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(C)C[N@H+](Cc1ccccc1)Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001573293702 946965240 /nfs/dbraw/zinc/96/52/40/946965240.db2.gz GZZTUXYDMLETCP-UHFFFAOYSA-N 0 3 333.439 3.753 20 30 EHEDHN C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001573293702 946965249 /nfs/dbraw/zinc/96/52/49/946965249.db2.gz GZZTUXYDMLETCP-UHFFFAOYSA-N 0 3 333.439 3.753 20 30 EHEDHN Cn1cc(CN2CC[C@H](Sc3cccc(Cl)c3)C2)cc1C#N ZINC000430195517 1014790449 /nfs/dbraw/zinc/79/04/49/1014790449.db2.gz JAEDYNCWJCBQSS-KRWDZBQOSA-N 0 3 331.872 3.917 20 30 EHEDHN C[C@H](CC1CCCC1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000510085826 1014882075 /nfs/dbraw/zinc/88/20/75/1014882075.db2.gz BGGXRRCQGNAESH-QGZVFWFLSA-N 0 3 341.499 3.665 20 30 EHEDHN Cc1nsc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000342822938 1015425076 /nfs/dbraw/zinc/42/50/76/1015425076.db2.gz GGSZCSSAPIRTRH-CXAGYDPISA-N 0 3 326.469 3.646 20 30 EHEDHN C=CCCCCCCCCN1CC[C@@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001209444319 1016302197 /nfs/dbraw/zinc/30/21/97/1016302197.db2.gz PGUGWJDLJHYUMY-RTBURBONSA-N 0 3 344.503 3.516 20 30 EHEDHN Cn1cc(CN[C@H](c2ccccc2)C2(CO)CCCCC2)cc1C#N ZINC000414527187 1016953115 /nfs/dbraw/zinc/95/31/15/1016953115.db2.gz MKILLJKHTIYGRV-HXUWFJFHSA-N 0 3 337.467 3.670 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000538319604 1032292697 /nfs/dbraw/zinc/29/26/97/1032292697.db2.gz ACVROFOBAALZCZ-BEFAXECRSA-N 0 3 330.447 3.764 20 30 EHEDHN COc1cccc([C@H](C/N=C\c2cc(Cl)ccc2O)N(C)C)c1 ZINC000255588442 1032306022 /nfs/dbraw/zinc/30/60/22/1032306022.db2.gz OQDKXIWLUVTGAZ-BCUAHEQISA-N 0 3 332.831 3.776 20 30 EHEDHN CCOc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1OCC(C)C ZINC000905082909 1032334415 /nfs/dbraw/zinc/33/44/15/1032334415.db2.gz YIBZFNTVTUHVCE-PBTLCFMXSA-N 0 3 341.411 3.553 20 30 EHEDHN CC1/C(=C\c2cc(Cl)ccc2OCC2CC2)C(=O)c2ncnn21 ZINC000905087673 1032335565 /nfs/dbraw/zinc/33/55/65/1032335565.db2.gz YMELIOQMEPIVSZ-UQDQQJHMSA-N 0 3 329.787 3.561 20 30 EHEDHN CC1/C(=C/c2cc(Cl)ccc2OCC2CC2)C(=O)c2ncnn21 ZINC000905087672 1032336945 /nfs/dbraw/zinc/33/69/45/1032336945.db2.gz YMELIOQMEPIVSZ-QOUOVQQFSA-N 0 3 329.787 3.561 20 30 EHEDHN C=CCCCC[C@@H](C)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000449293711 1032435028 /nfs/dbraw/zinc/43/50/28/1032435028.db2.gz JAEJVZVOSWUGIB-DOMZBBRYSA-N 0 3 339.277 3.700 20 30 EHEDHN CN(C)[C@@H](CNc1nc2ccccn2c1C#N)c1ccc(Cl)cc1 ZINC000541113016 1017205438 /nfs/dbraw/zinc/20/54/38/1017205438.db2.gz KTHSJYCHVWNXSP-INIZCTEOSA-N 0 3 339.830 3.574 20 30 EHEDHN C=CC[C@@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC001167719116 1018059349 /nfs/dbraw/zinc/05/93/49/1018059349.db2.gz