smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000019662157 132468627 /nfs/dbraw/zinc/46/86/27/132468627.db2.gz JCGCNSRZNXXIKY-LJQANCHMSA-N 0 0 410.533 4.742 40 10 HJCBRN O=C(NCc1ccc(N2CCCCC2)cc1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000019662061 132468636 /nfs/dbraw/zinc/46/86/36/132468636.db2.gz LFIFUGKUVCYLQX-UHFFFAOYSA-N 0 0 412.961 4.695 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000032181165 522867726 /nfs/dbraw/zinc/86/77/26/522867726.db2.gz WSWSPXOTPNZZIB-WJDWOHSUSA-N 0 0 418.276 4.879 40 10 HJCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNNc1ccc(Cl)cc1 ZINC000408536796 557334935 /nfs/dbraw/zinc/33/49/35/557334935.db2.gz YDVVERIGTHYAFN-YBEGLDIGSA-N 0 0 419.710 4.634 40 10 HJCBRN Cc1cc(/C=C/c2ccc3c(c2)C(=O)c2ccccc2C3=O)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003845331 557500372 /nfs/dbraw/zinc/50/03/72/557500372.db2.gz LBVWQCMBLVLGJT-SOFGYWHQSA-N 0 0 414.373 4.757 40 10 HJCBRN CC[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000005370993 557647605 /nfs/dbraw/zinc/64/76/05/557647605.db2.gz MNSOCRABMLTMEK-GNYOSYSBSA-N 0 0 414.596 4.625 40 10 HJCBRN CCOc1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC ZINC000005371452 557647763 /nfs/dbraw/zinc/64/77/63/557647763.db2.gz CGDABRFQAVTXPC-UNOMPAQXSA-N 0 0 413.520 4.702 40 10 HJCBRN COCCCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S ZINC000009189322 557826644 /nfs/dbraw/zinc/82/66/44/557826644.db2.gz FTJNJKNHPSDFFY-ZHZULCJRSA-N 0 0 413.564 4.812 40 10 HJCBRN CCCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OCC)c2)SC1=S ZINC000036613113 558726406 /nfs/dbraw/zinc/72/64/06/558726406.db2.gz LNHOYLFNGZZWJZ-UKTHLTGXSA-N 0 0 416.362 4.555 40 10 HJCBRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000030854119 558740570 /nfs/dbraw/zinc/74/05/70/558740570.db2.gz RFHNIQLGUDFPAP-FQEVSTJZSA-N 0 0 404.963 4.568 40 10 HJCBRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000030854115 558740589 /nfs/dbraw/zinc/74/05/89/558740589.db2.gz RFHNIQLGUDFPAP-HXUWFJFHSA-N 0 0 404.963 4.568 40 10 HJCBRN COc1ccc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)cc1Cn1cccn1 ZINC000019240078 558858745 /nfs/dbraw/zinc/85/87/45/558858745.db2.gz WHERAZDIVUKKMM-FQEVSTJZSA-N 0 0 424.595 4.840 40 10 HJCBRN COc1ccc(CN[C@@H](Cc2ccsc2)c2nccs2)cc1Cn1cccn1 ZINC000019559460 558920765 /nfs/dbraw/zinc/92/07/65/558920765.db2.gz MBZHKNJZHADQIN-IBGZPJMESA-N 0 0 410.568 4.532 40 10 HJCBRN COc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OC ZINC000004893414 560615512 /nfs/dbraw/zinc/61/55/12/560615512.db2.gz IJMDOAYEENUADT-NVNXTCNLSA-N 0 0 401.256 4.756 40 10 HJCBRN COc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)OC4(CCCC4)OC3=O)c2c1 ZINC000408768758 560638834 /nfs/dbraw/zinc/63/88/34/560638834.db2.gz KCXOSPZTVPMQOF-UHFFFAOYSA-N 0 0 403.434 4.597 40 10 HJCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccc(Br)cc2)N1c1ccc(O)cc1 ZINC000408839847 560645911 /nfs/dbraw/zinc/64/59/11/560645911.db2.gz AWKDUUSMFQPIQK-XSFVSMFZSA-N 0 0 419.278 4.989 40 10 HJCBRN COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(C)cc1 ZINC000408844970 560646472 /nfs/dbraw/zinc/64/64/72/560646472.db2.gz PVESIGISUFKDGH-HAVVHWLPSA-N 0 0 411.505 4.904 40 10 HJCBRN COc1ccc(C=C2SC(=S)NC2=O)cc1OC(=O)c1cccc2ccccc21 ZINC000408886894 560650236 /nfs/dbraw/zinc/65/02/36/560650236.db2.gz JRWKIHRZKHATCG-UNOMPAQXSA-N 0 0 421.499 4.556 40 10 HJCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OC ZINC000408901394 560651288 /nfs/dbraw/zinc/65/12/88/560651288.db2.gz DWZUUKOSMRFQRX-MHWRWJLKSA-N 0 0 415.287 4.663 40 10 HJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408904763 560651832 /nfs/dbraw/zinc/65/18/32/560651832.db2.gz OHKBKCJBMVMLMR-PXLXIMEGSA-N 0 0 413.433 4.980 40 10 HJCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408903433 560652430 /nfs/dbraw/zinc/65/24/30/560652430.db2.gz XTNLQZIMPLAMAT-HMAPJEAMSA-N 0 0 400.438 4.808 40 10 HJCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000408936382 560656046 /nfs/dbraw/zinc/65/60/46/560656046.db2.gz FTKGOJQLNDHMPN-PXLXIMEGSA-N 0 0 414.436 4.847 40 10 HJCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000408945910 560656519 /nfs/dbraw/zinc/65/65/19/560656519.db2.gz XRVWPCZASNXHIK-HZHRSRAPSA-N 0 0 414.436 4.847 40 10 HJCBRN CCCSC1=N[C@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408989452 560662064 /nfs/dbraw/zinc/66/20/64/560662064.db2.gz KTLMNWDNXWWSAX-OAQYLSRUSA-N 0 0 408.571 4.809 40 10 HJCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N=C(SC(C)C)N1 ZINC000408992856 560662158 /nfs/dbraw/zinc/66/21/58/560662158.db2.gz USVZNRRDRCBQNB-NRFANRHFSA-N 0 0 408.571 4.807 40 10 HJCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409022470 560667031 /nfs/dbraw/zinc/66/70/31/560667031.db2.gz PISLQNZFJIVJDT-HMAPJEAMSA-N 0 0 405.494 4.594 40 10 HJCBRN CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2Cl)S1 ZINC000409025435 560667906 /nfs/dbraw/zinc/66/79/06/560667906.db2.gz RDYQEVUSYGDHRD-MFOYZWKCSA-N 0 0 421.305 4.679 40 10 HJCBRN CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O ZINC000409063806 560672155 /nfs/dbraw/zinc/67/21/55/560672155.db2.gz AFOQFLIQXBNRDQ-YBEGLDIGSA-N 0 0 405.317 4.913 40 10 HJCBRN O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000409075515 560672949 /nfs/dbraw/zinc/67/29/49/560672949.db2.gz RFDLPHYEQSORGD-UNOMPAQXSA-N 0 0 400.450 4.802 40 10 HJCBRN COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 ZINC000409175399 560687114 /nfs/dbraw/zinc/68/71/14/560687114.db2.gz YQBUHHMNPBASOR-MTJSOVHGSA-N 0 0 421.884 4.853 40 10 HJCBRN CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000409340008 560711118 /nfs/dbraw/zinc/71/11/18/560711118.db2.gz OLJRYPGYOHJBQF-CAOOACKPSA-N 0 0 419.911 4.873 40 10 HJCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000409340532 560711257 /nfs/dbraw/zinc/71/12/57/560711257.db2.gz YSKCYCWTEIVVJZ-DHDCSXOGSA-N 0 0 406.872 4.663 40 10 HJCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000409370716 560716842 /nfs/dbraw/zinc/71/68/42/560716842.db2.gz DLLQHUAPFSVFQN-KPKJPENVSA-N 0 0 414.295 4.524 40 10 HJCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(OCC)cc1 ZINC000103918962 560734887 /nfs/dbraw/zinc/73/48/87/560734887.db2.gz YSBOEFWKMXFPKG-QNGOZBTKSA-N 0 0 408.458 4.882 40 10 HJCBRN CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Br ZINC000106680219 560745187 /nfs/dbraw/zinc/74/51/87/560745187.db2.gz ALPXARHIXBTYNY-BOPFTXTBSA-N 0 0 417.328 4.752 40 10 HJCBRN Cc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)s1 ZINC000110422703 560765691 /nfs/dbraw/zinc/76/56/91/560765691.db2.gz ZPKMPRWSANKUKB-FRKPEAEDSA-N 0 0 418.609 4.505 40 10 HJCBRN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Cl)c(Cl)c1 ZINC000112286156 560777886 /nfs/dbraw/zinc/77/78/86/560777886.db2.gz RFHUEBFCSZZHRT-UNOMPAQXSA-N 0 0 418.280 4.645 40 10 HJCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCc2cccs2)cc1 ZINC000112289664 560778161 /nfs/dbraw/zinc/77/81/61/560778161.db2.gz WCYAZMSGDVSDOM-QNGOZBTKSA-N 0 0 421.497 4.711 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1Br ZINC000014406557 560845587 /nfs/dbraw/zinc/84/55/87/560845587.db2.gz QGBDLZPYSFEOHQ-LGMDPLHJSA-N 0 0 412.283 4.716 40 10 HJCBRN CC(Nc1ccc(F)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000017090547 560865343 /nfs/dbraw/zinc/86/53/43/560865343.db2.gz GMFGYBRRGAVGAC-QNGOZBTKSA-N 0 0 416.412 4.871 40 10 HJCBRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000218120053 568475249 /nfs/dbraw/zinc/47/52/49/568475249.db2.gz RMKJCJPWZRWTCR-HNNXBMFYSA-N 0 0 401.894 4.976 40 10 HJCBRN COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218741170 568483227 /nfs/dbraw/zinc/48/32/27/568483227.db2.gz ICGIIAVZDGUPPF-WOJBJXKFSA-N 0 0 410.558 4.968 40 10 HJCBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000218757610 568483309 /nfs/dbraw/zinc/48/33/09/568483309.db2.gz GGZAJRXUMAKNNO-NTKDMRAZSA-N 0 0 410.558 4.966 40 10 HJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ncccc1C ZINC000222621133 568521053 /nfs/dbraw/zinc/52/10/53/568521053.db2.gz RLBWTCVAASVFEX-ORYQWCPZSA-N 0 0 403.555 4.782 40 10 HJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(C)cn1 ZINC000222621479 568521099 /nfs/dbraw/zinc/52/10/99/568521099.db2.gz CRGHJMMWLMDKPV-SSKFGXFMSA-N 0 0 403.555 4.782 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000222875720 568529281 /nfs/dbraw/zinc/52/92/81/568529281.db2.gz NOTFGAUTJZBZRG-YADHBBJMSA-N 0 0 406.555 4.577 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000222882878 568529415 /nfs/dbraw/zinc/52/94/15/568529415.db2.gz GRGKACBDNWXZPM-YADHBBJMSA-N 0 0 405.571 4.575 40 10 HJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(O)cc1 ZINC000222921625 568531045 /nfs/dbraw/zinc/53/10/45/568531045.db2.gz JTCJCOPHYOZPEO-PKTZIBPZSA-N 0 0 420.582 4.823 40 10 HJCBRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000223328167 568545401 /nfs/dbraw/zinc/54/54/01/568545401.db2.gz FBUJKPIXJLNKRT-UXHICEINSA-N 0 0 406.570 4.885 40 10 HJCBRN C[C@@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000223952585 568564316 /nfs/dbraw/zinc/56/43/16/568564316.db2.gz DWGLCGDHQGVELR-GOSISDBHSA-N 0 0 409.603 4.547 40 10 HJCBRN c1ccc2c(c1)c(N1CCOCC1)cc1c2O[C@@H]2CCCC[C@@]2(N2CCCCC2)O1 ZINC000020528599 568625705 /nfs/dbraw/zinc/62/57/05/568625705.db2.gz NYEAMANZCHMFME-ILBGXUMGSA-N 0 0 408.542 4.572 40 10 HJCBRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000225420343 568636156 /nfs/dbraw/zinc/63/61/56/568636156.db2.gz MCUMTZRAGQQQFJ-VQIMIIECSA-N 0 0 416.587 4.588 40 10 HJCBRN C[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225657259 568660718 /nfs/dbraw/zinc/66/07/18/568660718.db2.gz GGODFHQTHUSJGV-SFHVURJKSA-N 0 0 424.614 4.672 40 10 HJCBRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c(C)c1 ZINC000225695988 568665352 /nfs/dbraw/zinc/66/53/52/568665352.db2.gz IOJAAWGJQWWGPQ-KRWDZBQOSA-N 0 0 411.571 4.820 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1 ZINC000058602509 568699711 /nfs/dbraw/zinc/69/97/11/568699711.db2.gz AWCBBLTZZVGVTQ-XNTDXEJSSA-N 0 0 406.326 4.864 40 10 HJCBRN CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N(c2ccccc2)C1=O ZINC000059138900 568701727 /nfs/dbraw/zinc/70/17/27/568701727.db2.gz QSVRAHCKRHXLNO-QGOAFFKASA-N 0 0 406.825 4.609 40 10 HJCBRN Cc1ccccc1N1C(=O)C(=Cc2ccccc2O)C(=O)N(c2ccccc2C)C1=O ZINC000059484137 568707615 /nfs/dbraw/zinc/70/76/15/568707615.db2.gz IJBVLOTYPMGQST-UHFFFAOYSA-N 0 0 412.445 4.592 40 10 HJCBRN COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260735159 568736945 /nfs/dbraw/zinc/73/69/45/568736945.db2.gz FTWQYVICJBICGY-IRXDYDNUSA-N 0 0 411.571 4.757 40 10 HJCBRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1C ZINC000260772741 568738664 /nfs/dbraw/zinc/73/86/64/568738664.db2.gz WGDKZHRLAFKSKQ-LPHOPBHVSA-N 0 0 416.587 4.588 40 10 HJCBRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1C ZINC000260772748 568738690 /nfs/dbraw/zinc/73/86/90/568738690.db2.gz WGDKZHRLAFKSKQ-QFBILLFUSA-N 0 0 416.587 4.588 40 10 HJCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000001219432 568837181 /nfs/dbraw/zinc/83/71/81/568837181.db2.gz QLDOGEQUKNLSRO-SXGWCWSVSA-N 0 0 423.918 4.946 40 10 HJCBRN CC(C)C1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(C(C)C)cc3)C2=N)S1 ZINC000013281071 569254799 /nfs/dbraw/zinc/25/47/99/569254799.db2.gz LKLNOXNFNFMVLN-BIWIXZEJSA-N 0 0 405.527 4.876 40 10 HJCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000060510592 569352408 /nfs/dbraw/zinc/35/24/08/569352408.db2.gz GLSHDGHKFBLRRK-UYRXBGFRSA-N 0 0 415.536 4.898 40 10 HJCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000006307889 569359922 /nfs/dbraw/zinc/35/99/22/569359922.db2.gz NQWWHCIQHFVMSU-ZHZULCJRSA-N 0 0 414.417 4.625 40 10 HJCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=N)S1 ZINC000041082892 519917129 /nfs/dbraw/zinc/91/71/29/519917129.db2.gz DSBOPFHBXJMEOT-DXGGMCDASA-N 0 0 411.918 4.940 40 10 HJCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(SCc4ccco4)o3)C2=N)S1 ZINC000041082908 519917268 /nfs/dbraw/zinc/91/72/68/519917268.db2.gz FRGKAUUJKQBCNU-IUUVDYQKSA-N 0 0 414.512 4.974 40 10 HJCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=N)S1 ZINC000041083549 525344431 /nfs/dbraw/zinc/34/44/31/525344431.db2.gz BNSGDOJFAZAOKM-OXMFYWCOSA-N 0 0 423.567 4.651 40 10 HJCBRN N=C1/C(=C/c2cccn2-c2cccc(F)c2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000041076361 526837124 /nfs/dbraw/zinc/83/71/24/526837124.db2.gz LLRYZCMFHWJMDN-DHKQOHTGSA-N 0 0 421.501 4.816 40 10 HJCBRN CC(C)COc1ccccc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000408598870 557509508 /nfs/dbraw/zinc/50/95/08/557509508.db2.gz BYVUPILCOHTZBK-DJKKODMXSA-N 0 0 413.520 4.856 40 10 HJCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCCC1 ZINC000005376059 557649039 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HJCBRN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc(I)cc1 ZINC000013590835 560817312 /nfs/dbraw/zinc/81/73/12/560817312.db2.gz XHBGSYPDLDCOHU-WJDWOHSUSA-N 0 0 419.291 4.811 40 10 HJCBRN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217872546 568474210 /nfs/dbraw/zinc/47/42/10/568474210.db2.gz NBLBWIFZZOHGNA-HUUCEWRRSA-N 0 0 401.894 4.976 40 10 HJCBRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219358742 568490590 /nfs/dbraw/zinc/49/05/90/568490590.db2.gz LNWQRIYADVYMFJ-YDIMBITNSA-N 0 0 410.558 4.966 40 10 HJCBRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219358655 568490603 /nfs/dbraw/zinc/49/06/03/568490603.db2.gz NZLQBXWAUCBSCK-DVECYGJZSA-N 0 0 410.558 4.966 40 10 HJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 ZINC000222831581 568527720 /nfs/dbraw/zinc/52/77/20/568527720.db2.gz OGXCCMJZNRNGEO-DHIUTWEWSA-N 0 0 420.582 4.879 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 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AIKKHGIMPAMBMI-URZJWIJPSA-N 0 0 408.571 4.670 40 10 HJCBRN Cc1ccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(C)c1 ZINC000001850143 569320474 /nfs/dbraw/zinc/32/04/74/569320474.db2.gz IARQEQDAJDPEFY-CAMSTOTOSA-N 0 0 408.548 4.700 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(OC)c3)SC2=S)cc1 ZINC000057546834 569352309 /nfs/dbraw/zinc/35/23/09/569352309.db2.gz WZVKLXBZEHRWOH-XDHOZWIPSA-N 0 0 415.536 4.897 40 10 HJCBRN O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000108077256 569361251 /nfs/dbraw/zinc/36/12/51/569361251.db2.gz YUFSXJYJOOCGKM-NVNXTCNLSA-N 0 0 424.316 4.656 40 10 HJCBRN COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000006395083 569360086 /nfs/dbraw/zinc/36/00/86/569360086.db2.gz DVTDJUADWACXNN-KQWNVCNZSA-N 0 0 417.505 4.881 40 10 HJCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cccc(Br)c3)C2=N)S1 ZINC000041083130 519946100 /nfs/dbraw/zinc/94/61/00/519946100.db2.gz FPEXWCCTBGZBNL-DDRPPYOZSA-N 0 0 405.321 4.649 40 10 HJCBRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 ZINC000225695954 521471422 /nfs/dbraw/zinc/47/14/22/521471422.db2.gz SPMWWXMLZKYFHF-QGZVFWFLSA-N 0 0 411.571 4.820 40 10 HJCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\SC(=O)N(C(C)C)C3=O)c2C)c1 ZINC000032109812 521983245 /nfs/dbraw/zinc/98/32/45/521983245.db2.gz RBEYTAFFRFWFKY-ODLFYWEKSA-N 0 0 412.511 4.634 40 10 HJCBRN CN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)SC1=S ZINC000041077633 523674136 /nfs/dbraw/zinc/67/41/36/523674136.db2.gz FPYDNDDUPIJEPB-ATVHPVEESA-N 0 0 405.928 4.629 40 10 HJCBRN Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000044854098 527450302 /nfs/dbraw/zinc/45/03/02/527450302.db2.gz YBQRZZCVLVKPIX-FQEVSTJZSA-N 0 0 416.569 4.967 40 10 HJCBRN CCOc1ccccc1N1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S ZINC000006080551 557686644 /nfs/dbraw/zinc/68/66/44/557686644.db2.gz RXUVZWDWFYUGTM-SFQUDFHCSA-N 0 0 401.509 4.508 40 10 HJCBRN COc1cc(/C=C2\SC(N3CCCC3)=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000006476484 557704484 /nfs/dbraw/zinc/70/44/84/557704484.db2.gz HYKMFTFEDGYTPR-STZFKDTASA-N 0 0 408.523 4.649 40 10 HJCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408751932 557815958 /nfs/dbraw/zinc/81/59/58/557815958.db2.gz AMWBVUONZIMGLN-PXLXIMEGSA-N 0 0 402.425 4.765 40 10 HJCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000004551749 558701880 /nfs/dbraw/zinc/70/18/80/558701880.db2.gz SZWMQQDHKCDUBT-NVNXTCNLSA-N 0 0 409.891 4.556 40 10 HJCBRN CN(CCCNC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1 ZINC000033776403 558771327 /nfs/dbraw/zinc/77/13/27/558771327.db2.gz MJQYMAKAFLXRHT-UHFFFAOYSA-N 0 0 412.784 4.915 40 10 HJCBRN Cc1ccc(S(=O)(=O)NN=c2[nH]c(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000016310410 558785021 /nfs/dbraw/zinc/78/50/21/558785021.db2.gz SUUNFMHAMZSKEX-UHFFFAOYSA-N 0 0 414.339 4.731 40 10 HJCBRN C[C@@H](NC(=O)C1(c2ccccc2F)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000019662195 558953212 /nfs/dbraw/zinc/95/32/12/558953212.db2.gz RRTNMGWVJSMSPC-LJQANCHMSA-N 0 0 410.533 4.742 40 10 HJCBRN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1ccc(F)cc1 ZINC000000924812 560556727 /nfs/dbraw/zinc/55/67/27/560556727.db2.gz DKOJXZKMYWACBN-LJQANCHMSA-N 0 0 411.502 4.599 40 10 HJCBRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(F)c1 ZINC000001217809 560571634 /nfs/dbraw/zinc/57/16/34/560571634.db2.gz PVHKJXWLXGLITH-PTNGSMBKSA-N 0 0 406.529 4.507 40 10 HJCBRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)cc1 ZINC000001218214 560571729 /nfs/dbraw/zinc/57/17/29/560571729.db2.gz PDLGVVFVYPSVFB-PTNGSMBKSA-N 0 0 406.529 4.507 40 10 HJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408763318 560629430 /nfs/dbraw/zinc/62/94/30/560629430.db2.gz OZMWUECWSZSVDJ-PXLXIMEGSA-N 0 0 414.436 4.755 40 10 HJCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(F)cc2)cc1 ZINC000408764752 560629652 /nfs/dbraw/zinc/62/96/52/560629652.db2.gz JVVKOJXOIHOUFQ-KGENOOAVSA-N 0 0 401.397 4.877 40 10 HJCBRN CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCc3cccc4ccccc43)c2)S1 ZINC000408765577 560629778 /nfs/dbraw/zinc/62/97/78/560629778.db2.gz YTORIIFTWUFXFH-BKUYFWCQSA-N 0 0 402.475 4.525 40 10 HJCBRN Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408781247 560640909 /nfs/dbraw/zinc/64/09/09/560640909.db2.gz AZBBPMRWGHVRGX-MDZDMXLPSA-N 0 0 424.369 4.950 40 10 HJCBRN CCOc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)C(C(=O)OC)=C2C)cc1 ZINC000408796434 560641915 /nfs/dbraw/zinc/64/19/15/560641915.db2.gz OEMXOMOVGNWBDM-SFQUDFHCSA-N 0 0 415.848 4.755 40 10 HJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000408905319 560651802 /nfs/dbraw/zinc/65/18/02/560651802.db2.gz XDOGPBFGMYBZCE-KGENOOAVSA-N 0 0 413.433 4.980 40 10 HJCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1Cl ZINC000408903669 560652394 /nfs/dbraw/zinc/65/23/94/560652394.db2.gz VXGOVNPFWQSSND-NDENLUEZSA-N 0 0 405.910 4.518 40 10 HJCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000408943981 560656464 /nfs/dbraw/zinc/65/64/64/560656464.db2.gz SYJGQXJEFRRGRR-RCCKNPSSSA-N 0 0 414.436 4.847 40 10 HJCBRN CCCSC1=N[C@@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408989449 560662106 /nfs/dbraw/zinc/66/21/06/560662106.db2.gz KTLMNWDNXWWSAX-NRFANRHFSA-N 0 0 408.571 4.809 40 10 HJCBRN CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccccc3F)ccc3ccccc32)S1 ZINC000409026873 560668085 /nfs/dbraw/zinc/66/80/85/560668085.db2.gz CJGJGQUGYQOGGR-MTJSOVHGSA-N 0 0 420.465 4.664 40 10 HJCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1Cc1ccccc1 ZINC000409064332 560672121 /nfs/dbraw/zinc/67/21/21/560672121.db2.gz GQFAJLXZTZUUDC-CIAFOILYSA-N 0 0 405.885 4.904 40 10 HJCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000409174108 560686882 /nfs/dbraw/zinc/68/68/82/560686882.db2.gz LHVRJYRWVMSTPF-FHSNZYRGSA-N 0 0 401.806 4.992 40 10 HJCBRN COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O ZINC000409229500 560698485 /nfs/dbraw/zinc/69/84/85/560698485.db2.gz PZDISYIOEINMSG-STZFKDTASA-N 0 0 408.523 4.922 40 10 HJCBRN O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409327993 560709719 /nfs/dbraw/zinc/70/97/19/560709719.db2.gz OXOKZAZDOYWGKO-AWNIVKPZSA-N 0 0 411.733 4.903 40 10 HJCBRN O=C1/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1 ZINC000409333432 560710654 /nfs/dbraw/zinc/71/06/54/560710654.db2.gz SJXXLZMGQZXLIN-CPNJWEJPSA-N 0 0 421.503 4.850 40 10 HJCBRN O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000409340244 560711095 /nfs/dbraw/zinc/71/10/95/560711095.db2.gz STYXLEPAQGVGIL-AUWJEWJLSA-N 0 0 410.289 4.700 40 10 HJCBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409349462 560713433 /nfs/dbraw/zinc/71/34/33/560713433.db2.gz QGRFGCCNMLXNAD-GJUHEBOISA-N 0 0 413.520 4.998 40 10 HJCBRN CCn1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 ZINC000409345363 560714621 /nfs/dbraw/zinc/71/46/21/560714621.db2.gz LIUYVQDUQQPOAT-OCKHKDLRSA-N 0 0 408.504 4.796 40 10 HJCBRN O=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106739436 560745867 /nfs/dbraw/zinc/74/58/67/560745867.db2.gz IERXFWCBFUGGRN-ZHZULCJRSA-N 0 0 423.494 4.822 40 10 HJCBRN COc1cccc(CNC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1 ZINC000112286890 560777847 /nfs/dbraw/zinc/77/78/47/560777847.db2.gz SQBFIWCZXLKXIS-QJOMJCCJSA-N 0 0 415.468 4.649 40 10 HJCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccccc1OC ZINC000112290658 560778126 /nfs/dbraw/zinc/77/81/26/560778126.db2.gz ATCBLZNGLWTAPA-QNGOZBTKSA-N 0 0 420.538 4.871 40 10 HJCBRN Cc1ccc(CN2C(=O)N/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1 ZINC000208221991 568443708 /nfs/dbraw/zinc/44/37/08/568443708.db2.gz DQFSJDBKDDPOCP-WBRURWICSA-N 0 0 403.526 4.810 40 10 HJCBRN C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219203981 568487912 /nfs/dbraw/zinc/48/79/12/568487912.db2.gz GWNKDJOGTOUAIJ-LJQANCHMSA-N 0 0 405.542 4.541 40 10 HJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ncccc1C ZINC000222621188 568521041 /nfs/dbraw/zinc/52/10/41/568521041.db2.gz RLBWTCVAASVFEX-NDXORKPFSA-N 0 0 403.555 4.782 40 10 HJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(C)ccn1 ZINC000222837676 568527874 /nfs/dbraw/zinc/52/78/74/568527874.db2.gz UYXIRQGGTQRJOQ-VXKWHMMOSA-N 0 0 405.571 4.573 40 10 HJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(C)cn1 ZINC000222838247 568527978 /nfs/dbraw/zinc/52/79/78/568527978.db2.gz UZSTYKZLXNPFRB-VXKWHMMOSA-N 0 0 405.571 4.573 40 10 HJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1O ZINC000222921408 568530885 /nfs/dbraw/zinc/53/08/85/568530885.db2.gz MZCGQNNEJPVSIJ-XZOQPEGZSA-N 0 0 420.582 4.823 40 10 HJCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 ZINC000222943682 568531903 /nfs/dbraw/zinc/53/19/03/568531903.db2.gz KXAOTCUFWJOKLL-PKTZIBPZSA-N 0 0 420.582 4.818 40 10 HJCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000222954295 568532177 /nfs/dbraw/zinc/53/21/77/568532177.db2.gz RNACXGDXKSUPEG-YADHBBJMSA-N 0 0 405.571 4.657 40 10 HJCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000222972544 568532747 /nfs/dbraw/zinc/53/27/47/568532747.db2.gz AKHJSNJPDWGMRS-GOTSBHOMSA-N 0 0 419.598 4.965 40 10 HJCBRN CCc1ccc(OCC(=O)NCc2ccc(N(CC)CC)cc2)c(Br)c1 ZINC000224936158 568604807 /nfs/dbraw/zinc/60/48/07/568604807.db2.gz IOGLRGLORWZSBI-UHFFFAOYSA-N 0 0 419.363 4.553 40 10 HJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccn1 ZINC000225008833 568608751 /nfs/dbraw/zinc/60/87/51/568608751.db2.gz GHEHWXTYSPIHOP-XZOQPEGZSA-N 0 0 417.582 4.799 40 10 HJCBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC ZINC000225654517 568660596 /nfs/dbraw/zinc/66/05/96/568660596.db2.gz KAEGAWMDPXMFHX-KRWDZBQOSA-N 0 0 413.587 4.988 40 10 HJCBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(OC)c1 ZINC000225654411 568660599 /nfs/dbraw/zinc/66/05/99/568660599.db2.gz NJLCLCNLZXSMQC-KRWDZBQOSA-N 0 0 413.587 4.988 40 10 HJCBRN