOORSA-N 0 0 605.648 3.343 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000408947858 1059789171 /nfs/dbraw/zinc/78/91/71/1059789171.db2.gz JWSMIFTVOVUOEA-RBROWCAMSA-N 0 0 605.648 3.343 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000408947862 1059789059 /nfs/dbraw/zinc/78/90/59/1059789059.db2.gz JWSMIFTVOVUOEA-WLRGZACFSA-N 0 0 605.648 3.343 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000408947865 1059789017 /nfs/dbraw/zinc/78/90/17/1059789017.db2.gz JWSMIFTVOVUOEA-XKNMVASOSA-N 0 0 605.648 3.343 40 30 KGEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(OC)c4OCC#N)c(=O)n32)cc1OCC ZINC000408948397 1059787878 /nfs/dbraw/zinc/78/78/78/1059787878.db2.gz RKQWBSFMRWFDMU-JDQXFBDKSA-N 0 0 675.501 3.331 40 30 KGEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(OC)c4OCC#N)c(=O)n32)cc1OCC ZINC000408948398 1059787901 /nfs/dbraw/zinc/78/79/01/1059787901.db2.gz RKQWBSFMRWFDMU-NXAROGRYSA-N 0 0 675.501 3.331 40 30 KGEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(OC)c4OCC#N)c(=O)n32)cc1OCC ZINC000408948404 1059787997 /nfs/dbraw/zinc/78/79/97/1059787997.db2.gz RLAYPKJHKWMWNO-JDQXFBDKSA-N 0 0 628.501 3.489 40 30 KGEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(OC)c4OCC#N)c(=O)n32)cc1OCC ZINC000408948406 1059787973 /nfs/dbraw/zinc/78/79/73/1059787973.db2.gz RLAYPKJHKWMWNO-NXAROGRYSA-N 0 0 628.501 3.489 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Br)s1 ZINC000408948477 1059788626 /nfs/dbraw/zinc/78/86/26/1059788626.db2.gz KISYVYRHFITNDY-NANPPUGASA-N 0 0 553.435 3.031 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Br)s1 ZINC000408948480 1059040009 /nfs/dbraw/zinc/04/00/09/1059040009.db2.gz KISYVYRHFITNDY-RXPUKQNLSA-N 0 0 553.435 3.031 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Br)s1 ZINC000408948482 1059788556 /nfs/dbraw/zinc/78/85/56/1059788556.db2.gz KISYVYRHFITNDY-YNKHZBRRSA-N 0 0 553.435 3.031 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Br)s1 ZINC000408948484 1059788533 /nfs/dbraw/zinc/78/85/33/1059788533.db2.gz KISYVYRHFITNDY-ZCTVUFTBSA-N 0 0 553.435 3.031 40 30 KGEBRN C=CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-] ZINC000408948511 1059788603 /nfs/dbraw/zinc/78/86/03/1059788603.db2.gz KOWXPYSQSPAACQ-ALUZHPLXSA-N 0 0 648.467 3.443 40 30 KGEBRN C=CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-] ZINC000408948513 1059788457 /nfs/dbraw/zinc/78/84/57/1059788457.db2.gz KOWXPYSQSPAACQ-DEKUJFBWSA-N 0 0 648.467 3.443 40 30 KGEBRN C=CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-] ZINC000408948515 1059788647 /nfs/dbraw/zinc/78/86/47/1059788647.db2.gz KOWXPYSQSPAACQ-HMWBBYHBSA-N 0 0 648.467 3.443 40 30 KGEBRN C=CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-] ZINC000408948516 1059788395 /nfs/dbraw/zinc/78/83/95/1059788395.db2.gz KOWXPYSQSPAACQ-RLWAIIQZSA-N 0 0 648.467 3.443 40 30 KGEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408948575 1059787549 /nfs/dbraw/zinc/78/75/49/1059787549.db2.gz KSSCGQJFOYINRO-AHAKOZCPSA-N 0 0 649.097 3.201 40 30 KGEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408948578 1059787426 /nfs/dbraw/zinc/78/74/26/1059787426.db2.gz KSSCGQJFOYINRO-CTEWCKCRSA-N 0 0 649.097 3.201 40 30 KGEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408948581 1059040512 /nfs/dbraw/zinc/04/05/12/1059040512.db2.gz KSSCGQJFOYINRO-OBRWVAIBSA-N 0 0 649.097 3.201 40 30 KGEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408948584 1059787452 /nfs/dbraw/zinc/78/74/52/1059787452.db2.gz KSSCGQJFOYINRO-OSTCCFEFSA-N 0 0 649.097 3.201 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(C(F)(F)F)cc1 ZINC000408948593 1059787358 /nfs/dbraw/zinc/78/73/58/1059787358.db2.gz KTJXOKJUPJYZSO-DESWSBHXSA-N 0 0 536.507 3.226 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(C(F)(F)F)cc1 ZINC000408948595 1059040234 /nfs/dbraw/zinc/04/02/34/1059040234.db2.gz KTJXOKJUPJYZSO-LCNZKQGWSA-N 0 0 536.507 3.226 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(C(F)(F)F)cc1 ZINC000408948596 1059004779 /nfs/dbraw/zinc/00/47/79/1059004779.db2.gz KTJXOKJUPJYZSO-MBXDQUSHSA-N 0 0 536.507 3.226 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(C(F)(F)F)cc1 ZINC000408948599 1059787942 /nfs/dbraw/zinc/78/79/42/1059787942.db2.gz KTJXOKJUPJYZSO-YIJGJULPSA-N 0 0 536.507 3.226 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC)c(OC)c1 ZINC000408948642 1059788081 /nfs/dbraw/zinc/78/80/81/1059788081.db2.gz KVZZOHAQLAVRLV-ALUZHPLXSA-N 0 0 668.485 3.219 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC)c(OC)c1 ZINC000408948645 1059788059 /nfs/dbraw/zinc/78/80/59/1059788059.db2.gz KVZZOHAQLAVRLV-DEKUJFBWSA-N 0 0 668.485 3.219 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC)c(OC)c1 ZINC000408948647 1059787920 /nfs/dbraw/zinc/78/79/20/1059787920.db2.gz KVZZOHAQLAVRLV-HMWBBYHBSA-N 0 0 668.485 3.219 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC)c(OC)c1 ZINC000408948650 1059788020 /nfs/dbraw/zinc/78/80/20/1059788020.db2.gz KVZZOHAQLAVRLV-RLWAIIQZSA-N 0 0 668.485 3.219 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000408948803 1059787495 /nfs/dbraw/zinc/78/74/95/1059787495.db2.gz KWVRCQIUPHPCCB-BVTFRONHSA-N 0 0 619.675 3.401 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000408948805 1059040304 /nfs/dbraw/zinc/04/03/04/1059040304.db2.gz KWVRCQIUPHPCCB-KJKYMQMDSA-N 0 0 619.675 3.401 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000408948807 1059787472 /nfs/dbraw/zinc/78/74/72/1059787472.db2.gz KWVRCQIUPHPCCB-OCXLSZSESA-N 0 0 619.675 3.401 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000408948808 1059040539 /nfs/dbraw/zinc/04/05/39/1059040539.db2.gz KWVRCQIUPHPCCB-QPFMNXPFSA-N 0 0 619.675 3.401 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1OCC ZINC000408948823 1059040399 /nfs/dbraw/zinc/04/03/99/1059040399.db2.gz KXPYBVSIJMNICC-ALUZHPLXSA-N 0 0 668.485 3.219 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1OCC ZINC000408948824 1059787536 /nfs/dbraw/zinc/78/75/36/1059787536.db2.gz KXPYBVSIJMNICC-DEKUJFBWSA-N 0 0 668.485 3.219 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1OCC ZINC000408948826 1059787515 /nfs/dbraw/zinc/78/75/15/1059787515.db2.gz KXPYBVSIJMNICC-HMWBBYHBSA-N 0 0 668.485 3.219 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1OCC ZINC000408948828 1059040378 /nfs/dbraw/zinc/04/03/78/1059040378.db2.gz KXPYBVSIJMNICC-RLWAIIQZSA-N 0 0 668.485 3.219 40 30 KGEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408949130 1059786895 /nfs/dbraw/zinc/78/68/95/1059786895.db2.gz RZOXQDGYMAMRHH-KXERKJKRSA-N 0 0 674.513 3.441 40 30 KGEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408949133 1059786854 /nfs/dbraw/zinc/78/68/54/1059786854.db2.gz RZOXQDGYMAMRHH-RVEICJNFSA-N 0 0 674.513 3.441 40 30 KGEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCC#N)cc4Br)c(=O)n32)cc1OCC ZINC000408949154 1059786876 /nfs/dbraw/zinc/78/68/76/1059786876.db2.gz SBEPBSTUEFUTMX-RMSJAVSJSA-N 0 0 628.501 3.489 40 30 KGEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCC#N)cc4Br)c(=O)n32)cc1OCC ZINC000408949158 1059786957 /nfs/dbraw/zinc/78/69/57/1059786957.db2.gz SBEPBSTUEFUTMX-WRPBSQTBSA-N 0 0 628.501 3.489 40 30 KGEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)c1O ZINC000408949502 1059038647 /nfs/dbraw/zinc/03/86/47/1059038647.db2.gz LPEQIXPACHLOPL-LZUCMQGPSA-N 0 0 607.458 3.074 40 30 KGEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)c1O ZINC000408949507 1059786719 /nfs/dbraw/zinc/78/67/19/1059786719.db2.gz LPEQIXPACHLOPL-PCGMTTANSA-N 0 0 607.458 3.074 40 30 KGEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)c1O ZINC000408949511 1059786816 /nfs/dbraw/zinc/78/68/16/1059786816.db2.gz LPEQIXPACHLOPL-PZGWMSGBSA-N 0 0 607.458 3.074 40 30 KGEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)c1O ZINC000408949514 1059038780 /nfs/dbraw/zinc/03/87/80/1059038780.db2.gz LPEQIXPACHLOPL-QPXJVWDBSA-N 0 0 607.458 3.074 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC(C)=O)c(OCC)c1 ZINC000408949729 1059038602 /nfs/dbraw/zinc/03/86/02/1059038602.db2.gz LTZDBPWTWLTPGO-FQTPHSNDSA-N 0 0 696.495 3.136 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC(C)=O)c(OCC)c1 ZINC000408949731 1059786185 /nfs/dbraw/zinc/78/61/85/1059786185.db2.gz LTZDBPWTWLTPGO-GIDJDQATSA-N 0 0 696.495 3.136 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC(C)=O)c(OCC)c1 ZINC000408949734 1059038824 /nfs/dbraw/zinc/03/88/24/1059038824.db2.gz LTZDBPWTWLTPGO-PNPAMGJOSA-N 0 0 696.495 3.136 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC(C)=O)c(OCC)c1 ZINC000408949738 1059786317 /nfs/dbraw/zinc/78/63/17/1059786317.db2.gz LTZDBPWTWLTPGO-SIRAEACFSA-N 0 0 696.495 3.136 40 30 KGEBRN C#CCn1c(C)c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408949740 1059038627 /nfs/dbraw/zinc/03/86/27/1059038627.db2.gz LUHPWQWVJMIHNU-GFGQXTMDSA-N 0 0 559.623 3.103 40 30 KGEBRN C#CCn1c(C)c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408949746 1059786342 /nfs/dbraw/zinc/78/63/42/1059786342.db2.gz LUHPWQWVJMIHNU-IVTKQEOZSA-N 0 0 559.623 3.103 40 30 KGEBRN C#CCn1c(C)c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408949750 1059786253 /nfs/dbraw/zinc/78/62/53/1059786253.db2.gz LUHPWQWVJMIHNU-PXEYIQBTSA-N 0 0 559.623 3.103 40 30 KGEBRN C#CCn1c(C)c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408949755 1059038841 /nfs/dbraw/zinc/03/88/41/1059038841.db2.gz LUHPWQWVJMIHNU-YFIDANDQSA-N 0 0 559.623 3.103 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC#N)c(I)c1 ZINC000408950169 1059786212 /nfs/dbraw/zinc/78/62/12/1059786212.db2.gz MDESHZJHQXABHE-BGINGSEISA-N 0 0 775.338 3.319 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC#N)c(I)c1 ZINC000408950175 1059786159 /nfs/dbraw/zinc/78/61/59/1059786159.db2.gz MDESHZJHQXABHE-OOGLCOOISA-N 0 0 775.338 3.319 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC#N)c(I)c1 ZINC000408950180 1059038734 /nfs/dbraw/zinc/03/87/34/1059038734.db2.gz MDESHZJHQXABHE-RCBWWDFLSA-N 0 0 775.338 3.319 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC#N)c(I)c1 ZINC000408950183 1059786276 /nfs/dbraw/zinc/78/62/76/1059786276.db2.gz MDESHZJHQXABHE-XZHODTPBSA-N 0 0 775.338 3.319 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(O[C@@H](C)CC)cc1 ZINC000408950287 1059039043 /nfs/dbraw/zinc/03/90/43/1059039043.db2.gz MGCKKKYAYSAEMQ-CINRUHRRSA-N 0 0 540.617 3.384 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(O[C@@H](C)CC)cc1 ZINC000408950290 1059039023 /nfs/dbraw/zinc/03/90/23/1059039023.db2.gz MGCKKKYAYSAEMQ-MVTARBOWSA-N 0 0 540.617 3.384 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(O[C@H](C)CC)cc1 ZINC000408950292 1059785830 /nfs/dbraw/zinc/78/58/30/1059785830.db2.gz MGCKKKYAYSAEMQ-OLBLRZCSSA-N 0 0 540.617 3.384 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(O[C@H](C)CC)cc1 ZINC000408950295 1059786364 /nfs/dbraw/zinc/78/63/64/1059786364.db2.gz MGCKKKYAYSAEMQ-WUMORSQQSA-N 0 0 540.617 3.384 40 30 KGEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OC ZINC000408950709 1059785948 /nfs/dbraw/zinc/78/59/48/1059785948.db2.gz MMRTZSIYSOLZAR-CQEDHVPFSA-N 0 0 582.654 3.343 40 30 KGEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OC ZINC000408950712 1059039083 /nfs/dbraw/zinc/03/90/83/1059039083.db2.gz MMRTZSIYSOLZAR-KYPUMYEZSA-N 0 0 582.654 3.343 40 30 KGEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OC ZINC000408950716 1059785814 /nfs/dbraw/zinc/78/58/14/1059785814.db2.gz MMRTZSIYSOLZAR-LVKUEEFKSA-N 0 0 582.654 3.343 40 30 KGEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OC ZINC000408950719 1059785848 /nfs/dbraw/zinc/78/58/48/1059785848.db2.gz MMRTZSIYSOLZAR-NCUQGLLISA-N 0 0 582.654 3.343 40 30 KGEBRN CCCCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408950826 1059785964 /nfs/dbraw/zinc/78/59/64/1059785964.db2.gz MRBWJLCXOXPKGR-FWMHORCBSA-N 0 0 540.617 3.386 40 30 KGEBRN CCCCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408950841 1059785914 /nfs/dbraw/zinc/78/59/14/1059785914.db2.gz MRBWJLCXOXPKGR-HQVXRRDNSA-N 0 0 540.617 3.386 40 30 KGEBRN CCCCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408950844 1059785933 /nfs/dbraw/zinc/78/59/33/1059785933.db2.gz MRBWJLCXOXPKGR-UNUWJANVSA-N 0 0 540.617 3.386 40 30 KGEBRN CCCCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408950849 1059785864 /nfs/dbraw/zinc/78/58/64/1059785864.db2.gz MRBWJLCXOXPKGR-WWOWRYLLSA-N 0 0 540.617 3.386 40 30 KGEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408950886 1059785315 /nfs/dbraw/zinc/78/53/15/1059785315.db2.gz UJYUXLLNYBZJFO-HZRUTDPJSA-N 0 0 520.607 3.380 40 30 KGEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408950889 1059785794 /nfs/dbraw/zinc/78/57/94/1059785794.db2.gz UJYUXLLNYBZJFO-NHOMFQCRSA-N 0 0 520.607 3.380 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408951388 1059041471 /nfs/dbraw/zinc/04/14/71/1059041471.db2.gz NEUUAHSQLSHVKH-HLBKOFPLSA-N 0 0 579.566 3.375 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408951392 1059785249 /nfs/dbraw/zinc/78/52/49/1059785249.db2.gz NEUUAHSQLSHVKH-JFCQRZRWSA-N 0 0 579.566 3.375 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408951396 1059785470 /nfs/dbraw/zinc/78/54/70/1059785470.db2.gz NEUUAHSQLSHVKH-UJPZYCPGSA-N 0 0 579.566 3.375 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408951399 1059785405 /nfs/dbraw/zinc/78/54/05/1059785405.db2.gz NEUUAHSQLSHVKH-WAQZCJMBSA-N 0 0 579.566 3.375 40 30 KGEBRN C#CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c2ccccc21 ZINC000408951550 1059785447 /nfs/dbraw/zinc/78/54/47/1059785447.db2.gz UMSFMFKCMXUZKP-APDQFWHYSA-N 0 0 541.629 3.403 40 30 KGEBRN C#CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c2ccccc21 ZINC000408951551 1059041327 /nfs/dbraw/zinc/04/13/27/1059041327.db2.gz UMSFMFKCMXUZKP-WYRUCBEGSA-N 0 0 541.629 3.403 40 30 KGEBRN CCOc1ccc(Br)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408951987 1059041898 /nfs/dbraw/zinc/04/18/98/1059041898.db2.gz NSDWDJILOYTTEM-IRWRDOPVSA-N 0 0 591.459 3.368 40 30 KGEBRN CCOc1ccc(Br)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408951990 1059784836 /nfs/dbraw/zinc/78/48/36/1059784836.db2.gz NSDWDJILOYTTEM-IYYUSKDXSA-N 0 0 591.459 3.368 40 30 KGEBRN CCOc1ccc(Br)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408951993 1059784794 /nfs/dbraw/zinc/78/47/94/1059784794.db2.gz NSDWDJILOYTTEM-JKUJXJLCSA-N 0 0 591.459 3.368 40 30 KGEBRN CCOc1ccc(Br)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408951995 1059784710 /nfs/dbraw/zinc/78/47/10/1059784710.db2.gz NSDWDJILOYTTEM-RLWCNIOGSA-N 0 0 591.459 3.368 40 30 KGEBRN C#CCOc1c(I)cc(I)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408952312 1059784671 /nfs/dbraw/zinc/78/46/71/1059784671.db2.gz NYMFOSYDYGBQEH-AJGOVQJNSA-N 0 0 774.350 3.428 40 30 KGEBRN C#CCOc1c(I)cc(I)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408952315 1059784654 /nfs/dbraw/zinc/78/46/54/1059784654.db2.gz NYMFOSYDYGBQEH-PAMIDSDESA-N 0 0 774.350 3.428 40 30 KGEBRN C#CCOc1c(I)cc(I)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408952318 1059004560 /nfs/dbraw/zinc/00/45/60/1059004560.db2.gz NYMFOSYDYGBQEH-RXKYXHDOSA-N 0 0 774.350 3.428 40 30 KGEBRN C#CCOc1c(I)cc(I)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408952321 1059784056 /nfs/dbraw/zinc/78/40/56/1059784056.db2.gz NYMFOSYDYGBQEH-UALNODDKSA-N 0 0 774.350 3.428 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC#N)c(OCC)c1 ZINC000408952416 1059784046 /nfs/dbraw/zinc/78/40/46/1059784046.db2.gz OBHAIPBPAZRESZ-CJKHVQTFSA-N 0 0 646.495 3.271 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC#N)c(OCC)c1 ZINC000408952420 1059784019 /nfs/dbraw/zinc/78/40/19/1059784019.db2.gz OBHAIPBPAZRESZ-LDWMVPOBSA-N 0 0 646.495 3.271 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC#N)c(OCC)c1 ZINC000408952422 1059784084 /nfs/dbraw/zinc/78/40/84/1059784084.db2.gz OBHAIPBPAZRESZ-PPJBBHGOSA-N 0 0 646.495 3.271 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC#N)c(OCC)c1 ZINC000408952425 1059784071 /nfs/dbraw/zinc/78/40/71/1059784071.db2.gz OBHAIPBPAZRESZ-QAPZNRJBSA-N 0 0 646.495 3.271 40 30 KGEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCC#N)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408952571 1059784144 /nfs/dbraw/zinc/78/41/44/1059784144.db2.gz VJHWPVWQKVFAIS-GSFLASDGSA-N 0 0 643.472 3.389 40 30 KGEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCC#N)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408952577 1059784099 /nfs/dbraw/zinc/78/40/99/1059784099.db2.gz VJHWPVWQKVFAIS-PKGQOAHCSA-N 0 0 643.472 3.389 40 30 KGEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cc(Cl)ccc1OC)C(C(=O)OC)=C(C)N=2 ZINC000408952729 1059783398 /nfs/dbraw/zinc/78/33/98/1059783398.db2.gz VPWPTBREWHBRNN-QCHPHUCNSA-N 0 0 508.983 3.082 40 30 KGEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cc(Cl)ccc1OC)C(C(=O)OC)=C(C)N=2 ZINC000408952731 1059784183 /nfs/dbraw/zinc/78/41/83/1059784183.db2.gz VPWPTBREWHBRNN-VZIOXZNFSA-N 0 0 508.983 3.082 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(O)c(Br)c1Br ZINC000408952859 1059040260 /nfs/dbraw/zinc/04/02/60/1059040260.db2.gz OCZZAZHFPRZITC-AFBADRKMSA-N 0 0 672.327 3.446 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(O)c(Br)c1Br ZINC000408952860 1059783350 /nfs/dbraw/zinc/78/33/50/1059783350.db2.gz OCZZAZHFPRZITC-BEBBLRIWSA-N 0 0 672.327 3.446 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(O)c(Br)c1Br ZINC000408952861 1059783513 /nfs/dbraw/zinc/78/35/13/1059783513.db2.gz OCZZAZHFPRZITC-DZEQTKDHSA-N 0 0 672.327 3.446 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(O)c(Br)c1Br ZINC000408952862 1059041066 /nfs/dbraw/zinc/04/10/66/1059041066.db2.gz OCZZAZHFPRZITC-LNLUCYCASA-N 0 0 672.327 3.446 40 30 KGEBRN C#CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408952914 1059782885 /nfs/dbraw/zinc/78/28/85/1059782885.db2.gz OHWDMUWRYKUVNE-AZGBJLFWSA-N 0 0 645.507 3.380 40 30 KGEBRN C#CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408952917 1059041103 /nfs/dbraw/zinc/04/11/03/1059041103.db2.gz OHWDMUWRYKUVNE-LZSVTYFGSA-N 0 0 645.507 3.380 40 30 KGEBRN C#CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408952920 1059782925 /nfs/dbraw/zinc/78/29/25/1059782925.db2.gz OHWDMUWRYKUVNE-QWPGXGNOSA-N 0 0 645.507 3.380 40 30 KGEBRN C#CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408952923 1059782864 /nfs/dbraw/zinc/78/28/64/1059782864.db2.gz OHWDMUWRYKUVNE-VQUZJZKESA-N 0 0 645.507 3.380 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(Br)c1 ZINC000408952925 1059782964 /nfs/dbraw/zinc/78/29/64/1059782964.db2.gz OIFUCNCPELRWCD-CJDZJEGHSA-N 0 0 714.364 3.284 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(Br)c1 ZINC000408952931 1059040739 /nfs/dbraw/zinc/04/07/39/1059040739.db2.gz OIFUCNCPELRWCD-DNBJFUAZSA-N 0 0 714.364 3.284 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(Br)c1 ZINC000408952934 1059782982 /nfs/dbraw/zinc/78/29/82/1059782982.db2.gz OIFUCNCPELRWCD-GRLLSRNWSA-N 0 0 714.364 3.284 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(Br)c1 ZINC000408952936 1059782906 /nfs/dbraw/zinc/78/29/06/1059782906.db2.gz OIFUCNCPELRWCD-RCMVPCBXSA-N 0 0 714.364 3.284 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 ZINC000408953071 1059794221 /nfs/dbraw/zinc/79/42/21/1059794221.db2.gz ONEXIHYEWQNIMD-CDGVLIKTSA-N 0 0 618.643 3.435 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 ZINC000408953078 1059794403 /nfs/dbraw/zinc/79/44/03/1059794403.db2.gz ONEXIHYEWQNIMD-TVFFTBEISA-N 0 0 618.643 3.435 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 ZINC000408953083 1059794344 /nfs/dbraw/zinc/79/43/44/1059794344.db2.gz ONEXIHYEWQNIMD-XNVBXHQBSA-N 0 0 618.643 3.435 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 ZINC000408953088 1059794289 /nfs/dbraw/zinc/79/42/89/1059794289.db2.gz ONEXIHYEWQNIMD-XYRURYQLSA-N 0 0 618.643 3.435 40 30 KGEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC(C)C ZINC000408953592 1059794271 /nfs/dbraw/zinc/79/42/71/1059794271.db2.gz OTFAWESVGRAJNK-FTLAMCAWSA-N 0 0 570.643 3.393 40 30 KGEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC(C)C ZINC000408953594 1059794362 /nfs/dbraw/zinc/79/43/62/1059794362.db2.gz OTFAWESVGRAJNK-GCFPKEOMSA-N 0 0 570.643 3.393 40 30 KGEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC(C)C ZINC000408953596 1059041046 /nfs/dbraw/zinc/04/10/46/1059041046.db2.gz OTFAWESVGRAJNK-JQDFJLOASA-N 0 0 570.643 3.393 40 30 KGEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC(C)C ZINC000408953599 1059794305 /nfs/dbraw/zinc/79/43/05/1059794305.db2.gz OTFAWESVGRAJNK-LUVJPBDYSA-N 0 0 570.643 3.393 40 30 KGEBRN CCOc1cc(Br)c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408953689 1059793806 /nfs/dbraw/zinc/79/38/06/1059793806.db2.gz OWPPBSNWZVUXOK-DJPDHDLGSA-N 0 0 621.485 3.377 40 30 KGEBRN CCOc1cc(Br)c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408953692 1059793825 /nfs/dbraw/zinc/79/38/25/1059793825.db2.gz OWPPBSNWZVUXOK-HNJSRZKQSA-N 0 0 621.485 3.377 40 30 KGEBRN CCOc1cc(Br)c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408953694 1059793839 /nfs/dbraw/zinc/79/38/39/1059793839.db2.gz OWPPBSNWZVUXOK-ULGMLVIGSA-N 0 0 621.485 3.377 40 30 KGEBRN CCOc1cc(Br)c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408953697 1059793790 /nfs/dbraw/zinc/79/37/90/1059793790.db2.gz OWPPBSNWZVUXOK-XYEWMSKWSA-N 0 0 621.485 3.377 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(N(C)C)c(Br)c1 ZINC000408953819 1059040964 /nfs/dbraw/zinc/04/09/64/1059040964.db2.gz PEKUSOUZLAVKKO-IRWRDOPVSA-N 0 0 590.475 3.036 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(N(C)C)c(Br)c1 ZINC000408953821 1059793150 /nfs/dbraw/zinc/79/31/50/1059793150.db2.gz PEKUSOUZLAVKKO-IYYUSKDXSA-N 0 0 590.475 3.036 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(N(C)C)c(Br)c1 ZINC000408953823 1059793662 /nfs/dbraw/zinc/79/36/62/1059793662.db2.gz PEKUSOUZLAVKKO-JKUJXJLCSA-N 0 0 590.475 3.036 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(N(C)C)c(Br)c1 ZINC000408953825 1059041282 /nfs/dbraw/zinc/04/12/82/1059041282.db2.gz PEKUSOUZLAVKKO-RLWCNIOGSA-N 0 0 590.475 3.036 40 30 KGEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408954168 1059041367 /nfs/dbraw/zinc/04/13/67/1059041367.db2.gz PHICDDPEJVRPOK-AHAKOZCPSA-N 0 0 693.548 3.310 40 30 KGEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408954177 1059041449 /nfs/dbraw/zinc/04/14/49/1059041449.db2.gz PHICDDPEJVRPOK-CTEWCKCRSA-N 0 0 693.548 3.310 40 30 KGEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408954182 1059041493 /nfs/dbraw/zinc/04/14/93/1059041493.db2.gz PHICDDPEJVRPOK-OBRWVAIBSA-N 0 0 693.548 3.310 40 30 KGEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408954187 1059793085 /nfs/dbraw/zinc/79/30/85/1059793085.db2.gz PHICDDPEJVRPOK-OSTCCFEFSA-N 0 0 693.548 3.310 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OCC#N ZINC000408955316 1059041384 /nfs/dbraw/zinc/04/13/84/1059041384.db2.gz QITKNJRGXQJPRD-BTDJXBJFSA-N 0 0 775.338 3.319 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OCC#N ZINC000408955321 1059792476 /nfs/dbraw/zinc/79/24/76/1059792476.db2.gz QITKNJRGXQJPRD-CVZXNWBBSA-N 0 0 775.338 3.319 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OCC#N ZINC000408955326 1059792496 /nfs/dbraw/zinc/79/24/96/1059792496.db2.gz QITKNJRGXQJPRD-FHCJZJPSSA-N 0 0 775.338 3.319 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OCC#N ZINC000408955329 1059792561 /nfs/dbraw/zinc/79/25/61/1059792561.db2.gz QITKNJRGXQJPRD-MOLFJZQESA-N 0 0 775.338 3.319 40 30 KGEBRN C=CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408955796 1059792034 /nfs/dbraw/zinc/79/20/34/1059792034.db2.gz QVGUWINHXMWEAY-ANHJNJTBSA-N 0 0 650.470 3.377 40 30 KGEBRN C=CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408955798 1059791997 /nfs/dbraw/zinc/79/19/97/1059791997.db2.gz QVGUWINHXMWEAY-GCKFMUFSSA-N 0 0 650.470 3.377 40 30 KGEBRN C=CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408955800 1059042757 /nfs/dbraw/zinc/04/27/57/1059042757.db2.gz QVGUWINHXMWEAY-LAEJIHLVSA-N 0 0 650.470 3.377 40 30 KGEBRN C=CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408955802 1059791971 /nfs/dbraw/zinc/79/19/71/1059791971.db2.gz QVGUWINHXMWEAY-SIJOXOPISA-N 0 0 650.470 3.377 40 30 KGEBRN C#CCOc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408955805 1059792540 /nfs/dbraw/zinc/79/25/40/1059792540.db2.gz QVSICNGKMDMNLE-AZGBJLFWSA-N 0 0 692.507 3.222 40 30 KGEBRN C#CCOc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408955806 1059792517 /nfs/dbraw/zinc/79/25/17/1059792517.db2.gz QVSICNGKMDMNLE-LZSVTYFGSA-N 0 0 692.507 3.222 40 30 KGEBRN C#CCOc1c(I)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408955809 1059792456 /nfs/dbraw/zinc/79/24/56/1059792456.db2.gz QVSICNGKMDMNLE-QWPGXGNOSA-N 0 0 692.507 3.222 40 30 KGEBRN C#CCOc1c(I)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408955810 1059792411 /nfs/dbraw/zinc/79/24/11/1059792411.db2.gz QVSICNGKMDMNLE-VQUZJZKESA-N 0 0 692.507 3.222 40 30 KGEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cn(CC#N)c5ccccc45)c(=O)n32)cc1OCC ZINC000408956174 1059791431 /nfs/dbraw/zinc/79/14/31/1059791431.db2.gz ZBDDVJZQXCMKNJ-HFMVAQMMSA-N 0 0 542.617 3.294 40 30 KGEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cn(CC#N)c5ccccc45)c(=O)n32)cc1OCC ZINC000408956178 1059043428 /nfs/dbraw/zinc/04/34/28/1059043428.db2.gz ZBDDVJZQXCMKNJ-OMXAIKKXSA-N 0 0 542.617 3.294 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(OCC#N)ccc2ccccc21 ZINC000408956299 1059791521 /nfs/dbraw/zinc/79/15/21/1059791521.db2.gz RDHWYYGNNMIBKD-FDGRNCMWSA-N 0 0 573.606 3.263 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(OCC#N)ccc2ccccc21 ZINC000408956302 1059791504 /nfs/dbraw/zinc/79/15/04/1059791504.db2.gz RDHWYYGNNMIBKD-NRRGTXEDSA-N 0 0 573.606 3.263 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(OCC#N)ccc2ccccc21 ZINC000408956304 1059791537 /nfs/dbraw/zinc/79/15/37/1059791537.db2.gz RDHWYYGNNMIBKD-RGPBOXAPSA-N 0 0 573.606 3.263 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(OCC#N)ccc2ccccc21 ZINC000408956307 1059791420 /nfs/dbraw/zinc/79/14/20/1059791420.db2.gz RDHWYYGNNMIBKD-XHUQXDCKSA-N 0 0 573.606 3.263 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000408956589 1059790844 /nfs/dbraw/zinc/79/08/44/1059790844.db2.gz RNQKTPJDHSOLIH-AVMFPXLXSA-N 0 0 596.641 3.106 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000408956595 1059790976 /nfs/dbraw/zinc/79/09/76/1059790976.db2.gz RNQKTPJDHSOLIH-PSTCCKRPSA-N 0 0 596.641 3.106 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000408956596 1059043448 /nfs/dbraw/zinc/04/34/48/1059043448.db2.gz RNQKTPJDHSOLIH-XQGAZVOYSA-N 0 0 596.641 3.106 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000408956597 1059790909 /nfs/dbraw/zinc/79/09/09/1059790909.db2.gz RNQKTPJDHSOLIH-ZXLOOTFSSA-N 0 0 596.641 3.106 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc2ccccc12 ZINC000408956598 1059790733 /nfs/dbraw/zinc/79/07/33/1059790733.db2.gz RNWYXYWCNUTDOV-AXIWFGRTSA-N 0 0 518.570 3.360 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc2ccccc12 ZINC000408956599 1059790782 /nfs/dbraw/zinc/79/07/82/1059790782.db2.gz RNWYXYWCNUTDOV-KIHPFNMISA-N 0 0 518.570 3.360 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc2ccccc12 ZINC000408956600 1059790758 /nfs/dbraw/zinc/79/07/58/1059790758.db2.gz RNWYXYWCNUTDOV-OELWMQSSSA-N 0 0 518.570 3.360 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc2ccccc12 ZINC000408956602 1059790823 /nfs/dbraw/zinc/79/08/23/1059790823.db2.gz RNWYXYWCNUTDOV-WKJUAXGRSA-N 0 0 518.570 3.360 40 30 KGEBRN CCOC(=O)COc1ccc2ccccc2c1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408956813 1059790885 /nfs/dbraw/zinc/79/08/85/1059790885.db2.gz RWGWJNNGENXVGY-AHTCSYFPSA-N 0 0 620.659 3.302 40 30 KGEBRN CCOC(=O)COc1ccc2ccccc2c1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408956816 1059790801 /nfs/dbraw/zinc/79/08/01/1059790801.db2.gz RWGWJNNGENXVGY-FTAXSTFOSA-N 0 0 620.659 3.302 40 30 KGEBRN CCOC(=O)COc1ccc2ccccc2c1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408956820 1059043777 /nfs/dbraw/zinc/04/37/77/1059043777.db2.gz RWGWJNNGENXVGY-NROOFFCYSA-N 0 0 620.659 3.302 40 30 KGEBRN CCOC(=O)COc1ccc2ccccc2c1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408956922 1059790286 /nfs/dbraw/zinc/79/02/86/1059790286.db2.gz RWGWJNNGENXVGY-QZIWZDNUSA-N 0 0 620.659 3.302 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000408957117 1059789773 /nfs/dbraw/zinc/78/97/73/1059789773.db2.gz SGEVTRLICXYLGI-JPWUEOFHSA-N 0 0 577.034 3.268 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000408957119 1059790394 /nfs/dbraw/zinc/79/03/94/1059790394.db2.gz SGEVTRLICXYLGI-LXIFSBEASA-N 0 0 577.034 3.268 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000408957122 1059790237 /nfs/dbraw/zinc/79/02/37/1059790237.db2.gz SGEVTRLICXYLGI-RXVUIVJYSA-N 0 0 577.034 3.268 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000408957123 1059790193 /nfs/dbraw/zinc/79/01/93/1059790193.db2.gz SGEVTRLICXYLGI-ZSQGPWTJSA-N 0 0 577.034 3.268 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC)c(OCC)c1 ZINC000408957134 1059790330 /nfs/dbraw/zinc/79/03/30/1059790330.db2.gz 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/nfs/dbraw/zinc/80/18/31/1059801831.db2.gz SSQLSJVQQXXXNK-MLPXVHMNSA-N 0 0 556.616 3.005 40 30 KGEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c(OCC)c1 ZINC000408957340 1059801904 /nfs/dbraw/zinc/80/19/04/1059801904.db2.gz SSQLSJVQQXXXNK-SVRGBRSRSA-N 0 0 556.616 3.005 40 30 KGEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c(OCC)c1 ZINC000408957341 1059004672 /nfs/dbraw/zinc/00/46/72/1059004672.db2.gz SSQLSJVQQXXXNK-WOEPFXTOSA-N 0 0 556.616 3.005 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OC(C)=O ZINC000408957342 1059801924 /nfs/dbraw/zinc/80/19/24/1059801924.db2.gz SSSJGOLATBQOIM-DEIHLEBESA-N 0 0 778.338 3.342 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OC(C)=O ZINC000408957343 1059802390 /nfs/dbraw/zinc/80/23/90/1059802390.db2.gz SSSJGOLATBQOIM-MTKLRTOUSA-N 0 0 778.338 3.342 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OC(C)=O ZINC000408957344 1059043645 /nfs/dbraw/zinc/04/36/45/1059043645.db2.gz SSSJGOLATBQOIM-MZTGXAHISA-N 0 0 778.338 3.342 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OC(C)=O ZINC000408957345 1059802413 /nfs/dbraw/zinc/80/24/13/1059802413.db2.gz SSSJGOLATBQOIM-UMJLYPNESA-N 0 0 778.338 3.342 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(Br)c1 ZINC000408957396 1059802564 /nfs/dbraw/zinc/80/25/64/1059802564.db2.gz SWMAVGQFZWQTHE-CJDZJEGHSA-N 0 0 669.913 3.175 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(Br)c1 ZINC000408957398 1059043820 /nfs/dbraw/zinc/04/38/20/1059043820.db2.gz SWMAVGQFZWQTHE-DNBJFUAZSA-N 0 0 669.913 3.175 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(Br)c1 ZINC000408957400 1059802684 /nfs/dbraw/zinc/80/26/84/1059802684.db2.gz SWMAVGQFZWQTHE-GRLLSRNWSA-N 0 0 669.913 3.175 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(Br)c1 ZINC000408957401 1059043889 /nfs/dbraw/zinc/04/38/89/1059043889.db2.gz SWMAVGQFZWQTHE-RCMVPCBXSA-N 0 0 669.913 3.175 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(Cl)c1 ZINC000408957520 1059043841 /nfs/dbraw/zinc/04/38/41/1059043841.db2.gz TXLIQXBUALWDRB-CJDZJEGHSA-N 0 0 625.462 3.066 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(Cl)c1 ZINC000408957522 1059801757 /nfs/dbraw/zinc/80/17/57/1059801757.db2.gz TXLIQXBUALWDRB-DNBJFUAZSA-N 0 0 625.462 3.066 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(Cl)c1 ZINC000408957524 1059801725 /nfs/dbraw/zinc/80/17/25/1059801725.db2.gz TXLIQXBUALWDRB-GRLLSRNWSA-N 0 0 625.462 3.066 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(Cl)c1 ZINC000408957525 1059801861 /nfs/dbraw/zinc/80/18/61/1059801861.db2.gz TXLIQXBUALWDRB-RCMVPCBXSA-N 0 0 625.462 3.066 40 30 KGEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408957649 1059801784 /nfs/dbraw/zinc/80/17/84/1059801784.db2.gz UBMPYIXZYJPFAP-IRWRDOPVSA-N 0 0 638.459 3.210 40 30 KGEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408957651 1059043756 /nfs/dbraw/zinc/04/37/56/1059043756.db2.gz UBMPYIXZYJPFAP-IYYUSKDXSA-N 0 0 638.459 3.210 40 30 KGEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408957652 1059801694 /nfs/dbraw/zinc/80/16/94/1059801694.db2.gz UBMPYIXZYJPFAP-JKUJXJLCSA-N 0 0 638.459 3.210 40 30 KGEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408957654 1059801948 /nfs/dbraw/zinc/80/19/48/1059801948.db2.gz UBMPYIXZYJPFAP-RLWCNIOGSA-N 0 0 638.459 3.210 40 30 KGEBRN C=CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408957887 1059801328 /nfs/dbraw/zinc/80/13/28/1059801328.db2.gz ULGHINJWNLQVMK-AVMFPXLXSA-N 0 0 568.627 3.171 40 30 KGEBRN