C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(N4CCCC4=O)cc3)cc2)C1 ZINC000225691695 568664900 /nfs/dbraw/zinc/66/49/00/568664900.db2.gz SOAFSGVCJJYQSP-SFHVURJKSA-N 0 0 422.598 4.536 40 10 HJCBRN CCOC(=O)c1ccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)c(C)c1 ZINC000225734460 568669172 /nfs/dbraw/zinc/66/91/72/568669172.db2.gz BGNJUKTZDMQMKM-UHFFFAOYSA-N 0 0 413.587 4.683 40 10 HJCBRN CCOC(=O)c1ccc(NC(=S)NCCN(CC)c2ccc(C)cc2)cc1Cl ZINC000225794053 568675132 /nfs/dbraw/zinc/67/51/32/568675132.db2.gz HCTVLZRBKFPCSA-UHFFFAOYSA-N 0 0 419.978 4.638 40 10 HJCBRN COc1ccc(OCCn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)cc1 ZINC000033651521 568697991 /nfs/dbraw/zinc/69/79/91/568697991.db2.gz KUUVXXNRZWEUPX-MOSHPQCFSA-N 0 0 424.547 4.560 40 10 HJCBRN COc1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c2cccnc12 ZINC000260743137 568737412 /nfs/dbraw/zinc/73/74/12/568737412.db2.gz ZBBXUCPDDDTDSK-KRWDZBQOSA-N 0 0 420.582 4.966 40 10 HJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(OC)c3)N21 ZINC000260759312 568737722 /nfs/dbraw/zinc/73/77/22/568737722.db2.gz GAFCFUAEPZYHAF-WTNAPCKOSA-N 0 0 408.571 4.670 40 10 HJCBRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260800696 568740187 /nfs/dbraw/zinc/74/01/87/568740187.db2.gz VBAMVBHJHFYKHS-VQTJNVASSA-N 0 0 406.570 4.885 40 10 HJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4OC)c3C)C2=N)S1 ZINC000006417545 569047000 /nfs/dbraw/zinc/04/70/00/569047000.db2.gz PMDVQFUFCDGRGM-NTCRLEKGSA-N 0 0 421.526 4.522 40 10 HJCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3C)C2=N)S1 ZINC000013280950 569254689 /nfs/dbraw/zinc/25/46/89/569254689.db2.gz MNHZTLFHXHRFLT-HVZAKDRGSA-N 0 0 405.527 4.904 40 10 HJCBRN O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1ccc(Br)cc1 ZINC000003020419 569359756 /nfs/dbraw/zinc/35/97/56/569359756.db2.gz IMCAQVCRVJHJOS-XNTDXEJSSA-N 0 0 405.342 4.720 40 10 HJCBRN COc1cc(C=C2SC(Nc3cccc(Cl)c3C)=NC2=O)ccc1OCC#N ZINC000006200632 569359872 /nfs/dbraw/zinc/35/98/72/569359872.db2.gz UUGJDUGEXHFRJB-WQRHYEAKSA-N 0 0 413.886 4.642 40 10 HJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3c(C)cccc3CC)C2=N)S1 ZINC000041083355 519894921 /nfs/dbraw/zinc/89/49/21/519894921.db2.gz SUAWDORMWGWCLD-HVZAKDRGSA-N 0 0 405.527 4.767 40 10 HJCBRN CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc1 ZINC000041076693 520880119 /nfs/dbraw/zinc/88/01/19/520880119.db2.gz PHOPABFSULNWJX-FBIWUZAXSA-N 0 0 417.538 4.509 40 10 HJCBRN Cc1ccc(SCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000032109503 525659840 /nfs/dbraw/zinc/65/98/40/525659840.db2.gz LIQYQSIGDYZXFZ-AQTBWJFISA-N 0 0 401.578 4.997 40 10 HJCBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Br ZINC000034897921 557084258 /nfs/dbraw/zinc/08/42/58/557084258.db2.gz UMQUKJDDJCZLFK-ADVUTCEVSA-N 0 0 400.363 4.848 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3OC)C2=O)c(OC)c1 ZINC000005513225 557659019 /nfs/dbraw/zinc/65/90/19/557659019.db2.gz QTBKBSYYOZXCLM-HMMYKYKNSA-N 0 0 414.461 4.547 40 10 HJCBRN Cc1cc(C)cc(C2(C(=O)NCc3ccc(N4CCCCC4)cc3)CCOCC2)c1 ZINC000035317042 557691811 /nfs/dbraw/zinc/69/18/11/557691811.db2.gz XAAFLSVTNSUTFH-UHFFFAOYSA-N 0 0 406.570 4.658 40 10 HJCBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 ZINC000408708634 557735049 /nfs/dbraw/zinc/73/50/49/557735049.db2.gz RTYNAORMRXHUAF-KRWDZBQOSA-N 0 0 407.901 4.739 40 10 HJCBRN COc1ccccc1NC1=NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000035646767 557802732 /nfs/dbraw/zinc/80/27/32/557802732.db2.gz IYCJJCRPMHRUBJ-UNOMPAQXSA-N 0 0 421.434 4.946 40 10 HJCBRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C ZINC000408757449 558352476 /nfs/dbraw/zinc/35/24/76/558352476.db2.gz NLPJOCLAIDYMQW-XKZIYDEJSA-N 0 0 415.453 4.512 40 10 HJCBRN CSc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000013547641 558538303 /nfs/dbraw/zinc/53/83/03/558538303.db2.gz PIYGJOWXDIZVLT-MFOYZWKCSA-N 0 0 401.534 4.539 40 10 HJCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1O ZINC000015008587 558699509 /nfs/dbraw/zinc/69/95/09/558699509.db2.gz XHWZKQIMHYGMFE-OVCLIPMQSA-N 0 0 422.325 4.569 40 10 HJCBRN Cc1ccc(Oc2ccc(N=S(C)(C)=O)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000036559044 558799956 /nfs/dbraw/zinc/79/99/56/558799956.db2.gz PTQREFVZINFSJJ-UHFFFAOYSA-N 0 0 405.475 4.922 40 10 HJCBRN C[C@H](NC(=O)c1ccc(-n2cnnc2)cc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000036752723 558803049 /nfs/dbraw/zinc/80/30/49/558803049.db2.gz BGEDFIAUXBPPCR-KRWDZBQOSA-N 0 0 423.948 4.648 40 10 HJCBRN Cc1cc(C)cc(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000033391852 559157524 /nfs/dbraw/zinc/15/75/24/559157524.db2.gz JOIPTZRSJGWRLB-ZHZULCJRSA-N 0 0 413.564 4.982 40 10 HJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2)cc1 ZINC000408759548 559275563 /nfs/dbraw/zinc/27/55/63/559275563.db2.gz GVCOCJQJUFQTOK-KGENOOAVSA-N 0 0 412.445 4.649 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccccc3)C2=O)c(OC)c1 ZINC000408760522 559275979 /nfs/dbraw/zinc/27/59/79/559275979.db2.gz ADHJTXXLLNBRAP-KGENOOAVSA-N 0 0 402.425 4.677 40 10 HJCBRN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000000924729 560556642 /nfs/dbraw/zinc/55/66/42/560556642.db2.gz AVQVKSVOMNFQPT-UHFFFAOYSA-N 0 0 402.317 4.580 40 10 HJCBRN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NCc1ccccc1 ZINC000000924749 560556654 /nfs/dbraw/zinc/55/66/54/560556654.db2.gz KCYASDRKPMUKGY-UHFFFAOYSA-N 0 0 403.507 4.600 40 10 HJCBRN CCCCN1C(=O)/C(=C\C=C2/Sc3cc(C)c(C)cc3N2CCO)SC1=S ZINC000004797760 560608847 /nfs/dbraw/zinc/60/88/47/560608847.db2.gz GKKDJNPMYGLKSB-ROFDZPKHSA-N 0 0 420.625 4.594 40 10 HJCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000408766079 560629963 /nfs/dbraw/zinc/62/99/63/560629963.db2.gz OMAMMPCDQUSVFI-YBFXNURJSA-N 0 0 404.372 4.528 40 10 HJCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000408798540 560642070 /nfs/dbraw/zinc/64/20/70/560642070.db2.gz VSNDHJSUIJZFLM-ATVHPVEESA-N 0 0 401.384 4.891 40 10 HJCBRN COc1ccccc1C1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(C)c1 ZINC000408840452 560645899 /nfs/dbraw/zinc/64/58/99/560645899.db2.gz BXIXZZUNKGOBEO-HMMYKYKNSA-N 0 0 413.433 4.746 40 10 HJCBRN COc1ccccc1/C=C1/N=C(c2ccccc2OC)N(c2ccc(F)cc2)C1=O ZINC000408845327 560646476 /nfs/dbraw/zinc/64/64/76/560646476.db2.gz VZRMFNUFACINSI-HMMYKYKNSA-N 0 0 402.425 4.677 40 10 HJCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O ZINC000409071993 560673385 /nfs/dbraw/zinc/67/33/85/560673385.db2.gz RELDWUIKNLRXCH-MHWRWJLKSA-N 0 0 405.317 4.913 40 10 HJCBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(C)C ZINC000409206601 560691163 /nfs/dbraw/zinc/69/11/63/560691163.db2.gz XYEOASIXAMYZOA-ODLFYWEKSA-N 0 0 416.568 4.686 40 10 HJCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OCC)SC2=S)cc1 ZINC000409329384 560710020 /nfs/dbraw/zinc/71/00/20/560710020.db2.gz FNCRRSZMKSMLMV-QGOAFFKASA-N 0 0 415.536 4.898 40 10 HJCBRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000007080159 560749750 /nfs/dbraw/zinc/74/97/50/560749750.db2.gz YFFZQGDHUTVSDS-INIZCTEOSA-N 0 0 413.473 4.993 40 10 HJCBRN CC(NC1CCCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000017082520 560862162 /nfs/dbraw/zinc/86/21/62/560862162.db2.gz VMNXWQLVGMPVMW-HKWRFOASSA-N 0 0 402.523 4.853 40 10 HJCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCCc2ccccc2)cc1 ZINC000017088919 560863800 /nfs/dbraw/zinc/86/38/00/560863800.db2.gz CDUJYMNSZVLDOE-CLCOLTQESA-N 0 0 411.505 4.552 40 10 HJCBRN CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2C(C)=CC1(C)C ZINC000208509855 568446820 /nfs/dbraw/zinc/44/68/20/568446820.db2.gz HASIUCWHSYCKEI-BKUYFWCQSA-N 0 0 419.500 4.940 40 10 HJCBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000218757654 568483336 /nfs/dbraw/zinc/48/33/36/568483336.db2.gz GGZAJRXUMAKNNO-DVECYGJZSA-N 0 0 410.558 4.966 40 10 HJCBRN CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219565268 568495427 /nfs/dbraw/zinc/49/54/27/568495427.db2.gz ZDCPZWKXUVZTAL-KNKQGSTJSA-N 0 0 410.558 4.966 40 10 HJCBRN COc1cc(N2CCCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222595351 568519791 /nfs/dbraw/zinc/51/97/91/568519791.db2.gz AIKKHGIMPAMBMI-KNXBSLHKSA-N 0 0 408.571 4.670 40 10 HJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 ZINC000222831698 568527723 /nfs/dbraw/zinc/52/77/23/568527723.db2.gz OGXCCMJZNRNGEO-XZOQPEGZSA-N 0 0 420.582 4.879 40 10 HJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000222875777 568529331 /nfs/dbraw/zinc/52/93/31/568529331.db2.gz NOTFGAUTJZBZRG-FCHUYYIVSA-N 0 0 406.555 4.577 40 10 HJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000222882930 568529535 /nfs/dbraw/zinc/52/95/35/568529535.db2.gz GRGKACBDNWXZPM-FCHUYYIVSA-N 0 0 405.571 4.575 40 10 HJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(O)cc1 ZINC000222921749 568531038 /nfs/dbraw/zinc/53/10/38/568531038.db2.gz JTCJCOPHYOZPEO-GOTSBHOMSA-N 0 0 420.582 4.823 40 10 HJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(C)cn1 ZINC000222928450 568531312 /nfs/dbraw/zinc/53/13/12/568531312.db2.gz KJXPEPVOKAHCTD-XZOQPEGZSA-N 0 0 419.598 4.821 40 10 HJCBRN COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)ccc2c1 ZINC000223216168 568541278 /nfs/dbraw/zinc/54/12/78/568541278.db2.gz HQMNFDOXSLFSKP-GOSISDBHSA-N 0 0 424.566 4.878 40 10 HJCBRN CC(C)N1c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2[C@@H](C)CC1(C)C ZINC000223555611 568551606 /nfs/dbraw/zinc/55/16/06/568551606.db2.gz UWERWTYVWOXPIS-GLFIFPSUSA-N 0 0 417.578 4.958 40 10 HJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccn1 ZINC000225008872 568608685 /nfs/dbraw/zinc/60/86/85/568608685.db2.gz GHEHWXTYSPIHOP-GOTSBHOMSA-N 0 0 417.582 4.799 40 10 HJCBRN COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225670149 568662476 /nfs/dbraw/zinc/66/24/76/568662476.db2.gz FTWQYVICJBICGY-IAGOWNOFSA-N 0 0 411.571 4.757 40 10 HJCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1N1CCCC1=O ZINC000225696655 568665340 /nfs/dbraw/zinc/66/53/40/568665340.db2.gz JUHJVQDEYIWXMX-GOSISDBHSA-N 0 0 422.598 4.770 40 10 HJCBRN COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C ZINC000033615277 568697397 /nfs/dbraw/zinc/69/73/97/568697397.db2.gz ZBMIOHAZFWKBFQ-MHWRWJLKSA-N 0 0 414.845 4.643 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000058884052 568700918 /nfs/dbraw/zinc/70/09/18/568700918.db2.gz HSCAMENQLJDSES-MOSHPQCFSA-N 0 0 421.493 4.704 40 10 HJCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000059417972 568706070 /nfs/dbraw/zinc/70/60/70/568706070.db2.gz FNKSZWYYDFVVFX-PDGQHHTCSA-N 0 0 413.524 4.847 40 10 HJCBRN COc1cc(N2CCCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260752901 568737543 /nfs/dbraw/zinc/73/75/43/568737543.db2.gz AIKKHGIMPAMBMI-NPFVIJTESA-N 0 0 408.571 4.670 40 10 HJCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 ZINC000033637267 569360152 /nfs/dbraw/zinc/36/01/52/569360152.db2.gz YJYDVQNQFAPHDV-ULJHMMPZSA-N 0 0 413.521 4.898 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1ccc(N(C)C)cc1 ZINC000033778005 569360450 /nfs/dbraw/zinc/36/04/50/569360450.db2.gz RZJKCKVNGHRLQR-OAQYLSRUSA-N 0 0 409.555 4.870 40 10 HJCBRN Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000044854999 569360907 /nfs/dbraw/zinc/36/09/07/569360907.db2.gz LHAXKPBVEKCKCT-VQTJNVASSA-N 0 0 416.569 4.967 40 10 HJCBRN COc1ccc(C2(C(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)CCOCC2)cc1 ZINC000019661479 132468596 /nfs/dbraw/zinc/46/85/96/132468596.db2.gz JHTMCDLIWRPUSL-HXUWFJFHSA-N 0 0 422.569 4.611 40 10 HJCBRN CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O ZINC000032701800 519348595 /nfs/dbraw/zinc/34/85/95/519348595.db2.gz TVRSHPBSCKLLQL-YAXRHUFXSA-N 0 0 414.939 4.833 40 10 HJCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000041078299 520629034 /nfs/dbraw/zinc/62/90/34/520629034.db2.gz NLFCTPGMQWXHGR-FSYPTUMHSA-N 0 0 417.465 4.676 40 10 HJCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc(C)c1C ZINC000032117126 526091509 /nfs/dbraw/zinc/09/15/09/526091509.db2.gz CUJBXVZNVDKEMH-XKZIYDEJSA-N 0 0 417.484 4.943 40 10 HJCBRN COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000001188283 557235002 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COc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 ZINC000035646648 557802749 /nfs/dbraw/zinc/80/27/49/557802749.db2.gz JAHRYUUYRSONKA-UNOMPAQXSA-N 0 0 421.434 4.946 40 10 HJCBRN Cc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(C)cc1 ZINC000408740414 557806332 /nfs/dbraw/zinc/80/63/32/557806332.db2.gz KEBMSCYGKVRNJZ-YDZHTSKRSA-N 0 0 413.546 4.790 40 10 HJCBRN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CCc1ccccc1 ZINC000009188664 557826254 /nfs/dbraw/zinc/82/62/54/557826254.db2.gz MZGUBBNDQBPZNY-VBKFSLOCSA-N 0 0 404.354 4.893 40 10 HJCBRN COc1ccc(C(=O)Oc2ccccc2/C=C2/C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000020191098 558344601 /nfs/dbraw/zinc/34/46/01/558344601.db2.gz YSNRFCCFAXHGBJ-JWGURIENSA-N 0 0 412.445 4.721 40 10 HJCBRN COc1ccc(CCN2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1OC ZINC000012273938 558363449 /nfs/dbraw/zinc/36/34/49/558363449.db2.gz WAIVFAHIXCCEOA-PDGQHHTCSA-N 0 0 419.955 4.801 40 10 HJCBRN Nc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(N)cc3)c(-c3ccccc3)c2)cc1 ZINC000020530318 558383943 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ZINC000060510624 569352460 /nfs/dbraw/zinc/35/24/60/569352460.db2.gz RZKPDCVSOYFDIQ-WOJGMQOQSA-N 0 0 401.509 4.508 40 10 HJCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(C)c1O ZINC000038206847 569360731 /nfs/dbraw/zinc/36/07/31/569360731.db2.gz HQXVIUGUCKTVNP-UHFFFAOYSA-N 0 0 412.445 4.592 40 10 HJCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OC ZINC000209721678 569361582 /nfs/dbraw/zinc/36/15/82/569361582.db2.gz VBNYMSQDESGXFY-LDADJPATSA-N 0 0 401.509 4.508 40 10 HJCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)c1 ZINC000208519869 569361631 /nfs/dbraw/zinc/36/16/31/569361631.db2.gz RBEYTAFFRFWFKY-YBFXNURJSA-N 0 0 412.511 4.634 40 10 HJCBRN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000214983800 569361701 /nfs/dbraw/zinc/36/17/01/569361701.db2.gz XZTTZFFXSHJPPF-DEDYPNTBSA-N 0 0 423.494 4.740 40 10 HJCBRN CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S1 ZINC000032110008 519642970 /nfs/dbraw/zinc/64/29/70/519642970.db2.gz 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4.677 40 10 HJCBRN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1 ZINC000006274842 560630392 /nfs/dbraw/zinc/63/03/92/560630392.db2.gz OCPICNNLBLAHSH-WCWDXBQESA-N 0 0 408.483 4.605 40 10 HJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000408769855 560639055 /nfs/dbraw/zinc/63/90/55/560639055.db2.gz PVLLLVKUARDHSK-KQWNVCNZSA-N 0 0 419.521 4.734 40 10 HJCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(N(CC)CC)cc3OC)S2)cc1 ZINC000408780822 560641030 /nfs/dbraw/zinc/64/10/30/560641030.db2.gz LMYMXPHNOKVWCY-CVGPFBNFSA-N 0 0 411.571 4.703 40 10 HJCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2F)c1 ZINC000408846658 560646555 /nfs/dbraw/zinc/64/65/55/560646555.db2.gz YBPSGBKXCPYGQI-XSFVSMFZSA-N 0 0 401.397 4.877 40 10 HJCBRN CCOc1ccc(NCc2cc(Br)cc(Br)c2O)cc1 ZINC000409114818 560680130 /nfs/dbraw/zinc/68/01/30/560680130.db2.gz QKGHPXWHLUUSEZ-UHFFFAOYSA-N 0 0 401.098 4.928 40 10 HJCBRN O=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408960502 560657914 /nfs/dbraw/zinc/65/79/14/560657914.db2.gz MMKWSSFHVXDCIU-ZHZULCJRSA-N 0 0 423.494 4.822 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000408974654 560659990 /nfs/dbraw/zinc/65/99/90/560659990.db2.gz GDFRIYBBPXUWKG-ZHZULCJRSA-N 0 0 421.493 4.588 40 10 HJCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000408974600 560660020 /nfs/dbraw/zinc/66/00/20/560660020.db2.gz FIMCPAWQSOUFLK-PDGQHHTCSA-N 0 0 416.304 4.909 40 10 HJCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O ZINC000409010884 560665431 /nfs/dbraw/zinc/66/54/31/560665431.db2.gz GBPWXVHPPCBIJI-HCZVKUGISA-N 0 0 412.511 4.716 40 10 HJCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000409018479 560666062 /nfs/dbraw/zinc/66/60/62/560666062.db2.gz WZMABKUXHBAFPS-LPYMAVHISA-N 0 0 417.484 4.943 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000409023524 560667274 /nfs/dbraw/zinc/66/72/74/560667274.db2.gz 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HJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OCC)c1O ZINC000014406614 560845609 /nfs/dbraw/zinc/84/56/09/560845609.db2.gz SOKIXVNRHPXHKT-ZHZULCJRSA-N 0 0 421.493 4.675 40 10 HJCBRN COc1ccc(CCNC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000017088915 560863805 /nfs/dbraw/zinc/86/38/05/560863805.db2.gz QPIBDQNVGYHGQS-CLCOLTQESA-N 0 0 411.505 4.552 40 10 HJCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCCc2cccs2)cc1 ZINC000017091159 560865890 /nfs/dbraw/zinc/86/58/90/560865890.db2.gz GTBQPJOPGDLZAT-XLNRJJMWSA-N 0 0 417.534 4.614 40 10 HJCBRN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21 ZINC000208221609 568443639 /nfs/dbraw/zinc/44/36/39/568443639.db2.gz SDUXGKGQOMJPCW-GEYIUBJWSA-N 0 0 407.489 4.641 40 10 HJCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208223931 568443688 /nfs/dbraw/zinc/44/36/88/568443688.db2.gz LLINNOFWCBDJSK-YQODDJSKSA-N 0 0 421.516 4.949 40 10 HJCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=c3\sc4nc5ccccc5n4c3=O)cc21 ZINC000208241656 568443736 /nfs/dbraw/zinc/44/37/36/568443736.db2.gz GLVBTDGQYREFMS-NLLJVSSUSA-N 0 0 423.969 4.832 40 10 HJCBRN C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219214702 568488039 /nfs/dbraw/zinc/48/80/39/568488039.db2.gz MKUZKCDLPZANBH-IBGZPJMESA-N 0 0 405.542 4.541 40 10 HJCBRN CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 ZINC000222595824 568519785 /nfs/dbraw/zinc/51/97/85/568519785.db2.gz ULLNUJHLWSUSCZ-SSKFGXFMSA-N 0 0 408.571 4.670 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(O)cc1 ZINC000222831047 568527747 /nfs/dbraw/zinc/52/77/47/568527747.db2.gz XQZIWRIDWXGGAV-FGZHOGPDSA-N 0 0 406.555 4.576 40 10 HJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(C)ccn1 ZINC000222837555 568527879 /nfs/dbraw/zinc/52/78/79/568527879.db2.gz UYXIRQGGTQRJOQ-YADHBBJMSA-N 0 0 405.571 4.573 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(C)cn1 ZINC000222838048 568527991 /nfs/dbraw/zinc/52/79/91/568527991.db2.gz UZSTYKZLXNPFRB-FGZHOGPDSA-N 0 0 405.571 4.573 40 10 HJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000222876304 568529360 /nfs/dbraw/zinc/52/93/60/568529360.db2.gz CAYLWLCRNAUSKY-XZOQPEGZSA-N 0 0 420.582 4.880 40 10 HJCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000222966160 568532524 /nfs/dbraw/zinc/53/25/24/568532524.db2.gz XLAXQUHDFJLMBR-XZOQPEGZSA-N 0 0 420.582 4.967 40 10 HJCBRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000223138707 568539119 /nfs/dbraw/zinc/53/91/19/568539119.db2.gz HSZQPIIBJOJZIJ-MRXNPFEDSA-N 0 0 422.978 4.624 40 10 HJCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)n1-c1ccccc1 ZINC000223366397 568546694 /nfs/dbraw/zinc/54/66/94/568546694.db2.gz CYMUSDHMIHWTPU-PKTZIBPZSA-N 0 0 414.534 4.946 40 10 HJCBRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000224784881 568596869 /nfs/dbraw/zinc/59/68/69/568596869.db2.gz GHUQLRHDYDABNL-LJQANCHMSA-N 0 0 416.587 4.588 40 10 HJCBRN S=C(NCc1ccc(N2CCCCC2)cc1)Nc1ccc(Br)cc1 ZINC000225415644 568635659 /nfs/dbraw/zinc/63/56/59/568635659.db2.gz YHPJORCYGGPQMO-UHFFFAOYSA-N 0 0 404.377 4.926 40 10 HJCBRN C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCC(C)CC2)cc1 ZINC000225655505 568660584 /nfs/dbraw/zinc/66/05/84/568660584.db2.gz GJVZXRHSJPUQHL-QGZVFWFLSA-N 0 0 411.571 4.742 40 10 HJCBRN CCOC(=O)c1ccc(C)c(NC(=S)NCCCN(CC)c2ccc(C)cc2)c1 ZINC000225734423 568668977 /nfs/dbraw/zinc/66/89/77/568668977.db2.gz BOSMNLVVIUZKHV-UHFFFAOYSA-N 0 0 413.587 4.683 40 10 HJCBRN Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000058850454 568699164 /nfs/dbraw/zinc/69/91/64/568699164.db2.gz VORFWPIPKGNBFF-UHFFFAOYSA-N 0 0 405.317 4.657 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000058883580 568700875 /nfs/dbraw/zinc/70/08/75/568700875.db2.gz VOXORQDPAXIVQR-QNGOZBTKSA-N 0 0 405.494 4.870 40 10 HJCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000059435659 568703742 /nfs/dbraw/zinc/70/37/42/568703742.db2.gz NKNYPYNWCFQGLQ-YBEGLDIGSA-N 0 0 402.277 4.866 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000059435730 568704113 /nfs/dbraw/zinc/70/41/13/568704113.db2.gz JBBXTUVBLZXCOA-YBEGLDIGSA-N 0 0 418.276 4.879 40 10 HJCBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)SC1=S ZINC000059418108 568705919 /nfs/dbraw/zinc/70/59/19/568705919.db2.gz YHYAORPQRNWIJA-WOJGMQOQSA-N 0 0 403.500 4.634 40 10 HJCBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(OC)c1 ZINC000260737492 568736733 /nfs/dbraw/zinc/73/67/33/568736733.db2.gz KVDHBTAFDZSPHK-DLBZAZTESA-N 0 0 413.587 4.988 40 10 HJCBRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCCC1 ZINC000260783901 568738755 /nfs/dbraw/zinc/73/87/55/568738755.db2.gz ULLNUJHLWSUSCZ-URZJWIJPSA-N 0 0 408.571 4.670 40 10 HJCBRN Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000026675935 569052391 /nfs/dbraw/zinc/05/23/91/569052391.db2.gz PHBGXPXXEUEUBW-PDGQHHTCSA-N 0 0 419.955 4.937 40 10 HJCBRN COc1cccc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)nc21 ZINC000054360842 569072252 /nfs/dbraw/zinc/07/22/52/569072252.db2.gz HZUPSGHVGQQUJP-RGEXLXHISA-N 0 0 406.532 4.687 40 10 HJCBRN CC(C)C1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc4ccccc4c3)C2=N)S1 ZINC000013281064 569254791 /nfs/dbraw/zinc/25/47/91/569254791.db2.gz KTPWUBIWBCYZFP-RYEIUNSYSA-N 0 0 413.506 4.906 40 10 HJCBRN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000006865658 569334896 /nfs/dbraw/zinc/33/48/96/569334896.db2.gz WBQUEWFXRNLPPC-UHFFFAOYSA-N 0 0 412.873 4.552 40 10 HJCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1O ZINC000058607918 569352384 /nfs/dbraw/zinc/35/23/84/569352384.db2.gz CNNIKMLMMDHGAY-YBEGLDIGSA-N 0 0 420.943 4.526 40 10 HJCBRN COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000033732890 569360327 /nfs/dbraw/zinc/36/03/27/569360327.db2.gz VHLYSJUHQOGNIU-JWGURIENSA-N 0 0 417.505 4.881 40 10 HJCBRN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000038737235 569360816 /nfs/dbraw/zinc/36/08/16/569360816.db2.gz WWJMTRCSKAHYCQ-UHFFFAOYSA-N 0 0 415.898 4.771 40 10 HJCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cc(C)ccc3C)C2=N)S1 ZINC000041082816 519917287 /nfs/dbraw/zinc/91/72/87/519917287.db2.gz NFDATXFOEIONNA-HVZAKDRGSA-N 0 0 405.527 4.904 40 10 HJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Cl)c3)C(=N)N2O1 ZINC000041078325 520853996 /nfs/dbraw/zinc/85/39/96/520853996.db2.gz FTXGHHNRSBQKFA-FWDDTQSRSA-N 0 0 411.820 4.508 40 10 HJCBRN COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)ccc1Cl ZINC000225695586 521892027 /nfs/dbraw/zinc/89/20/27/521892027.db2.gz GFUGJJZTUWESMB-AWEZNQCLSA-N 0 0 417.962 4.774 40 10 HJCBRN Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032125042 525669701 /nfs/dbraw/zinc/66/97/01/525669701.db2.gz KBIANTHQANSOIL-MHWRWJLKSA-N 0 0 402.522 4.885 40 10 HJCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(C(C)C)cc4)S3)CC2)cc1 ZINC000009188208 536692449 /nfs/dbraw/zinc/69/24/49/536692449.db2.gz MGAHKLMQBKUZSG-JWGURIENSA-N 0 0 421.566 4.611 40 10 HJCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000001180547 557230479 /nfs/dbraw/zinc/23/04/79/557230479.db2.gz AUGWQCYUDABISV-XMHGGMMESA-N 0 0 410.564 4.924 40 10 HJCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000001182621 557231787 /nfs/dbraw/zinc/23/17/87/557231787.db2.gz WCMUHDLXSOOAJS-CPNJWEJPSA-N 0 0 410.564 4.842 40 10 HJCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)N2CCCCC2)C1=O ZINC000005370955 557647612 /nfs/dbraw/zinc/64/76/12/557647612.db2.gz SXIXUEDKKJFUTG-SRKLUXGOSA-N 0 0 414.596 4.627 40 10 HJCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3F)C2=O)cc1 ZINC000408719058 557762120 /nfs/dbraw/zinc/76/21/20/557762120.db2.gz IDDVSBUGUBGKRB-QGOAFFKASA-N 0 0 414.527 4.714 40 10 HJCBRN Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 ZINC000408736621 557802546 /nfs/dbraw/zinc/80/25/46/557802546.db2.gz XTNMPEGEWBUZGW-TYILLQQXSA-N 0 0 417.246 4.846 40 10 HJCBRN COc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 ZINC000035646772 557802790 /nfs/dbraw/zinc/80/27/90/557802790.db2.gz WBCZLWZHTNOUPW-UNOMPAQXSA-N 0 0 421.434 4.946 40 10 HJCBRN COc1ccc(NC2=NC(=O)C(=Cc3cccc(Br)c3)S2)c(OC)c1 ZINC000008964451 557816552 /nfs/dbraw/zinc/81/65/52/557816552.db2.gz YDOGSFXAHBKDRF-SXGWCWSVSA-N 0 0 419.300 4.549 40 10 HJCBRN COc1ccc(OC)c(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)c1 ZINC000009188917 557826453 /nfs/dbraw/zinc/82/64/53/557826453.db2.gz PPOCBFSMJXPAEB-JWGURIENSA-N 0 0 422.550 4.629 40 10 HJCBRN O=C(CSCc1ccccc1Br)NCc1ccc(N2CCCC2)cc1 ZINC000013649273 558557924 /nfs/dbraw/zinc/55/79/24/558557924.db2.gz ZPDXKHUDNOATMS-UHFFFAOYSA-N 0 0 419.388 4.599 40 10 HJCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(c2ccccc2)C1=O ZINC000015013410 558701247 /nfs/dbraw/zinc/70/12/47/558701247.db2.gz MWMUUVZGNLCRIP-DEDYPNTBSA-N 0 0 410.495 4.545 40 10 HJCBRN C[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000036752720 558802978 /nfs/dbraw/zinc/80/29/78/558802978.db2.gz BGEDFIAUXBPPCR-QGZVFWFLSA-N 0 0 423.948 4.648 40 10 HJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000408761406 559276087 /nfs/dbraw/zinc/27/60/87/559276087.db2.gz DZGQUDPUYQAPKG-CJLVFECKSA-N 0 0 413.433 4.828 40 10 HJCBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453317 559288083 /nfs/dbraw/zinc/28/80/83/559288083.db2.gz IWHPEOXPRQJAPT-JXQFQVJHSA-N 0 0 410.558 4.966 40 10 HJCBRN CC(=O)N(C)c1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2)cc1 ZINC000001088786 560555977 /nfs/dbraw/zinc/55/59/77/560555977.db2.gz MMKJJWPIZXLEKX-JJIBRWJFSA-N 0 0 409.489 4.812 40 10 HJCBRN Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 ZINC000001217264 560571637 /nfs/dbraw/zinc/57/16/37/560571637.db2.gz FWTVEMKFYRYQHG-ATVHPVEESA-N 0 0 416.593 4.985 40 10 HJCBRN CCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1nc(C)c(C)s1 ZINC000001355656 560577505 /nfs/dbraw/zinc/57/75/05/560577505.db2.gz HORQLVWMLCUHGK-UHFFFAOYSA-N 0 0 416.572 4.773 40 10 HJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408762843 560629026 /nfs/dbraw/zinc/62/90/26/560629026.db2.gz GOFTVHATROOKPR-PXLXIMEGSA-N 0 0 414.436 4.755 40 10 HJCBRN COc1cccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)c1 ZINC000408765601 560629868 /nfs/dbraw/zinc/62/98/68/560629868.db2.gz WNPLQFDPUXFHPM-KGENOOAVSA-N 0 0 404.853 4.889 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000408789312 560641588 /nfs/dbraw/zinc/64/15/88/560641588.db2.gz IWKYPEAREGUNNK-ZHZULCJRSA-N 0 0 409.507 4.684 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2OC)cc1 ZINC000408839843 560645888 /nfs/dbraw/zinc/64/58/88/560645888.db2.gz AVDLNUYRDJWVBG-RCCKNPSSSA-N 0 0 402.425 4.677 40 10 HJCBRN COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1cccc(C)c1 ZINC000408839952 560645915 /nfs/dbraw/zinc/64/59/15/560645915.db2.gz BQECVGYJWZVPNU-HAVVHWLPSA-N 0 0 411.505 4.904 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2OC)cc1 ZINC000408841299 560646023 /nfs/dbraw/zinc/64/60/23/560646023.db2.gz GBGMSPHZHJVNFQ-RCCKNPSSSA-N 0 0 402.425 4.677 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560712687 /nfs/dbraw/zinc/71/26/87/560712687.db2.gz DFUNOIPSMLZIIY-QPEQYQDCSA-N 0 0 411.733 4.903 40 10 HJCBRN O=C1Nc2ccccc2/C1=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409349762 560713427 /nfs/dbraw/zinc/71/34/27/560713427.db2.gz QUSGKLSPGMXJRK-BUHFOSPRSA-N 0 0 407.303 4.722 40 10 HJCBRN O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409350726 560713680 /nfs/dbraw/zinc/71/36/80/560713680.db2.gz YUAWCZIUPQLSRG-VIZOYTHASA-N 0 0 420.309 4.584 40 10 HJCBRN CCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)SC1=S ZINC000409351534 560713897 /nfs/dbraw/zinc/71/38/97/560713897.db2.gz UUYUBONHUMPDPX-AQTBWJFISA-N 0 0 413.520 4.526 40 10 HJCBRN O=C1NC(=S)S/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000103420944 560733904 /nfs/dbraw/zinc/73/39/04/560733904.db2.gz CIWPODLRIKWXCY-OQLLNIDSSA-N 0 0 406.326 4.517 40 10 HJCBRN CCOc1ccccc1/C=C1\C(=O)N(c2ccc(F)c(Cl)c2)C(C)=C1C(=O)OC ZINC000006965154 560748902 /nfs/dbraw/zinc/74/89/02/560748902.db2.gz QVZDJRWRLSWJCP-WJDWOHSUSA-N 0 0 415.848 4.755 40 10 HJCBRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000007080091 560749632 /nfs/dbraw/zinc/74/96/32/560749632.db2.gz ZPKSKKUXDGJEGH-INIZCTEOSA-N 0 0 413.473 4.993 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC)c(OC)c1 ZINC000014406585 560845597 /nfs/dbraw/zinc/84/55/97/560845597.db2.gz DJTFMXWXTGHHBN-ZHZULCJRSA-N 0 0 421.493 4.670 40 10 HJCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NC2CCCCC2)cc1 ZINC000017087695 560862836 /nfs/dbraw/zinc/86/28/36/560862836.db2.gz SFLDJQGPWWBUMH-JWGURIENSA-N 0 0 407.489 4.782 40 10 HJCBRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1C(C)C ZINC000260572600 560869192 /nfs/dbraw/zinc/86/91/92/560869192.db2.gz HTKYUJCLBVAOMF-SFHVURJKSA-N 0 0 416.587 4.533 40 10 HJCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1O ZINC000209721258 568472776 /nfs/dbraw/zinc/47/27/76/568472776.db2.gz HGPGTEQZUSCTDM-NTEUORMPSA-N 0 0 422.325 4.569 40 10 HJCBRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219358893 568490582 /nfs/dbraw/zinc/49/05/82/568490582.db2.gz LNWQRIYADVYMFJ-KHCICDEESA-N 0 0 410.558 4.966 40 10 HJCBRN CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219565041 568495370 /nfs/dbraw/zinc/49/53/70/568495370.db2.gz ZDCPZWKXUVZTAL-XQBPLPMBSA-N 0 0 410.558 4.966 40 10 HJCBRN Cc1cc(CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C)c(C)n1-c1ccccc1 ZINC000222563379 568518484 /nfs/dbraw/zinc/51/84/84/568518484.db2.gz FTFGXVZAEGMCCH-UHFFFAOYSA-N 0 0 406.917 4.906 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(O)cc1 ZINC000222616065 568520837 /nfs/dbraw/zinc/52/08/37/568520837.db2.gz LWNHALJQTXGXPR-ITEAAPOESA-N 0 0 404.539 4.784 40 10 HJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3OC)N21 ZINC000222688075 568523702 /nfs/dbraw/zinc/52/37/02/568523702.db2.gz BOBGOBLAKBPYCO-URZJWIJPSA-N 0 0 410.587 4.916 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000222883134 568529496 /nfs/dbraw/zinc/52/94/96/568529496.db2.gz BKYNWIHJQYAPBJ-RTWAWAEBSA-N 0 0 405.571 4.575 40 10 HJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000222899550 568530085 /nfs/dbraw/zinc/53/00/85/568530085.db2.gz ZQGGSRYQCZATOW-FCHUYYIVSA-N 0 0 406.555 4.572 40 10 HJCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000222966056 568532523 /nfs/dbraw/zinc/53/25/23/568532523.db2.gz XLAXQUHDFJLMBR-GOTSBHOMSA-N 0 0 420.582 4.967 40 10 HJCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000222973197 568532755 /nfs/dbraw/zinc/53/27/55/568532755.db2.gz VOFXEWITYYVDCP-XZOQPEGZSA-N 0 0 419.598 4.965 40 10 HJCBRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000223395488 568547444 /nfs/dbraw/zinc/54/74/44/568547444.db2.gz FCPVSFBIUHHELK-CVEARBPZSA-N 0 0 422.978 4.624 40 10 HJCBRN C[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225671423 568662472 /nfs/dbraw/zinc/66/24/72/568662472.db2.gz YSYIKQPTUILWHK-MSOLQXFVSA-N 0 0 424.614 4.672 40 10 HJCBRN COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1C ZINC000225690996 568664614 /nfs/dbraw/zinc/66/46/14/568664614.db2.gz LFZOUJDNHSORRJ-MRXNPFEDSA-N 0 0 411.571 4.505 40 10 HJCBRN CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1C ZINC000225695895 568665258 /nfs/dbraw/zinc/66/52/58/568665258.db2.gz UEICZQMAXWUQLT-QGZVFWFLSA-N 0 0 411.571 4.820 40 10 HJCBRN CCN(CCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccc(C)cc1 ZINC000225734902 568669444 /nfs/dbraw/zinc/66/94/44/568669444.db2.gz JXDOJFTZXCRQEU-UHFFFAOYSA-N 0 0 424.614 4.633 40 10 HJCBRN COc1ccc(N(C)CCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225798076 568675530 /nfs/dbraw/zinc/67/55/30/568675530.db2.gz ARVGELMKVNMCRM-UHFFFAOYSA-N 0 0 417.884 4.790 40 10 HJCBRN CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N(c2ccccc2)C1=O ZINC000059138905 568701604 /nfs/dbraw/zinc/70/16/04/568701604.db2.gz PZPOAGJCGFANEV-QGOAFFKASA-N 0 0 406.825 4.609 40 10 HJCBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)NC1=S ZINC000059182269 568702215 /nfs/dbraw/zinc/70/22/15/568702215.db2.gz BKXQLJWYAYLYBR-RIYZIHGNSA-N 0 0 422.337 4.888 40 10 HJCBRN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260800695 568740218 /nfs/dbraw/zinc/74/02/18/568740218.db2.gz VBAMVBHJHFYKHS-PMACEKPBSA-N 0 0 406.570 4.885 40 10 HJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C2=N)S1 ZINC000006245885 569034572 /nfs/dbraw/zinc/03/45/72/569034572.db2.gz HMTDZYGTHYGXHJ-PBOWYIGHSA-N 0 0 405.527 4.822 40 10 HJCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000006951562 569335503 /nfs/dbraw/zinc/33/55/03/569335503.db2.gz LHVRJYRWVMSTPF-VEVIJQCQSA-N 0 0 401.806 4.992 40 10 HJCBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc(Cl)c1 ZINC000019720098 569360091 /nfs/dbraw/zinc/36/00/91/569360091.db2.gz NTXKPMGZICZZCX-YVLHZVERSA-N 0 0 405.928 4.807 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC)cc1 ZINC000033551913 569360204 /nfs/dbraw/zinc/36/02/04/569360204.db2.gz XROHRRXKEHCZSY-JWGURIENSA-N 0 0 421.493 4.751 40 10 HJCBRN CCSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C2=N)S1 ZINC000002452965 569405340 /nfs/dbraw/zinc/40/53/40/569405340.db2.gz LRMKWPNDPCZCCZ-JMCWYTMQSA-N 0 0 423.567 4.732 40 10 HJCBRN CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OCc2cccc3ccccc32)S1 ZINC000032110013 519642799 /nfs/dbraw/zinc/64/27/99/519642799.db2.gz WBIODUWVVYKGOE-FYJGNVAPSA-N 0 0 402.475 4.525 40 10 HJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=N)S1 ZINC000041083401 519894867 /nfs/dbraw/zinc/89/48/67/519894867.db2.gz ZZGRFXLDHBPZBU-STSBFZDFSA-N 0 0 409.490 4.653 40 10 HJCBRN Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225298003 527449746 /nfs/dbraw/zinc/44/97/46/527449746.db2.gz LHAXKPBVEKCKCT-WOJBJXKFSA-N 0 0 416.569 4.967 40 10 HJCBRN Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000003652814 557496851 /nfs/dbraw/zinc/49/68/51/557496851.db2.gz AFNVHAMMPZUKQX-JMIUGGIZSA-N 0 0 409.848 4.984 40 10 HJCBRN COC(=O)c1ccc(C=C2SC(Nc3ccc(Cl)cc3Cl)=NC2=O)cc1 ZINC000005660584 557666983 /nfs/dbraw/zinc/66/69/83/557666983.db2.gz SEXZJKPDNHALCZ-NVNXTCNLSA-N 0 0 407.278 4.862 40 10 HJCBRN O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CNc1ccccc1 ZINC000408718949 557758988 /nfs/dbraw/zinc/75/89/88/557758988.db2.gz CHEYXTZGELKXRK-XNTDXEJSSA-N 0 0 405.342 4.720 40 10 HJCBRN Oc1ccccc1[C@H]1N=C2SC(c3ccccc3)=NN2C(=S)N1c1ccccc1 ZINC000408721427 557769125 /nfs/dbraw/zinc/76/91/25/557769125.db2.gz HLORVLPFQYOJQP-IBGZPJMESA-N 0 0 416.531 4.963 40 10 HJCBRN COc1ccc2cc(C3=C/C(=C/c4cc(OC)c(OC)c(OC)c4)C(=O)O3)ccc2c1 ZINC000408721899 557770890 /nfs/dbraw/zinc/77/08/90/557770890.db2.gz BFMBKOUYNMBNBT-OCKHKDLRSA-N 0 0 418.445 4.856 40 10 HJCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2F)c1 ZINC000408756827 557816340 /nfs/dbraw/zinc/81/63/40/557816340.db2.gz XSFUFMADZCXGBZ-UDWIEESQSA-N 0 0 400.409 4.697 40 10 HJCBRN O=C(NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S)c1ccccc1 ZINC000009188730 557826249 /nfs/dbraw/zinc/82/62/49/557826249.db2.gz BJJJEKNGDTXOKA-ZROIWOOFSA-N 0 0 409.319 4.540 40 10 HJCBRN COc1cc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)ccc1OCc1ccccc1 ZINC000013547390 558538339 /nfs/dbraw/zinc/53/83/39/558538339.db2.gz BJFNADQCEKPWOM-CPEHUTGBSA-N 0 0 422.550 4.976 40 10 HJCBRN CC(C)(C)c1ccc(OCCOc2ccccc2C=C2SC(=S)NC2=O)cc1 ZINC000016323265 558786440 /nfs/dbraw/zinc/78/64/40/558786440.db2.gz PBNPFYDPGIMEOB-XMHGGMMESA-N 0 0 413.564 4.931 40 10 HJCBRN COc1ccc(S(=O)(=O)Nc2ccc(O)c(-n3c(C)c(C)c4ccccc43)c2)cc1 ZINC000016779674 558806819 /nfs/dbraw/zinc/80/68/19/558806819.db2.gz IKSFGGHYQPUBHV-UHFFFAOYSA-N 0 0 422.506 4.762 40 10 HJCBRN COc1ccccc1NC(=O)CC(=O)n1nc(C)c(N=Nc2ccccc2F)c1C ZINC000104282143 559159864 /nfs/dbraw/zinc/15/98/64/559159864.db2.gz YVURVOGOMDAWGV-IZHYLOQSSA-N 0 0 409.421 4.732 40 10 HJCBRN CCN1C(=O)[C@H](Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)SC1=S ZINC000006952519 559228687 /nfs/dbraw/zinc/22/86/87/559228687.db2.gz QTJNTJSKYDMEKM-KRWDZBQOSA-N 0 0 409.935 4.849 40 10 HJCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2F)cc1 ZINC000408758540 559271324 /nfs/dbraw/zinc/27/13/24/559271324.db2.gz MCKAKKVLTCQYBJ-UDWIEESQSA-N 0 0 400.409 4.697 40 10 HJCBRN COC(=O)c1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408760209 559275924 /nfs/dbraw/zinc/27/59/24/559275924.db2.gz UOOWZMOGAOSOIT-XQNSMLJCSA-N 0 0 410.473 4.925 40 10 HJCBRN CN(C)c1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000001329046 560573854 /nfs/dbraw/zinc/57/38/54/560573854.db2.gz ZQTMDVGHEVVMLJ-UHFFFAOYSA-N 0 0 400.935 4.537 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000408763648 560629395 /nfs/dbraw/zinc/62/93/95/560629395.db2.gz GGXKDMMSADWAIT-HYARGMPZSA-N 0 0 416.452 4.986 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000408763235 560629419 /nfs/dbraw/zinc/62/94/19/560629419.db2.gz RUNSEGVOXPPEJN-KGENOOAVSA-N 0 0 402.425 4.677 40 10 HJCBRN Cc1cccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(F)cc2)c1 ZINC000408763430 560629447 /nfs/dbraw/zinc/62/94/47/560629447.db2.gz DUMZKOBDEFCXME-UDWIEESQSA-N 0 0 400.409 4.697 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408765745 560629843 /nfs/dbraw/zinc/62/98/43/560629843.db2.gz NPFPSYWNBMQAKR-DEDYPNTBSA-N 0 0 420.415 4.817 40 10 HJCBRN COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408767019 560630079 /nfs/dbraw/zinc/63/00/79/560630079.db2.gz UWKQEVVCOXWALR-RCCKNPSSSA-N 0 0 402.425 4.677 40 10 HJCBRN COc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(C)c1 ZINC000408842632 560646114 /nfs/dbraw/zinc/64/61/14/560646114.db2.gz PFTPCGHGFREDHK-RCCKNPSSSA-N 0 0 413.433 4.746 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000408893897 560650409 /nfs/dbraw/zinc/65/04/09/560650409.db2.gz ODPKKKKAXQVHEK-PDGQHHTCSA-N 0 0 412.283 4.635 40 10 HJCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408937117 560656308 /nfs/dbraw/zinc/65/63/08/560656308.db2.gz IBZQCCYWXUMENE-HZHRSRAPSA-N 0 0 414.436 4.847 40 10 HJCBRN O=C1C(=Cc2ccc(Cl)s2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408968284 560659492 /nfs/dbraw/zinc/65/94/92/560659492.db2.gz XVHWAZARBNPLCD-UHFFFAOYSA-N 0 0 408.866 4.985 40 10 HJCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1cccnc1 ZINC000408969636 560659639 /nfs/dbraw/zinc/65/96/39/560659639.db2.gz RHHLQVWQGBWQEF-UNOMPAQXSA-N 0 0 410.399 4.838 40 10 HJCBRN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409001936 560663967 /nfs/dbraw/zinc/66/39/67/560663967.db2.gz YCDAQHIZZFGCFF-NVNXTCNLSA-N 0 0 407.358 4.654 40 10 HJCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O ZINC000409018397 560666021 /nfs/dbraw/zinc/66/60/21/560666021.db2.gz WQABCCDZGVUBEJ-KZKLBEMASA-N 0 0 412.511 4.716 40 10 HJCBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)S1 ZINC000409023428 560667224 /nfs/dbraw/zinc/66/72/24/560667224.db2.gz WVOUYRIYUPIMAM-MFOYZWKCSA-N 0 0 421.305 4.679 40 10 HJCBRN CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)S1 ZINC000409025958 560668041 /nfs/dbraw/zinc/66/80/41/560668041.db2.gz BUTDEJCENVEIGQ-MTJSOVHGSA-N 0 0 420.465 4.664 40 10 HJCBRN O=C1/C(=C\c2cc(Br)ccc2O)C(c2ccccc2)=NN1c1ccccc1 ZINC000409093455 560674456 /nfs/dbraw/zinc/67/44/56/560674456.db2.gz ZLBURZXTIOPOKM-RGEXLXHISA-N 0 0 419.278 4.989 40 10 HJCBRN CCOc1c(Cl)cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Cl ZINC000409123336 560680004 /nfs/dbraw/zinc/68/00/04/560680004.db2.gz FSAFTLIVUHUUGP-GDNBJRDFSA-N 0 0 421.305 4.792 40 10 HJCBRN CN1C(=O)/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)SC1=S ZINC000409136974 560682547 /nfs/dbraw/zinc/68/25/47/560682547.db2.gz UIGAAWOMZROLNL-ZHZULCJRSA-N 0 0 408.548 4.941 40 10 HJCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000409223502 560698913 /nfs/dbraw/zinc/69/89/13/560698913.db2.gz ZTOKUNPLTKNUCT-BUVRLJJBSA-N 0 0 422.488 4.735 40 10 HJCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OC ZINC000409329869 560710119 /nfs/dbraw/zinc/71/01/19/560710119.db2.gz IAUDNABHPSBQFV-MHWRWJLKSA-N 0 0 405.928 4.759 40 10 HJCBRN CCOc1c(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cccc1OC ZINC000409330260 560710234 /nfs/dbraw/zinc/71/02/34/560710234.db2.gz KHUAAJBKMCFKFU-ATVHPVEESA-N 0 0 401.509 4.508 40 10 HJCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O ZINC000409338385 560712516 /nfs/dbraw/zinc/71/25/16/560712516.db2.gz IXFWNQAZFVOUSD-LICLKQGHSA-N 0 0 419.911 4.680 40 10 HJCBRN CSc1cccc(N2C(=O)/C(=C/c3ccc(NC(C)=O)cc3)SC2=S)c1 ZINC000409338694 560712671 /nfs/dbraw/zinc/71/26/71/560712671.db2.gz ONIOJZIHBNVOCN-YVLHZVERSA-N 0 0 400.550 4.773 40 10 HJCBRN CCOc1c(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cccc1OC ZINC000409351313 560713775 /nfs/dbraw/zinc/71/37/75/560713775.db2.gz TVTDAJBOVJYZLY-SFQUDFHCSA-N 0 0 401.509 4.508 40 10 HJCBRN CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(CCC)C1=O ZINC000409345899 560714680 /nfs/dbraw/zinc/71/46/80/560714680.db2.gz MBHNMZHLSXDCKB-UVTDQMKNSA-N 0 0 400.363 4.849 40 10 HJCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000005738340 560738469 /nfs/dbraw/zinc/73/84/69/560738469.db2.gz XBYNYXOFLODSKE-VBHSOAQHSA-N 0 0 401.806 4.992 40 10 HJCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000006348324 560741156 /nfs/dbraw/zinc/74/11/56/560741156.db2.gz KISVUKNJEFQBDH-JCMHNJIXSA-N 0 0 415.445 4.945 40 10 HJCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(Cl)c1C ZINC000106953516 560746366 /nfs/dbraw/zinc/74/63/66/560746366.db2.gz ZKWKYJYTJVJLIY-MTJSOVHGSA-N 0 0 419.937 4.826 40 10 HJCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000014415091 560846324 /nfs/dbraw/zinc/84/63/24/560846324.db2.gz ZMSFJVHFVKQMLO-PGMHBOJBSA-N 0 0 407.535 4.714 40 10 HJCBRN COc1cc(Br)c(C=C2SC(Nc3ccccc3)=NC2=O)cc1OC ZINC000016049960 560858178 /nfs/dbraw/zinc/85/81/78/560858178.db2.gz VPHVTRLEWPTTMT-SXGWCWSVSA-N 0 0 419.300 4.549 40 10 HJCBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cccc2ccccc21 ZINC000017091031 560865773 /nfs/dbraw/zinc/86/57/73/560865773.db2.gz ALHNBXYSRWRQPO-HAHDFKILSA-N 0 0 417.440 4.631 40 10 HJCBRN C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 ZINC000208221398 568443607 /nfs/dbraw/zinc/44/36/07/568443607.db2.gz FIXAGHFZGYAHAL-DKNZLLBESA-N 0 0 407.489 4.641 40 10 HJCBRN C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217872623 568474189 /nfs/dbraw/zinc/47/41/89/568474189.db2.gz NBLBWIFZZOHGNA-CABCVRRESA-N 0 0 401.894 4.976 40 10 HJCBRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC ZINC000217924452 568474318 /nfs/dbraw/zinc/47/43/18/568474318.db2.gz GPAJYRRBBQWZKG-KMDKVFFASA-N 0 0 408.542 4.831 40 10 HJCBRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218120234 568475260 /nfs/dbraw/zinc/47/52/60/568475260.db2.gz RVMDXPRMBCSOCS-CABCVRRESA-N 0 0 401.894 4.976 40 10 HJCBRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219358812 568490584 /nfs/dbraw/zinc/49/05/84/568490584.db2.gz LNWQRIYADVYMFJ-IMWIBFENSA-N 0 0 410.558 4.966 40 10 HJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ncccc1C ZINC000222621060 568521039 /nfs/dbraw/zinc/52/10/39/568521039.db2.gz RLBWTCVAASVFEX-DQLDELGASA-N 0 0 403.555 4.782 40 10 HJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)cc(Br)c3O)N21 ZINC000222674211 568523253 /nfs/dbraw/zinc/52/32/53/568523253.db2.gz GESRDXAFRDZOQC-OAUYIBNBSA-N 0 0 418.360 4.838 40 10 HJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3OC)N21 ZINC000222677379 568523308 /nfs/dbraw/zinc/52/33/08/568523308.db2.gz JGJQYFASUVSPRI-NPFVIJTESA-N 0 0 408.571 4.670 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1O ZINC000222830799 568527706 /nfs/dbraw/zinc/52/77/06/568527706.db2.gz WZVBTTXSDJRTDR-FGZHOGPDSA-N 0 0 406.555 4.576 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(C)ccn1 ZINC000222837497 568527866 /nfs/dbraw/zinc/52/78/66/568527866.db2.gz UYXIRQGGTQRJOQ-FGZHOGPDSA-N 0 0 405.571 4.573 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000222876252 568529369 /nfs/dbraw/zinc/52/93/69/568529369.db2.gz CAYLWLCRNAUSKY-PKTZIBPZSA-N 0 0 420.582 4.880 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000222883249 568529541 /nfs/dbraw/zinc/52/95/41/568529541.db2.gz BKYNWIHJQYAPBJ-NHCUHLMSSA-N 0 0 405.571 4.575 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1O ZINC000222921296 568530920 /nfs/dbraw/zinc/53/09/20/568530920.db2.gz MZCGQNNEJPVSIJ-DHIUTWEWSA-N 0 0 420.582 4.823 40 10 HJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 ZINC000222943631 568531870 /nfs/dbraw/zinc/53/18/70/568531870.db2.gz KXAOTCUFWJOKLL-DHIUTWEWSA-N 0 0 420.582 4.818 40 10 HJCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000222988332 568533352 /nfs/dbraw/zinc/53/33/52/568533352.db2.gz GRZMJXVVOOOQPW-PKTZIBPZSA-N 0 0 420.582 4.962 40 10 HJCBRN c1ccc2c(c1)c(N1CCOCC1)cc1c2O[C@@H]2CCCC[C@]2(N2CCCCC2)O1 ZINC000020528601 568625712 /nfs/dbraw/zinc/62/57/12/568625712.db2.gz NYEAMANZCHMFME-NOZRDPDXSA-N 0 0 408.542 4.572 40 10 HJCBRN C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225383245 568632963 /nfs/dbraw/zinc/63/29/63/568632963.db2.gz NHKBGXBKCRGCLG-NRFANRHFSA-N 0 0 406.570 4.849 40 10 HJCBRN C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1 ZINC000225813848 568676703 /nfs/dbraw/zinc/67/67/03/568676703.db2.gz JJVREANJIIGOCW-MRXNPFEDSA-N 0 0 406.448 4.952 40 10 HJCBRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1C ZINC000225869830 568682115 /nfs/dbraw/zinc/68/21/15/568682115.db2.gz YBFJBRRAFYQZRU-IBGZPJMESA-N 0 0 416.587 4.588 40 10 HJCBRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000260764758 568737992 /nfs/dbraw/zinc/73/79/92/568737992.db2.gz MCUMTZRAGQQQFJ-LPHOPBHVSA-N 0 0 416.587 4.588 40 10 HJCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Cc1cccc(Cl)c1 ZINC000256055371 568774812 /nfs/dbraw/zinc/77/48/12/568774812.db2.gz DREOEPVWOHOURX-PDGQHHTCSA-N 0 0 419.930 4.882 40 10 HJCBRN CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000054498910 569352301 /nfs/dbraw/zinc/35/23/01/569352301.db2.gz XHKQYIBDDHXERP-PXNMLYILSA-N 0 0 406.891 4.843 40 10 HJCBRN CCCOc1ccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OCC)cc1OCC ZINC000034688161 569360641 /nfs/dbraw/zinc/36/06/41/569360641.db2.gz VEKZWKXAZDLSBC-UYRXBGFRSA-N 0 0 415.530 4.593 40 10 HJCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)SC1=S ZINC000108239396 569361271 /nfs/dbraw/zinc/36/12/71/569361271.db2.gz PKFJZMIZENWEFL-UNOMPAQXSA-N 0 0 421.547 4.501 40 10 HJCBRN Cc1ccc2nc(C)cc(OCC(=O)NCc3ccc(N4CCCCC4)cc3)c2c1 ZINC000141564329 569361432 /nfs/dbraw/zinc/36/14/32/569361432.db2.gz KINNVZTUITXTQQ-UHFFFAOYSA-N 0 0 403.526 4.537 40 10 HJCBRN COc1ccc(CCN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1OC ZINC000008821552 571121662 /nfs/dbraw/zinc/12/16/62/571121662.db2.gz MQDYIGZMBAEQCQ-NDENLUEZSA-N 0 0 424.547 4.629 40 10 HJCBRN O=S(=O)(Nc1cc(SC2=NCCS2)c(O)c2ccccc12)c1ccccc1 ZINC000008870462 571130136 /nfs/dbraw/zinc/13/01/36/571130136.db2.gz SHFWTDJWXPFTIY-UHFFFAOYSA-N 0 0 416.549 4.541 40 10 HJCBRN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccc(Cl)cc1 ZINC000001182851 132241036 /nfs/dbraw/zinc/24/10/36/132241036.db2.gz YRCQLSIGVOVFAG-PDGQHHTCSA-N 0 0 418.349 4.786 40 10 HJCBRN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(SC4CCCCC4)o3)C2=N)S1 ZINC000041083266 519557783 /nfs/dbraw/zinc/55/77/83/519557783.db2.gz SHQGHVJXPIMQFR-MKGVMWAWSA-N 