C=CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408957889 1059801184 /nfs/dbraw/zinc/80/11/84/1059801184.db2.gz ULGHINJWNLQVMK-PSTCCKRPSA-N 0 0 568.627 3.171 40 30 KGEBRN C=CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408957890 1059801154 /nfs/dbraw/zinc/80/11/54/1059801154.db2.gz ULGHINJWNLQVMK-XQGAZVOYSA-N 0 0 568.627 3.171 40 30 KGEBRN C=CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408957891 1059043865 /nfs/dbraw/zinc/04/38/65/1059043865.db2.gz ULGHINJWNLQVMK-ZXLOOTFSSA-N 0 0 568.627 3.171 40 30 KGEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408957950 1059801210 /nfs/dbraw/zinc/80/12/10/1059801210.db2.gz UVPXMSBFTKYYAB-IGSAFADJSA-N 0 0 556.616 3.005 40 30 KGEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408958027 1059801114 /nfs/dbraw/zinc/80/11/14/1059801114.db2.gz UVPXMSBFTKYYAB-MLPXVHMNSA-N 0 0 556.616 3.005 40 30 KGEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408958028 1059043799 /nfs/dbraw/zinc/04/37/99/1059043799.db2.gz UVPXMSBFTKYYAB-SVRGBRSRSA-N 0 0 556.616 3.005 40 30 KGEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408958030 1059044267 /nfs/dbraw/zinc/04/42/67/1059044267.db2.gz UVPXMSBFTKYYAB-WOEPFXTOSA-N 0 0 556.616 3.005 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1sccc1Br ZINC000408958139 1059801264 /nfs/dbraw/zinc/80/12/64/1059801264.db2.gz VIKFPQPRZDEELY-NANPPUGASA-N 0 0 553.435 3.031 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1sccc1Br ZINC000408958140 1059801302 /nfs/dbraw/zinc/80/13/02/1059801302.db2.gz VIKFPQPRZDEELY-RXPUKQNLSA-N 0 0 553.435 3.031 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1sccc1Br ZINC000408958141 1059801083 /nfs/dbraw/zinc/80/10/83/1059801083.db2.gz VIKFPQPRZDEELY-YNKHZBRRSA-N 0 0 553.435 3.031 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1sccc1Br ZINC000408958142 1059044143 /nfs/dbraw/zinc/04/41/43/1059044143.db2.gz VIKFPQPRZDEELY-ZCTVUFTBSA-N 0 0 553.435 3.031 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000408958271 1059800551 /nfs/dbraw/zinc/80/05/51/1059800551.db2.gz VKDPUYDGQCULLM-JPWUEOFHSA-N 0 0 577.034 3.268 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000408958272 1059800620 /nfs/dbraw/zinc/80/06/20/1059800620.db2.gz VKDPUYDGQCULLM-LXIFSBEASA-N 0 0 577.034 3.268 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000408958273 1059800752 /nfs/dbraw/zinc/80/07/52/1059800752.db2.gz VKDPUYDGQCULLM-RXVUIVJYSA-N 0 0 577.034 3.268 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000408958274 1059044169 /nfs/dbraw/zinc/04/41/69/1059044169.db2.gz VKDPUYDGQCULLM-ZSQGPWTJSA-N 0 0 577.034 3.268 40 30 KGEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408958279 1059800597 /nfs/dbraw/zinc/80/05/97/1059800597.db2.gz VKKPCGQBQJDFSA-IRWRDOPVSA-N 0 0 591.459 3.368 40 30 KGEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408958280 1059800706 /nfs/dbraw/zinc/80/07/06/1059800706.db2.gz VKKPCGQBQJDFSA-IYYUSKDXSA-N 0 0 591.459 3.368 40 30 KGEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408958281 1059801238 /nfs/dbraw/zinc/80/12/38/1059801238.db2.gz VKKPCGQBQJDFSA-JKUJXJLCSA-N 0 0 591.459 3.368 40 30 KGEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408958282 1059801131 /nfs/dbraw/zinc/80/11/31/1059801131.db2.gz VKKPCGQBQJDFSA-RLWCNIOGSA-N 0 0 591.459 3.368 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OC(C)C ZINC000408958305 1059044334 /nfs/dbraw/zinc/04/43/34/1059044334.db2.gz VMVPUGACTCKDEO-CBLWXDATSA-N 0 0 556.616 3.003 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OC(C)C ZINC000408958306 1059800576 /nfs/dbraw/zinc/80/05/76/1059800576.db2.gz VMVPUGACTCKDEO-DTKWVCNXSA-N 0 0 556.616 3.003 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OC(C)C ZINC000408958307 1059800731 /nfs/dbraw/zinc/80/07/31/1059800731.db2.gz VMVPUGACTCKDEO-FSQDEPJESA-N 0 0 556.616 3.003 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OC(C)C ZINC000408958308 1059044356 /nfs/dbraw/zinc/04/43/56/1059044356.db2.gz VMVPUGACTCKDEO-MCRYNVSCSA-N 0 0 556.616 3.003 40 30 KGEBRN C=CCOc1c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC ZINC000408958497 1059800113 /nfs/dbraw/zinc/80/01/13/1059800113.db2.gz WBBVDZZKZYBYHK-AWQTYOERSA-N 0 0 680.496 3.385 40 30 KGEBRN C=CCOc1c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC ZINC000408958498 1059800646 /nfs/dbraw/zinc/80/06/46/1059800646.db2.gz WBBVDZZKZYBYHK-FZBVERTKSA-N 0 0 680.496 3.385 40 30 KGEBRN C=CCOc1c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC ZINC000408958499 1059800687 /nfs/dbraw/zinc/80/06/87/1059800687.db2.gz WBBVDZZKZYBYHK-QERSVGBZSA-N 0 0 680.496 3.385 40 30 KGEBRN C=CCOc1c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC ZINC000408958500 1059800669 /nfs/dbraw/zinc/80/06/69/1059800669.db2.gz WBBVDZZKZYBYHK-ZSGIBSASSA-N 0 0 680.496 3.385 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(CC)c2ccccc12 ZINC000408958674 1059799582 /nfs/dbraw/zinc/79/95/82/1059799582.db2.gz WIWHVQAPAJEJBX-HLBKOFPLSA-N 0 0 535.601 3.182 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(CC)c2ccccc12 ZINC000408958675 1059800002 /nfs/dbraw/zinc/80/00/02/1059800002.db2.gz WIWHVQAPAJEJBX-JFCQRZRWSA-N 0 0 535.601 3.182 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(CC)c2ccccc12 ZINC000408958676 1059799984 /nfs/dbraw/zinc/79/99/84/1059799984.db2.gz WIWHVQAPAJEJBX-UJPZYCPGSA-N 0 0 535.601 3.182 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(CC)c2ccccc12 ZINC000408958678 1059800138 /nfs/dbraw/zinc/80/01/38/1059800138.db2.gz WIWHVQAPAJEJBX-WAQZCJMBSA-N 0 0 535.601 3.182 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC)c(OCC)c1 ZINC000408958796 1059795949 /nfs/dbraw/zinc/79/59/49/1059795949.db2.gz WUAJVNKSHQMTBL-ALUZHPLXSA-N 0 0 621.485 3.377 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC)c(OCC)c1 ZINC000408958797 1059795969 /nfs/dbraw/zinc/79/59/69/1059795969.db2.gz WUAJVNKSHQMTBL-DEKUJFBWSA-N 0 0 621.485 3.377 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC)c(OCC)c1 ZINC000408958798 1059796007 /nfs/dbraw/zinc/79/60/07/1059796007.db2.gz WUAJVNKSHQMTBL-HMWBBYHBSA-N 0 0 621.485 3.377 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC)c(OCC)c1 ZINC000408958799 1059796026 /nfs/dbraw/zinc/79/60/26/1059796026.db2.gz WUAJVNKSHQMTBL-RLWAIIQZSA-N 0 0 621.485 3.377 40 30 KGEBRN CCCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958814 1059795930 /nfs/dbraw/zinc/79/59/30/1059795930.db2.gz WUJRFBOOPANKFJ-IGSAFADJSA-N 0 0 556.616 3.005 40 30 KGEBRN CCCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958815 1059796065 /nfs/dbraw/zinc/79/60/65/1059796065.db2.gz WUJRFBOOPANKFJ-MLPXVHMNSA-N 0 0 556.616 3.005 40 30 KGEBRN CCCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958816 1059794811 /nfs/dbraw/zinc/79/48/11/1059794811.db2.gz WUJRFBOOPANKFJ-SVRGBRSRSA-N 0 0 556.616 3.005 40 30 KGEBRN CCCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958817 1059041753 /nfs/dbraw/zinc/04/17/53/1059041753.db2.gz WUJRFBOOPANKFJ-WOEPFXTOSA-N 0 0 556.616 3.005 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000408958820 1059794690 /nfs/dbraw/zinc/79/46/90/1059794690.db2.gz WUXXXLYAPHBGFB-FACGKSROSA-N 0 0 609.592 3.384 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000408958821 1059794881 /nfs/dbraw/zinc/79/48/81/1059794881.db2.gz WUXXXLYAPHBGFB-IVXWIHHPSA-N 0 0 609.592 3.384 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000408958822 1059794764 /nfs/dbraw/zinc/79/47/64/1059794764.db2.gz WUXXXLYAPHBGFB-MQSIPVOJSA-N 0 0 609.592 3.384 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000408958823 1059794740 /nfs/dbraw/zinc/79/47/40/1059794740.db2.gz WUXXXLYAPHBGFB-WTVUJOPASA-N 0 0 609.592 3.384 40 30 KGEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c(Br)cc1O ZINC000408958826 1059795357 /nfs/dbraw/zinc/79/53/57/1059795357.db2.gz WVWDCJGPJUNYHD-DXMAAPQNSA-N 0 0 607.458 3.074 40 30 KGEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c(Br)cc1O ZINC000408958827 1059795373 /nfs/dbraw/zinc/79/53/73/1059795373.db2.gz WVWDCJGPJUNYHD-FBPNJDHYSA-N 0 0 607.458 3.074 40 30 KGEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c(Br)cc1O ZINC000408958828 1059795398 /nfs/dbraw/zinc/79/53/98/1059795398.db2.gz WVWDCJGPJUNYHD-FYCKPONMSA-N 0 0 607.458 3.074 40 30 KGEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c(Br)cc1O ZINC000408958829 1059795338 /nfs/dbraw/zinc/79/53/38/1059795338.db2.gz WVWDCJGPJUNYHD-STCKJLINSA-N 0 0 607.458 3.074 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OC ZINC000408958878 1059795446 /nfs/dbraw/zinc/79/54/46/1059795446.db2.gz XGDKZZXPACPGGK-KNCRFGIJSA-N 0 0 750.328 3.425 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OC ZINC000408958879 1059795537 /nfs/dbraw/zinc/79/55/37/1059795537.db2.gz XGDKZZXPACPGGK-NCXTUDGVSA-N 0 0 750.328 3.425 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OC ZINC000408958880 1059795491 /nfs/dbraw/zinc/79/54/91/1059795491.db2.gz XGDKZZXPACPGGK-NYHZCKRISA-N 0 0 750.328 3.425 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OC ZINC000408958881 1059041875 /nfs/dbraw/zinc/04/18/75/1059041875.db2.gz XGDKZZXPACPGGK-YOHHBYEBSA-N 0 0 750.328 3.425 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC)c([N+](=O)[O-])c1 ZINC000408958954 1059798851 /nfs/dbraw/zinc/79/88/51/1059798851.db2.gz XOMJVIMUEBGEKS-BNFQWOKNSA-N 0 0 636.456 3.277 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC)c([N+](=O)[O-])c1 ZINC000408958955 1059041966 /nfs/dbraw/zinc/04/19/66/1059041966.db2.gz XOMJVIMUEBGEKS-HNCLAJARSA-N 0 0 636.456 3.277 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC)c([N+](=O)[O-])c1 ZINC000408958956 1059798745 /nfs/dbraw/zinc/79/87/45/1059798745.db2.gz XOMJVIMUEBGEKS-IRPDQSHZSA-N 0 0 636.456 3.277 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC)c([N+](=O)[O-])c1 ZINC000408958957 1059798797 /nfs/dbraw/zinc/79/87/97/1059798797.db2.gz XOMJVIMUEBGEKS-XFCWRSKXSA-N 0 0 636.456 3.277 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(NC)c(I)c1 ZINC000408958974 1059041827 /nfs/dbraw/zinc/04/18/27/1059041827.db2.gz XQJBIXOICNZEPI-IROFOXPUSA-N 0 0 749.344 3.458 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(NC)c(I)c1 ZINC000408958975 1059042056 /nfs/dbraw/zinc/04/20/56/1059042056.db2.gz XQJBIXOICNZEPI-JHUQMDPVSA-N 0 0 749.344 3.458 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(NC)c(I)c1 ZINC000408958976 1059799478 /nfs/dbraw/zinc/79/94/78/1059799478.db2.gz XQJBIXOICNZEPI-MGBOIRJJSA-N 0 0 749.344 3.458 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(NC)c(I)c1 ZINC000408958977 1059042241 /nfs/dbraw/zinc/04/22/41/1059042241.db2.gz XQJBIXOICNZEPI-XFAUSUCESA-N 0 0 749.344 3.458 40 30 KGEBRN C#CCOc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408958988 1059799454 /nfs/dbraw/zinc/79/94/54/1059799454.db2.gz XTVPSRIWZMGTRU-AZGBJLFWSA-N 0 0 601.056 3.271 40 30 KGEBRN C#CCOc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408958989 1059799516 /nfs/dbraw/zinc/79/95/16/1059799516.db2.gz XTVPSRIWZMGTRU-LZSVTYFGSA-N 0 0 601.056 3.271 40 30 KGEBRN C#CCOc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408958990 1059799387 /nfs/dbraw/zinc/79/93/87/1059799387.db2.gz XTVPSRIWZMGTRU-QWPGXGNOSA-N 0 0 601.056 3.271 40 30 KGEBRN C#CCOc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408958991 1059799435 /nfs/dbraw/zinc/79/94/35/1059799435.db2.gz XTVPSRIWZMGTRU-VQUZJZKESA-N 0 0 601.056 3.271 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccccc2)o1 ZINC000408959060 1059042424 /nfs/dbraw/zinc/04/24/24/1059042424.db2.gz YELPZUVZANIXRX-IGSAFADJSA-N 0 0 534.569 3.467 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccccc2)o1 ZINC000408959061 1059798331 /nfs/dbraw/zinc/79/83/31/1059798331.db2.gz YELPZUVZANIXRX-MLPXVHMNSA-N 0 0 534.569 3.467 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccccc2)o1 ZINC000408959062 1059798247 /nfs/dbraw/zinc/79/82/47/1059798247.db2.gz YELPZUVZANIXRX-SVRGBRSRSA-N 0 0 534.569 3.467 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccccc2)o1 ZINC000408959063 1059798306 /nfs/dbraw/zinc/79/83/06/1059798306.db2.gz YELPZUVZANIXRX-WOEPFXTOSA-N 0 0 534.569 3.467 40 30 KGEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1O ZINC000408959104 1059042482 /nfs/dbraw/zinc/04/24/82/1059042482.db2.gz YHSTXHBKIFCPCA-JDHIBWLUSA-N 0 0 568.627 3.040 40 30 KGEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1O ZINC000408959105 1059042442 /nfs/dbraw/zinc/04/24/42/1059042442.db2.gz YHSTXHBKIFCPCA-LDTLGUNKSA-N 0 0 568.627 3.040 40 30 KGEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1O ZINC000408959106 1059798200 /nfs/dbraw/zinc/79/82/00/1059798200.db2.gz YHSTXHBKIFCPCA-PHGNHSODSA-N 0 0 568.627 3.040 40 30 KGEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1O ZINC000408959107 1059798287 /nfs/dbraw/zinc/79/82/87/1059798287.db2.gz YHSTXHBKIFCPCA-ZSCWCSKLSA-N 0 0 568.627 3.040 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)n(C)c2ccccc12 ZINC000408959172 1059798868 /nfs/dbraw/zinc/79/88/68/1059798868.db2.gz YOWUEQMRVNNFRF-DJCCFMDRSA-N 0 0 535.601 3.007 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)n(C)c2ccccc12 ZINC000408959173 1059798961 /nfs/dbraw/zinc/79/89/61/1059798961.db2.gz YOWUEQMRVNNFRF-MDPDLIBWSA-N 0 0 535.601 3.007 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)n(C)c2ccccc12 ZINC000408959174 1059042501 /nfs/dbraw/zinc/04/25/01/1059042501.db2.gz YOWUEQMRVNNFRF-NGOXHROLSA-N 0 0 535.601 3.007 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)n(C)c2ccccc12 ZINC000408959175 1059798942 /nfs/dbraw/zinc/79/89/42/1059798942.db2.gz YOWUEQMRVNNFRF-ZPGVZFHDSA-N 0 0 535.601 3.007 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cccc(C(=O)OC)c2)o1 ZINC000408959234 1059794836 /nfs/dbraw/zinc/79/48/36/1059794836.db2.gz YVQZZFQPNLENID-AYUSUKFDSA-N 0 0 592.605 3.254 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cccc(C(=O)OC)c2)o1 ZINC000408959235 1059794859 /nfs/dbraw/zinc/79/48/59/1059794859.db2.gz YVQZZFQPNLENID-DJWYDINGSA-N 0 0 592.605 3.254 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cccc(C(=O)OC)c2)o1 ZINC000408959236 1059042464 /nfs/dbraw/zinc/04/24/64/1059042464.db2.gz YVQZZFQPNLENID-NNAQDJHZSA-N 0 0 592.605 3.254 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cccc(C(=O)OC)c2)o1 ZINC000408959237 1059794717 /nfs/dbraw/zinc/79/47/17/1059794717.db2.gz YVQZZFQPNLENID-QGSRPVLBSA-N 0 0 592.605 3.254 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC)c(OC)c1 ZINC000408959358 1059797610 /nfs/dbraw/zinc/79/76/10/1059797610.db2.gz ZKKIFCUJEGSAIK-JPWUEOFHSA-N 0 0 621.485 3.377 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC)c(OC)c1 ZINC000408959359 1059797674 /nfs/dbraw/zinc/79/76/74/1059797674.db2.gz ZKKIFCUJEGSAIK-LXIFSBEASA-N 0 0 621.485 3.377 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC)c(OC)c1 ZINC000408959360 1059797731 /nfs/dbraw/zinc/79/77/31/1059797731.db2.gz ZKKIFCUJEGSAIK-RXVUIVJYSA-N 0 0 621.485 3.377 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC)c(OC)c1 ZINC000408959361 1059797713 /nfs/dbraw/zinc/79/77/13/1059797713.db2.gz ZKKIFCUJEGSAIK-ZSQGPWTJSA-N 0 0 621.485 3.377 40 30 KGEBRN C#CCOc1c(I)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408959370 1059042736 /nfs/dbraw/zinc/04/27/36/1059042736.db2.gz ZKUSTHAPTAKJER-ADODYWCFSA-N 0 0 774.350 3.428 40 30 KGEBRN C#CCOc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408959371 1059797588 /nfs/dbraw/zinc/79/75/88/1059797588.db2.gz ZKUSTHAPTAKJER-IFFKDRNLSA-N 0 0 774.350 3.428 40 30 KGEBRN C#CCOc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408959372 1059797695 /nfs/dbraw/zinc/79/76/95/1059797695.db2.gz ZKUSTHAPTAKJER-OZORCGAZSA-N 0 0 774.350 3.428 40 30 KGEBRN C#CCOc1c(I)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408959373 1059042685 /nfs/dbraw/zinc/04/26/85/1059042685.db2.gz ZKUSTHAPTAKJER-SREUWLBMSA-N 0 0 774.350 3.428 40 30 KGEBRN C=CCOc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408959434 1059797746 /nfs/dbraw/zinc/79/77/46/1059797746.db2.gz ZQRYCJJHZNEAAV-BWABIVLKSA-N 0 0 589.045 3.434 40 30 KGEBRN C=CCOc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408959435 1059797632 /nfs/dbraw/zinc/79/76/32/1059797632.db2.gz ZQRYCJJHZNEAAV-NUQBMMRGSA-N 0 0 589.045 3.434 40 30 KGEBRN C=CCOc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408959436 1059798179 /nfs/dbraw/zinc/79/81/79/1059798179.db2.gz ZQRYCJJHZNEAAV-UHSBKBDLSA-N 0 0 589.045 3.434 40 30 KGEBRN C=CCOc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408959437 1059042780 /nfs/dbraw/zinc/04/27/80/1059042780.db2.gz ZQRYCJJHZNEAAV-VLBYHXBISA-N 0 0 589.045 3.434 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC(C)C)c(OC)c1 ZINC000408959446 1059798267 /nfs/dbraw/zinc/79/82/67/1059798267.db2.gz ZRHQJRSBISRJAN-DJCCFMDRSA-N 0 0 556.616 3.003 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC(C)C)c(OC)c1 ZINC000408959447 1059798160 /nfs/dbraw/zinc/79/81/60/1059798160.db2.gz ZRHQJRSBISRJAN-MDPDLIBWSA-N 0 0 556.616 3.003 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC(C)C)c(OC)c1 ZINC000408959448 1059798226 /nfs/dbraw/zinc/79/82/26/1059798226.db2.gz ZRHQJRSBISRJAN-NGOXHROLSA-N 0 0 556.616 3.003 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC(C)C)c(OC)c1 ZINC000408959449 1059798353 /nfs/dbraw/zinc/79/83/53/1059798353.db2.gz ZRHQJRSBISRJAN-ZPGVZFHDSA-N 0 0 556.616 3.003 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(I)c1OC ZINC000408959478 1059797108 /nfs/dbraw/zinc/79/71/08/1059797108.db2.gz ZWMGDXMZVRKSSQ-KNCRFGIJSA-N 0 0 658.877 3.474 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(I)c1OC ZINC000408959479 1059797142 /nfs/dbraw/zinc/79/71/42/1059797142.db2.gz ZWMGDXMZVRKSSQ-NCXTUDGVSA-N 0 0 658.877 3.474 40 30 KGEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(I)c1OC ZINC000408959480 1059797566 /nfs/dbraw/zinc/79/75/66/1059797566.db2.gz ZWMGDXMZVRKSSQ-NYHZCKRISA-N 0 0 658.877 3.474 40 30 KGEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(I)c1OC ZINC000408959481 1059797651 /nfs/dbraw/zinc/79/76/51/1059797651.db2.gz ZWMGDXMZVRKSSQ-YOHHBYEBSA-N 0 0 658.877 3.474 40 30 KGEBRN CN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=Nc1ccc2c(c1)OCO2 ZINC000408962820 1059796044 /nfs/dbraw/zinc/79/60/44/1059796044.db2.gz VQMMFAYXHHXOQR-GIZWEAKWSA-N 0 0 504.568 3.463 40 30 KGEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cccc(OC)c1OCC)C(C(=O)OCCOC)=C(C)N=2 ZINC000408964093 1059796571 /nfs/dbraw/zinc/79/65/71/1059796571.db2.gz NPUAODTZCNOACS-INZJWMLVSA-N 0 0 564.660 3.397 40 30 KGEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1cccc(OC)c1OCC)C(C(=O)OCCOC)=C(C)N=2 ZINC000408964097 1059796368 /nfs/dbraw/zinc/79/63/68/1059796368.db2.gz NPUAODTZCNOACS-NQCZSQBNSA-N 0 0 564.660 3.397 40 30 KGEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cccc1OC ZINC000408968902 1059045141 /nfs/dbraw/zinc/04/51/41/1059045141.db2.gz CPNHUCVPBRVEOT-INZJWMLVSA-N 0 0 594.686 3.406 40 30 KGEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cccc1OC ZINC000408968903 1059805491 /nfs/dbraw/zinc/80/54/91/1059805491.db2.gz CPNHUCVPBRVEOT-NQCZSQBNSA-N 0 0 594.686 3.406 40 30 KGEBRN COc1cccc(OCCOc2ccccc2C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c1 ZINC000408969116 1059805453 /nfs/dbraw/zinc/80/54/53/1059805453.db2.gz HNIBOBMTUWJTTQ-XHLNEMQHSA-N 0 0 534.617 3.062 40 30 KGEBRN CCOc1cc(C=NN=c2cc(N(C)C)[nH]c(N(C)C)n2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408969616 1059804729 /nfs/dbraw/zinc/80/47/29/1059804729.db2.gz QTODDULPRLFSNG-BUVRLJJBSA-N 0 0 529.579 3.129 40 30 KGEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc([N+](=O)[O-])cc1OC ZINC000408969666 1059805413 /nfs/dbraw/zinc/80/54/13/1059805413.db2.gz RSYMATRRQCDEKI-MKWGYRPRSA-N 0 0 639.683 3.314 40 30 KGEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc([N+](=O)[O-])cc1OC ZINC000408969667 1059005122 /nfs/dbraw/zinc/00/51/22/1059005122.db2.gz RSYMATRRQCDEKI-OCEWKHMESA-N 0 0 639.683 3.314 40 30 KGEBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)ccc1OCC#N ZINC000408970824 1059804574 /nfs/dbraw/zinc/80/45/74/1059804574.db2.gz KTYHZGCVMVGVCA-NTWBUQQASA-N 0 0 607.685 3.133 40 30 KGEBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)ccc1OCC#N ZINC000408970825 1059804474 /nfs/dbraw/zinc/80/44/74/1059804474.db2.gz KTYHZGCVMVGVCA-XKGHIZKOSA-N 0 0 607.685 3.133 40 30 KGEBRN COc1cccc(OCCOc2ccc(C=NN=c3cc(N4CCOCC4)[nH]c(N4CCOCC4)n3)cc2)c1 ZINC000408970850 1059804513 /nfs/dbraw/zinc/80/45/13/1059804513.db2.gz LFPVLAXVCSMWGX-XHLNEMQHSA-N 0 0 534.617 3.062 40 30 KGEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1OCC ZINC000408971169 1059804075 /nfs/dbraw/zinc/80/40/75/1059804075.db2.gz NIIZBZJDUUADLH-QVOHLBINSA-N 0 0 606.697 3.243 40 30 KGEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1OCC ZINC000408971170 1059803897 /nfs/dbraw/zinc/80/38/97/1059803897.db2.gz NIIZBZJDUUADLH-QWYUUOJISA-N 0 0 606.697 3.243 40 30 KGEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1OC ZINC000408971721 1059803832 /nfs/dbraw/zinc/80/38/32/1059803832.db2.gz KIYAOTPMZWMOCQ-ASSGYOTOSA-N 0 0 718.566 3.457 40 30 KGEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1OC ZINC000408971723 1059803921 /nfs/dbraw/zinc/80/39/21/1059803921.db2.gz KIYAOTPMZWMOCQ-OGRZUZBBSA-N 0 0 718.566 3.457 40 30 KGEBRN COc1cccc(OCCOc2cccc(C=NN=c3cc(N4CCOCC4)[nH]c(N4CCOCC4)n3)c2)c1 ZINC000408972276 1059803184 /nfs/dbraw/zinc/80/31/84/1059803184.db2.gz QOOWNTIDBWGJTL-XHLNEMQHSA-N 0 0 534.617 3.062 40 30 KGEBRN CCNC(=S)N/N=C/c1cc(I)c(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000408972748 1059803365 /nfs/dbraw/zinc/80/33/65/1059803365.db2.gz WHGCFZCBGAXBDJ-SRZZPIQSSA-N 0 0 533.413 3.194 40 30 KGEBRN CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(Br)c3)c(=O)n21 ZINC000408973297 1059803404 /nfs/dbraw/zinc/80/34/04/1059803404.db2.gz YFQBYWVFMUWVGC-OWXSRONMSA-N 0 0 642.528 3.497 40 30 KGEBRN CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(Br)c3)c(=O)n21 ZINC000408973300 1059803318 /nfs/dbraw/zinc/80/33/18/1059803318.db2.gz 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622.696 3.322 40 30 KGEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409033469 1059831591 /nfs/dbraw/zinc/83/15/91/1059831591.db2.gz FGPMTXGIFKLDET-SFKHYTNKSA-N 0 0 622.696 3.322 40 30 KGEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(OC)c(OCC#N)cc3Br)sc2=N1 ZINC000409033510 1059831498 /nfs/dbraw/zinc/83/14/98/1059831498.db2.gz LXQQNOCTAFRKNO-QCHPHUCNSA-N 0 0 568.449 3.472 40 30 KGEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(OC)c(OCC#N)cc3Br)sc2=N1 ZINC000409033513 1059051698 /nfs/dbraw/zinc/05/16/98/1059051698.db2.gz LXQQNOCTAFRKNO-VZIOXZNFSA-N 0 0 568.449 3.472 40 30 KGEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(OCC#N)c(OC)c3)sc2=N1 ZINC000409033908 1059051499 /nfs/dbraw/zinc/05/14/99/1059051499.db2.gz GAYUCEYJKFYVAP-FBHQFGEZSA-N 0 0 568.449 3.472 40 30 KGEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(OCC#N)c(OC)c3)sc2=N1 ZINC000409033910 1059051679 /nfs/dbraw/zinc/05/16/79/1059051679.db2.gz GAYUCEYJKFYVAP-PZHBDVNGSA-N 0 0 568.449 3.472 40 30 KGEBRN C#CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000409034704 1059052529 /nfs/dbraw/zinc/05/25/29/1059052529.db2.gz QTQBGIZQSDWHQY-FOOGSPQISA-N 0 0 746.576 3.374 40 30 KGEBRN C#CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000409034706 1059829541 /nfs/dbraw/zinc/82/95/41/1059829541.db2.gz QTQBGIZQSDWHQY-GWXSLXSZSA-N 0 0 746.576 3.374 40 30 KGEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000409034759 1059052440 /nfs/dbraw/zinc/05/24/40/1059052440.db2.gz OJDPYPYDVPRPKQ-DBLMTGOPSA-N 0 0 622.696 3.322 40 30 KGEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000409034761 1059829800 /nfs/dbraw/zinc/82/98/00/1059829800.db2.gz OJDPYPYDVPRPKQ-GKKFRVOYSA-N 0 0 622.696 3.322 40 30 KGEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O ZINC000409035625 1059829018 /nfs/dbraw/zinc/82/90/18/1059829018.db2.gz JQVQGVJLVUJGEB-FSFYKJEYSA-N 0 0 622.696 3.192 40 30 KGEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O ZINC000409035627 1059829049 /nfs/dbraw/zinc/82/90/49/1059829049.db2.gz JQVQGVJLVUJGEB-ZUCAMLDZSA-N 0 0 622.696 3.192 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036055 1059053103 /nfs/dbraw/zinc/05/31/03/1059053103.db2.gz KZUFJRXBHLRECO-ASZHOJRSSA-N 0 0 700.564 3.422 40 30 KGEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCC#N)c(I)c3)sc2=N1 ZINC000409036057 1059828468 /nfs/dbraw/zinc/82/84/68/1059828468.db2.gz RGTINBFHIAJIFX-FBHQFGEZSA-N 0 0 585.423 3.305 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036058 1059828496 /nfs/dbraw/zinc/82/84/96/1059828496.db2.gz KZUFJRXBHLRECO-RNECYNAXSA-N 0 0 700.564 3.422 40 30 KGEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCC#N)c(I)c3)sc2=N1 ZINC000409036062 1059828622 /nfs/dbraw/zinc/82/86/22/1059828622.db2.gz RGTINBFHIAJIFX-PZHBDVNGSA-N 0 0 585.423 3.305 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036452 1059827834 /nfs/dbraw/zinc/82/78/34/1059827834.db2.gz RLAZKURAQCJUEH-CWJUKMOQSA-N 0 0 635.695 3.050 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036456 1059053009 /nfs/dbraw/zinc/05/30/09/1059053009.db2.gz RLAZKURAQCJUEH-SFKHYTNKSA-N 0 0 635.695 3.050 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036757 1059053031 /nfs/dbraw/zinc/05/30/31/1059053031.db2.gz MEJFIEFMYOQQJS-ASZHOJRSSA-N 0 0 747.564 3.264 40 30 KGEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OCC#N)c(OC)c3)sc2=N1 ZINC000409036796 1059827499 /nfs/dbraw/zinc/82/74/99/1059827499.db2.gz BNNBQUMQRBFPOA-FBHQFGEZSA-N 0 0 615.449 3.314 40 30 KGEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OCC#N)c(OC)c3)sc2=N1 ZINC000409036797 1059827452 /nfs/dbraw/zinc/82/74/52/1059827452.db2.gz BNNBQUMQRBFPOA-PZHBDVNGSA-N 0 0 615.449 3.314 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCC#N)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036849 1059827368 /nfs/dbraw/zinc/82/73/68/1059827368.db2.gz MGNRLDOUFDBUAS-JYXZFHPPSA-N 0 0 626.087 3.305 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCC#N)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036856 1059052980 /nfs/dbraw/zinc/05/29/80/1059052980.db2.gz MGNRLDOUFDBUAS-LMVGNEGFSA-N 0 0 626.087 3.305 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC#N)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037062 1059826960 /nfs/dbraw/zinc/82/69/60/1059826960.db2.gz XIPAAIXCFGLHBX-VZFFITARSA-N 0 0 715.535 3.322 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC#N)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037066 1059826931 /nfs/dbraw/zinc/82/69/31/1059826931.db2.gz XIPAAIXCFGLHBX-WCDDXEHASA-N 0 0 715.535 3.322 40 30 KGEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1OC ZINC000409037142 1059827430 /nfs/dbraw/zinc/82/74/30/1059827430.db2.gz XQNBGLHHCCUETP-FQWPPLDYSA-N 0 0 523.010 3.472 40 30 KGEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1OC ZINC000409037146 1059826047 /nfs/dbraw/zinc/82/60/47/1059826047.db2.gz XQNBGLHHCCUETP-RNHBDSLOSA-N 0 0 523.010 3.472 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037218 1059826244 /nfs/dbraw/zinc/82/62/44/1059826244.db2.gz MEJFIEFMYOQQJS-RNECYNAXSA-N 0 0 747.564 3.264 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037431 1059838508 /nfs/dbraw/zinc/83/85/08/1059838508.db2.gz NOKONUDWUJCJIN-NAIWQIQESA-N 0 0 614.680 3.227 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037433 1059838632 /nfs/dbraw/zinc/83/86/32/1059838632.db2.gz NOKONUDWUJCJIN-YIECNSLDSA-N 0 0 614.680 3.227 40 30 KGEBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCC#N ZINC000409038039 1059837302 /nfs/dbraw/zinc/83/73/02/1059837302.db2.gz OIUJVPDEYABINE-FOOJEKODSA-N 0 0 503.580 3.099 40 30 KGEBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCC#N ZINC000409038042 1059837359 /nfs/dbraw/zinc/83/73/59/1059837359.db2.gz OIUJVPDEYABINE-FVIVVMBBSA-N 0 0 503.580 3.099 40 30 KGEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000409038254 1059837502 /nfs/dbraw/zinc/83/75/02/1059837502.db2.gz OXQPKUKEMNVBNY-ASZHOJRSSA-N 0 0 714.547 3.432 40 30 KGEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000409038259 1059837387 /nfs/dbraw/zinc/83/73/87/1059837387.db2.gz OXQPKUKEMNVBNY-RNECYNAXSA-N 0 0 714.547 3.432 40 30 KGEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000409038899 1059846645 /nfs/dbraw/zinc/84/66/45/1059846645.db2.gz FVMDAVJASGRALX-KYRGTEIWSA-N 0 0 592.670 3.314 40 30 KGEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000409038900 1059846625 /nfs/dbraw/zinc/84/66/25/1059846625.db2.gz FVMDAVJASGRALX-NKYAOSOXSA-N 0 0 592.670 3.314 40 30 KGEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409038909 1059846550 /nfs/dbraw/zinc/84/65/50/1059846550.db2.gz PVBMJACERNLBRG-FBRKSOCZSA-N 0 0 592.670 3.314 40 30 KGEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409038912 1059052034 /nfs/dbraw/zinc/05/20/34/1059052034.db2.gz PVBMJACERNLBRG-ZPVURNRZSA-N 0 0 592.670 3.314 40 30 KGEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)c1 ZINC000409039134 1059846076 /nfs/dbraw/zinc/84/60/76/1059846076.db2.gz WKSZWXCYUHYINU-RBXKPUFLSA-N 0 0 592.670 3.314 40 30 KGEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)c1 ZINC000409039137 1059846603 /nfs/dbraw/zinc/84/66/03/1059846603.db2.gz WKSZWXCYUHYINU-STEKTNRRSA-N 0 0 592.670 3.314 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039145 1059846417 /nfs/dbraw/zinc/84/64/17/1059846417.db2.gz QPEQWZMVICHZSS-GTWFGUSFSA-N 0 0 547.633 3.496 40 30 KGEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039147 1059846520 /nfs/dbraw/zinc/84/65/20/1059846520.db2.gz 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543.418 3.240 40 30 KGEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(N)=O)c(OC)c1 ZINC000409293485 1059951537 /nfs/dbraw/zinc/95/15/37/1059951537.db2.gz KLXMBZCTCGKCBE-UHFFFAOYSA-N 0 0 585.196 3.081 40 30 KGEBRN COC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409294388 1059952945 /nfs/dbraw/zinc/95/29/45/1059952945.db2.gz ONMYHXCKGKPZAP-LLVKDONJSA-N 0 0 519.308 3.207 40 30 KGEBRN COC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409294392 1059953022 /nfs/dbraw/zinc/95/30/22/1059953022.db2.gz ONMYHXCKGKPZAP-NSHDSACASA-N 0 0 519.308 3.207 40 30 KGEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000409294730 1059953151 /nfs/dbraw/zinc/95/31/51/1059953151.db2.gz BPNLSLRSUYQTES-UHFFFAOYSA-N 0 0 522.403 3.417 40 30 KGEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409295024 1059952999 /nfs/dbraw/zinc/95/29/99/1059952999.db2.gz CUGBVYQBGSEQIN-UHFFFAOYSA-N 0 0 564.780 3.149 40 30 KGEBRN 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CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(I)c1OCC(N)=O ZINC000409298379 1059954629 /nfs/dbraw/zinc/95/46/29/1059954629.db2.gz WMZKYVCLNPTYRH-UHFFFAOYSA-N 0 0 599.223 3.471 40 30 KGEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OCC(N)=O ZINC000409298692 1059954712 /nfs/dbraw/zinc/95/47/12/1059954712.db2.gz XEURFGYOQCHOKX-UHFFFAOYSA-N 0 0 585.196 3.217 40 30 KGEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC)c(OC)c1 ZINC000409299138 1059954110 /nfs/dbraw/zinc/95/41/10/1059954110.db2.gz QYOUGPPHHFHDAW-UHFFFAOYSA-N 0 0 504.337 3.173 40 30 KGEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409299207 1059954539 /nfs/dbraw/zinc/95/45/39/1059954539.db2.gz RHVXLDWZDVPGGU-UHFFFAOYSA-N 0 0 553.167 3.138 40 30 KGEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)N1CCOCC1 ZINC000409299707 1059954177 /nfs/dbraw/zinc/95/41/77/1059954177.db2.gz RUUORBZRLLPYRK-UHFFFAOYSA-N 0 0 564.234 3.350 40 30 KGEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409300436 1059068493 /nfs/dbraw/zinc/06/84/93/1059068493.db2.gz WQCRUCJQBVLCHA-UHFFFAOYSA-N 0 0 558.389 3.310 40 30 KGEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409300966 1059068677 /nfs/dbraw/zinc/06/86/77/1059068677.db2.gz ZBLDUOHSDFVCLG-UHFFFAOYSA-N 0 0 564.780 3.149 40 30 KGEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1 ZINC000409301115 1059954233 /nfs/dbraw/zinc/95/42/33/1059954233.db2.gz ZQYLITIBGIGMAR-UHFFFAOYSA-N 0 0 564.234 3.350 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)N1CCOCC1 ZINC000409301418 1059954085 /nfs/dbraw/zinc/95/40/85/1059954085.db2.gz FLAMBOAVVBCMFC-UHFFFAOYSA-N 0 0 513.392 3.231 40 30 KGEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409301705 1059068726 /nfs/dbraw/zinc/06/87/26/1059068726.db2.gz DGZQAQQQJTWCJV-UHFFFAOYSA-N 0 0 573.444 3.419 40 30 KGEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OCC(=O)N1CCOCC1 ZINC000409302104 1059954003 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KGEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000409305460 1059953622 /nfs/dbraw/zinc/95/36/22/1059953622.db2.gz NEQNYRQMAGUWGH-UHFFFAOYSA-N 0 0 