0 0 402.545 4.980 40 10 HJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=N)S1 ZINC000041083398 519894594 /nfs/dbraw/zinc/89/45/94/519894594.db2.gz MKLAYDSPIHWMIO-ZTPJVXOPSA-N 0 0 405.527 4.822 40 10 HJCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3)C2=N)S1 ZINC000041083037 519947272 /nfs/dbraw/zinc/94/72/72/519947272.db2.gz JUUBHRCAOIDEMP-QVRVXCEOSA-N 0 0 405.527 4.985 40 10 HJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=N)N2O1 ZINC000041078326 520854648 /nfs/dbraw/zinc/85/46/48/520854648.db2.gz XEWGHXRGYOQCQC-UTXWOTMXSA-N 0 0 411.820 4.508 40 10 HJCBRN COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)ccc1Cl ZINC000225695615 521892138 /nfs/dbraw/zinc/89/21/38/521892138.db2.gz GFUGJJZTUWESMB-CQSZACIVSA-N 0 0 417.962 4.774 40 10 HJCBRN Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000044854846 527449101 /nfs/dbraw/zinc/44/91/01/527449101.db2.gz OIQCVKYVWQRDOP-LJQANCHMSA-N 0 0 402.542 4.721 40 10 HJCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001163629 557219574 /nfs/dbraw/zinc/21/95/74/557219574.db2.gz DGQGUJJPFWSMSY-CIAFOILYSA-N 0 0 423.875 4.980 40 10 HJCBRN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNNc1ccccc1Cl ZINC000408536284 557329065 /nfs/dbraw/zinc/32/90/65/557329065.db2.gz VTELOEARKFAKJS-UVTDQMKNSA-N 0 0 419.710 4.634 40 10 HJCBRN C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c([O-])ccc3cc(-c4ccccn4)c(=O)oc31)C2 ZINC000004188485 557526540 /nfs/dbraw/zinc/52/65/40/557526540.db2.gz XAUXRNPLUMFIHE-GKVSMKOHSA-N 0 0 404.510 4.961 40 10 HJCBRN CCc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S ZINC000004745289 557591701 /nfs/dbraw/zinc/59/17/01/557591701.db2.gz NEJGZQNUKCFWRI-AQTBWJFISA-N 0 0 414.527 4.618 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558833619 /nfs/dbraw/zinc/83/36/19/558833619.db2.gz VAHPXTYRNRABIE-STZFKDTASA-N 0 0 405.494 4.870 40 10 HJCBRN Cc1ccc(SCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 ZINC000033396967 559160924 /nfs/dbraw/zinc/16/09/24/559160924.db2.gz DFINMYXGUYBUHJ-AQTBWJFISA-N 0 0 401.578 4.997 40 10 HJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C2=N)S1 ZINC000033649318 559226050 /nfs/dbraw/zinc/22/60/50/559226050.db2.gz PJSHAJIBWBDIIM-PBOWYIGHSA-N 0 0 405.527 4.573 40 10 HJCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1Cl ZINC000001235920 560572822 /nfs/dbraw/zinc/57/28/22/560572822.db2.gz JKMSWTOVDSWYPY-FOWTUZBSSA-N 0 0 402.928 4.570 40 10 HJCBRN CCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(C(C)=O)c1 ZINC000001355670 560577592 /nfs/dbraw/zinc/57/75/92/560577592.db2.gz KFBLJCUIDBPKLD-UHFFFAOYSA-N 0 0 423.538 4.902 40 10 HJCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)o1 ZINC000004838101 560609214 /nfs/dbraw/zinc/60/92/14/560609214.db2.gz KMTQYMRMRPBEES-UYRXBGFRSA-N 0 0 403.394 4.670 40 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560662954 /nfs/dbraw/zinc/66/29/54/560662954.db2.gz RYZVYBBQNDMXRE-CJLVFECKSA-N 0 0 414.461 4.547 40 10 HJCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c(OC)c1 ZINC000409333229 560710669 /nfs/dbraw/zinc/71/06/69/560710669.db2.gz RJEXLFUWAIYYHJ-RQZCQDPDSA-N 0 0 403.550 4.832 40 10 HJCBRN O=C1NC(=S)S/C1=C/c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000409341832 560711474 /nfs/dbraw/zinc/71/14/74/560711474.db2.gz CIYNRTDQLYTPKB-REZTVBANSA-N 0 0 402.903 4.971 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1Cl ZINC000409350819 560713766 /nfs/dbraw/zinc/71/37/66/560713766.db2.gz YTKBUPDYSWSXMD-OVCLIPMQSA-N 0 0 406.872 4.663 40 10 HJCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1 ZINC000106787592 560746232 /nfs/dbraw/zinc/74/62/32/560746232.db2.gz XXTLJEVDVBFBBF-PGMHBOJBSA-N 0 0 410.539 4.957 40 10 HJCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000006952901 560747073 /nfs/dbraw/zinc/74/70/73/560747073.db2.gz YLSNSJRRUMZAMK-IUUKEHGRSA-N 0 0 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CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219564723 568495425 /nfs/dbraw/zinc/49/54/25/568495425.db2.gz AZHXSXMNRYBSOY-SIKLNZKXSA-N 0 0 410.558 4.966 40 10 HJCBRN CCOc1cc(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222606947 568520436 /nfs/dbraw/zinc/52/04/36/568520436.db2.gz XKHXWAPNRHRMQO-WQTXXOFMSA-N 0 0 408.571 4.670 40 10 HJCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3OC)N21 ZINC000222677458 568523387 /nfs/dbraw/zinc/52/33/87/568523387.db2.gz JGJQYFASUVSPRI-KNXBSLHKSA-N 0 0 408.571 4.670 40 10 HJCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222747571 568525438 /nfs/dbraw/zinc/52/54/38/568525438.db2.gz DPFZOHIWACKVTF-GGAORHGYSA-N 0 0 404.583 4.962 40 10 HJCBRN COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)ccc2c1 ZINC000223216106 568541262 /nfs/dbraw/zinc/54/12/62/568541262.db2.gz HQMNFDOXSLFSKP-SFHVURJKSA-N 0 0 424.566 4.878 40 10 HJCBRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000223395543 568547400 /nfs/dbraw/zinc/54/74/00/568547400.db2.gz FCPVSFBIUHHELK-HZPDHXFCSA-N 0 0 422.978 4.624 40 10 HJCBRN S=C(NCCCN1CCc2ccccc21)Nc1ccc(Br)c(Cl)c1 ZINC000225560130 568651189 /nfs/dbraw/zinc/65/11/89/568651189.db2.gz RGQALDLAZFPPQW-UHFFFAOYSA-N 0 0 424.795 4.842 40 10 HJCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1N1CCCC1=O ZINC000225696625 568665344 /nfs/dbraw/zinc/66/53/44/568665344.db2.gz JUHJVQDEYIWXMX-SFHVURJKSA-N 0 0 422.598 4.770 40 10 HJCBRN Fc1cc(Br)ccc1NC(=S)NCCCN1CCCc2ccccc21 ZINC000225746166 568670745 /nfs/dbraw/zinc/67/07/45/568670745.db2.gz XOBJXKOFRKVICH-UHFFFAOYSA-N 0 0 422.367 4.718 40 10 HJCBRN C[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000225838649 568679558 /nfs/dbraw/zinc/67/95/58/568679558.db2.gz ZNLJNLWYBNNZMS-AWEZNQCLSA-N 0 0 409.477 4.590 40 10 HJCBRN O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000059459821 568704601 /nfs/dbraw/zinc/70/46/01/568704601.db2.gz CIXSNWYNEDFKIO-ZROIWOOFSA-N 0 0 421.297 4.763 40 10 HJCBRN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000059459809 568704645 /nfs/dbraw/zinc/70/46/45/568704645.db2.gz DHFOTMGAZSIHID-ZROIWOOFSA-N 0 0 421.297 4.763 40 10 HJCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000059427948 568706543 /nfs/dbraw/zinc/70/65/43/568706543.db2.gz PYDHPLDZUGDVST-STZFKDTASA-N 0 0 405.494 4.594 40 10 HJCBRN C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260760880 568737680 /nfs/dbraw/zinc/73/76/80/568737680.db2.gz BUJADCVLZRGEIV-LEWJYISDSA-N 0 0 406.570 4.849 40 10 HJCBRN Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)cc2)n1 ZINC000260899544 568743199 /nfs/dbraw/zinc/74/31/99/568743199.db2.gz LZKCCYQGRJQZIO-IBGZPJMESA-N 0 0 416.569 4.715 40 10 HJCBRN CN(c1ccccc1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)S(C)(=O)=O ZINC000102830342 569050409 /nfs/dbraw/zinc/05/04/09/569050409.db2.gz SOUDDGLWTDUWAO-WCWDXBQESA-N 0 0 408.483 4.750 40 10 HJCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cccc(Cl)c3)C2=N)S1 ZINC000013280962 569254667 /nfs/dbraw/zinc/25/46/67/569254667.db2.gz KDRQCMTVFWICKC-DXGGMCDASA-N 0 0 411.918 4.940 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC(F)F)c(OC)c3)SC2=S)cc1 ZINC000057546831 569352324 /nfs/dbraw/zinc/35/23/24/569352324.db2.gz UCWKAILPIRDRCG-MHWRWJLKSA-N 0 0 423.462 4.711 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1ccc(N(C)C)cc1 ZINC000033778006 569360502 /nfs/dbraw/zinc/36/05/02/569360502.db2.gz RZJKCKVNGHRLQR-NRFANRHFSA-N 0 0 409.555 4.870 40 10 HJCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408532812 557315728 /nfs/dbraw/zinc/31/57/28/557315728.db2.gz VZEDNUDYOOBJKL-SXGWCWSVSA-N 0 0 423.918 4.946 40 10 HJCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(C)c1 ZINC000408589249 557494055 /nfs/dbraw/zinc/49/40/55/557494055.db2.gz ZMHIGUJTEXCTDO-WQRHYEAKSA-N 0 0 401.384 4.891 40 10 HJCBRN CCCCCOC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000005370945 557647419 /nfs/dbraw/zinc/64/74/19/557647419.db2.gz GZLHUDCYYUMPNL-AWPVNJRXSA-N 0 0 403.569 4.958 40 10 HJCBRN CC[C@H]1CCCCN1C(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000005370994 557647598 /nfs/dbraw/zinc/64/75/98/557647598.db2.gz MNSOCRABMLTMEK-ITXOMFJXSA-N 0 0 414.596 4.625 40 10 HJCBRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Br)o3)SC2=S)cc1 ZINC000005371587 557647779 /nfs/dbraw/zinc/64/77/79/557647779.db2.gz OXFHMWHUNKBSHB-MDWZMJQESA-N 0 0 408.298 4.651 40 10 HJCBRN O=C1N=C(Nc2cccc(I)c2)SC1=CC=Cc1ccco1 ZINC000008821944 557811032 /nfs/dbraw/zinc/81/10/32/557811032.db2.gz YVRVXTBQFTVDSE-NTOUICHMSA-N 0 0 422.247 4.523 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408753182 557814259 /nfs/dbraw/zinc/81/42/59/557814259.db2.gz IMALNIHFLBJPIW-KGENOOAVSA-N 0 0 414.461 4.552 40 10 HJCBRN COc1ccc(C=C2SC(Nc3ccc(Br)cc3)=NC2=O)c(OC)c1 ZINC000016692844 558800475 /nfs/dbraw/zinc/80/04/75/558800475.db2.gz VXEBKSDCEVYMLX-CXUHLZMHSA-N 0 0 419.300 4.549 40 10 HJCBRN Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O)c2ccccc12 ZINC000016779677 558806815 /nfs/dbraw/zinc/80/68/15/558806815.db2.gz MLPCMAMYRNONHH-UHFFFAOYSA-N 0 0 410.470 4.893 40 10 HJCBRN Cc1cccc(C2(C(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)CCOCC2)c1 ZINC000019662260 558953306 /nfs/dbraw/zinc/95/33/06/558953306.db2.gz YXWDERJMVKRKMK-OAQYLSRUSA-N 0 0 406.570 4.911 40 10 HJCBRN CC(C)CN1C(=O)[C@H](Cc2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000006326113 559198254 /nfs/dbraw/zinc/19/82/54/559198254.db2.gz GQJWZMNKCVTTBA-IBGZPJMESA-N 0 0 403.544 4.832 40 10 HJCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2F)cc1 ZINC000408758761 559271291 /nfs/dbraw/zinc/27/12/91/559271291.db2.gz QRLMKVARFCBYOZ-KGENOOAVSA-N 0 0 401.397 4.877 40 10 HJCBRN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466309 559288768 /nfs/dbraw/zinc/28/87/68/559288768.db2.gz NBLBWIFZZOHGNA-LSDHHAIUSA-N 0 0 401.894 4.976 40 10 HJCBRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466373 559288886 /nfs/dbraw/zinc/28/88/86/559288886.db2.gz RVMDXPRMBCSOCS-GJZGRUSLSA-N 0 0 401.894 4.976 40 10 HJCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000408765162 560629719 /nfs/dbraw/zinc/62/97/19/560629719.db2.gz WWYCSJQSVJORQW-DEDYPNTBSA-N 0 0 405.360 4.708 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(F)cc2)cc1 ZINC000408764862 560629766 /nfs/dbraw/zinc/62/97/66/560629766.db2.gz NLWURTDMRFXDRY-KGENOOAVSA-N 0 0 417.396 4.577 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000408791917 560641949 /nfs/dbraw/zinc/64/19/49/560641949.db2.gz FFUQWOARHIPQQW-WJDWOHSUSA-N 0 0 405.347 4.722 40 10 HJCBRN O=C1/C(=C\c2ccco2)N=C(c2ccc(Br)cc2)N1c1ccc(O)cc1 ZINC000408848644 560646951 /nfs/dbraw/zinc/64/69/51/560646951.db2.gz XNJIQRKVCUPQPO-LDADJPATSA-N 0 0 409.239 4.582 40 10 HJCBRN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000408999222 560663576 /nfs/dbraw/zinc/66/35/76/560663576.db2.gz QBYVFJUSJINOIW-OCEACIFDSA-N 0 0 422.510 4.718 40 10 HJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000409022591 560667056 /nfs/dbraw/zinc/66/70/56/560667056.db2.gz BUZDISQNSOLUAV-LSCVHKIXSA-N 0 0 418.276 4.879 40 10 HJCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1O ZINC000409078352 560674385 /nfs/dbraw/zinc/67/43/85/560674385.db2.gz HOONQQSICIEGCR-PDGQHHTCSA-N 0 0 404.853 4.889 40 10 HJCBRN COCCN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1=O ZINC000409211375 560695205 /nfs/dbraw/zinc/69/52/05/560695205.db2.gz NAHZQXPRFSDZGL-YVLHZVERSA-N 0 0 424.444 4.796 40 10 HJCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000409240385 560699963 /nfs/dbraw/zinc/69/99/63/560699963.db2.gz TWDXWUKWILCDLP-WSDLNYQXSA-N 0 0 403.457 4.635 40 10 HJCBRN CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409350616 560713703 /nfs/dbraw/zinc/71/37/03/560713703.db2.gz RVMYUUOZZCLMKD-GZTJUZNOSA-N 0 0 400.481 4.788 40 10 HJCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OC(F)F)c(OC)c2)SC1=S ZINC000409355045 560714423 /nfs/dbraw/zinc/71/44/23/560714423.db2.gz BEVMMDGTLRBFJJ-YBEGLDIGSA-N 0 0 423.462 4.711 40 10 HJCBRN O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2)ccc2ccccc21 ZINC000409398523 560720649 /nfs/dbraw/zinc/72/06/49/560720649.db2.gz BSNXOHUHBDFWST-ULJHMMPZSA-N 0 0 420.468 4.880 40 10 HJCBRN CCOc1cc(C=C2SC(Nc3ccccc3Br)=NC2=O)ccc1O ZINC000001452243 560728420 /nfs/dbraw/zinc/72/84/20/560728420.db2.gz OXUHOWKHECDFBS-MHWRWJLKSA-N 0 0 419.300 4.636 40 10 HJCBRN COc1ccc(C=C2SC(Nc3ccc(C)cc3)=NC2=O)cc1Br ZINC000006256047 560740670 /nfs/dbraw/zinc/74/06/70/560740670.db2.gz POAPAYGYYFRTKF-YBEGLDIGSA-N 0 0 403.301 4.849 40 10 HJCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208228639 568443738 /nfs/dbraw/zinc/44/37/38/568443738.db2.gz NUSNMRQOSFBWGR-WBRURWICSA-N 0 0 403.526 4.810 40 10 HJCBRN CN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc4ccccc43)cc2)SC1=S ZINC000005525349 568446961 /nfs/dbraw/zinc/44/69/61/568446961.db2.gz DFFGWECDCRGFNU-CPNJWEJPSA-N 0 0 405.500 4.890 40 10 HJCBRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC ZINC000217924640 568474333 /nfs/dbraw/zinc/47/43/33/568474333.db2.gz SCULMEFIUVLDFN-WQTYRNQXSA-N 0 0 408.542 4.831 40 10 HJCBRN C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(N2CCC(C)CC2)cc1 ZINC000222644727 568522044 /nfs/dbraw/zinc/52/20/44/568522044.db2.gz GQZCYTMVPPCPPB-LJQANCHMSA-N 0 0 408.542 4.504 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ncccc1C ZINC000222837757 568527977 /nfs/dbraw/zinc/52/79/77/568527977.db2.gz NGHKLLBLRWFRID-NHCUHLMSSA-N 0 0 405.571 4.573 40 10 HJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)cc1 ZINC000222854266 568528518 /nfs/dbraw/zinc/52/85/18/568528518.db2.gz KFXOKTMWMPTCRW-FCHUYYIVSA-N 0 0 406.555 4.570 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000222876114 568529358 /nfs/dbraw/zinc/52/93/58/568529358.db2.gz BXUBKYZMUTVCDI-FGZHOGPDSA-N 0 0 406.555 4.577 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000222883477 568529565 /nfs/dbraw/zinc/52/95/65/568529565.db2.gz FVAJINXIYXKTAB-FGZHOGPDSA-N 0 0 405.571 4.575 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000222899482 568530116 /nfs/dbraw/zinc/53/01/16/568530116.db2.gz ZQGGSRYQCZATOW-YADHBBJMSA-N 0 0 406.555 4.572 40 10 HJCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)n1-c1ccccc1 ZINC000223366438 568546663 /nfs/dbraw/zinc/54/66/63/568546663.db2.gz CYMUSDHMIHWTPU-XZOQPEGZSA-N 0 0 414.534 4.946 40 10 HJCBRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1 ZINC000223699148 568556628 /nfs/dbraw/zinc/55/66/28/568556628.db2.gz HISWUPUQVWCNJE-CQSZACIVSA-N 0 0 413.370 4.708 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1OC ZINC000059435729 568704079 /nfs/dbraw/zinc/70/40/79/568704079.db2.gz PGSQVBXPJIYIJC-GDNBJRDFSA-N 0 0 418.276 4.879 40 10 HJCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)c(O)c1 ZINC000059514414 568708577 /nfs/dbraw/zinc/70/85/77/568708577.db2.gz OIFMTEGCDAQNLK-XDHOZWIPSA-N 0 0 414.552 4.653 40 10 HJCBRN COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1C ZINC000260737509 568736691 /nfs/dbraw/zinc/73/66/91/568736691.db2.gz LFZOUJDNHSORRJ-INIZCTEOSA-N 0 0 411.571 4.505 40 10 HJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(C)cn1 ZINC000260755994 568737528 /nfs/dbraw/zinc/73/75/28/568737528.db2.gz CRGHJMMWLMDKPV-URZJWIJPSA-N 0 0 403.555 4.782 40 10 HJCBRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260790485 568739083 /nfs/dbraw/zinc/73/90/83/568739083.db2.gz FBUJKPIXJLNKRT-VQTJNVASSA-N 0 0 406.570 4.885 40 10 HJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=N)S1 ZINC000006569724 569066420 /nfs/dbraw/zinc/06/64/20/569066420.db2.gz XGEAQJICQZZQIO-PBOWYIGHSA-N 0 0 405.527 4.822 40 10 HJCBRN CCOC(=O)c1ccc(-n2c(C)cc([C@H]3NN=C(c4ccccc4)S3)c2C)cc1 ZINC000006630647 569334117 /nfs/dbraw/zinc/33/41/17/569334117.db2.gz QJLIVHZFUGWOLA-QFIPXVFZSA-N 0 0 405.523 4.968 40 10 HJCBRN CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)S1 ZINC000032110020 519642991 /nfs/dbraw/zinc/64/29/91/519642991.db2.gz LQYHWCLAFWJJST-RQZCQDPDSA-N 0 0 421.305 4.679 40 10 HJCBRN CCN1C(=O)/C(=C/c2ccc(OCCOc3cc(C)cc(C)c3)cc2)SC1=S ZINC000041108571 521512043 /nfs/dbraw/zinc/51/20/43/521512043.db2.gz DLUZCEOMUFMRBH-ZHZULCJRSA-N 0 0 413.564 4.982 40 10 HJCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000001151343 557211382 /nfs/dbraw/zinc/21/13/82/557211382.db2.gz IFJUTZZQGNZYGX-CPNJWEJPSA-N 0 0 410.564 4.842 40 10 HJCBRN Cc1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000003178504 557453770 /nfs/dbraw/zinc/45/37/70/557453770.db2.gz XAGBUXHWUNKKOH-XMMPIXPASA-N 0 0 404.535 4.826 40 10 HJCBRN O=C1N=C(Nc2ccc(I)cc2)SC1=CC=Cc1ccco1 ZINC000008821945 557810984 /nfs/dbraw/zinc/81/09/84/557810984.db2.gz NFRPLYCYOREVRY-NQDFZQDQSA-N 0 0 422.247 4.523 40 10 HJCBRN COc1ccc(N2CCN([C@H](C)C(=O)n3c4ccccc4c4ccccc43)CC2)cc1 ZINC000037100504 558504837 /nfs/dbraw/zinc/50/48/37/558504837.db2.gz ZKJPVARAVWOMNR-LJQANCHMSA-N 0 0 413.521 4.654 40 10 HJCBRN COc1ccc(N2CCN([C@@H](C)C(=O)n3c4ccccc4c4ccccc43)CC2)cc1 ZINC000037100502 558504856 /nfs/dbraw/zinc/50/48/56/558504856.db2.gz ZKJPVARAVWOMNR-IBGZPJMESA-N 0 0 413.521 4.654 40 10 HJCBRN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccccc1F ZINC000040005895 558692653 /nfs/dbraw/zinc/69/26/53/558692653.db2.gz PGUYGNLFTTWWLK-WOJGMQOQSA-N 0 0 403.500 4.634 40 10 HJCBRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccccc2O)cc1 ZINC000019325911 558867680 /nfs/dbraw/zinc/86/76/80/558867680.db2.gz URUMPYLMYJXDQR-UHFFFAOYSA-N 0 0 418.537 4.816 40 10 HJCBRN C[C@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000019662159 558953311 /nfs/dbraw/zinc/95/33/11/558953311.db2.gz JCGCNSRZNXXIKY-IBGZPJMESA-N 0 0 410.533 4.742 40 10 HJCBRN Cc1ccc(C)n1-c1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072216800 559169704 /nfs/dbraw/zinc/16/97/04/559169704.db2.gz AKIGENMDFOHAPV-JOCHJYFZSA-N 0 0 409.555 4.713 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000408760044 559275915 /nfs/dbraw/zinc/27/59/15/559275915.db2.gz QMYKVHLQXAVFKD-HYARGMPZSA-N 0 0 416.452 4.986 40 10 HJCBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453314 559288106 /nfs/dbraw/zinc/28/81/06/559288106.db2.gz IWHPEOXPRQJAPT-GLDPYIMESA-N 0 0 410.558 4.966 40 10 HJCBRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC ZINC000260466401 559288910 /nfs/dbraw/zinc/28/89/10/559288910.db2.gz SCULMEFIUVLDFN-YKQVTMLSSA-N 0 0 408.542 4.831 40 10 HJCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)S2)cc1 ZINC000408771012 560638687 /nfs/dbraw/zinc/63/86/87/560638687.db2.gz CBEIVCYLJQORRZ-YMSBRDKKSA-N 0 0 419.550 4.962 40 10 HJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000408903852 560651731 /nfs/dbraw/zinc/65/17/31/560651731.db2.gz AJISSWSKLLWVSL-XQNSMLJCSA-N 0 0 411.461 4.510 40 10 HJCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000408985395 560661475 /nfs/dbraw/zinc/66/14/75/560661475.db2.gz KNPNEQHIIMJSJJ-SXGWCWSVSA-N 0 0 418.276 4.879 40 10 HJCBRN COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2ccccc2)cc1 ZINC000408998352 560663369 /nfs/dbraw/zinc/66/33/69/560663369.db2.gz UHVZHRLHASSRMK-RCCKNPSSSA-N 0 0 414.461 4.547 40 10 HJCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O ZINC000409010885 560665392 /nfs/dbraw/zinc/66/53/92/560665392.db2.gz GBPWXVHPPCBIJI-KZKLBEMASA-N 0 0 412.511 4.716 40 10 HJCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)C1=O ZINC000409020529 560666681 /nfs/dbraw/zinc/66/66/81/560666681.db2.gz QFJSRQRYKJPLLN-DZUMZMOTSA-N 0 0 411.527 4.887 40 10 HJCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000409024312 560667694 /nfs/dbraw/zinc/66/76/94/560667694.db2.gz QCKDJDZBSREVJH-WQRHYEAKSA-N 0 0 417.383 4.591 40 10 HJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccccc1OC ZINC000409024503 560667819 /nfs/dbraw/zinc/66/78/19/560667819.db2.gz ZJEBUFZHMFRQCH-IUXPMGMMSA-N 0 0 418.276 4.879 40 10 HJCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1 ZINC000409052481 560669520 /nfs/dbraw/zinc/66/95/20/560669520.db2.gz UAMOHKCDWJEVBL-HKWRFOASSA-N 0 0 414.502 4.787 40 10 HJCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409073010 560673610 /nfs/dbraw/zinc/67/36/10/560673610.db2.gz FTKMTWDVOFCOSB-MTJSOVHGSA-N 0 0 423.875 4.980 40 10 HJCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000409111754 560677993 /nfs/dbraw/zinc/67/79/93/560677993.db2.gz BXYUYLAZPHPXDJ-RGVLZGJSSA-N 0 0 409.848 4.984 40 10 HJCBRN CCCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000409251333 560703535 /nfs/dbraw/zinc/70/35/35/560703535.db2.gz PCKHFYIYGNHZSK-DEDYPNTBSA-N 0 0 407.901 4.954 40 10 HJCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)c[nH]c21 ZINC000409351451 560713905 /nfs/dbraw/zinc/71/39/05/560713905.db2.gz USKVPRMTJKNEKM-LSCVHKIXSA-N 0 0 408.504 4.865 40 10 HJCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)C(C)=C2C(=O)OC)cc1 ZINC000006962014 560748761 /nfs/dbraw/zinc/74/87/61/560748761.db2.gz XUMFLIFQAIAHKJ-BOPFTXTBSA-N 0 0 415.848 4.755 40 10 HJCBRN CC(NCc1ccc(F)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000112125777 560776712 /nfs/dbraw/zinc/77/67/12/560776712.db2.gz MJALHZXSDUIABP-JWGURIENSA-N 0 0 403.432 4.780 40 10 HJCBRN COc1ccccc1CNC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000112286961 560777936 /nfs/dbraw/zinc/77/79/36/560777936.db2.gz UEUWZTVVVGSIHD-QJOMJCCJSA-N 0 0 415.468 4.649 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1Br ZINC000014414510 560845863 /nfs/dbraw/zinc/84/58/63/560845863.db2.gz DTWPVQNYIGJREV-ATVHPVEESA-N 0 0 412.283 4.635 40 10 HJCBRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2O)n2c(nc3ccccc32)N1 ZINC000014607234 560846874 /nfs/dbraw/zinc/84/68/74/560846874.db2.gz RTYIWOMQHQYRAY-JOCHJYFZSA-N 0 0 414.440 4.809 40 10 HJCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccc(F)cc3)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208223844 568443743 /nfs/dbraw/zinc/44/37/43/568443743.db2.gz CNEDSQMXHGEUMT-YQODDJSKSA-N 0 0 421.516 4.949 40 10 HJCBRN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217872390 568474218 /nfs/dbraw/zinc/47/42/18/568474218.db2.gz HNTJQLMZNZYICW-OAHLLOKOSA-N 0 0 401.894 4.976 40 10 HJCBRN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC ZINC000217924525 568474317 /nfs/dbraw/zinc/47/43/17/568474317.db2.gz GPAJYRRBBQWZKG-IPVAERDFSA-N 0 0 408.542 4.831 40 10 HJCBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000218757516 568483316 /nfs/dbraw/zinc/48/33/16/568483316.db2.gz GGZAJRXUMAKNNO-YADARESESA-N 0 0 410.558 4.966 40 10 HJCBRN C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219204166 568487913 /nfs/dbraw/zinc/48/79/13/568487913.db2.gz VWICNFACEBRNTI-RTBURBONSA-N 0 0 405.542 4.541 40 10 HJCBRN COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC ZINC000219281648 568488826 /nfs/dbraw/zinc/48/88/26/568488826.db2.gz SVWFIZGSHJCHEX-LJQANCHMSA-N 0 0 410.558 4.750 40 10 HJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(C)cn1 ZINC000222621411 568521078 /nfs/dbraw/zinc/52/10/78/568521078.db2.gz CRGHJMMWLMDKPV-WQTXXOFMSA-N 0 0 403.555 4.782 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(C)cn1 ZINC000222621282 568521092 /nfs/dbraw/zinc/52/10/92/568521092.db2.gz CRGHJMMWLMDKPV-KNXBSLHKSA-N 0 0 403.555 4.782 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000222876593 568529314 /nfs/dbraw/zinc/52/93/14/568529314.db2.gz RAURRQBVQSPIAM-DHIUTWEWSA-N 0 0 420.582 4.880 40 10 HJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000222875934 568529368 /nfs/dbraw/zinc/52/93/68/568529368.db2.gz BXUBKYZMUTVCDI-VXKWHMMOSA-N 0 0 406.555 4.577 40 10 HJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccn1 ZINC000222909414 568530404 /nfs/dbraw/zinc/53/04/04/568530404.db2.gz MSZIUYMQBBAIOH-FCHUYYIVSA-N 0 0 405.571 4.513 40 10 HJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(C)ccn1 ZINC000222927863 568531243 /nfs/dbraw/zinc/53/12/43/568531243.db2.gz ZKLWKHJYSKESQZ-PKTZIBPZSA-N 0 0 419.598 4.821 40 10 HJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(C)cn1 ZINC000222928380 568531295 /nfs/dbraw/zinc/53/12/95/568531295.db2.gz KJXPEPVOKAHCTD-PKTZIBPZSA-N 0 0 419.598 4.821 40 10 HJCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 ZINC000222943817 568531921 /nfs/dbraw/zinc/53/19/21/568531921.db2.gz KXAOTCUFWJOKLL-GOTSBHOMSA-N 0 0 420.582 4.818 40 10 HJCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000222972916 568532734 /nfs/dbraw/zinc/53/27/34/568532734.db2.gz NMZICGJSIYTZSE-FCHUYYIVSA-N 0 0 419.598 4.965 40 10 HJCBRN CCN1c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2[C@@H](C)CC1(C)C ZINC000223534968 568551147 /nfs/dbraw/zinc/55/11/47/568551147.db2.gz QJWQDWIDKLXSON-MNAFEPAFSA-N 0 0 403.551 4.569 40 10 HJCBRN CCN1c2cc(C)c(/C=c3\sc4nc5ccccc5n4c3=O)cc2[C@@H](C)CC1(C)C 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4.988 40 10 HJCBRN CCN(CCCNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccc(C)cc1 ZINC000225734179 568669152 /nfs/dbraw/zinc/66/91/52/568669152.db2.gz YUETXYMVKUNUAN-UHFFFAOYSA-N 0 0 419.978 4.638 40 10 HJCBRN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000059459812 568704623 /nfs/dbraw/zinc/70/46/23/568704623.db2.gz WTYCJRUKPSCPEF-ZROIWOOFSA-N 0 0 421.297 4.763 40 10 HJCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000059959186 568709538 /nfs/dbraw/zinc/70/95/38/568709538.db2.gz BYKGCFCIHOIFDS-WJDWOHSUSA-N 0 0 418.276 4.879 40 10 HJCBRN C[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260742751 568737383 /nfs/dbraw/zinc/73/73/83/568737383.db2.gz YSYIKQPTUILWHK-ZWKOTPCHSA-N 0 0 424.614 4.672 40 10 HJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)cc(Br)c3O)N21 ZINC000260759342 568737656 /nfs/dbraw/zinc/73/76/56/568737656.db2.gz GESRDXAFRDZOQC-DQYPLSBCSA-N 0 0 418.360 4.838 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(O)cc1 ZINC000260771891 568738471 /nfs/dbraw/zinc/73/84/71/568738471.db2.gz LWNHALJQTXGXPR-UJUVCNOISA-N 0 0 404.539 4.784 40 10 HJCBRN CCOc1cc(N(CC)CC)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260788355 568738908 /nfs/dbraw/zinc/73/89/08/568738908.db2.gz ZCDOPRAYMMKXIS-URZJWIJPSA-N 0 0 410.587 4.916 40 10 HJCBRN COc1ccc2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(Cl)nc2c1 ZINC000256055608 568774970 /nfs/dbraw/zinc/77/49/70/568774970.db2.gz NACLUKVPEHWUKB-PXNMLYILSA-N 0 0 416.911 4.891 40 10 HJCBRN CC/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCCCC1 ZINC000001199649 568930505 /nfs/dbraw/zinc/93/05/05/568930505.db2.gz KKOPVQHZENCQRV-SQFISAMPSA-N 0 0 408.449 4.711 40 10 HJCBRN COc1cc(Cl)c(C[C@@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1OC ZINC000008106939 569339579 /nfs/dbraw/zinc/33/95/79/569339579.db2.gz RLHJTMQEMLHNRY-KRWDZBQOSA-N 0 0 413.992 4.709 40 10 HJCBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000036081413 569351697 /nfs/dbraw/zinc/35/16/97/569351697.db2.gz BGWHIQPKHYRFBX-UYSIFFEZSA-N 0 0 415.243 4.913 40 10 HJCBRN C[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC(c2ccccc2Cl)=NO1 ZINC000141567716 569361403 /nfs/dbraw/zinc/36/14/03/569361403.db2.gz SSIWDQXBIBXZCK-HSZRJFAPSA-N 0 0 411.933 4.530 40 10 HJCBRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCCCC2)cc1 ZINC000010113268 132345226 /nfs/dbraw/zinc/34/52/26/132345226.db2.gz RBSPGTJBNHZBPV-UHFFFAOYSA-N 0 0 413.370 4.603 40 10 HJCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000041082963 526085083 /nfs/dbraw/zinc/08/50/83/526085083.db2.gz KKYIDXATLAZUFU-MHHBVAOCSA-N 0 0 423.517 4.899 40 10 HJCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000001179838 557229910 /nfs/dbraw/zinc/22/99/10/557229910.db2.gz WWRMMISHRXZRKN-SFQUDFHCSA-N 0 0 416.955 4.878 40 10 HJCBRN Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1C ZINC000005214220 557640254 /nfs/dbraw/zinc/64/02/54/557640254.db2.gz LULZPIBDVFTADR-PDGQHHTCSA-N 0 0 414.527 4.673 40 10 HJCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000005372273 557648083 /nfs/dbraw/zinc/64/80/83/557648083.db2.gz MSDMRQQVLPGBGV-WQRHYEAKSA-N 0 0 401.509 4.508 40 10 HJCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NC1CCCCC1 ZINC000006147553 557691277 /nfs/dbraw/zinc/69/12/77/557691277.db2.gz GOVPEOYSBCXZSG-NUTLWWKQSA-N 0 0 414.596 4.673 40 10 HJCBRN O=C1/C(=C\c2ccccc2F)SC(=S)N1CNc1ccc(Br)cc1 ZINC000408721026 557768748 /nfs/dbraw/zinc/76/87/48/557768748.db2.gz CPECSTCNVLWOCF-OQLLNIDSSA-N 0 0 423.332 4.859 40 10 HJCBRN COc1ccccc1NC1=NC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000035646642 557802849 /nfs/dbraw/zinc/80/28/49/557802849.db2.gz FIDHKBULSKTILM-UNOMPAQXSA-N 0 0 421.434 4.946 40 10 HJCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000408753696 557815480 /nfs/dbraw/zinc/81/54/80/557815480.db2.gz KJGSSWBWVKHMGO-XDHOZWIPSA-N 0 0 402.837 4.903 40 10 HJCBRN COc1ccc(N2N=C(C)/C(=C\c3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)cc1 ZINC000408756863 557816387 /nfs/dbraw/zinc/81/63/87/557816387.db2.gz KCLYPTDVWXMBRK-OEAKJJBVSA-N 0 0 400.482 4.612 40 10 HJCBRN COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000009188518 557826053 /nfs/dbraw/zinc/82/60/53/557826053.db2.gz UJTHOEPSNZRUEC-MFOYZWKCSA-N 0 0 421.927 4.772 40 10 HJCBRN COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O ZINC000009188678 557826272 /nfs/dbraw/zinc/82/62/72/557826272.db2.gz AKFYAKPVUOSWAC-JFENUBAZSA-N 0 0 415.536 4.675 40 10 HJCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)c1 ZINC000015013576 558701154 /nfs/dbraw/zinc/70/11/54/558701154.db2.gz ZHYVGXGGXOBUMF-XDHOZWIPSA-N 0 0 412.511 4.716 40 10 HJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408757922 558788182 /nfs/dbraw/zinc/78/81/82/558788182.db2.gz DUIZVBUJZCCHTI-PXLXIMEGSA-N 0 0 414.436 4.755 40 10 HJCBRN CCOc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000083302913 558833290 /nfs/dbraw/zinc/83/32/90/558833290.db2.gz AEYJFNVHALYEJX-CJLVFECKSA-N 0 0 413.433 4.828 40 10 HJCBRN Cc1cc(C)cc(OCCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 ZINC000033430078 559192233 /nfs/dbraw/zinc/19/22/33/559192233.db2.gz ZQRIVIXKOJOZSY-ZHZULCJRSA-N 0 0 413.564 4.982 40 10 HJCBRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466379 559288858 /nfs/dbraw/zinc/28/88/58/559288858.db2.gz RVMDXPRMBCSOCS-LSDHHAIUSA-N 0 0 401.894 4.976 40 10 HJCBRN COc1ccc2nc(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)sc2c1 ZINC000001775893 560558414 /nfs/dbraw/zinc/55/84/14/560558414.db2.gz GJMAFGKFFNHRAO-UHFFFAOYSA-N 0 0 416.458 4.623 40 10 HJCBRN O=C(Nc1ccc(N2CCCCC2)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000004600853 560608045 /nfs/dbraw/zinc/60/80/45/560608045.db2.gz BIUZECOZFGHSNZ-UHFFFAOYSA-N 0 0 410.473 4.705 40 10 HJCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(OC)cc2)cc1 ZINC000408766469 560630028 /nfs/dbraw/zinc/63/00/28/560630028.db2.gz RCIWCKGGLXNECH-RCCKNPSSSA-N 0 0 404.491 4.990 40 10 HJCBRN COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccccc2)cc1 ZINC000408766779 560630040 /nfs/dbraw/zinc/63/00/40/560630040.db2.gz RRVACQMQANRHHO-PXLXIMEGSA-N 0 0 414.461 4.547 40 10 HJCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408770374 560639086 /nfs/dbraw/zinc/63/90/86/560639086.db2.gz WTGBUTXJIONCEW-UHFFFAOYSA-N 0 0 417.801 4.652 40 10 HJCBRN COc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)OC4(CCCCC4)OC3=O)c2c1 ZINC000408770133 560639092 /nfs/dbraw/zinc/63/90/92/560639092.db2.gz TVAUZLMYUCXDKM-UHFFFAOYSA-N 0 0 417.461 4.987 40 10 HJCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(F)cc1 ZINC000408771802 560639142 /nfs/dbraw/zinc/63/91/42/560639142.db2.gz JEZDFPUZXMDVCO-UUYOSTAYSA-N 0 0 417.509 4.620 40 10 HJCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(F)cc2)c1 ZINC000408843526 560646234 /nfs/dbraw/zinc/64/62/34/560646234.db2.gz NMFYPRFCTVSBCU-XSFVSMFZSA-N 0 0 401.397 4.877 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408843163 560646757 /nfs/dbraw/zinc/64/67/57/560646757.db2.gz QQPLASWCQUCIMC-RCCKNPSSSA-N 0 0 402.425 4.677 40 10 HJCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2F)cc1 ZINC000408848608 560646978 /nfs/dbraw/zinc/64/69/78/560646978.db2.gz XJIIGQLVVHUVBD-XSFVSMFZSA-N 0 0 401.397 4.877 40 10 HJCBRN O=C(Oc1c(Cl)cc(/C=C2\SC(=S)NC2=O)cc1Cl)c1ccccc1 ZINC000408881857 560649995 /nfs/dbraw/zinc/64/99/95/560649995.db2.gz OTSNTDREKRHWCS-JYRVWZFOSA-N 0 0 410.303 4.701 40 10 HJCBRN COC(=O)c1cccc(-c2ccc(/C=C3\C(C)=NN(c4ccccc4)C3=O)o2)c1C ZINC000408902978 560652331 /nfs/dbraw/zinc/65/23/31/560652331.db2.gz TUABMBBKZBQQJE-KGENOOAVSA-N 0 0 400.434 4.848 40 10 HJCBRN Cc1ccc(Sc2oc(C=C3SC(=S)NC3=O)cc2Br)cc1 ZINC000408913963 560653696 /nfs/dbraw/zinc/65/36/96/560653696.db2.gz WKFITEOLAZHQPZ-KPKJPENVSA-N 0 0 412.355 4.991 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(O)c(OCC)c1 ZINC000408974215 560659883 /nfs/dbraw/zinc/65/98/83/560659883.db2.gz DJKIABCGLZFRPQ-MOSHPQCFSA-N 0 0 421.493 4.675 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000408973825 560659908 /nfs/dbraw/zinc/65/99/08/560659908.db2.gz CAOCRWZUJZFECJ-LGMDPLHJSA-N 0 0 401.384 4.973 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000408990574 560662129 /nfs/dbraw/zinc/66/21/29/560662129.db2.gz XLKUVBWYBOBEEL-BKUYFWCQSA-N 0 0 421.493 4.704 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000408991126 560662323 /nfs/dbraw/zinc/66/23/23/560662323.db2.gz ZEJSDOWBJIZRHQ-MOSHPQCFSA-N 0 0 406.438 4.595 40 10 HJCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(C)C ZINC000409081904 560673993 /nfs/dbraw/zinc/67/39/93/560673993.db2.gz IGWNARIWXOWBPB-YLRSXTQRSA-N 0 0 421.584 4.500 40 10 HJCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000409174110 560686889 /nfs/dbraw/zinc/68/68/89/560686889.db2.gz LHVRJYRWVMSTPF-SNUQEOBHSA-N 0 0 401.806 4.992 40 10 HJCBRN Cc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409331877 560710386 /nfs/dbraw/zinc/71/03/86/560710386.db2.gz PEGGGQLMLCSKOD-ZZXKWVIFSA-N 0 0 421.240 4.681 40 10 HJCBRN O=C1NC(=S)S/C1=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc21 ZINC000409339757 560710977 /nfs/dbraw/zinc/71/09/77/560710977.db2.gz XVOWQDRTLWOVJI-AUWJEWJLSA-N 0 0 417.874 4.703 40 10 HJCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc(Cl)c1O ZINC000409335413 560712348 /nfs/dbraw/zinc/71/23/48/560712348.db2.gz ZTBQBKAWWJABSA-YBEGLDIGSA-N 0 0 421.927 4.859 40 10 HJCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1 ZINC000409348103 560713246 /nfs/dbraw/zinc/71/32/46/560713246.db2.gz RCSISXLLYNTLIO-XNTDXEJSSA-N 0 0 406.326 4.864 40 10 HJCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1O ZINC000409345236 560714635 /nfs/dbraw/zinc/71/46/35/560714635.db2.gz KRTTXAOAAGCGLM-OVCLIPMQSA-N 0 0 409.891 4.989 40 10 HJCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1cccc(F)c1 ZINC000409392843 560719259 /nfs/dbraw/zinc/71/92/59/560719259.db2.gz NXINQMUFULEDGT-JJFYIABZSA-N 0 0 417.509 4.620 40 10 HJCBRN Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(C)cc1 ZINC000409399652 560720744 /nfs/dbraw/zinc/72/07/44/560720744.db2.gz LJLNFRFSJFIDOV-JLPGSUDCSA-N 0 0 421.500 4.768 40 10 HJCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(F)cc12 ZINC000103918546 560734716 /nfs/dbraw/zinc/73/47/16/560734716.db2.gz IWAKPEVLUNPSBZ-KQWNVCNZSA-N 0 0 404.489 4.916 40 10 HJCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 ZINC000006952786 560746981 /nfs/dbraw/zinc/74/69/81/560746981.db2.gz YLSNSJRRUMZAMK-PZROIBLQSA-N 0 0 401.806 4.992 40 10 HJCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCc3cccs3)C2=O)cc1 ZINC000112125639 560776714 /nfs/dbraw/zinc/77/67/14/560776714.db2.gz QKGZEVDSWKJYLE-PGMHBOJBSA-N 0 0 403.507 4.571 40 10 HJCBRN CC(NCCc1ccc(Cl)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000112288082 560778012 /nfs/dbraw/zinc/77/80/12/560778012.db2.gz KWMCADWCZXUXQX-UYRXBGFRSA-N 0 0 410.930 4.779 40 10 HJCBRN CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1 ZINC000103604793 560843613 /nfs/dbraw/zinc/84/36/13/560843613.db2.gz BXTISHSIQDHYHS-FNYLDBEHSA-N 0 0 406.511 4.660 40 10 HJCBRN Cc1ccc(CN2C(=O)N/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C)C2=O)cc1 ZINC000208441740 568445409 /nfs/dbraw/zinc/44/54/09/568445409.db2.gz WLLYPCWBQPTZNL-BKUYFWCQSA-N 0 0 401.510 4.720 40 10 HJCBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000218757559 568483332 /nfs/dbraw/zinc/48/33/32/568483332.db2.gz GGZAJRXUMAKNNO-CYFREDJKSA-N 0 0 410.558 4.966 40 10 HJCBRN C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219231329 568488088 /nfs/dbraw/zinc/48/80/88/568488088.db2.gz OFNNXPPQRJGZQO-WOJBJXKFSA-N 0 0 419.569 4.536 40 10 HJCBRN CCOc1cc(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222606802 568520367 /nfs/dbraw/zinc/52/03/67/568520367.db2.gz XKHXWAPNRHRMQO-KNXBSLHKSA-N 0 0 408.571 4.670 40 10 HJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccn4)c3C)N21 ZINC000222681747 568523613 /nfs/dbraw/zinc/52/36/13/568523613.db2.gz OVWLCDKNDGWDNV-VOQZNFBZSA-N 0 0 403.555 4.864 40 10 HJCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222747508 568525440 /nfs/dbraw/zinc/52/54/40/568525440.db2.gz DPFZOHIWACKVTF-FYYLOGMGSA-N 0 0 404.583 4.962 40 10 HJCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 ZINC000222831483 568527731 /nfs/dbraw/zinc/52/77/31/568527731.db2.gz ZMHNYJAJLNTLME-GOTSBHOMSA-N 0 0 420.582 4.879 40 10 HJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ncccc1C ZINC000222837894 568527975 /nfs/dbraw/zinc/52/79/75/568527975.db2.gz NGHKLLBLRWFRID-LEWJYISDSA-N 0 0 405.571 4.573 40 10 HJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000222876201 568529342 /nfs/dbraw/zinc/52/93/42/568529342.db2.gz CAYLWLCRNAUSKY-GOTSBHOMSA-N 0 0 420.582 4.880 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(O)cc1 ZINC000222921556 568531035 /nfs/dbraw/zinc/53/10/35/568531035.db2.gz JTCJCOPHYOZPEO-DHIUTWEWSA-N 0 0 420.582 4.823 40 10 HJCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000222972981 568532740 /nfs/dbraw/zinc/53/27/40/568532740.db2.gz NMZICGJSIYTZSE-FGZHOGPDSA-N 0 0 419.598 4.965 40 10 HJCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)n1-c1ccccc1 ZINC000223366348 568546672 /nfs/dbraw/zinc/54/66/72/568546672.db2.gz CYMUSDHMIHWTPU-DHIUTWEWSA-N 0 0 414.534 4.946 40 10 HJCBRN C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCc3ccc(N4CCCC4)cc3)cn2)C1 ZINC000223952831 568564301 /nfs/dbraw/zinc/56/43/01/568564301.db2.gz OGOZVSNBGMVGIK-OALUTQOASA-N 0 0 423.630 4.651 40 10 HJCBRN C[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225657228 568660649 /nfs/dbraw/zinc/66/06/49/568660649.db2.gz GGODFHQTHUSJGV-GOSISDBHSA-N 0 0 424.614 4.672 40 10 HJCBRN COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1C ZINC000225664618 568661628 /nfs/dbraw/zinc/66/16/28/568661628.db2.gz VSIKSVXKVJZPAH-QGZVFWFLSA-N 0 0 411.571 4.820 40 10 HJCBRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 ZINC000225695666 568665110 /nfs/dbraw/zinc/66/51/10/568665110.db2.gz FGGDTIICNZLDAG-CQSZACIVSA-N 0 0 417.962 4.774 40 10 HJCBRN COc1ccccc1-n1c(C)cc(CN(C)C(=O)c2ccc3[nH]c(Cl)nc3c2)c1C ZINC000225985709 568690162 /nfs/dbraw/zinc/69/01/62/568690162.db2.gz HBGLQCZHLATMBP-UHFFFAOYSA-N 0 0 422.916 4.905 40 10 HJCBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)o1 ZINC000033314307 568696605 /nfs/dbraw/zinc/69/66/05/568696605.db2.gz PUKOLCKRRALSSF-QGOAFFKASA-N 0 0 403.394 4.670 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(C)cc2)cc1 ZINC000059232584 568702994 /nfs/dbraw/zinc/70/29/94/568702994.db2.gz PDMMICPTNHXXDV-FYJGNVAPSA-N 0 0 412.445 4.567 40 10 HJCBRN CN(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000059418071 568705955 /nfs/dbraw/zinc/70/59/55/568705955.db2.gz 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ZINC000225670106 568662453 /nfs/dbraw/zinc/66/24/53/568662453.db2.gz FTWQYVICJBICGY-SJORKVTESA-N 0 0 411.571 4.757 40 10 HJCBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c2cccnc12 ZINC000225697337 568665555 /nfs/dbraw/zinc/66/55/55/568665555.db2.gz PBEXFWDGBLQJJH-INIZCTEOSA-N 0 0 406.555 4.891 40 10 HJCBRN C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1 ZINC000225813865 568676644 /nfs/dbraw/zinc/67/66/44/568676644.db2.gz JJVREANJIIGOCW-INIZCTEOSA-N 0 0 406.448 4.952 40 10 HJCBRN C[C@@H]1CCCN(c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000225814114 568676870 /nfs/dbraw/zinc/67/68/70/568676870.db2.gz AGPVFFLCORYQLB-MRXNPFEDSA-N 0 0 406.448 4.637 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000058884063 568700777 /nfs/dbraw/zinc/70/07/77/568700777.db2.gz PSWOYBUTTKFIBU-MOSHPQCFSA-N 0 0 406.438 4.595 40 10 HJCBRN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000059417983 568706000 /nfs/dbraw/zinc/70/60/00/568706000.db2.gz 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525327350 /nfs/dbraw/zinc/32/73/50/525327350.db2.gz UUEOXWCPHNIRAG-WOJBJXKFSA-N 0 0 402.542 4.659 40 10 HJCBRN Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000044854100 527450049 /nfs/dbraw/zinc/45/00/49/527450049.db2.gz YBQRZZCVLVKPIX-HXUWFJFHSA-N 0 0 416.569 4.967 40 10 HJCBRN COc1ccc(N2CCN(C(=S)c3ccccc3OCc3ccccc3)CC2)cc1 ZINC000009188027 536693217 /nfs/dbraw/zinc/69/32/17/536693217.db2.gz NNLAMGRFSCIHQO-UHFFFAOYSA-N 0 0 418.562 4.772 40 10 HJCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408532784 557315434 /nfs/dbraw/zinc/31/54/34/557315434.db2.gz VWGJJEPXBJZYPB-NVNXTCNLSA-N 0 0 409.891 4.556 40 10 HJCBRN CCOc1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(C)=C2C(=O)OC)cc1OC ZINC000408585421 557488925 /nfs/dbraw/zinc/48/89/25/557488925.db2.gz DFYHBEBUQYPVQY-MOSHPQCFSA-N 0 0 421.493 4.588 40 10 HJCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OC)cc1OC ZINC000408586723 557492912 /nfs/dbraw/zinc/49/29/12/557492912.db2.gz OZMFLCLGHYVBOR-MOSHPQCFSA-N 0 0 421.493 4.588 40 10 HJCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1Cl ZINC000005370771 557647422 /nfs/dbraw/zinc/64/74/22/557647422.db2.gz ISMDFZVTZHPTCI-NPDFUIFFSA-N 0 0 414.939 4.736 40 10 HJCBRN CCCCOC(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000005370977 557647582 /nfs/dbraw/zinc/64/75/82/557647582.db2.gz ZODVQTWMZYTMEU-BEQKSFQUSA-N 0 0 403.569 4.958 40 10 HJCBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000408707685 557733987 /nfs/dbraw/zinc/73/39/87/557733987.db2.gz LSRYSVOVUGFWDG-QGZVFWFLSA-N 0 0 407.901 4.739 40 10 HJCBRN O=C(c1ccccc1Br)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S ZINC000408718873 557758997 /nfs/dbraw/zinc/75/89/97/557758997.db2.gz AWZNBIPIXVPASF-NTEUORMPSA-N 0 0 422.300 4.630 40 10 HJCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(I)cc1 ZINC000408741736 557808637 /nfs/dbraw/zinc/80/86/37/557808637.db2.gz KWCTXWNIEMUREF-UKTHLTGXSA-N 0 0 408.622 4.926 40 10 HJCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(O)c1 ZINC000008820488 557810048 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COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408761111 559276078 /nfs/dbraw/zinc/27/60/78/559276078.db2.gz BYAXRYKGXVSNJG-PXLXIMEGSA-N 0 0 413.433 4.746 40 10 HJCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C2=N)S1 ZINC000033925656 560539882 /nfs/dbraw/zinc/53/98/82/560539882.db2.gz CBURGYGNPRAISE-OXMFYWCOSA-N 0 0 423.567 4.651 40 10 HJCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(Cl)cc1 ZINC000002361951 560584901 /nfs/dbraw/zinc/58/49/01/560584901.db2.gz KAQWQGGFUOJKTR-FOWTUZBSSA-N 0 0 402.928 4.570 40 10 HJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C2=N)S1 ZINC000034262607 560595767 /nfs/dbraw/zinc/59/57/67/560595767.db2.gz PBMSRPKZGWQRQP-OOYUFVOFSA-N 0 0 409.490 4.653 40 10 HJCBRN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2c2ccccc2)SC1=S ZINC000004891394 560615440 /nfs/dbraw/zinc/61/54/40/560615440.db2.gz DJXQCUSGDSBRGE-VLGSPTGOSA-N 0 0 400.550 4.988 40 10 HJCBRN CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000004976577 560622675 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HJCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1C ZINC000408924312 560654887 /nfs/dbraw/zinc/65/48/87/560654887.db2.gz MRTUGUZUBFMRLX-SXGWCWSVSA-N 0 0 405.928 4.725 40 10 HJCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000408945194 560656541 /nfs/dbraw/zinc/65/65/41/560656541.db2.gz WDGNAUCWPYNSFI-PXLXIMEGSA-N 0 0 414.436 4.847 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1sccc1C ZINC000409000528 560663774 /nfs/dbraw/zinc/66/37/74/560663774.db2.gz YOIUFVIEENOSNH-GDNBJRDFSA-N 0 0 418.312 4.696 40 10 HJCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000409011754 560665657 /nfs/dbraw/zinc/66/56/57/560665657.db2.gz HLSXDFCKYUEIGH-BKUYFWCQSA-N 0 0 406.526 4.792 40 10 HJCBRN CCc1ccc(/C=C2\C(=O)N(c3ccc(OC)c(Cl)c3)C(C)=C2C(=O)OC)cc1 ZINC000409055306 560671561 /nfs/dbraw/zinc/67/15/61/560671561.db2.gz DTVNURHFORXRTJ-PDGQHHTCSA-N 0 0 411.885 4.788 40 10 HJCBRN CN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC1=S ZINC000409133911 560682071 /nfs/dbraw/zinc/68/20/71/560682071.db2.gz UXZMHHYQGGXSOE-UNOMPAQXSA-N 0 0 412.511 4.690 40 10 HJCBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000409181641 560688491 /nfs/dbraw/zinc/68/84/91/560688491.db2.gz DMGZMUPHQGFOBA-VIZOYTHASA-N 0 0 424.862 4.802 40 10 HJCBRN CCCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409247336 560701791 /nfs/dbraw/zinc/70/17/91/560701791.db2.gz MXXYOLCOZOWGAE-DEDYPNTBSA-N 0 0 407.901 4.954 40 10 HJCBRN COc1cccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c1OC ZINC000409334284 560710769 /nfs/dbraw/zinc/71/07/69/560710769.db2.gz VOQZXXOXRNZHIW-MHWRWJLKSA-N 0 0 403.550 4.832 40 10 HJCBRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000007073130 560749677 /nfs/dbraw/zinc/74/96/77/560749677.db2.gz YFFZQGDHUTVSDS-MRXNPFEDSA-N 0 0 413.473 4.993 40 10 HJCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1SCc1ccccc1 ZINC000010113438 560764259 /nfs/dbraw/zinc/76/42/59/560764259.db2.gz NSSRNLCUGQDTBU-UHFFFAOYSA-N 0 0 418.562 4.746 40 10 HJCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCc2cccs2)cc1 ZINC000112125642 560776715 /nfs/dbraw/zinc/77/67/15/560776715.db2.gz APKOCTAUUKHTAU-PGMHBOJBSA-N 0 0 403.507 4.571 40 10 HJCBRN CCCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1 ZINC000017092378 560866921 /nfs/dbraw/zinc/86/69/21/560866921.db2.gz UIULDYPHFDHIFR-HKWRFOASSA-N 0 0 420.538 4.720 40 10 HJCBRN COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218741003 568483229 /nfs/dbraw/zinc/48/32/29/568483229.db2.gz XUHJFCWYHNDEQI-FQEVSTJZSA-N 0 0 410.558 4.968 40 10 HJCBRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 ZINC000222595766 568519780 /nfs/dbraw/zinc/51/97/80/568519780.db2.gz ULLNUJHLWSUSCZ-WQTXXOFMSA-N 0 0 408.571 4.670 40 10 HJCBRN COc1cc(N2CCCCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222595533 568519823 /nfs/dbraw/zinc/51/98/23/568519823.db2.gz AIKKHGIMPAMBMI-SSKFGXFMSA-N 0 0 408.571 4.670 40 10 HJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 ZINC000222637184 568521675 /nfs/dbraw/zinc/52/16/75/568521675.db2.gz GOEZXFDTPMHMQQ-KNXBSLHKSA-N 0 0 404.539 4.779 40 10 HJCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 ZINC000222637246 568521708 /nfs/dbraw/zinc/52/17/08/568521708.db2.gz GOEZXFDTPMHMQQ-USCONSEESA-N 0 0 404.539 4.779 40 10 HJCBRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000222655992 568522447 /nfs/dbraw/zinc/52/24/47/568522447.db2.gz LITNSXAZDJTJMX-IBGZPJMESA-N 0 0 416.587 4.588 40 10 HJCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000222788318 568526623 /nfs/dbraw/zinc/52/66/23/568526623.db2.gz ITFDTHLFYOBFNH-DHIUTWEWSA-N 0 0 419.598 4.548 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(C)cn1 ZINC000222928331 568531220 /nfs/dbraw/zinc/53/12/20/568531220.db2.gz KJXPEPVOKAHCTD-DHIUTWEWSA-N 0 0 419.598 4.821 40 10 HJCBRN CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223540648 568551254 /nfs/dbraw/zinc/55/12/54/568551254.db2.gz LOGAWBCRGIZQNP-XESZTULISA-N 0 0 403.526 4.892 40 10 HJCBRN COc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c2cccnc12 ZINC000225419570 568636165 /nfs/dbraw/zinc/63/61/65/568636165.db2.gz XWKLUBZBVFMKJX-UHFFFAOYSA-N 0 0 406.555 4.720 40 10 HJCBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC ZINC000225668364 568662283 /nfs/dbraw/zinc/66/22/83/568662283.db2.gz ANECCWLFBFIYRB-IAGOWNOFSA-N 0 0 413.587 4.988 40 10 HJCBRN Cc1cccc(N2C(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C(=O)[N-]C2=S)c1 ZINC000033498698 568697585 /nfs/dbraw/zinc/69/75/85/568697585.db2.gz VSYFSLHHFZQYFN-LDADJPATSA-N 0 0 423.513 4.714 40 10 HJCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000058883980 568700900 /nfs/dbraw/zinc/70/09/00/568700900.db2.gz PEVHPGMTGWRMAD-MFOYZWKCSA-N 0 0 418.276 4.879 40 10 HJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 ZINC000260759438 568737715 /nfs/dbraw/zinc/73/77/15/568737715.db2.gz GOEZXFDTPMHMQQ-URZJWIJPSA-N 0 0 404.539 4.779 40 10 HJCBRN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=N)S1 ZINC000013281099 569254784 /nfs/dbraw/zinc/25/47/84/569254784.db2.gz HSPPTZXDFNNKCU-HLLBZCHMSA-N 0 0 411.918 4.796 40 10 HJCBRN CCN(CCNC(=S)Nc1ccc(Br)cc1F)c1ccc(C)cc1 ZINC000225793646 521075127 /nfs/dbraw/zinc/07/51/27/521075127.db2.gz HSOBOJRSRGYYPY-UHFFFAOYSA-N 0 0 410.356 4.710 40 10 HJCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccccc1Br ZINC000408588909 557494950 /nfs/dbraw/zinc/49/49/50/557494950.db2.gz XCFGUISKMBCCAO-ATVHPVEESA-N 0 0 412.283 4.635 40 10 HJCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000005261401 557642404 /nfs/dbraw/zinc/64/24/04/557642404.db2.gz LGHGMBFUBFKTQK-XMHGGMMESA-N 0 0 410.564 4.883 40 10 HJCBRN CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000005370864 557647393 /nfs/dbraw/zinc/64/73/93/557647393.db2.gz KKQFPMUQILRWOI-IPZASCCDSA-N 0 0 414.596 4.625 40 10 HJCBRN COc1cc(Cl)cc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)c1O ZINC000006568845 557708461 /nfs/dbraw/zinc/70/84/61/557708461.db2.gz BYFVUDXZYNHPKB-NVNXTCNLSA-N 0 0 409.294 4.814 40 10 HJCBRN COc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 ZINC000035646525 557802817 /nfs/dbraw/zinc/80/28/17/557802817.db2.gz XTRRVBRECYHIDK-UNOMPAQXSA-N 0 0 421.434 4.946 40 10 HJCBRN COc1ccc(C2=C/C(=C\c3cc(Cl)cc(Cl)c3OC(C)=O)C(=O)O2)cc1 ZINC000408744644 557811511 /nfs/dbraw/zinc/81/15/11/557811511.db2.gz ZDDGURNBKLJSCM-VGOFMYFVSA-N 0 0 405.233 4.909 40 10 HJCBRN COc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)N(c2ccc(O)cc2)C1=O ZINC000408756891 557816314 /nfs/dbraw/zinc/81/63/14/557816314.db2.gz UZEWBXRPOHZLHR-XSFVSMFZSA-N 0 0 404.853 4.889 40 10 HJCBRN CC(NCCc1c[nH]c2ccccc12)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000009059745 557821141 /nfs/dbraw/zinc/82/11/41/557821141.db2.gz RKNTVNNKKZBTGT-KGENOOAVSA-N 0 0 415.522 4.606 40 10 HJCBRN CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OC ZINC000016692773 558800494 /nfs/dbraw/zinc/80/04/94/558800494.db2.gz GGOZZDBYJVRBHY-UNOMPAQXSA-N 0 0 415.536 4.504 40 10 HJCBRN Cc1cccc(C)c1OCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000033390934 559157425 /nfs/dbraw/zinc/15/74/25/559157425.db2.gz RZJLTNZPYSRULI-RGEXLXHISA-N 0 0 413.564 4.982 40 10 HJCBRN CCc1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 ZINC000033390832 559157429 /nfs/dbraw/zinc/15/74/29/559157429.db2.gz NRHSAIXJKKCQIC-HKWRFOASSA-N 0 0 413.564 4.928 40 10 HJCBRN Cc1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c1 ZINC000000929896 560557885 /nfs/dbraw/zinc/55/78/85/560557885.db2.gz KKGZTMOTNWJWQA-HXUWFJFHSA-N 0 0 407.539 4.768 40 10 HJCBRN COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408764713 560629610 /nfs/dbraw/zinc/62/96/10/560629610.db2.gz NAEMFTRKPFZYCP-XQNSMLJCSA-N 0 0 415.468 4.735 40 10 HJCBRN Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408764340 560629619 /nfs/dbraw/zinc/62/96/19/560629619.db2.gz TVKBTQKYAOBYKS-UDWIEESQSA-N 0 0 400.409 4.697 40 10 HJCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Sc2nc3ccccc3s2)o1 ZINC000408765766 560629734 /nfs/dbraw/zinc/62/97/34/560629734.db2.gz BKQHQDSWHJIYSG-UHFFFAOYSA-N 0 0 413.476 4.794 40 10 HJCBRN C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260504277 560635268 /nfs/dbraw/zinc/63/52/68/560635268.db2.gz GGIPJEVPABBAOE-OALUTQOASA-N 0 0 408.542 4.504 40 10 HJCBRN COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(F)cc1 ZINC000408841495 560646060 /nfs/dbraw/zinc/64/60/60/560646060.db2.gz HHZFCTYIKFSXKL-CJLVFECKSA-N 0 0 415.468 4.735 40 10 HJCBRN COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000408902192 560651338 /nfs/dbraw/zinc/65/13/38/560651338.db2.gz LPUQNWOJRKDTEW-RIYZIHGNSA-N 0 0 405.679 4.917 40 10 HJCBRN CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c1C ZINC000408967603 560659431 /nfs/dbraw/zinc/65/94/31/560659431.db2.gz RFDWPWGKYZSAGJ-HMAPJEAMSA-N 0 0 417.484 4.889 40 10 HJCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)N(C)C2=S)cc1 ZINC000409031063 560668286 /nfs/dbraw/zinc/66/82/86/560668286.db2.gz GFZICCZNZSHFDG-PGMHBOJBSA-N 0 0 409.555 4.536 40 10 HJCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409062391 560671935 /nfs/dbraw/zinc/67/19/35/560671935.db2.gz SXOMCPDPKDFNET-XKZIYDEJSA-N 0 0 406.526 4.731 40 10 HJCBRN CCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)NC1=S ZINC000409092090 560675411 /nfs/dbraw/zinc/67/54/11/560675411.db2.gz SWIUBQRTUOKDAO-MFOYZWKCSA-N 0 0 408.354 4.869 40 10 HJCBRN CCOc1cc(C)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1C(C)C ZINC000409135980 560682512 /nfs/dbraw/zinc/68/25/12/560682512.db2.gz WZYSNHLEAYNBDA-MOSHPQCFSA-N 0 0 408.523 4.917 40 10 HJCBRN COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O ZINC000409148088 560683721 /nfs/dbraw/zinc/68/37/21/560683721.db2.gz XCVQZXWGFJRJPW-DEDYPNTBSA-N 0 0 400.544 4.912 40 10 HJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000409157735 560685551 /nfs/dbraw/zinc/68/55/51/560685551.db2.gz WGNFDKIBHAFFRA-XSFVSMFZSA-N 0 0 423.538 4.516 40 10 HJCBRN CCN1c2ccccc2/C(=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O ZINC000409198368 560690852 /nfs/dbraw/zinc/69/08/52/560690852.db2.gz DXVLZZDAALOZCE-PXLXIMEGSA-N 0 0 400.478 4.788 40 10 HJCBRN O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409342403 560711648 /nfs/dbraw/zinc/71/16/48/560711648.db2.gz DMWVHGRRWNJQOW-VGOFMYFVSA-N 0 0 421.843 4.562 40 10 HJCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Br)cc1 ZINC000409338774 560712658 /nfs/dbraw/zinc/71/26/58/560712658.db2.gz ASFVWPFYVFGFIR-NTEUORMPSA-N 0 0 421.297 4.763 40 10 HJCBRN COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409346486 560712894 /nfs/dbraw/zinc/71/28/94/560712894.db2.gz KZYAXTMGAVTJHF-YBEGLDIGSA-N 0 0 405.928 4.759 40 10 HJCBRN CN(C)c1ccc(C=C2SC(Nc3ccc(Br)cc3)=NC2=O)cc1 ZINC000006871466 560747632 /nfs/dbraw/zinc/74/76/32/560747632.db2.gz PJWVXCGRQHXSDT-LFIBNONCSA-N 0 0 402.317 4.598 40 10 HJCBRN CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260578996 560870522 /nfs/dbraw/zinc/87/05/22/560870522.db2.gz ZDCPZWKXUVZTAL-JQVVWYNYSA-N 0 0 410.558 4.966 40 10 HJCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000020705800 568457929 /nfs/dbraw/zinc/45/79/29/568457929.db2.gz YLSNSJRRUMZAMK-SOZUMNATSA-N 0 0 401.806 4.992 40 10 HJCBRN C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219204056 568487866 /nfs/dbraw/zinc/48/78/66/568487866.db2.gz GWNKDJOGTOUAIJ-IBGZPJMESA-N 0 0 405.542 4.541 40 10 HJCBRN CCOc1cc(N2CCCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222606869 568520394 /nfs/dbraw/zinc/52/03/94/568520394.db2.gz XKHXWAPNRHRMQO-USCONSEESA-N 0 0 408.571 4.670 40 10 HJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(O)cc1 ZINC000222616195 568520847 /nfs/dbraw/zinc/52/08/47/568520847.db2.gz LWNHALJQTXGXPR-UZQPLGKSSA-N 0 0 404.539 4.784 40 10 HJCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222747637 568525469 /nfs/dbraw/zinc/52/54/69/568525469.db2.gz DPFZOHIWACKVTF-JTHBVZDNSA-N 0 0 404.583 4.962 40 10 HJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000222876444 568529306 /nfs/dbraw/zinc/52/93/06/568529306.db2.gz RAURRQBVQSPIAM-GOTSBHOMSA-N 0 0 420.582 4.880 40 10 HJCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000222988269 568533358 /nfs/dbraw/zinc/53/33/58/568533358.db2.gz GRZMJXVVOOOQPW-GOTSBHOMSA-N 0 0 420.582 4.962 40 10 HJCBRN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000223865257 568561344 /nfs/dbraw/zinc/56/13/44/568561344.db2.gz VBAMVBHJHFYKHS-UXHICEINSA-N 0 0 406.570 4.885 40 10 HJCBRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000224784832 568596874 /nfs/dbraw/zinc/59/68/74/568596874.db2.gz GHUQLRHDYDABNL-IBGZPJMESA-N 0 0 416.587 4.588 40 10 HJCBRN Cc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1N1CCCC1=O ZINC000225418471 568636054 /nfs/dbraw/zinc/63/60/54/568636054.db2.gz QJTREILKZRQOKA-UHFFFAOYSA-N 0 0 422.598 4.599 40 10 HJCBRN Fc1cc(Br)ccc1NC(=S)NCc1ccc(N2CCCC2)cc1 ZINC000225424517 568636922 /nfs/dbraw/zinc/63/69/22/568636922.db2.gz KMKCYVFHNFZOFZ-UHFFFAOYSA-N 0 0 408.340 4.675 40 10 HJCBRN CCN(CCCNC(=S)Nc1cccc(Br)c1)c1ccc(C)cc1 ZINC000225732925 568669039 /nfs/dbraw/zinc/66/90/39/568669039.db2.gz QTAFBHNPNBRPRD-UHFFFAOYSA-N 0 0 406.393 4.961 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2Br)cc1 ZINC000059229929 568702998 /nfs/dbraw/zinc/70/29/98/568702998.db2.gz TWWLXHPXUMWTDL-CPNJWEJPSA-N 0 0 423.266 4.885 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000059959257 568709548 /nfs/dbraw/zinc/70/95/48/568709548.db2.gz OZVSWHFOGMKYFL-UYRXBGFRSA-N 0 0 406.438 4.595 40 10 HJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ncccc1C ZINC000260778224 568738827 /nfs/dbraw/zinc/73/88/27/568738827.db2.gz RLBWTCVAASVFEX-TYCQWZJGSA-N 0 0 403.555 4.782 40 10 HJCBRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260790480 568739184 /nfs/dbraw/zinc/73/91/84/568739184.db2.gz FBUJKPIXJLNKRT-PMACEKPBSA-N 0 0 406.570 4.885 40 10 HJCBRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C ZINC000260798410 568739625 /nfs/dbraw/zinc/73/96/25/568739625.db2.gz SRSLOWNXTGSDIN-QFBILLFUSA-N 0 0 416.587 4.588 40 10 HJCBRN Cc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C)C1=O ZINC000026608460 569043425 /nfs/dbraw/zinc/04/34/25/569043425.db2.gz ODWWDAMFAVXERS-PDGQHHTCSA-N 0 0 419.955 4.937 40 10 HJCBRN O=C1/C(=C/c2ccc3nccnc3c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000054361148 569072392 /nfs/dbraw/zinc/07/23/92/569072392.db2.gz WSLIDOPCKUAWOT-PXNMLYILSA-N 0 0 401.875 4.828 40 10 HJCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cccc(C)c2)C1=O ZINC000001263831 569320398 /nfs/dbraw/zinc/32/03/98/569320398.db2.gz RBRRQUSMDRNUMX-HANPTPSWSA-N 0 0 408.548 4.781 40 10 HJCBRN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1Sc1ccc(Cl)cc1 ZINC000033742251 569360543 /nfs/dbraw/zinc/36/05/43/569360543.db2.gz AIBQWUGMCWZEPN-RGEXLXHISA-N 0 0 406.894 4.953 40 10 HJCBRN Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000044854998 569360933 /nfs/dbraw/zinc/36/09/33/569360933.db2.gz LHAXKPBVEKCKCT-PMACEKPBSA-N 0 0 416.569 4.967 40 10 HJCBRN CCOc1ccc2c(c1)c(C(=O)NCc1ccc(N3CCCCC3)cc1)c(C)n2C ZINC000141582456 569361398 /nfs/dbraw/zinc/36/13/98/569361398.db2.gz ZABWWAAMDILIKI-UHFFFAOYSA-N 0 0 405.542 4.806 40 10 HJCBRN COc1ccc(NC(=S)NCc2cc3c4c(c2)CCCN4CCC3)cc1Cl ZINC000004622967 132280373 /nfs/dbraw/zinc/28/03/73/132280373.db2.gz YNBFRFZVMANMRP-UHFFFAOYSA-N 0 0 401.963 4.534 40 10 HJCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCCCCC1 ZINC000005370905 557647383 /nfs/dbraw/zinc/64/73/83/557647383.db2.gz ZIIRBBRIZXHSQK-SCFVIABFSA-N 0 0 414.596 4.627 40 10 HJCBRN Cc1cccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1 ZINC000005370834 557647409 /nfs/dbraw/zinc/64/74/09/557647409.db2.gz ORTRTMZCBBNWBR-RQYXHQRCSA-N 0 0 408.548 4.781 40 10 HJCBRN CCCCc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 ZINC000005552108 557661201 /nfs/dbraw/zinc/66/12/01/557661201.db2.gz MKUKURWZVGHLNL-ZCXUNETKSA-N 0 0 412.511 4.896 40 10 HJCBRN COc1c(Br)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000408743704 557810990 /nfs/dbraw/zinc/81/09/90/557810990.db2.gz UMAWBLFUJNWEDK-VGOFMYFVSA-N 0 0 416.227 4.656 40 10 HJCBRN CCOc1ccc(C2=C/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000408753646 557815502 /nfs/dbraw/zinc/81/55/02/557815502.db2.gz BJQWJQLZOZHBTL-GHRIWEEISA-N 0 0 402.406 4.766 40 10 HJCBRN COc1ccc(N2N=C(C)/C(=C\c3c(C)nn(-c4ccc(C)cc4C)c3C)C2=O)cc1 ZINC000408755304 557817315 /nfs/dbraw/zinc/81/73/15/557817315.db2.gz DFDSAOGVAZHATI-UCQKPKSFSA-N 0 0 414.509 4.921 40 10 HJCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)SC2=S)cc1 ZINC000009188793 557826408 /nfs/dbraw/zinc/82/64/08/557826408.db2.gz RYOKTUSKMNDFAN-ODLFYWEKSA-N 0 0 415.536 4.681 40 10 HJCBRN O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000009189331 557826635 /nfs/dbraw/zinc/82/66/35/557826635.db2.gz ZIHJRTRGRRPMOU-KYYPIKSYSA-N 0 0 411.548 4.646 40 10 HJCBRN COc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000033399951 558768237 /nfs/dbraw/zinc/76/82/37/558768237.db2.gz ZKQGMVCONVFGQT-YBEGLDIGSA-N 0 0 420.353 4.859 40 10 HJCBRN COc1ccc(/C=C2/SC(=S)N(CNc3cccc(C)c3C)C2=O)cc1OC ZINC000016362127 558787947 /nfs/dbraw/zinc/78/79/47/558787947.db2.gz HLTRUHGXOGFGTP-YBFXNURJSA-N 0 0 414.552 4.591 40 10 HJCBRN COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1OC ZINC000016676506 558798806 /nfs/dbraw/zinc/79/88/06/558798806.db2.gz ZXQWJJBCMJHXSW-HTMJNSLASA-N 0 0 415.536 4.675 40 10 HJCBRN O=C1C=CC(=NNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2cccnc21 ZINC000104090586 559157859 /nfs/dbraw/zinc/15/78/59/559157859.db2.gz IQEOBFBZYOOSSI-DQRAZIAOSA-N 0 0 411.468 4.613 40 10 HJCBRN CCCCN(CCO)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000105023926 559161977 /nfs/dbraw/zinc/16/19/77/559161977.db2.gz JLQINWDDQUELHA-MRCUWXFGSA-N 0 0 401.423 4.826 40 10 HJCBRN CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408759147 559272658 /nfs/dbraw/zinc/27/26/58/559272658.db2.gz YRIQSLRBTYHISC-XQNSMLJCSA-N 0 0 414.461 4.634 40 10 HJCBRN Cc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000408760377 559276017 /nfs/dbraw/zinc/27/60/17/559276017.db2.gz XPEOKVHYHMUWTN-KGENOOAVSA-N 0 0 401.397 4.877 40 10 HJCBRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466351 559288868 /nfs/dbraw/zinc/28/88/68/559288868.db2.gz RFNZLCJXMVFQAW-GJZGRUSLSA-N 0 0 401.894 4.976 40 10 HJCBRN CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1 ZINC000033917043 559292668 /nfs/dbraw/zinc/29/26/68/559292668.db2.gz JLZMPIWFWCMBIU-JMCWYTMQSA-N 0 0 423.567 4.596 40 10 HJCBRN Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccccc1Br ZINC000000924794 560556729 /nfs/dbraw/zinc/55/67/29/560556729.db2.gz FHRASFRROXGDJA-UHFFFAOYSA-N 0 0 420.307 4.720 40 10 HJCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408762831 560629052 /nfs/dbraw/zinc/62/90/52/560629052.db2.gz MLIPURWPYNSLGR-JAIQZWGSSA-N 0 0 405.910 4.518 40 10 HJCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2OC)cc1 ZINC000408843259 560646726 /nfs/dbraw/zinc/64/67/26/560646726.db2.gz RFAWARLEMFCPSE-HMMYKYKNSA-N 0 0 404.491 4.990 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000408893823 560650374 /nfs/dbraw/zinc/65/03/74/560650374.db2.gz NKURGUFZMSIPIT-PDGQHHTCSA-N 0 0 412.829 4.516 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1OCC ZINC000408997184 560662897 /nfs/dbraw/zinc/66/28/97/560662897.db2.gz LQHGWRHKWQXXJD-QNGOZBTKSA-N 0 0 405.494 4.969 40 10 HJCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1OC ZINC000409016014 560666475 /nfs/dbraw/zinc/66/64/75/560666475.db2.gz AKOKQWCMTBPJIH-BOPFTXTBSA-N 0 0 417.383 4.591 40 10 HJCBRN CC(C)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 ZINC000409134773 560682208 /nfs/dbraw/zinc/68/22/08/560682208.db2.gz PUNFJFHJJCITKZ-DZGUVLCISA-N 0 0 400.569 4.678 40 10 HJCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1)c1ccccc1 ZINC000409146385 560684663 /nfs/dbraw/zinc/68/46/63/560684663.db2.gz SODRDBAQKQBCAB-QNGOZBTKSA-N 0 0 414.486 4.666 40 10 HJCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC(C)=O ZINC000409330316 560710236 /nfs/dbraw/zinc/71/02/36/560710236.db2.gz KQWMOMRWDQDHRA-UNOMPAQXSA-N 0 0 413.520 4.725 40 10 HJCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1O ZINC000409334977 560712343 /nfs/dbraw/zinc/71/23/43/560712343.db2.gz YKVZFIBAMUDSJS-OQLLNIDSSA-N 0 0 409.891 4.989 40 10 HJCBRN Cc1c(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1C ZINC000409348133 560713229 /nfs/dbraw/zinc/71/32/29/560713229.db2.gz RORLKTOYVYMPCB-WOJGMQOQSA-N 0 0 409.492 4.801 40 10 HJCBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409349464 560713450 /nfs/dbraw/zinc/71/34/50/560713450.db2.gz QGRFGCCNMLXNAD-XTBHVRTMSA-N 0 0 413.520 4.998 40 10 HJCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1ccc(Cl)cc1 ZINC000103917858 560734998 /nfs/dbraw/zinc/73/49/98/560734998.db2.gz QDWACGCXYNDJAH-ZHZULCJRSA-N 0 0 412.877 4.815 40 10 HJCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1ccccc1Cl ZINC000103917879 560735012 /nfs/dbraw/zinc/73/50/12/560735012.db2.gz SGABBRSZVSVENO-ZHZULCJRSA-N 0 0 412.877 4.815 40 10 HJCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000006952794 560747035 /nfs/dbraw/zinc/74/70/35/560747035.db2.gz CVAFPBDCYCBMGV-OAVHHTNSSA-N 0 0 401.806 4.992 40 10 HJCBRN CC(NC1CCCCCC1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000017091447 560866258 /nfs/dbraw/zinc/86/62/58/560866258.db2.gz WXYMSIHUZYORNF-XLNRJJMWSA-N 0 0 418.497 4.932 40 10 HJCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccc(F)cc3)C1=O)C(C)=CC(C)(C)N2C ZINC000208459568 568445703 /nfs/dbraw/zinc/44/57/03/568445703.db2.gz IHXJLUAOMOTLKB-MTJSOVHGSA-N 0 0 419.500 4.859 40 10 HJCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000020704114 568457881 /nfs/dbraw/zinc/45/78/81/568457881.db2.gz CVAFPBDCYCBMGV-SEDUGSJDSA-N 0 0 401.806 4.992 40 10 HJCBRN Cc1cc(CN(C)C(=O)c2ccc3nc(Cl)n(C)c3c2)c(C)n1-c1ccccc1 ZINC000222563475 568518521 /nfs/dbraw/zinc/51/85/21/568518521.db2.gz FKOFRAGHKGUAOM-UHFFFAOYSA-N 0 0 406.917 4.906 40 10 HJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3OC)N21 ZINC000222677257 568523316 /nfs/dbraw/zinc/52/33/16/568523316.db2.gz JGJQYFASUVSPRI-URZJWIJPSA-N 0 0 408.571 4.670 40 10 HJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1O ZINC000222830973 568527716 /nfs/dbraw/zinc/52/77/16/568527716.db2.gz WZVBTTXSDJRTDR-VXKWHMMOSA-N 0 0 406.555 4.576 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000222882980 568529546 /nfs/dbraw/zinc/52/95/46/568529546.db2.gz GRGKACBDNWXZPM-FGZHOGPDSA-N 0 0 405.571 4.575 40 10 HJCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000222966216 568532528 /nfs/dbraw/zinc/53/25/28/568532528.db2.gz XLAXQUHDFJLMBR-DHIUTWEWSA-N 0 0 420.582 4.967 40 10 HJCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000222973080 568532735 /nfs/dbraw/zinc/53/27/35/568532735.db2.gz VOFXEWITYYVDCP-GOTSBHOMSA-N 0 0 419.598 4.965 40 10 HJCBRN COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1C(C)C ZINC000223289836 568544257 /nfs/dbraw/zinc/54/42/57/568544257.db2.gz PUMSXMXGFMGCOU-UHFFFAOYSA-N 0 0 416.587 4.596 40 10 HJCBRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000225420300 568636240 /nfs/dbraw/zinc/63/62/40/568636240.db2.gz MCUMTZRAGQQQFJ-APWZRJJASA-N 0 0 416.587 4.588 40 10 HJCBRN COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225656084 568660520 /nfs/dbraw/zinc/66/05/20/568660520.db2.gz VUQKVDUCLRIICJ-KRWDZBQOSA-N 0 0 411.571 4.757 40 10 HJCBRN C[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000225666261 568662103 /nfs/dbraw/zinc/66/21/03/568662103.db2.gz XOXCZLCXWNRZMO-GOSISDBHSA-N 0 0 422.598 4.851 40 10 HJCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)o1 ZINC000033340957 568696643 /nfs/dbraw/zinc/69/66/43/568696643.db2.gz KMTQYMRMRPBEES-CPNJWEJPSA-N 0 0 403.394 4.670 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(O)c1 ZINC000059435737 568704076 /nfs/dbraw/zinc/70/40/76/568704076.db2.gz UQFCISCMLCLTRQ-DHDCSXOGSA-N 0 0 404.249 4.576 40 10 HJCBRN COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260735152 568736918 /nfs/dbraw/zinc/73/69/18/568736918.db2.gz FTWQYVICJBICGY-DLBZAZTESA-N 0 0 411.571 4.757 40 10 HJCBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC ZINC000260732724 568736930 /nfs/dbraw/zinc/73/69/30/568736930.db2.gz ANECCWLFBFIYRB-DLBZAZTESA-N 0 0 413.587 4.988 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(C)cn1 ZINC000260755990 568737495 /nfs/dbraw/zinc/73/74/95/568737495.db2.gz CRGHJMMWLMDKPV-NPFVIJTESA-N 0 0 403.555 4.782 40 10 HJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)cc(Br)c3O)N21 ZINC000260759345 568737684 /nfs/dbraw/zinc/73/76/84/568737684.db2.gz GESRDXAFRDZOQC-JLZZUVOBSA-N 0 0 418.360 4.838 40 10 HJCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(OCC)cc3)C2=N)S1 ZINC000013280967 569254652 /nfs/dbraw/zinc/25/46/52/569254652.db2.gz RGVWJBYVUDXWMZ-QVRVXCEOSA-N 0 0 421.526 4.685 40 10 HJCBRN COc1cc(Cl)c(C[C@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1OC ZINC000008106906 569339606 /nfs/dbraw/zinc/33/96/06/569339606.db2.gz RLHJTMQEMLHNRY-QGZVFWFLSA-N 0 0 413.992 4.709 40 10 HJCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000033766741 569360442 /nfs/dbraw/zinc/36/04/42/569360442.db2.gz DWISVLNGZOPCCH-KQWNVCNZSA-N 0 0 407.473 4.709 40 10 HJCBRN O=C(NN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)c1ccc(Cl)cc1 ZINC000206726788 569361495 /nfs/dbraw/zinc/36/14/95/569361495.db2.gz ZLJGXNQYJVRLPI-NTEUORMPSA-N 0 0 409.319 4.540 40 10 HJCBRN COc1cc(N2N=C(C)C(=CNc3ccccc3Br)C2=O)ccc1Cl ZINC000408539774 557359709 /nfs/dbraw/zinc/35/97/09/557359709.db2.gz YVERETAVCURWBQ-RAXLEYEMSA-N 0 0 420.694 4.830 40 10 HJCBRN Cc1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000003178507 557453771 /nfs/dbraw/zinc/45/37/71/557453771.db2.gz XAGBUXHWUNKKOH-DEOSSOPVSA-N 0 0 404.535 4.826 40 10 HJCBRN COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)ccc1OC(=O)c1ccco1 ZINC000035202660 557561651 /nfs/dbraw/zinc/56/16/51/557561651.db2.gz IBJBNIDBFOQETC-CPNJWEJPSA-N 0 0 420.446 4.590 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)c(OC)c1 ZINC000005371536 557647785 /nfs/dbraw/zinc/64/77/85/557647785.db2.gz UKRUBZPUXPEYLV-GRSHGNNSSA-N 0 0 410.520 4.601 40 10 HJCBRN CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)SC1=S ZINC000005374772 557648670 /nfs/dbraw/zinc/64/86/70/557648670.db2.gz RUNIREODMSZWIL-OVCLIPMQSA-N 0 0 406.891 4.562 40 10 HJCBRN CC1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 ZINC000005409321 557651914 /nfs/dbraw/zinc/65/19/14/557651914.db2.gz YGFZIXZAFYYZPL-LGMDPLHJSA-N 0 0 423.003 4.580 40 10 HJCBRN CCOC(=O)c1cccc2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408736150 557802522 /nfs/dbraw/zinc/80/25/22/557802522.db2.gz INTNRJSYMIQPCK-XFQAVAEZSA-N 0 0 409.482 4.716 40 10 HJCBRN COc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2cccc(OC)c2O)cc1 ZINC000009260825 557833219 /nfs/dbraw/zinc/83/32/19/557833219.db2.gz VYJRSILRCYOLBJ-JOCHJYFZSA-N 0 0 416.477 4.709 40 10 HJCBRN Cc1ccc(Cl)cc1NCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000016347718 558787346 /nfs/dbraw/zinc/78/73/46/558787346.db2.gz XNTYFIQFMDLQEY-REZTVBANSA-N 0 0 418.927 4.648 40 10 HJCBRN Cc1ccc(C(=O)c2ccccc2)c(NC=Cc2nnnn2-c2ccc(Cl)cc2)c1 ZINC000100662144 559137507 /nfs/dbraw/zinc/13/75/07/559137507.db2.gz DLQWKUSEKBGXGG-YPKPFQOOSA-N 0 0 415.884 4.938 40 10 HJCBRN CCc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)cc1 ZINC000033391795 559158054 /nfs/dbraw/zinc/15/80/54/559158054.db2.gz SBZBCVGSTRDXTD-HKWRFOASSA-N 0 0 413.564 4.928 40 10 HJCBRN COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408758969 559271443 /nfs/dbraw/zinc/27/14/43/559271443.db2.gz VTFZOECSSOMAFQ-JJIBRWJFSA-N 0 0 411.505 4.904 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(F)cc2)cc1 