513.392 3.402 40 30 KGEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000409306325 1059952972 /nfs/dbraw/zinc/95/29/72/1059952972.db2.gz PWHVSCZWYNMSAO-UHFFFAOYSA-N 0 0 502.325 3.111 40 30 KGEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(N)=O ZINC000409306468 1059953045 /nfs/dbraw/zinc/95/30/45/1059953045.db2.gz QENRHRCDHNVPRS-UHFFFAOYSA-N 0 0 502.325 3.111 40 30 KGEBRN Cc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c2ccccc2n1CC(=O)N1CCOCC1 ZINC000409306474 1059953073 /nfs/dbraw/zinc/95/30/73/1059953073.db2.gz QFKNUFFXIYJCEX-UHFFFAOYSA-N 0 0 522.403 3.472 40 30 KGEBRN COC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409306543 1059953098 /nfs/dbraw/zinc/95/30/98/1059953098.db2.gz PZGRWABRGTUMJB-GFCCVEGCSA-N 0 0 504.337 3.307 40 30 KGEBRN COC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409306545 1059953123 /nfs/dbraw/zinc/95/31/23/1059953123.db2.gz PZGRWABRGTUMJB-LBPRGKRZSA-N 0 0 504.337 3.307 40 30 KGEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(Cl)c1 ZINC000409307537 1059955651 /nfs/dbraw/zinc/95/56/51/1059955651.db2.gz VJJZAJWBTLZFGW-UHFFFAOYSA-N 0 0 519.783 3.241 40 30 KGEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc([N+](=O)[O-])ccc3OCC(N)=O)cc21 ZINC000409307723 1059955721 /nfs/dbraw/zinc/95/57/21/1059955721.db2.gz UWSNSVSYDANPKS-UHFFFAOYSA-N 0 0 513.466 3.473 40 30 KGEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409307864 1059955672 /nfs/dbraw/zinc/95/56/72/1059955672.db2.gz WPJIIOPBHRLTPV-UHFFFAOYSA-N 0 0 609.231 3.258 40 30 KGEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(N)=O ZINC000409308071 1059955817 /nfs/dbraw/zinc/95/58/17/1059955817.db2.gz XCYBCVJVUFNLTQ-UHFFFAOYSA-N 0 0 538.196 3.239 40 30 KGEBRN CCOC(=O)COc1c(OC)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409308367 1059955577 /nfs/dbraw/zinc/95/55/77/1059955577.db2.gz YCAKDIBECKMDNX-UHFFFAOYSA-N 0 0 519.308 3.208 40 30 KGEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)OC ZINC000409308503 1059955744 /nfs/dbraw/zinc/95/57/44/1059955744.db2.gz YRLPCHUFALQFGU-UHFFFAOYSA-N 0 0 519.308 3.208 40 30 KGEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC(=O)N1CCOCC1 ZINC000409308710 1059955098 /nfs/dbraw/zinc/95/50/98/1059955098.db2.gz YEPDCJOGLZZHHZ-UHFFFAOYSA-N 0 0 519.783 3.241 40 30 KGEBRN CCOC(=O)COc1c(OC)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409308904 1059068654 /nfs/dbraw/zinc/06/86/54/1059068654.db2.gz ZMBWNVIEWOZRSI-UHFFFAOYSA-N 0 0 504.337 3.309 40 30 KGEBRN COc1cc(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCC(=O)N1CCOCC1 ZINC000409308924 1059955212 /nfs/dbraw/zinc/95/52/12/1059955212.db2.gz ZIFLCISPLSBFCK-UHFFFAOYSA-N 0 0 594.260 3.358 40 30 KGEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(N)=O ZINC000409310200 1059955229 /nfs/dbraw/zinc/95/52/29/1059955229.db2.gz SBCBRTCBBGKKPL-UHFFFAOYSA-N 0 0 502.325 3.156 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)N2CCOCC2)c1 ZINC000409311285 1059955147 /nfs/dbraw/zinc/95/51/47/1059955147.db2.gz ZCBWKODCUWKKSI-UHFFFAOYSA-N 0 0 513.392 3.231 40 30 KGEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000409311465 1059955269 /nfs/dbraw/zinc/95/52/69/1059955269.db2.gz GFBVVQWFMSSQKA-GFCCVEGCSA-N 0 0 502.325 3.327 40 30 KGEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000409311467 1059955193 /nfs/dbraw/zinc/95/51/93/1059955193.db2.gz GFBVVQWFMSSQKA-LBPRGKRZSA-N 0 0 502.325 3.327 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000409311558 1059955122 /nfs/dbraw/zinc/95/51/22/1059955122.db2.gz APULJJBEVBJNLJ-UHFFFAOYSA-N 0 0 513.392 3.231 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000409312242 1059069123 /nfs/dbraw/zinc/06/91/23/1059069123.db2.gz FAZWMKLBVRTIRQ-UHFFFAOYSA-N 0 0 533.335 3.462 40 30 KGEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(N)=O)c(OC)c1 ZINC000409312263 1059955077 /nfs/dbraw/zinc/95/50/77/1059955077.db2.gz KGRGRRWLKMYPMQ-CYBMUJFWSA-N 0 0 517.380 3.436 40 30 KGEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(N)=O)c(OC)c1 ZINC000409312266 1059955249 /nfs/dbraw/zinc/95/52/49/1059955249.db2.gz KGRGRRWLKMYPMQ-ZDUSSCGKSA-N 0 0 517.380 3.436 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409313671 1059954598 /nfs/dbraw/zinc/95/45/98/1059954598.db2.gz PBIKUUOYWVFKKZ-UHFFFAOYSA-N 0 0 558.389 3.140 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)OC ZINC000409313924 1059954684 /nfs/dbraw/zinc/95/46/84/1059954684.db2.gz JKXNLOYOVZFXOV-UHFFFAOYSA-N 0 0 503.309 3.454 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409316191 1059955602 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/nfs/dbraw/zinc/11/85/02/1059118502.db2.gz DPPHEQXILLCQHL-LJQANCHMSA-N 0 0 501.657 3.203 40 30 KGEBRN CCOCCN(CCOCC)C(=O)c1csc(Nc2cc(C3CCN(CC#N)CC3)nc(C)n2)n1 ZINC000585294152 1059119462 /nfs/dbraw/zinc/11/94/62/1059119462.db2.gz OVLMNOSHRXPHCJ-UHFFFAOYSA-N 0 0 501.657 3.203 40 30 KGEBRN Cc1nc(Nc2nc(C(=O)NCc3cccc(CN4CCOCC4)c3)cs2)cc([C@@H]2CCCN(CC#N)C2)n1 ZINC000585294887 1059118264 /nfs/dbraw/zinc/11/82/64/1059118264.db2.gz VWVBYAOFRCOQKH-HSZRJFAPSA-N 0 0 546.701 3.450 40 30 KGEBRN Cc1nc(Nc2nc(C(=O)NCc3cccc(CN4CCOCC4)c3)cs2)cc([C@H]2CCCN(CC#N)C2)n1 ZINC000585294888 1059118435 /nfs/dbraw/zinc/11/84/35/1059118435.db2.gz VWVBYAOFRCOQKH-QHCPKHFHSA-N 0 0 546.701 3.450 40 30 KGEBRN C=C1C(=O)O[C@H]2C=C(C)[C@@H](OC(C)=O)CC=C(C)C[C@@H](OC(=O)/C(=C/C)COC(=O)/C(=C/C)CO)[C@@H]12 ZINC000585660615 1059581092 /nfs/dbraw/zinc/58/10/92/1059581092.db2.gz GBKBPIXSSQJOPJ-AIBHSURCSA-N 0 0 502.560 3.042 40 30 biogenic,in-vitro KGEBRN C=CCOc1c(Br)cc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCC)NN32)cc1OCC ZINC000588225490 1059544174 /nfs/dbraw/zinc/54/41/74/1059544174.db2.gz NPEAEGVRHFDIHO-NRFANRHFSA-N 0 0 515.433 3.309 40 30 KGEBRN C=CCOc1c(Br)cc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCC)NN32)cc1OCC ZINC000588225491 1059544278 /nfs/dbraw/zinc/54/42/78/1059544278.db2.gz NPEAEGVRHFDIHO-OAQYLSRUSA-N 0 0 515.433 3.309 40 30 KGEBRN C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3cc(Br)ccc3OC)N2N1 ZINC000588226685 1059544700 /nfs/dbraw/zinc/54/47/00/1059544700.db2.gz OTLUNEOBDSBYNX-GOSISDBHSA-N 0 0 536.249 3.282 40 30 KGEBRN C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3cc(Br)ccc3OC)N2N1 ZINC000588226686 1059544813 /nfs/dbraw/zinc/54/48/13/1059544813.db2.gz OTLUNEOBDSBYNX-SFHVURJKSA-N 0 0 536.249 3.282 40 30 KGEBRN C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3cc(I)c(OC)c(OC)c3)N2N1 ZINC000588226940 1059546178 /nfs/dbraw/zinc/54/61/78/1059546178.db2.gz UNYOTLLBKLQEEZ-IBGZPJMESA-N 0 0 613.275 3.133 40 30 KGEBRN C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3cc(I)c(OC)c(OC)c3)N2N1 ZINC000588226941 1059546220 /nfs/dbraw/zinc/54/62/20/1059546220.db2.gz UNYOTLLBKLQEEZ-LJQANCHMSA-N 0 0 613.275 3.133 40 30 KGEBRN CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)ON1C(=O)CCC1=O ZINC000644163771 1060025770 /nfs/dbraw/zinc/02/57/70/1060025770.db2.gz DLFRCISYWZDQHE-QGZVFWFLSA-N 0 0 511.959 3.237 40 30 KGEBRN C=C1[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]2(OC(C)=O)C(=O)C(C)=CCC(C)(C)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@H]1OC(C)=O ZINC000958317922 1060005025 /nfs/dbraw/zinc/00/50/25/1060005025.db2.gz KLSSFMQBLMDBRQ-PAKSJQHXSA-N 0 0 692.755 3.310 40 30 KGEBRN C=C1[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]2(OC(C)=O)C(=O)C(C)=CCC(C)(C)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@H]1OC(C)=O ZINC000958317923 1060005094 /nfs/dbraw/zinc/00/50/94/1060005094.db2.gz KLSSFMQBLMDBRQ-RUPFIVDFSA-N 0 0 692.755 3.310 40 30 KGEBRN CO[C@@H]1C=CO[C@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C(=CNN1CCN(C)CC1)C4=O)C2=O ZINC001529018642 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CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc([N+](=O)[O-])ccc1OCC(N)=O ZINC001531142619 1060036432 /nfs/dbraw/zinc/03/64/32/1060036432.db2.gz JXACPYCYDDBPQA-VROXFSQNSA-N 0 0 502.325 3.111 40 30 KGEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531142692 1060037137 /nfs/dbraw/zinc/03/71/37/1060037137.db2.gz QEVSITNXCJLWOR-VYYCAZPPSA-N 0 0 572.416 3.485 40 30 KGEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCC(N)=O ZINC001531157483 1060037001 /nfs/dbraw/zinc/03/70/01/1060037001.db2.gz JQTRWRXQDOEEDG-MRUKODCESA-N 0 0 532.351 3.120 40 30 KGEBRN CN(C)c1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(OCC(N)=O)c1 ZINC001531162064 1060037023 /nfs/dbraw/zinc/03/70/23/1060037023.db2.gz VSWHVNNFDWVLKN-ZRGSRPPYSA-N 0 0 500.397 3.269 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(N)=O)c(OC)c1 ZINC001531163057 1060037065 /nfs/dbraw/zinc/03/70/65/1060037065.db2.gz JLGOLCXVVHHDMT-KIBLKLHPSA-N 0 0 599.223 3.471 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC001531170339 1060037180 /nfs/dbraw/zinc/03/71/80/1060037180.db2.gz HVLBNQWNAXQTAL-JFLMPSFJSA-N 0 0 543.418 3.240 40 30 KGEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cccc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC001531180258 1060037086 /nfs/dbraw/zinc/03/70/86/1060037086.db2.gz QUWMGTXZAGWVGV-VYYCAZPPSA-N 0 0 572.416 3.485 40 30 KGEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cccc([N+](=O)[O-])c1OCC(N)=O ZINC001531208194 1060037158 /nfs/dbraw/zinc/03/71/58/1060037158.db2.gz QENRHRCDHNVPRS-VROXFSQNSA-N 0 0 502.325 3.111 40 30 KGEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531209971 1060036968 /nfs/dbraw/zinc/03/69/68/1060036968.db2.gz PWHVSCZWYNMSAO-VROXFSQNSA-N 0 0 502.325 3.111 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCC(=O)N1CCOCC1 ZINC001531226812 1060037044 /nfs/dbraw/zinc/03/70/44/1060037044.db2.gz FLAMBOAVVBCMFC-CVKSISIWSA-N 0 0 513.392 3.231 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCC(N)=O ZINC001531230074 1060037113 /nfs/dbraw/zinc/03/71/13/1060037113.db2.gz OQUGJBKBQHBWQH-PGGKNCGUSA-N 0 0 522.743 3.419 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCC(=O)N2CCOCC2)c1 ZINC001531234481 1060037624 /nfs/dbraw/zinc/03/76/24/1060037624.db2.gz ZCBWKODCUWKKSI-CVKSISIWSA-N 0 0 513.392 3.231 40 30 KGEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(N)=O ZINC001531236252 1060037734 /nfs/dbraw/zinc/03/77/34/1060037734.db2.gz SBCBRTCBBGKKPL-BHGWPJFGSA-N 0 0 502.325 3.156 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001531245207 1060037648 /nfs/dbraw/zinc/03/76/48/1060037648.db2.gz VPYDHDNFOWPHMG-FOKLQQMPSA-N 0 0 503.309 3.454 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC001531249391 1060037670 /nfs/dbraw/zinc/03/76/70/1060037670.db2.gz APULJJBEVBJNLJ-CVKSISIWSA-N 0 0 513.392 3.231 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531249503 1060037560 /nfs/dbraw/zinc/03/75/60/1060037560.db2.gz PIYKMMFQADJCTL-MZJWZYIUSA-N 0 0 588.415 3.148 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001531254769 1060037716 /nfs/dbraw/zinc/03/77/16/1060037716.db2.gz FAZWMKLBVRTIRQ-BHGWPJFGSA-N 0 0 533.335 3.462 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(=O)OC ZINC001531254823 1060037583 /nfs/dbraw/zinc/03/75/83/1060037583.db2.gz JKXNLOYOVZFXOV-FOKLQQMPSA-N 0 0 503.309 3.454 40 30 KGEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531264794 1060037699 /nfs/dbraw/zinc/03/76/99/1060037699.db2.gz GFBVVQWFMSSQKA-LYORIEDSSA-N 0 0 502.325 3.327 40 30 KGEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531264798 1060037605 /nfs/dbraw/zinc/03/76/05/1060037605.db2.gz GFBVVQWFMSSQKA-ZCUUTASWSA-N 0 0 502.325 3.327 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531264960 1060037758 /nfs/dbraw/zinc/03/77/58/1060037758.db2.gz PBIKUUOYWVFKKZ-VULFUBBASA-N 0 0 558.389 3.140 40 30 KGEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c(OC)c1 ZINC001531269803 1060038139 /nfs/dbraw/zinc/03/81/39/1060038139.db2.gz KGRGRRWLKMYPMQ-LGXUHMPSSA-N 0 0 517.380 3.436 40 30 KGEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c(OC)c1 ZINC001531269804 1060038112 /nfs/dbraw/zinc/03/81/12/1060038112.db2.gz KGRGRRWLKMYPMQ-RCMPGLAHSA-N 0 0 517.380 3.436 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC001531282295 1060038280 /nfs/dbraw/zinc/03/82/80/1060038280.db2.gz MKHXCXPPROBADR-VULFUBBASA-N 0 0 558.389 3.140 40 30 KGEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCC(N)=O ZINC001531292249 1060038270 /nfs/dbraw/zinc/03/82/70/1060038270.db2.gz JMXUTSUBCUHDLX-IETDBYTCSA-N 0 0 500.397 3.485 40 30 KGEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCC(N)=O ZINC001531292256 1060038253 /nfs/dbraw/zinc/03/82/53/1060038253.db2.gz JMXUTSUBCUHDLX-SVLFYUKMSA-N 0 0 500.397 3.485 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(=O)OC ZINC001531292318 1060038231 /nfs/dbraw/zinc/03/82/31/1060038231.db2.gz LSNWWELVOBCZBT-FOKLQQMPSA-N 0 0 503.309 3.454 40 30 KGEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(N)=O ZINC001531297867 1060038185 /nfs/dbraw/zinc/03/81/85/1060038185.db2.gz WPWCTWZXFQQCCG-LYORIEDSSA-N 0 0 502.325 3.327 40 30 KGEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(N)=O ZINC001531297868 1060038314 /nfs/dbraw/zinc/03/83/14/1060038314.db2.gz WPWCTWZXFQQCCG-ZCUUTASWSA-N 0 0 502.325 3.327 40 30 KGEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(N)=O ZINC001531303332 1060038208 /nfs/dbraw/zinc/03/82/08/1060038208.db2.gz BJJUNAIASDABGO-LYORIEDSSA-N 0 0 502.325 3.327 40 30 KGEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(N)=O ZINC001531303333 1060038858 /nfs/dbraw/zinc/03/88/58/1060038858.db2.gz BJJUNAIASDABGO-ZCUUTASWSA-N 0 0 502.325 3.327 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCC(=O)N1CCOCC1 ZINC001531304597 1060038763 /nfs/dbraw/zinc/03/87/63/1060038763.db2.gz LMVYWMBWHZEWJS-LQKURTRISA-N 0 0 556.461 3.297 40 30 KGEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531309890 1060038675 /nfs/dbraw/zinc/03/86/75/1060038675.db2.gz KVTUEVLVYBRBCQ-OPEKNORGSA-N 0 0 532.351 3.165 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531309974 1060038817 /nfs/dbraw/zinc/03/88/17/1060038817.db2.gz GHEZCTGYYGPLLX-PGGKNCGUSA-N 0 0 522.743 3.419 40 30 KGEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCC(N)=O ZINC001531317348 1060038699 /nfs/dbraw/zinc/03/86/99/1060038699.db2.gz DNANGKWBKFQBEK-LGJNPRDNSA-N 0 0 500.397 3.314 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(N)=O)c(I)c1 ZINC001531317351 1060038838 /nfs/dbraw/zinc/03/88/38/1060038838.db2.gz DRWKGYFIBVNIMC-YSURURNPSA-N 0 0 569.197 3.462 40 30 KGEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c(OC)c1 ZINC001531317764 1060038879 /nfs/dbraw/zinc/03/88/79/1060038879.db2.gz SAPDOMGKFIHOHH-RPPGKUMJSA-N 0 0 517.380 3.265 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531317771 1060038740 /nfs/dbraw/zinc/03/87/40/1060038740.db2.gz SVGRCDWLVQASHK-OPEKNORGSA-N 0 0 532.351 3.165 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 ZINC001531326127 1060038783 /nfs/dbraw/zinc/03/87/83/1060038783.db2.gz AATFEICTNJLCFQ-VULFUBBASA-N 0 0 558.389 3.140 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC001531333125 1060038719 /nfs/dbraw/zinc/03/87/19/1060038719.db2.gz BHZRTCZTUAYWAF-RWPZCVJISA-N 0 0 573.444 3.249 40 30 KGEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531333346 1060039286 /nfs/dbraw/zinc/03/92/86/1060039286.db2.gz HHEOQKSZRPMLPQ-BHGWPJFGSA-N 0 0 502.325 3.156 40 30 KGEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCC(=O)N1CCOCC1 ZINC001531339366 1060039354 /nfs/dbraw/zinc/03/93/54/1060039354.db2.gz LJHNJMPQIGMXAJ-JFLMPSFJSA-N 0 0 543.418 3.240 40 30 KGEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531339523 1060039319 /nfs/dbraw/zinc/03/93/19/1060039319.db2.gz UQJDUQKMUHWRHK-LPUHGPTISA-N 0 0 532.351 3.336 40 30 KGEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531339524 1060039234 /nfs/dbraw/zinc/03/92/34/1060039234.db2.gz UQJDUQKMUHWRHK-LUKCILAXSA-N 0 0 532.351 3.336 40 30 KGEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(N)=O ZINC001531342938 1060039248 /nfs/dbraw/zinc/03/92/48/1060039248.db2.gz RIFFABVNRKNPHY-BHGWPJFGSA-N 0 0 502.325 3.156 40 30 KGEBRN COc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc(I)c1OCC(N)=O ZINC001531382737 1060039336 /nfs/dbraw/zinc/03/93/36/1060039336.db2.gz JKHUGGMZQXHDJJ-UVHMKAGCSA-N 0 0 554.344 3.423 40 30 KGEBRN O=C(COc1ccc([N+](=O)[O-])cc1/C=N/n1c(=O)c2ccccc2nc1-c1ccccc1)N1CCOCC1 ZINC001531384119 1060039301 /nfs/dbraw/zinc/03/93/01/1060039301.db2.gz DVIHTYXNKAYSJC-OGLMXYFKSA-N 0 0 513.510 3.092 40 30 KGEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC001531384245 1060039371 /nfs/dbraw/zinc/03/93/71/1060039371.db2.gz FSNLPDYYBLLLEK-STBIYBPSSA-N 0 0 543.536 3.100 40 30 KGEBRN NC(=O)COc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1I ZINC001531384366 1060039213 /nfs/dbraw/zinc/03/92/13/1060039213.db2.gz ZMMPSTUWKNUGCD-LGJNPRDNSA-N 0 0 524.318 3.414 40 30 KGEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC001531384770 1060039807 /nfs/dbraw/zinc/03/98/07/1060039807.db2.gz MIKDFNZMVACOFQ-UXHLAJHPSA-N 0 0 557.563 3.490 40 30 KGEBRN NC(=O)COc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531384871 1060039975 /nfs/dbraw/zinc/03/99/75/1060039975.db2.gz NXNGOIVZBSVSCU-RPPGKUMJSA-N 0 0 522.315 3.481 40 30 KGEBRN O=C(COc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-])N1CCOCC1 ZINC001531384901 1060039744 /nfs/dbraw/zinc/03/97/44/1060039744.db2.gz ORQHPWWFNFSQGM-OGLMXYFKSA-N 0 0 513.510 3.092 40 30 KGEBRN CN(C)c1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(OCC(=O)N2CCOCC2)c1 ZINC001531385267 1060039825 /nfs/dbraw/zinc/03/98/25/1060039825.db2.gz UMMOZFOGYABGOK-NDZAJKAJSA-N 0 0 511.582 3.249 40 30 KGEBRN NC(=O)COc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC001531385288 1060039891 /nfs/dbraw/zinc/03/98/91/1060039891.db2.gz DYCYBYICXCRTHW-RPPGKUMJSA-N 0 0 522.315 3.481 40 30 KGEBRN O=C(COc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cccc1[N+](=O)[O-])N1CCOCC1 ZINC001531385499 1060039956 /nfs/dbraw/zinc/03/99/56/1060039956.db2.gz XWIMTGLLGJMLNE-OGLMXYFKSA-N 0 0 513.510 3.092 40 30 KGEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(OC)c1OCC(=O)N1CCOCC1 ZINC001531385616 1060039722 /nfs/dbraw/zinc/03/97/22/1060039722.db2.gz ZFRSOTULAZRYOH-UXHLAJHPSA-N 0 0 528.565 3.201 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NC[C@@H](C)O)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547138200 1060041188 /nfs/dbraw/zinc/04/11/88/1060041188.db2.gz AULJITJIBWQGLP-CQVNMVIKSA-N 0 0 588.009 3.492 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NC[C@@H](C)O)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547138201 1060041400 /nfs/dbraw/zinc/04/14/00/1060041400.db2.gz AULJITJIBWQGLP-PHWJNQLYSA-N 0 0 588.009 3.492 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C(=CNCCc2nc(-c3ccccn3)no2)C(=O)C[C@H]1C ZINC001547138215 1060041327 /nfs/dbraw/zinc/04/13/27/1060041327.db2.gz BQRWNJMTQHHYCJ-ZINBHQDNSA-N 0 0 538.944 3.010 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCO)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547138502 1060041246 /nfs/dbraw/zinc/04/12/46/1060041246.db2.gz MMSCZROOLGLURQ-JRJBARMQSA-N 0 0 573.982 3.103 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCO)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547138508 1060041344 /nfs/dbraw/zinc/04/13/44/1060041344.db2.gz MMSCZROOLGLURQ-XYQNDFJNSA-N 0 0 573.982 3.103 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N2CCN(c3ncccc3C#N)CC2)C[C@H]1C ZINC001547138643 1060041744 /nfs/dbraw/zinc/04/17/44/1060041744.db2.gz ORCJIIHIROIYLV-WZQKQDCOSA-N 0 0 508.962 3.253 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N2CCN(S(C)(=O)=O)CC2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547138677 1060041985 /nfs/dbraw/zinc/04/19/85/1060041985.db2.gz PLBGRMXHKRCBEI-OERWEXPNSA-N 0 0 679.144 3.084 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N2CCN(S(C)(=O)=O)CC2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547138680 1060041798 /nfs/dbraw/zinc/04/17/98/1060041798.db2.gz PLBGRMXHKRCBEI-YSZKKOMBSA-N 0 0 679.144 3.084 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@@H](C)C(=O)NCc2cc(=O)n(C)c(=O)n2C)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138910 1060041960 /nfs/dbraw/zinc/04/19/60/1060041960.db2.gz HYXXCVUGKSLVRX-LNQWEKFOSA-N 0 0 755.246 3.206 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N[C@@H](C)C(=O)NCc2cc(=O)n(C)c(=O)n2C)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138912 1060041935 /nfs/dbraw/zinc/04/19/35/1060041935.db2.gz HYXXCVUGKSLVRX-XCGDCDMOSA-N 0 0 755.246 3.206 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@@H]2c1ccc2c(c1)n(C)c(=O)n2C ZINC001547139101 1060042673 /nfs/dbraw/zinc/04/26/73/1060042673.db2.gz GIPFYLONNHLSAP-RVTQWTDJSA-N 0 0 619.034 3.060 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@H]2c1ccc2c(c1)n(C)c(=O)n2C ZINC001547139103 1060042339 /nfs/dbraw/zinc/04/23/39/1060042339.db2.gz GIPFYLONNHLSAP-ZVUBDQBNSA-N 0 0 619.034 3.060 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N2CCN(Cc3cnc(NC(C)=O)s3)CC2)C[C@H]1C ZINC001547139150 1060042575 /nfs/dbraw/zinc/04/25/75/1060042575.db2.gz IUKNUEPQWPORAO-PTFIGZPYSA-N 0 0 561.060 3.397 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C(=CN[C@@H](Cc2ccccc2)c2nc[nH]n2)C(=O)C[C@H]1C ZINC001547139152 1060042540 /nfs/dbraw/zinc/04/25/40/1060042540.db2.gz JLAPIZARGCKQCX-ADVXUYKPSA-N 0 0 536.972 3.425 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C(=CN[C@H](Cc2ccccc2)c2nc[nH]n2)C(=O)C[C@H]1C ZINC001547139155 1060042632 /nfs/dbraw/zinc/04/26/32/1060042632.db2.gz JLAPIZARGCKQCX-SVDYGWEVSA-N 0 0 536.972 3.425 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N2CCN(C(=O)c3ccco3)CC2)C[C@H]1C ZINC001547139221 1060042320 /nfs/dbraw/zinc/04/23/20/1060042320.db2.gz MBUYHHCUXNPGPE-PWECECGKSA-N 0 0 500.935 3.215 40 30 KGEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139412 1060043088 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