ZINC000408759802 559275773 /nfs/dbraw/zinc/27/57/73/559275773.db2.gz LXSGTUKDPCKFQO-XQNSMLJCSA-N 0 0 415.468 4.735 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408759929 559275902 /nfs/dbraw/zinc/27/59/02/559275902.db2.gz OIJZLDYIZNYFBI-XSFVSMFZSA-N 0 0 402.425 4.677 40 10 HJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408761360 559276140 /nfs/dbraw/zinc/27/61/40/559276140.db2.gz IWLUQBHTPMLBGG-XQNSMLJCSA-N 0 0 410.473 4.925 40 10 HJCBRN CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000004976578 560622694 /nfs/dbraw/zinc/62/26/94/560622694.db2.gz VKYUANZNBXOVFO-DSDLTIFZSA-N 0 0 408.614 4.521 40 10 HJCBRN COc1cccc2c(C=C3C(=O)OC4(CCCC4)OC3=O)c(-c3ccccc3)[nH]c21 ZINC000408768448 560638871 /nfs/dbraw/zinc/63/88/71/560638871.db2.gz JFONKPUULKHBLW-UHFFFAOYSA-N 0 0 403.434 4.597 40 10 HJCBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408818461 560644783 /nfs/dbraw/zinc/64/47/83/560644783.db2.gz YAQLYAJLVKJBOL-SXGWCWSVSA-N 0 0 405.317 4.831 40 10 HJCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408893978 560650389 /nfs/dbraw/zinc/65/03/89/560650389.db2.gz PKTWQBWTMLIZJZ-GRVPHDJPSA-N 0 0 413.473 4.979 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000408892207 560650962 /nfs/dbraw/zinc/65/09/62/560650962.db2.gz HGLITHSBWFSVAL-PDGQHHTCSA-N 0 0 412.283 4.635 40 10 HJCBRN COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O ZINC000409141370 560683460 /nfs/dbraw/zinc/68/34/60/560683460.db2.gz IKDJXXCCXWWYQB-CJLVFECKSA-N 0 0 422.550 4.965 40 10 HJCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c(Cl)c1 ZINC000409149802 560683933 /nfs/dbraw/zinc/68/39/33/560683933.db2.gz RFRMTIKGMVVAQO-OQLLNIDSSA-N 0 0 423.346 4.848 40 10 HJCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1O ZINC000409341927 560711469 /nfs/dbraw/zinc/71/14/69/560711469.db2.gz CINCNSKHWHGODS-LICLKQGHSA-N 0 0 403.550 4.919 40 10 HJCBRN CCCOc1ccc(/C=C2/SC(=S)N(CCC)C2=O)cc1Br ZINC000409350299 560713720 /nfs/dbraw/zinc/71/37/20/560713720.db2.gz XVQOVLXUSSAQEB-GXDHUFHOSA-N 0 0 400.363 4.849 40 10 HJCBRN CCOc1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)SC2=S)cc1 ZINC000409383337 560717483 /nfs/dbraw/zinc/71/74/83/560717483.db2.gz UKUXCIQEDADJTF-WQRHYEAKSA-N 0 0 409.488 4.598 40 10 HJCBRN CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c1C ZINC000103604789 560843594 /nfs/dbraw/zinc/84/35/94/560843594.db2.gz LJVXMFZXXBQDFT-BPHBXOPHSA-N 0 0 406.511 4.660 40 10 HJCBRN COc1ccccc1C(=O)NCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000021335863 568463118 /nfs/dbraw/zinc/46/31/18/568463118.db2.gz PPWBRASXHQHPTE-CYYJNZCTSA-N 0 0 402.454 4.869 40 10 HJCBRN C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219214620 568488012 /nfs/dbraw/zinc/48/80/12/568488012.db2.gz MKUZKCDLPZANBH-LJQANCHMSA-N 0 0 405.542 4.541 40 10 HJCBRN C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219231239 568488122 /nfs/dbraw/zinc/48/81/22/568488122.db2.gz GCAHVZJCUKWZIK-FQEVSTJZSA-N 0 0 419.569 4.536 40 10 HJCBRN CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219564869 568495444 /nfs/dbraw/zinc/49/54/44/568495444.db2.gz AZHXSXMNRYBSOY-DENIHFKCSA-N 0 0 410.558 4.966 40 10 HJCBRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000219683204 568497056 /nfs/dbraw/zinc/49/70/56/568497056.db2.gz OGEMXXSMQYWUTR-INIZCTEOSA-N 0 0 417.347 4.523 40 10 HJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cc(C)ccn1 ZINC000222620705 568521057 /nfs/dbraw/zinc/52/10/57/568521057.db2.gz IQXRNQKYNDXZHK-KNXBSLHKSA-N 0 0 403.555 4.782 40 10 HJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(C)ccn1 ZINC000222837613 568527869 /nfs/dbraw/zinc/52/78/69/568527869.db2.gz UYXIRQGGTQRJOQ-FCHUYYIVSA-N 0 0 405.571 4.573 40 10 HJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ncccc1C ZINC000222837967 568527984 /nfs/dbraw/zinc/52/79/84/568527984.db2.gz NGHKLLBLRWFRID-SFTDATJTSA-N 0 0 405.571 4.573 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000222899617 568530030 /nfs/dbraw/zinc/53/00/30/568530030.db2.gz ZQGGSRYQCZATOW-FGZHOGPDSA-N 0 0 406.555 4.572 40 10 HJCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)n1-c1ccccc1 ZINC000223366497 568546677 /nfs/dbraw/zinc/54/66/77/568546677.db2.gz CYMUSDHMIHWTPU-GOTSBHOMSA-N 0 0 414.534 4.946 40 10 HJCBRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000223645537 568554691 /nfs/dbraw/zinc/55/46/91/568554691.db2.gz SRSLOWNXTGSDIN-VQIMIIECSA-N 0 0 416.587 4.588 40 10 HJCBRN c1ccc2c(c1)c(N1CCOCC1)cc1c2O[C@H]2CCCC[C@]2(N2CCCCC2)O1 ZINC000020528597 568625689 /nfs/dbraw/zinc/62/56/89/568625689.db2.gz NYEAMANZCHMFME-ZCYQVOJMSA-N 0 0 408.542 4.572 40 10 HJCBRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1C ZINC000225584851 568654459 /nfs/dbraw/zinc/65/44/59/568654459.db2.gz WGDKZHRLAFKSKQ-APWZRJJASA-N 0 0 416.587 4.588 40 10 HJCBRN CCN1C(=O)C(=Cc2ccc(-c3ccc(Br)c(C)c3)o2)C(=O)NC1=S ZINC000059087101 568700337 /nfs/dbraw/zinc/70/03/37/568700337.db2.gz XLKBDZSLMHRKKH-UKTHLTGXSA-N 0 0 419.300 4.504 40 10 HJCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000058883821 568700816 /nfs/dbraw/zinc/70/08/16/568700816.db2.gz NWLNDAXAFYIDSO-YVLHZVERSA-N 0 0 402.277 4.866 40 10 HJCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)ccc1O ZINC000059959254 568709560 /nfs/dbraw/zinc/70/95/60/568709560.db2.gz KTDJQOVTGLABGL-MOSHPQCFSA-N 0 0 421.493 4.792 40 10 HJCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000059959225 568709647 /nfs/dbraw/zinc/70/96/47/568709647.db2.gz CIEYPSILWNHGQG-YBEGLDIGSA-N 0 0 418.276 4.879 40 10 HJCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cccc(F)c2)C1=O ZINC000016712722 569046463 /nfs/dbraw/zinc/04/64/63/569046463.db2.gz QZELQONPHJUPKH-RZTVDGLLSA-N 0 0 412.511 4.612 40 10 HJCBRN CC(C)n1cnc2c1nc(Cl)nc2N(Cc1ccccc1O)Cc1ccccc1O ZINC000022054481 569282992 /nfs/dbraw/zinc/28/29/92/569282992.db2.gz VQPSNEQQJJUAQM-UHFFFAOYSA-N 0 0 423.904 4.679 40 10 in-vitro HJCBRN O=C1N=C(N2CC[C@@H](c3ccccc3)C2)S/C1=C\c1ccc(Br)cc1 ZINC000000651748 569320268 /nfs/dbraw/zinc/32/02/68/569320268.db2.gz GVAAQBMVBDQQQO-UWCCDQBKSA-N 0 0 413.340 4.909 40 10 HJCBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1C ZINC000000882972 569321918 /nfs/dbraw/zinc/32/19/18/569321918.db2.gz CVAJYSYNSJTLLJ-UHFFFAOYSA-N 0 0 406.467 4.739 40 10 HJCBRN CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3NN=C(c4ccccc4)S3)c2C)cc1 ZINC000006630646 569334128 /nfs/dbraw/zinc/33/41/28/569334128.db2.gz QJLIVHZFUGWOLA-JOCHJYFZSA-N 0 0 405.523 4.968 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000039132421 569360745 /nfs/dbraw/zinc/36/07/45/569360745.db2.gz VVNLBMPLUNHYPM-CJLVFECKSA-N 0 0 414.461 4.547 40 10 HJCBRN CCc1cccc(C)c1-n1cccc1/C=C1/C(=N)N2N=C(C(C)C)SC2=NC1=O ZINC000041083193 524062018 /nfs/dbraw/zinc/06/20/18/524062018.db2.gz VEYUEWIOLGRKHS-ZTHFNACSSA-N 0 0 405.527 4.623 40 10 HJCBRN CCCCCCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OCC ZINC000408540405 557368664 /nfs/dbraw/zinc/36/86/64/557368664.db2.gz RHUWEKHNKCVAKA-SFQUDFHCSA-N 0 0 424.950 4.804 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000408583993 557483567 /nfs/dbraw/zinc/48/35/67/557483567.db2.gz LCCBWCRDDJMHRC-MOSHPQCFSA-N 0 0 406.438 4.595 40 10 HJCBRN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CNc1ccc([N+](=O)[O-])cc1 ZINC000003843291 557500090 /nfs/dbraw/zinc/50/00/90/557500090.db2.gz AYOGDHXPEDKTAH-DHDCSXOGSA-N 0 0 405.888 4.519 40 10 HJCBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccs1 ZINC000408623163 557549659 /nfs/dbraw/zinc/54/96/59/557549659.db2.gz RBWLRYWQROQZFS-UHFFFAOYSA-N 0 0 400.912 4.759 40 10 HJCBRN CCCCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000004774777 557596703 /nfs/dbraw/zinc/59/67/03/557596703.db2.gz JLQINWDDQUELHA-QZQOTICOSA-N 0 0 401.423 4.826 40 10 HJCBRN O=c1c2ccccc2c(=O)c2n(-c3ccccc3)nc(/N=N/c3ccccc3)sc1=2 ZINC000005600923 557664507 /nfs/dbraw/zinc/66/45/07/557664507.db2.gz AQVNBOHJYVAHOS-OCOZRVBESA-N 0 0 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Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 ZINC000059138926 568701714 /nfs/dbraw/zinc/70/17/14/568701714.db2.gz PIMBGCIQTQKTEW-CPNJWEJPSA-N 0 0 420.852 4.917 40 10 HJCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000059959278 568709605 /nfs/dbraw/zinc/70/96/05/568709605.db2.gz UBXMWLVCOLBVBT-WQRHYEAKSA-N 0 0 412.283 4.635 40 10 HJCBRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCCC1 ZINC000260783889 568738898 /nfs/dbraw/zinc/73/88/98/568738898.db2.gz ULLNUJHLWSUSCZ-NPFVIJTESA-N 0 0 408.571 4.670 40 10 HJCBRN CCOC(=O)CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S ZINC000028048185 568778524 /nfs/dbraw/zinc/77/85/24/568778524.db2.gz IEMAZDCERFZUDJ-NBVRZTHBSA-N 0 0 413.520 4.633 40 10 HJCBRN CCOC(=O)c1sc2nc3c(c(-c4ccc(OC)cc4)c2c1N)C(=O)CC(C)(C)C3 ZINC000003073437 568853807 /nfs/dbraw/zinc/85/38/07/568853807.db2.gz KTLFWHTVOGWVCF-UHFFFAOYSA-N 0 0 424.522 4.886 40 10 HJCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C2=N)S1 ZINC000002199289 569294755 /nfs/dbraw/zinc/29/47/55/569294755.db2.gz JJKLUGCDVDADGH-OXMFYWCOSA-N 0 0 423.567 4.651 40 10 HJCBRN O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc(Cl)cc1Cl ZINC000002258339 569324948 /nfs/dbraw/zinc/32/49/48/569324948.db2.gz OXELQTBYJNOMOP-KPKJPENVSA-N 0 0 415.348 4.601 40 10 HJCBRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000006865666 569334773 /nfs/dbraw/zinc/33/47/73/569334773.db2.gz WSYDKIRREMPILE-UHFFFAOYSA-N 0 0 416.399 4.908 40 10 HJCBRN COC(=O)c1ccc(C)c(-n2c(C)cc([C@H]3NN=C(c4ccccc4)S3)c2C)c1 ZINC000006966972 569336562 /nfs/dbraw/zinc/33/65/62/569336562.db2.gz NPBFOVRIYNGEIX-QFIPXVFZSA-N 0 0 405.523 4.886 40 10 HJCBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Br ZINC000034897920 569360782 /nfs/dbraw/zinc/36/07/82/569360782.db2.gz UMQUKJDDJCZLFK-AHEVQNHNSA-N 0 0 400.363 4.848 40 10 HJCBRN CCN1c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2[C@H](C)CC1(C)C ZINC000208314178 569361449 /nfs/dbraw/zinc/36/14/49/569361449.db2.gz QJWQDWIDKLXSON-PJMHOZITSA-N 0 0 403.551 4.569 40 10 HJCBRN CN(C)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1 ZINC000215049079 569361732 /nfs/dbraw/zinc/36/17/32/569361732.db2.gz YJRLGZSYXKOZFC-GZTJUZNOSA-N 0 0 417.328 4.752 40 10 HJCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=N)S1 ZINC000002402151 569395671 /nfs/dbraw/zinc/39/56/71/569395671.db2.gz NXCNJYJMKVVRMB-GLNJVZSPSA-N 0 0 423.567 4.651 40 10 HJCBRN Cc1cc(C)c2[nH]c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2c1 ZINC000041074247 524340760 /nfs/dbraw/zinc/34/07/60/524340760.db2.gz UHGMJBYFYPJKLJ-WQRHYEAKSA-N 0 0 406.532 4.546 40 10 HJCBRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1C ZINC000225869847 525074026 /nfs/dbraw/zinc/07/40/26/525074026.db2.gz YBFJBRRAFYQZRU-LJQANCHMSA-N 0 0 416.587 4.588 40 10 HJCBRN CCCCCCOc1ccc(Br)cc1C=C1SC(=S)NC1=O ZINC000408539315 557359745 /nfs/dbraw/zinc/35/97/45/557359745.db2.gz GTFGTEACHUALOY-GXDHUFHOSA-N 0 0 400.363 4.897 40 10 HJCBRN COc1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1OC ZINC000005371966 557647914 /nfs/dbraw/zinc/64/79/14/557647914.db2.gz TZKIQARAVDLCOP-BOPFTXTBSA-N 0 0 415.536 4.735 40 10 HJCBRN O=C1/C(=C\c2ccco2)N=C(c2ccccc2Br)N1c1ccc(O)cc1 ZINC000408752343 557816137 /nfs/dbraw/zinc/81/61/37/557816137.db2.gz ABRXJNUUAXGGNG-LDADJPATSA-N 0 0 409.239 4.582 40 10 HJCBRN CCOc1cc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)ccc1O ZINC000009188926 557826677 /nfs/dbraw/zinc/82/66/77/557826677.db2.gz BRYUOVKXOHBJLG-JWGURIENSA-N 0 0 422.550 4.716 40 10 HJCBRN CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000035860658 557829341 /nfs/dbraw/zinc/82/93/41/557829341.db2.gz LHEZZMJLYVATKF-BOPFTXTBSA-N 0 0 417.328 4.752 40 10 HJCBRN CCOc1cc(Br)cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1O ZINC000013476789 558534160 /nfs/dbraw/zinc/53/41/60/558534160.db2.gz IAPDAAZFLURVBI-SXGWCWSVSA-N 0 0 418.312 4.923 40 10 HJCBRN O=C(CSc1ccc(C=C2SC(=S)NC2=O)cc1)Nc1ccc(Cl)cc1 ZINC000015057119 558704527 /nfs/dbraw/zinc/70/45/27/558704527.db2.gz IDYSHLIPGZCZAI-DHDCSXOGSA-N 0 0 420.968 4.560 40 10 HJCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000083318698 558833596 /nfs/dbraw/zinc/83/35/96/558833596.db2.gz ULRMJKXYGPWAPD-PDGQHHTCSA-N 0 0 415.411 4.887 40 10 HJCBRN COc1ccccc1/C=C1/N=C(c2ccccc2Cl)N(c2ccc(O)cc2)C1=O ZINC000408758905 559271465 /nfs/dbraw/zinc/27/14/65/559271465.db2.gz ULZUROHMRANXKL-XSFVSMFZSA-N 0 0 404.853 4.889 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(O)cc3)C2=O)c(OC)c1 ZINC000408759433 559275741 /nfs/dbraw/zinc/27/57/41/559275741.db2.gz DYNFNDPWWLXCQV-HYARGMPZSA-N 0 0 414.461 4.552 40 10 HJCBRN COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408763677 560629542 /nfs/dbraw/zinc/62/95/42/560629542.db2.gz JMWDHCHNIUJORG-PXLXIMEGSA-N 0 0 402.425 4.677 40 10 HJCBRN COc1ccccc1C1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(C)cc1 ZINC000408839989 560645937 /nfs/dbraw/zinc/64/59/37/560645937.db2.gz CDGVJSFXKNLBNI-HMMYKYKNSA-N 0 0 413.433 4.746 40 10 HJCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2F)N1c1ccc(F)cc1 ZINC000408841739 560646106 /nfs/dbraw/zinc/64/61/06/560646106.db2.gz KLESEENSZKSMBR-CPNJWEJPSA-N 0 0 405.360 4.708 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000408892693 560650936 /nfs/dbraw/zinc/65/09/36/560650936.db2.gz JAOQTNUPGKMJMR-ZHZULCJRSA-N 0 0 410.901 4.673 40 10 HJCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OC(C)C ZINC000408972958 560660849 /nfs/dbraw/zinc/66/08/49/560660849.db2.gz XHHBRZYSMPEVKM-WJDWOHSUSA-N 0 0 404.388 4.831 40 10 HJCBRN CCOc1ccccc1/C=C1\C(=O)N(c2ccc(C)c(Cl)c2)C(C)=C1C(=O)OC ZINC000409018047 560666060 /nfs/dbraw/zinc/66/60/60/560666060.db2.gz QBEKKSDEQDPYLV-PDGQHHTCSA-N 0 0 411.885 4.924 40 10 HJCBRN CCCN1C(=O)/C(=C\c2cc(C)n(C(C)(C)C)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409022728 560667042 /nfs/dbraw/zinc/66/70/42/560667042.db2.gz QNBZTHLGUXVRRB-HMMYKYKNSA-N 0 0 423.582 4.814 40 10 HJCBRN COc1c(Cl)cc(Br)cc1/C=C1\SC(=S)N(CC(C)C)C1=O ZINC000409040092 560668875 /nfs/dbraw/zinc/66/88/75/560668875.db2.gz SLJCQQFLEXIEFR-XGICHPGQSA-N 0 0 420.781 4.968 40 10 HJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2nc(Cl)ncc2F)c1 ZINC000409065884 560672254 /nfs/dbraw/zinc/67/22/54/560672254.db2.gz VCJDCHBKOOWNKQ-BOPFTXTBSA-N 0 0 408.820 4.868 40 10 HJCBRN Cc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409191044 560689266 /nfs/dbraw/zinc/68/92/66/560689266.db2.gz ZCTDYAMMAYDOCS-VCHYOVAHSA-N 0 0 414.292 4.827 40 10 HJCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1N1CCOCC1 ZINC000409215905 560697146 /nfs/dbraw/zinc/69/71/46/560697146.db2.gz BZXLKYYCNNDQAQ-XDHOZWIPSA-N 0 0 414.914 4.726 40 10 HJCBRN COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000409244080 560702974 /nfs/dbraw/zinc/70/29/74/560702974.db2.gz XIDBYLLOSJFHHY-FYJGNVAPSA-N 0 0 421.884 4.853 40 10 HJCBRN CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)SC1=S ZINC000409329598 560710147 /nfs/dbraw/zinc/71/01/47/560710147.db2.gz FYOWWJBYAVEEKI-YBEGLDIGSA-N 0 0 421.927 4.998 40 10 HJCBRN CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409338244 560712540 /nfs/dbraw/zinc/71/25/40/560712540.db2.gz GLZHRYUQHFVYOB-OCKHKDLRSA-N 0 0 413.520 4.856 40 10 HJCBRN CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409345607 560714693 /nfs/dbraw/zinc/71/46/93/560714693.db2.gz IHDWIQYNDPKZSY-GZTJUZNOSA-N 0 0 400.481 4.788 40 10 HJCBRN COc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)c1 ZINC000005745885 560738429 /nfs/dbraw/zinc/73/84/29/560738429.db2.gz FQTPXZXJZXXHAM-KGENOOAVSA-N 0 0 404.853 4.889 40 10 HJCBRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000007073063 560749575 /nfs/dbraw/zinc/74/95/75/560749575.db2.gz ZPKSKKUXDGJEGH-MRXNPFEDSA-N 0 0 413.473 4.993 40 10 HJCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1cccc(OC)c1 ZINC000112290701 560778197 /nfs/dbraw/zinc/77/81/97/560778197.db2.gz RWKCJRPCJOWDBU-QNGOZBTKSA-N 0 0 420.538 4.871 40 10 HJCBRN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2O)cc1 ZINC000014607231 560846878 /nfs/dbraw/zinc/84/68/78/560846878.db2.gz AMZOEWRITNCDRI-QHCPKHFHSA-N 0 0 410.477 4.978 40 10 HJCBRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577795 560870044 /nfs/dbraw/zinc/87/00/44/560870044.db2.gz LNWQRIYADVYMFJ-JXQFQVJHSA-N 0 0 410.558 4.966 40 10 HJCBRN C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577897 560870549 /nfs/dbraw/zinc/87/05/49/560870549.db2.gz OFNNXPPQRJGZQO-VQTJNVASSA-N 0 0 419.569 4.536 40 10 HJCBRN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 ZINC000208221358 568443638 /nfs/dbraw/zinc/44/36/38/568443638.db2.gz FIXAGHFZGYAHAL-GEYIUBJWSA-N 0 0 407.489 4.641 40 10 HJCBRN CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219565113 568495385 /nfs/dbraw/zinc/49/53/85/568495385.db2.gz ZDCPZWKXUVZTAL-DXIQSLLYSA-N 0 0 410.558 4.966 40 10 HJCBRN CCOc1cc(N(CC)CC)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222604534 568520248 /nfs/dbraw/zinc/52/02/48/568520248.db2.gz ZCDOPRAYMMKXIS-KNXBSLHKSA-N 0 0 410.587 4.916 40 10 HJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(C)cn1 ZINC000222621344 568521031 /nfs/dbraw/zinc/52/10/31/568521031.db2.gz CRGHJMMWLMDKPV-USCONSEESA-N 0 0 403.555 4.782 40 10 HJCBRN C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222644931 568522065 /nfs/dbraw/zinc/52/20/65/568522065.db2.gz GGIPJEVPABBAOE-MOPGFXCFSA-N 0 0 408.542 4.504 40 10 HJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(OC)c3)N21 ZINC000222679933 568523501 /nfs/dbraw/zinc/52/35/01/568523501.db2.gz GAFCFUAEPZYHAF-ZPMCFJSWSA-N 0 0 408.571 4.670 40 10 HJCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 ZINC000222831423 568527707 /nfs/dbraw/zinc/52/77/07/568527707.db2.gz ZMHNYJAJLNTLME-XZOQPEGZSA-N 0 0 420.582 4.879 40 10 HJCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000222988388 568533374 /nfs/dbraw/zinc/53/33/74/568533374.db2.gz GRZMJXVVOOOQPW-XZOQPEGZSA-N 0 0 420.582 4.962 40 10 HJCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc21 ZINC000223486100 568550241 /nfs/dbraw/zinc/55/02/41/568550241.db2.gz UYXXNWGGZCFDBX-XKZIYDEJSA-N 0 0 415.562 4.867 40 10 HJCBRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000223865194 568561267 /nfs/dbraw/zinc/56/12/67/568561267.db2.gz VBAMVBHJHFYKHS-WOJBJXKFSA-N 0 0 406.570 4.885 40 10 HJCBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(OC)c1 ZINC000225654431 568660454 /nfs/dbraw/zinc/66/04/54/568660454.db2.gz NJLCLCNLZXSMQC-QGZVFWFLSA-N 0 0 413.587 4.988 40 10 HJCBRN C[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000225665516 568661847 /nfs/dbraw/zinc/66/18/47/568661847.db2.gz JICDWXNBHOZTHM-GOSISDBHSA-N 0 0 422.598 4.851 40 10 HJCBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC ZINC000225668336 568662333 /nfs/dbraw/zinc/66/23/33/568662333.db2.gz ANECCWLFBFIYRB-SJORKVTESA-N 0 0 413.587 4.988 40 10 HJCBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC ZINC000260732730 568736871 /nfs/dbraw/zinc/73/68/71/568736871.db2.gz ANECCWLFBFIYRB-IRXDYDNUSA-N 0 0 413.587 4.988 40 10 HJCBRN COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260735450 568737089 /nfs/dbraw/zinc/73/70/89/568737089.db2.gz IOZXAPKQHOKUNB-INIZCTEOSA-N 0 0 411.571 4.505 40 10 HJCBRN C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260735422 568737115 /nfs/dbraw/zinc/73/71/15/568737115.db2.gz ICOMZXZUWOESNX-DLBZAZTESA-N 0 0 411.571 4.742 40 10 HJCBRN C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260800692 568740205 /nfs/dbraw/zinc/74/02/05/568740205.db2.gz UUEOXWCPHNIRAG-PMACEKPBSA-N 0 0 402.542 4.659 40 10 HJCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(F)F ZINC000007065620 568937361 /nfs/dbraw/zinc/93/73/61/568937361.db2.gz DMGYSWYVNYSFAP-MHWRWJLKSA-N 0 0 407.463 4.698 40 10 HJCBRN CC1=NN2C(=NC(=O)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C2=N)S1 ZINC000026681008 569052652 /nfs/dbraw/zinc/05/26/52/569052652.db2.gz QZFLBYHKNKLVDH-PPHIJBTASA-N 0 0 413.506 4.637 40 10 HJCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccc(C)cc2)C1=O ZINC000001314007 569320390 /nfs/dbraw/zinc/32/03/90/569320390.db2.gz VAAPEQDSCFHVPH-UBSBAQTRSA-N 0 0 408.548 4.781 40 10 HJCBRN Cc1ccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1C ZINC000001263872 569320403 /nfs/dbraw/zinc/32/04/03/569320403.db2.gz VAXDQCZXWOUWRU-CAMSTOTOSA-N 0 0 408.548 4.700 40 10 HJCBRN COc1ccc(N2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000019657278 569345725 /nfs/dbraw/zinc/34/57/25/569345725.db2.gz IELOPBSCEQHMRT-VGOFRKELSA-N 0 0 407.539 4.539 40 10 HJCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000005977588 569359778 /nfs/dbraw/zinc/35/97/78/569359778.db2.gz GUQLKCOTJVBHIB-ZHZULCJRSA-N 0 0 414.417 4.625 40 10 HJCBRN C[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000044854997 569361001 /nfs/dbraw/zinc/36/10/01/569361001.db2.gz UUEOXWCPHNIRAG-VQTJNVASSA-N 0 0 402.542 4.659 40 10 HJCBRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Oc2ccccc2)cc1 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ZINC000409383219 560717498 /nfs/dbraw/zinc/71/74/98/560717498.db2.gz SPFZAPVUJMXYMA-BOPFTXTBSA-N 0 0 413.832 4.559 40 10 HJCBRN Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1cccc(C)c1 ZINC000409398862 560720783 /nfs/dbraw/zinc/72/07/83/560720783.db2.gz FEKLLOQYFGFYEB-JLPGSUDCSA-N 0 0 421.500 4.768 40 10 HJCBRN CC(NCCc1c[nH]c2ccc(Cl)cc12)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000103916834 560734925 /nfs/dbraw/zinc/73/49/25/560734925.db2.gz YXPAVYFMLWYWSD-BKUYFWCQSA-N 0 0 410.880 4.789 40 10 HJCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1ccc(Cl)cc1 ZINC000103917948 560735009 /nfs/dbraw/zinc/73/50/09/560735009.db2.gz PQQXTRWRDSMKDF-JWGURIENSA-N 0 0 411.933 4.958 40 10 HJCBRN COc1cc(OC)c(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1Br ZINC000015226943 560854304 /nfs/dbraw/zinc/85/43/04/560854304.db2.gz PUWSLDOKPQMGOS-OVCLIPMQSA-N 0 0 401.256 4.756 40 10 HJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000020244061 560883417 /nfs/dbraw/zinc/88/34/17/560883417.db2.gz 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CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 ZINC000222595685 568519827 /nfs/dbraw/zinc/51/98/27/568519827.db2.gz ULLNUJHLWSUSCZ-USCONSEESA-N 0 0 408.571 4.670 40 10 HJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)cc(Br)c3O)N21 ZINC000222674321 568523276 /nfs/dbraw/zinc/52/32/76/568523276.db2.gz GESRDXAFRDZOQC-CSMYWGQOSA-N 0 0 418.360 4.838 40 10 HJCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3OC)N21 ZINC000222688262 568523705 /nfs/dbraw/zinc/52/37/05/568523705.db2.gz BOBGOBLAKBPYCO-KNXBSLHKSA-N 0 0 410.587 4.916 40 10 HJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(O)cc1 ZINC000222831114 568527726 /nfs/dbraw/zinc/52/77/26/568527726.db2.gz XQZIWRIDWXGGAV-YADHBBJMSA-N 0 0 406.555 4.576 40 10 HJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ncccc1C ZINC000222837823 568527967 /nfs/dbraw/zinc/52/79/67/568527967.db2.gz NGHKLLBLRWFRID-RTWAWAEBSA-N 0 0 405.571 4.573 40 10 HJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000222882812 568529440 /nfs/dbraw/zinc/52/94/40/568529440.db2.gz GRGKACBDNWXZPM-VXKWHMMOSA-N 0 0 405.571 4.575 40 10 HJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000222883192 568529507 /nfs/dbraw/zinc/52/95/07/568529507.db2.gz BKYNWIHJQYAPBJ-LEWJYISDSA-N 0 0 405.571 4.575 40 10 HJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(C)cn1 ZINC000222928500 568531287 /nfs/dbraw/zinc/53/12/87/568531287.db2.gz KJXPEPVOKAHCTD-GOTSBHOMSA-N 0 0 419.598 4.821 40 10 HJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 ZINC000222943740 568531896 /nfs/dbraw/zinc/53/18/96/568531896.db2.gz KXAOTCUFWJOKLL-XZOQPEGZSA-N 0 0 420.582 4.818 40 10 HJCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000222966485 568532537 /nfs/dbraw/zinc/53/25/37/568532537.db2.gz UAPMDUOAHPRUHK-DHIUTWEWSA-N 0 0 420.582 4.967 40 10 HJCBRN CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000225417771 568636014 /nfs/dbraw/zinc/63/60/14/568636014.db2.gz 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CCN1c2cc(C)c(/C=c3\sc4nc5ccccc5n4c3=O)cc2[C@H](C)CC1(C)C ZINC000208316990 569361515 /nfs/dbraw/zinc/36/15/15/569361515.db2.gz DCJQLCBIGDTGFJ-NXUSMQHESA-N 0 0 417.578 4.877 40 10 HJCBRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 ZINC000225695928 521471403 /nfs/dbraw/zinc/47/14/03/521471403.db2.gz SPMWWXMLZKYFHF-KRWDZBQOSA-N 0 0 411.571 4.820 40 10 HJCBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c2cccnc12 ZINC000225697358 524665352 /nfs/dbraw/zinc/66/53/52/524665352.db2.gz PBEXFWDGBLQJJH-MRXNPFEDSA-N 0 0 406.555 4.891 40 10 HJCBRN N=C1/C(=C/c2cccn2-c2ccccc2F)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000041076357 526837467 /nfs/dbraw/zinc/83/74/67/526837467.db2.gz MAMLIXAOLMPRIT-XSZXRDMNSA-N 0 0 421.501 4.816 40 10 HJCBRN Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000044854844 527449460 /nfs/dbraw/zinc/44/94/60/527449460.db2.gz OIQCVKYVWQRDOP-IBGZPJMESA-N 0 0 402.542 4.721 40 10 HJCBRN CCCOc1ccccc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408600901 557521474 /nfs/dbraw/zinc/52/14/74/557521474.db2.gz GUQWKCSVQNEYHI-ATVHPVEESA-N 0 0 400.481 4.789 40 10 HJCBRN Cc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000006208292 557694244 /nfs/dbraw/zinc/69/42/44/557694244.db2.gz ZHURHQSGYUFJKG-SFQUDFHCSA-N 0 0 416.955 4.878 40 10 HJCBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000408706693 557734318 /nfs/dbraw/zinc/73/43/18/557734318.db2.gz CIVCYEBFTURDDQ-KRWDZBQOSA-N 0 0 407.901 4.739 40 10 HJCBRN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)cc1 ZINC000408709194 557736471 /nfs/dbraw/zinc/73/64/71/557736471.db2.gz YLJALSYEOKUEPP-FQEVSTJZSA-N 0 0 401.510 4.648 40 10 HJCBRN Cc1cccc(C(=O)N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1 ZINC000408719035 557761860 /nfs/dbraw/zinc/76/18/60/557761860.db2.gz GPJBDXHSPROPJO-XNTDXEJSSA-N 0 0 418.337 4.799 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2cccc(C)c2)cc1 ZINC000408754283 557816546 /nfs/dbraw/zinc/81/65/46/557816546.db2.gz PSFXSJRNCQYHSO-FYJGNVAPSA-N 0 0 412.445 4.567 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2F)cc1 ZINC000408754542 557816558 /nfs/dbraw/zinc/81/65/58/557816558.db2.gz KSKNEGYPNPSYRT-RCCKNPSSSA-N 0 0 402.425 4.677 40 10 HJCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 ZINC000009188362 557825813 /nfs/dbraw/zinc/82/58/13/557825813.db2.gz UQESAYIYLMHHMA-WJDWOHSUSA-N 0 0 419.369 4.921 40 10 HJCBRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000022532967 558497476 /nfs/dbraw/zinc/49/74/76/558497476.db2.gz FDXIHTJLQQXEQQ-UHFFFAOYSA-N 0 0 422.550 4.948 40 10 HJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408757577 558753485 /nfs/dbraw/zinc/75/34/85/558753485.db2.gz AFMPPTZQGVACDN-KGENOOAVSA-N 0 0 418.399 4.586 40 10 HJCBRN O=C(NN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S)c1ccccc1 ZINC000040939796 559133815 /nfs/dbraw/zinc/13/38/15/559133815.db2.gz BJJJEKNGDTXOKA-NTEUORMPSA-N 0 0 409.319 4.540 40 10 HJCBRN O=C1/C(=C/c2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1C1CCCC1 ZINC000102728294 559152229 /nfs/dbraw/zinc/15/22/29/559152229.db2.gz MDRAHNQTGQTFBL-APSNUPSMSA-N 0 0 418.927 4.761 40 10 HJCBRN Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072216861 559169667 /nfs/dbraw/zinc/16/96/67/559169667.db2.gz XOPKVRCEJFDQHV-QFIPXVFZSA-N 0 0 409.555 4.713 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(C)c3)C2=O)c(OC)c1 ZINC000408760652 559276006 /nfs/dbraw/zinc/27/60/06/559276006.db2.gz CLLQQNLQKXDJTJ-HYARGMPZSA-N 0 0 416.452 4.986 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(O)cc3)C2=O)c(OC)c1 ZINC000408762661 560629074 /nfs/dbraw/zinc/62/90/74/560629074.db2.gz LRSXQZCGQAJDQD-HYARGMPZSA-N 0 0 414.461 4.552 40 10 HJCBRN C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260504283 560635346 /nfs/dbraw/zinc/63/53/46/560635346.db2.gz GGIPJEVPABBAOE-RBUKOAKNSA-N 0 0 408.542 4.504 40 10 HJCBRN Cc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c(C)n1-c1ccc(Cl)c(F)c1 ZINC000408829903 560645667 /nfs/dbraw/zinc/64/56/67/560645667.db2.gz RAYFGDVMJHQYSB-UHFFFAOYSA-N 0 0 403.837 4.640 40 10 HJCBRN COc1ccccc1C1=N/C(=C/c2ccco2)C(=O)N1c1cccc(Br)c1 ZINC000408846678 560646546 /nfs/dbraw/zinc/64/65/46/560646546.db2.gz YHRUSGHJLCMKCV-QGOAFFKASA-N 0 0 423.266 4.885 40 10 HJCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000408936428 560656014 /nfs/dbraw/zinc/65/60/14/560656014.db2.gz GIDHNSKGUWCWPY-PXLXIMEGSA-N 0 0 414.436 4.847 40 10 HJCBRN CCOc1ccc2nc(Sc3ccc(C=C4SC(=S)NC4=O)o3)sc2c1 ZINC000408989085 560662533 /nfs/dbraw/zinc/66/25/33/560662533.db2.gz GXBHZDWHYWJJDP-JYRVWZFOSA-N 0 0 420.562 4.928 40 10 HJCBRN COc1ccc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409038497 560668642 /nfs/dbraw/zinc/66/86/42/560668642.db2.gz PFOKRNOPMBHEBR-POHAHGRESA-N 0 0 416.733 4.850 40 10 HJCBRN Cc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000409146566 560684798 /nfs/dbraw/zinc/68/47/98/560684798.db2.gz URKBLGQRCBQVRL-STZFKDTASA-N 0 0 415.518 4.803 40 10 HJCBRN CCCn1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 ZINC000409331731 560710409 /nfs/dbraw/zinc/71/04/09/560710409.db2.gz OSKIFMAEWZYHCO-UYRXBGFRSA-N 0 0 421.547 4.598 40 10 HJCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)c(C)c1 ZINC000409334803 560712191 /nfs/dbraw/zinc/71/21/91/560712191.db2.gz WHDCQOPMRHEDAD-ZHZULCJRSA-N 0 0 410.564 4.546 40 10 HJCBRN COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409335769 560712327 /nfs/dbraw/zinc/71/23/27/560712327.db2.gz ZJOOEEONCDUYQO-YVLHZVERSA-N 0 0 400.481 4.626 40 10 HJCBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409335734 560712335 /nfs/dbraw/zinc/71/23/35/560712335.db2.gz ZDCHFYIOOMKFOL-PDGQHHTCSA-N 0 0 411.508 4.601 40 10 HJCBRN O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409346774 560713040 /nfs/dbraw/zinc/71/30/40/560713040.db2.gz LHWIVVLKTDUVAH-CHHVJCJISA-N 0 0 409.410 4.840 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OC)c(OC)c3)SC2=S)cc1 ZINC000409349852 560713589 /nfs/dbraw/zinc/71/35/89/560713589.db2.gz WHIKOCYZBSKOTC-MHWRWJLKSA-N 0 0 421.927 4.772 40 10 HJCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000006952906 560747067 /nfs/dbraw/zinc/74/70/67/560747067.db2.gz CVAFPBDCYCBMGV-VNBZBWLYSA-N 0 0 401.806 4.992 40 10 HJCBRN COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 ZINC000007496910 560751248 /nfs/dbraw/zinc/75/12/48/560751248.db2.gz YWOYLKHOMSQTKI-UHFFFAOYSA-N 0 0 424.541 4.597 40 10 HJCBRN CC(NCCc1cccs1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017083179 560862350 /nfs/dbraw/zinc/86/23/50/560862350.db2.gz JAIWXAMSLISGAC-PGMHBOJBSA-N 0 0 405.498 4.744 40 10 HJCBRN C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260578081 560870503 /nfs/dbraw/zinc/87/05/03/560870503.db2.gz VWICNFACEBRNTI-OALUTQOASA-N 0 0 405.542 4.541 40 10 HJCBRN CCN1c2cc(C)c(/C=c3\sc4nc5ccccc5n4c3=O)cc2C(C)=CC1(C)C ZINC000208520351 568446939 /nfs/dbraw/zinc/44/69/39/568446939.db2.gz IOSBYCFGRRAAGQ-XKZIYDEJSA-N 0 0 415.562 4.787 40 10 HJCBRN C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219214879 568488032 /nfs/dbraw/zinc/48/80/32/568488032.db2.gz VHZXJRPVJOVVBN-MOPGFXCFSA-N 0 0 405.542 4.541 40 10 HJCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(OC)c3)N21 ZINC000222679991 568523436 /nfs/dbraw/zinc/52/34/36/568523436.db2.gz GAFCFUAEPZYHAF-MTNREXPMSA-N 0 0 408.571 4.670 40 10 HJCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccn4)c3C)N21 ZINC000222681813 568523585 /nfs/dbraw/zinc/52/35/85/568523585.db2.gz OVWLCDKNDGWDNV-BULFRSBZSA-N 0 0 403.555 4.864 40 10 HJCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)cc1 ZINC000222854199 568528531 /nfs/dbraw/zinc/52/85/31/568528531.db2.gz KFXOKTMWMPTCRW-YADHBBJMSA-N 0 0 406.555 4.570 40 10 HJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ncccc1C ZINC000222928123 568531261 /nfs/dbraw/zinc/53/12/61/568531261.db2.gz SOXXLJKZMAJXNW-YADHBBJMSA-N 0 0 419.598 4.821 40 10 HJCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000222988430 568533336 /nfs/dbraw/zinc/53/33/36/568533336.db2.gz GRZMJXVVOOOQPW-DHIUTWEWSA-N 0 0 420.582 4.962 40 10 HJCBRN C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000223534003 568551139 /nfs/dbraw/zinc/55/11/39/568551139.db2.gz UUEOXWCPHNIRAG-UXHICEINSA-N 0 0 402.542 4.659 40 10 HJCBRN C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCC(C)CC2)cc1 ZINC000225655528 568660602 /nfs/dbraw/zinc/66/06/02/568660602.db2.gz GJVZXRHSJPUQHL-KRWDZBQOSA-N 0 0 411.571 4.742 40 10 HJCBRN C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225669407 568662473 /nfs/dbraw/zinc/66/24/73/568662473.db2.gz ICOMZXZUWOESNX-IAGOWNOFSA-N 0 0 411.571 4.742 40 10 HJCBRN Cc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225956297 568688893 /nfs/dbraw/zinc/68/88/93/568688893.db2.gz FPJVEUYURRDUPI-UHFFFAOYSA-N 0 0 419.554 4.664 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1O ZINC000059435736 568704066 /nfs/dbraw/zinc/70/40/66/568704066.db2.gz DPZDIHQBLIVNHW-ZROIWOOFSA-N 0 0 404.249 4.576 40 10 HJCBRN COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OCc1ccc(Cl)cc1 ZINC000059418091 568705974 /nfs/dbraw/zinc/70/59/74/568705974.db2.gz RPMKZYLHQPNAFV-LICLKQGHSA-N 0 0 405.928 4.759 40 10 HJCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000059435439 568706700 /nfs/dbraw/zinc/70/67/00/568706700.db2.gz WJKRQJCXMCOQHO-ATVHPVEESA-N 0 0 416.304 4.909 40 10 HJCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000059566495 568706840 /nfs/dbraw/zinc/70/68/40/568706840.db2.gz XKTDEXNNXHAHNG-XKZIYDEJSA-N 0 0 406.526 4.731 40 10 HJCBRN COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000096594468 568722005 /nfs/dbraw/zinc/72/20/05/568722005.db2.gz SHNGTHPBTVGWIO-VXLYETTFSA-N 0 0 415.536 4.735 40 10 HJCBRN CCOc1cc(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260786476 568738836 /nfs/dbraw/zinc/73/88/36/568738836.db2.gz XKHXWAPNRHRMQO-URZJWIJPSA-N 0 0 408.571 4.670 40 10 HJCBRN COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1OC ZINC000002470378 568773527 /nfs/dbraw/zinc/77/35/27/568773527.db2.gz GLIQURPBDIIUSH-QFIPXVFZSA-N 0 0 401.466 4.863 40 10 HJCBRN CC(/C=C1/SC(=S)N(CCCC(=O)Nc2cccnc2)C1=O)=C/c1ccccc1 ZINC000026779784 569056627 /nfs/dbraw/zinc/05/66/27/569056627.db2.gz WRWDMYCIQDOTIZ-HARCQHEZSA-N 0 0 423.563 4.648 40 10 HJCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000034700861 569360591 /nfs/dbraw/zinc/36/05/91/569360591.db2.gz AVHYYHOKSTZWCX-UYRXBGFRSA-N 0 0 405.885 4.517 40 10 HJCBRN C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225809564 525062413 /nfs/dbraw/zinc/06/24/13/525062413.db2.gz BUJADCVLZRGEIV-NHCUHLMSSA-N 0 0 406.570 4.849 40 10 HJCBRN COc1ccc(N2CCN(C(=S)c3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000004622720 536693186 /nfs/dbraw/zinc/69/31/86/536693186.db2.gz TWPMBYQTUQUUCC-UHFFFAOYSA-N 0 0 418.562 4.772 40 10 HJCBRN COc1cc(C)c(C)cc1C1(c2cc(C)c(C)cc2O)C(=O)c2ccccc2C1=O ZINC000001574125 557273218 /nfs/dbraw/zinc/27/32/18/557273218.db2.gz JROCSXBYPWJROR-UHFFFAOYSA-N 0 0 400.474 5.000 40 10 HJCBRN CCOc1ccc(NC=C2C(=O)N(c3ccc(Br)c(C)c3)N=C2C)cc1 ZINC000408529093 557294355 /nfs/dbraw/zinc/29/43/55/557294355.db2.gz IHBIBTGOHUJMTJ-PDGQHHTCSA-N 0 0 414.303 4.875 40 10 HJCBRN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNNc1ccc(C)cc1C ZINC000408535961 557326061 /nfs/dbraw/zinc/32/60/61/557326061.db2.gz UVTWXVLOGBUETA-BOPFTXTBSA-N 0 0 413.319 4.597 40 10 HJCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCCCCC1 ZINC000005370725 557647176 /nfs/dbraw/zinc/64/71/76/557647176.db2.gz GWGSSSGYCIUGTM-ZPHPHTNESA-N 0 0 416.612 4.851 40 10 HJCBRN Cc1ccccc1NC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000005370831 557647396 /nfs/dbraw/zinc/64/73/96/557647396.db2.gz QWEFUWNDHRCKFT-UZYLVVNOSA-N 0 0 408.548 4.781 40 10 HJCBRN Cc1ccc(-n2nnnc2C=CNc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000005795040 557674868 /nfs/dbraw/zinc/67/48/68/557674868.db2.gz ZQSKQARXEQZTSH-YPKPFQOOSA-N 0 0 415.884 4.938 40 10 HJCBRN CCOc1ccccc1N1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S ZINC000005967658 557682762 /nfs/dbraw/zinc/68/27/62/557682762.db2.gz XXZRPEDKQXRZHC-LDADJPATSA-N 0 0 401.509 4.508 40 10 HJCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1 ZINC000006078805 557686488 /nfs/dbraw/zinc/68/64/88/557686488.db2.gz QFNUVOWXIIDBCO-SFQUDFHCSA-N 0 0 401.509 4.508 40 10 HJCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NC1CCCCC1 ZINC000006147551 557691275 /nfs/dbraw/zinc/69/12/75/557691275.db2.gz UFLULZQDWYJAKW-MNDPQUGUSA-N 0 0 416.612 4.897 40 10 HJCBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000408708881 557735284 /nfs/dbraw/zinc/73/52/84/557735284.db2.gz VAHDPJDIOIPTQK-FQEVSTJZSA-N 0 0 401.510 4.703 40 10 HJCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(O)cc1 ZINC000008820489 557810054 /nfs/dbraw/zinc/81/00/54/557810054.db2.gz IHPCRMOCDIJLGK-DURWOYGOSA-N 0 0 424.547 4.569 40 10 HJCBRN COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000408753310 557814379 /nfs/dbraw/zinc/81/43/79/557814379.db2.gz LUMOGLKBQHJPGT-FYJGNVAPSA-N 0 0 420.415 4.817 40 10 HJCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Cl)cc2)N1c1ccccc1 ZINC000408756236 557817970 /nfs/dbraw/zinc/81/79/70/557817970.db2.gz OWUGDLOWSUALRL-XDHOZWIPSA-N 0 0 402.837 4.903 40 10 HJCBRN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000009310721 557836131 /nfs/dbraw/zinc/83/61/31/557836131.db2.gz XIZLVRCUKBVCTK-VGOFMYFVSA-N 0 0 421.843 4.562 40 10 HJCBRN CCCCN1C(=O)/C(=C/c2cc(OCC)c(O)cc2Br)SC1=S ZINC000036613147 558726345 /nfs/dbraw/zinc/72/63/45/558726345.db2.gz IWEPCHCBEGIWTR-ZSOIEALJSA-N 0 0 416.362 4.555 40 10 HJCBRN COc1ccc(C=C2SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)c(OC)c1 ZINC000016692846 558800472 /nfs/dbraw/zinc/80/04/72/558800472.db2.gz FVRASGQBYSQNSE-LZYBPNLTSA-N 0 0 408.401 4.805 40 10 HJCBRN COc1ccc(CN[C@H](Cc2cccs2)c2nc(C)cs2)cc1Cn1cccn1 ZINC000019240079 558858757 /nfs/dbraw/zinc/85/87/57/558858757.db2.gz WHERAZDIVUKKMM-HXUWFJFHSA-N 0 0 424.595 4.840 40 10 HJCBRN C[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000065222364 558970715 /nfs/dbraw/zinc/97/07/15/558970715.db2.gz VVSVEVJYTGZHAA-AWEZNQCLSA-N 0 0 409.477 4.590 40 10 HJCBRN C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000019717173 558979532 /nfs/dbraw/zinc/97/95/32/558979532.db2.gz UOOZRJVEXUZKND-HXUWFJFHSA-N 0 0 419.569 4.536 40 10 HJCBRN Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100929751 559141924 /nfs/dbraw/zinc/14/19/24/559141924.db2.gz XSGZITZPIYAROS-ZROIWOOFSA-N 0 0 405.241 4.929 40 10 HJCBRN Cc1ccc(C)c(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 ZINC000033390943 559157406 /nfs/dbraw/zinc/15/74/06/559157406.db2.gz FHEUTDMQHRDUAJ-ZHZULCJRSA-N 0 0 413.564 4.982 40 10 HJCBRN Cc1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1C ZINC000033391834 559157431 /nfs/dbraw/zinc/15/74/31/559157431.db2.gz ISNVKNQOSAQYLH-ZHZULCJRSA-N 0 0 413.564 4.982 40 10 HJCBRN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC ZINC000260466411 559288870 /nfs/dbraw/zinc/28/88/70/559288870.db2.gz SCULMEFIUVLDFN-YMJMCWPSSA-N 0 0 408.542 4.831 40 10 HJCBRN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1ccc(F)cc1 ZINC000000924813 560556711 /nfs/dbraw/zinc/55/67/11/560556711.db2.gz DKOJXZKMYWACBN-IBGZPJMESA-N 0 0 411.502 4.599 40 10 HJCBRN CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408765539 560629802 /nfs/dbraw/zinc/62/98/02/560629802.db2.gz LYKHIQJYLGPCPB-PXLXIMEGSA-N 0 0 402.425 4.765 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2F)cc1 ZINC000408845215 560646444 /nfs/dbraw/zinc/64/64/44/560646444.db2.gz VHDLCEQHHHCNBR-XSFVSMFZSA-N 0 0 417.396 4.577 40 10 HJCBRN CCCOc1c(Cl)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC ZINC000408945115 560656515 /nfs/dbraw/zinc/65/65/15/560656515.db2.gz VXDNGIAFDLXBET-GZTJUZNOSA-N 0 0 412.873 4.579 40 10 HJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000408996009 560662727 /nfs/dbraw/zinc/66/27/27/560662727.db2.gz CMVLRHRTKXYZBR-DHDCSXOGSA-N 0 0 404.249 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ZINC000409123751 560679423 /nfs/dbraw/zinc/67/94/23/560679423.db2.gz IMRNGAIWOSKCAD-SXGWCWSVSA-N 0 0 421.385 4.996 40 10 HJCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCC(C)C ZINC000409124401 560680795 /nfs/dbraw/zinc/68/07/95/560680795.db2.gz HGSXRRUZGISXGX-MOSHPQCFSA-N 0 0 424.522 4.520 40 10 HJCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O ZINC000409127087 560681188 /nfs/dbraw/zinc/68/11/88/560681188.db2.gz OXXDAMVDLIVAMP-WOJGMQOQSA-N 0 0 404.919 4.739 40 10 HJCBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)ccc1Cl ZINC000409209791 560693715 /nfs/dbraw/zinc/69/37/15/560693715.db2.gz HBYVBJLNIFHOBT-DHDCSXOGSA-N 0 0 407.900 4.608 40 10 HJCBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCCC4)c4ccccc34)C2=O)cc1 ZINC000409246987 560701582 /nfs/dbraw/zinc/70/15/82/560701582.db2.gz AKKUTKGNMUGUPT-XQNSMLJCSA-N 0 0 411.505 4.841 40 10 HJCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409241957 560702469 /nfs/dbraw/zinc/70/24/69/560702469.db2.gz SYVIJSZMMYTTHT-YBFXNURJSA-N 0 0 406.873 4.548 40 10 HJCBRN CCc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1 ZINC000409326554 560709614 /nfs/dbraw/zinc/70/96/14/560709614.db2.gz CCSUWAZHPSODIE-BOPFTXTBSA-N 0 0 416.955 4.757 40 10 HJCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(OC(C)=O)cc3)SC2=S)c1 ZINC000409329074 560709953 /nfs/dbraw/zinc/70/99/53/560709953.db2.gz COYWXCMALYMZRL-LICLKQGHSA-N 0 0 401.534 4.740 40 10 HJCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1O ZINC000409331714 560710380 /nfs/dbraw/zinc/71/03/80/560710380.db2.gz PBXBYZZPLMVXBX-MHWRWJLKSA-N 0 0 405.928 4.846 40 10 HJCBRN CCCN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S ZINC000409331851 560710412 /nfs/dbraw/zinc/71/04/12/560710412.db2.gz OUOLPZSOHCYMNE-PDGQHHTCSA-N 0 0 414.508 4.785 40 10 HJCBRN O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409343174 560711829 /nfs/dbraw/zinc/71/18/29/560711829.db2.gz GIKDSAHPKMIBJW-VIZOYTHASA-N 0 0 409.410 4.840 40 10 HJCBRN CC(NCCSc1ccc(Cl)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000103916393 560734859 /nfs/dbraw/zinc/73/48/59/560734859.db2.gz OKNDRSIEGDXYMS-UYRXBGFRSA-N 0 0 403.910 4.858 40 10 HJCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccccc12 ZINC000103918185 560734995 /nfs/dbraw/zinc/73/49/95/560734995.db2.gz BFBCAJFOUUPQAU-ULJHMMPZSA-N 0 0 416.525 4.786 40 10 HJCBRN O=C1/C(=C\c2cccc(I)c2)SC(=S)N1c1ccccc1 ZINC000005541084 560738036 /nfs/dbraw/zinc/73/80/36/560738036.db2.gz MQIMZMSPKSSJAY-GXDHUFHOSA-N 0 0 423.300 4.697 40 10 HJCBRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000106692756 560745460 /nfs/dbraw/zinc/74/54/60/560745460.db2.gz ZVZWZVOITUOWIG-NVNXTCNLSA-N 0 0 405.317 4.797 40 10 HJCBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 ZINC000106781149 560746235 /nfs/dbraw/zinc/74/62/35/560746235.db2.gz WSWGKUZIWIWVAU-PGMHBOJBSA-N 0 0 408.523 4.711 40 10 HJCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCc3ccc(F)cc3)C2=O)cc1 ZINC000112286944 560777868 /nfs/dbraw/zinc/77/78/68/560777868.db2.gz WPKQIQNXELPCGJ-QJOMJCCJSA-N 0 0 415.468 4.649 40 10 HJCBRN C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260578064 560870477 /nfs/dbraw/zinc/87/04/77/560870477.db2.gz VHZXJRPVJOVVBN-RBUKOAKNSA-N 0 0 405.542 4.541 40 10 HJCBRN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC ZINC000260578032 560870494 /nfs/dbraw/zinc/87/04/94/560870494.db2.gz UAHNKMNNXKCPLH-OALUTQOASA-N 0 0 410.558 4.750 40 10 HJCBRN C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21 ZINC000208221651 568443551 /nfs/dbraw/zinc/44/35/51/568443551.db2.gz SDUXGKGQOMJPCW-DKNZLLBESA-N 0 0 407.489 4.641 40 10 HJCBRN Cc1ccc(CN2C(=O)N/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)cc1 ZINC000208221952 568443583 /nfs/dbraw/zinc/44/35/83/568443583.db2.gz DQFSJDBKDDPOCP-OJSPLJLUSA-N 0 0 403.526 4.810 40 10 HJCBRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000218119961 568475250 /nfs/dbraw/zinc/47/52/50/568475250.db2.gz RMKJCJPWZRWTCR-OAHLLOKOSA-N 0 0 401.894 4.976 40 10 HJCBRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218120152 568475281 /nfs/dbraw/zinc/47/52/81/568475281.db2.gz RVMDXPRMBCSOCS-HUUCEWRRSA-N 0 0 401.894 4.976 40 10 HJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cc(C)ccn1 ZINC000222620758 568521086 /nfs/dbraw/zinc/52/10/86/568521086.db2.gz IQXRNQKYNDXZHK-USCONSEESA-N 0 0 403.555 4.782 40 10 HJCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3OC)N21 ZINC000222677322 568523352 /nfs/dbraw/zinc/52/33/52/568523352.db2.gz JGJQYFASUVSPRI-WQTXXOFMSA-N 0 0 408.571 4.670 40 10 HJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(OC)c3)N21 ZINC000222679807 568523439 /nfs/dbraw/zinc/52/34/39/568523439.db2.gz GAFCFUAEPZYHAF-VOQZNFBZSA-N 0 0 408.571 4.670 40 10 HJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(C)cn1 ZINC000222838116 568527951 /nfs/dbraw/zinc/52/79/51/568527951.db2.gz UZSTYKZLXNPFRB-YADHBBJMSA-N 0 0 405.571 4.573 40 10 HJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000222883373 568529478 /nfs/dbraw/zinc/52/94/78/568529478.db2.gz FVAJINXIYXKTAB-YADHBBJMSA-N 0 0 405.571 4.575 40 10 HJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1O ZINC000222921352 568530908 /nfs/dbraw/zinc/53/09/08/568530908.db2.gz MZCGQNNEJPVSIJ-PKTZIBPZSA-N 0 0 420.582 4.823 40 10 HJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ncccc1C ZINC000222928251 568531278 /nfs/dbraw/zinc/53/12/78/568531278.db2.gz SOXXLJKZMAJXNW-VXKWHMMOSA-N 0 0 419.598 4.821 40 10 HJCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000222972850 568532733 /nfs/dbraw/zinc/53/27/33/568532733.db2.gz NMZICGJSIYTZSE-YADHBBJMSA-N 0 0 419.598 4.965 40 10 HJCBRN Cc1cc(NC(=S)NCc2ccc(N3CCCCC3)cc2)ccc1N1CCCC1=O ZINC000225418410 568635944 /nfs/dbraw/zinc/63/59/44/568635944.db2.gz OZMBFUGUDNWUEV-UHFFFAOYSA-N 0 0 422.598 4.599 40 10 HJCBRN COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225664333 568661634 /nfs/dbraw/zinc/66/16/34/568661634.db2.gz RREHEJJICIKWJN-QGZVFWFLSA-N 0 0 411.571 4.820 40 10 HJCBRN CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c(C)c1 ZINC000225696008 568665237 /nfs/dbraw/zinc/66/52/37/568665237.db2.gz IOJAAWGJQWWGPQ-QGZVFWFLSA-N 0 0 411.571 4.820 40 10 HJCBRN C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225809581 568676454 /nfs/dbraw/zinc/67/64/54/568676454.db2.gz BUJADCVLZRGEIV-RTWAWAEBSA-N 0 0 406.570 4.849 40 10 HJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000059514305 568708689 /nfs/dbraw/zinc/70/86/89/568708689.db2.gz CYSUWRRAHWMLMR-OQLLNIDSSA-N 0 0 406.872 4.663 40 10 HJCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000059516195 568709053 /nfs/dbraw/zinc/70/90/53/568709053.db2.gz WJDVZPPINAXDHP-AQTBWJFISA-N 0 0 412.283 4.716 40 10 HJCBRN COc1ccc(N2CCC([N@H+](CC(=O)[O-])Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000257208888 568778659 /nfs/dbraw/zinc/77/86/59/568778659.db2.gz BNYFEGTZURQZBD-UHFFFAOYSA-N 0 0 423.340 4.558 40 10 HJCBRN COc1ccc2c(/C=C3\SC(=S)N(c4ccc(NC(C)=O)cc4)C3=O)c[nH]c2c1 ZINC000054360808 569072242 /nfs/dbraw/zinc/07/22/42/569072242.db2.gz SSAGDPIYFOQWQW-OCKHKDLRSA-N 0 0 423.519 4.541 40 10 HJCBRN COc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1 ZINC000007379198 569337522 /nfs/dbraw/zinc/33/75/22/569337522.db2.gz FDMGDYLWAOAXHI-UHFFFAOYSA-N 0 0 412.873 4.552 40 10 HJCBRN CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208321629 569361508 /nfs/dbraw/zinc/36/15/08/569361508.db2.gz LOGAWBCRGIZQNP-RHTHQAGFSA-N 0 0 403.526 4.892 40 10 HJCBRN