AKSIDWKOFXESLR-GHTZIAJQSA-N 0 3 340.511 3.754 20 30 EHEDHN CC(C)[C@@H](NCc1cc(C#N)cs1)c1ccc2c(c1)OCCO2 ZINC000177681831 1018382450 /nfs/dbraw/zinc/38/24/50/1018382450.db2.gz DXJBZSNTBDPMDQ-GOSISDBHSA-N 0 3 328.437 3.878 20 30 EHEDHN N#Cc1csc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000177689018 1018459874 /nfs/dbraw/zinc/45/98/74/1018459874.db2.gz UBFSEYBGMOLHBD-GOSISDBHSA-N 0 3 326.421 3.632 20 30 EHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597923229 1032771771 /nfs/dbraw/zinc/77/17/71/1032771771.db2.gz NGSXSDIXCQKZEW-AWEZNQCLSA-N 0 3 341.480 3.684 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(C2CC2)cc1 ZINC000419356522 1018809329 /nfs/dbraw/zinc/80/93/29/1018809329.db2.gz OJOOBSSTQCEPOC-SIFCLUCFSA-N 0 3 327.472 3.658 20 30 EHEDHN N#CC(C(=O)CCc1ccoc1)c1nc2ccccc2n1C(F)F ZINC000175947571 1019388847 /nfs/dbraw/zinc/38/88/47/1019388847.db2.gz WIZMWXZIJQYWKP-LBPRGKRZSA-N 0 3 329.306 3.833 20 30 EHEDHN N#Cc1cccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183167624 1020461342 /nfs/dbraw/zinc/46/13/42/1020461342.db2.gz NVUCENPRLBBURL-UHFFFAOYSA-N 0 3 334.345 3.611 20 30 EHEDHN N#Cc1cccc(CNC[C@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000602499590 1032926276 /nfs/dbraw/zinc/92/62/76/1032926276.db2.gz QNRBDLTZTJWGKO-LJQANCHMSA-N 0 3 340.858 3.533 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c(OC)c1 ZINC000430604367 1020929833 /nfs/dbraw/zinc/92/98/33/1020929833.db2.gz PZCSSAVGAYRLRW-ZDUSSCGKSA-N 0 3 344.436 3.948 20 30 EHEDHN Cc1cccc([C@H](C)N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000518426799 1021174984 /nfs/dbraw/zinc/17/49/84/1021174984.db2.gz LXOVXHRCEQNCMJ-OXJNMPFZSA-N 0 3 333.435 3.631 20 30 EHEDHN CCc1ccc(CN(CC(C)C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000602526542 1032961910 /nfs/dbraw/zinc/96/19/10/1032961910.db2.gz DKXURWDHRSGLKM-LJQANCHMSA-N 0 3 329.488 3.645 20 30 EHEDHN CC(C)c1ccc2c(c1)[C@@H](NCc1cnc3c(C#N)cnn3c1)CCC2 ZINC000592508392 1032979968 /nfs/dbraw/zinc/97/99/68/1032979968.db2.gz XYISOFSQSRKCOC-FQEVSTJZSA-N 0 3 345.450 3.892 20 30 EHEDHN CN(CCOc1ccc(Cl)cc1)CCOc1ccc(C#N)cc1 ZINC000058829836 1032986594 /nfs/dbraw/zinc/98/65/94/1032986594.db2.gz NHICTFFBOHTZBB-UHFFFAOYSA-N 0 3 330.815 3.601 20 30 EHEDHN CCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(CC)cc2)s1 ZINC000140322376 1021540134 /nfs/dbraw/zinc/54/01/34/1021540134.db2.gz IGSKVWXWPGHOII-AWEZNQCLSA-N 0 3 341.436 3.538 20 30 EHEDHN C#C[C@H](NC1CC(CF)(CF)C1)c1ccc(Br)cc1 ZINC000894871468 1021548540 /nfs/dbraw/zinc/54/85/40/1021548540.db2.gz VLJJYPXCLRVSKV-AWEZNQCLSA-N 0 3 328.200 3.801 20 30 EHEDHN CCOc1cc(Cl)ccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602581760 1033001324 /nfs/dbraw/zinc/00/13/24/1033001324.db2.gz KVMBDXPGBQACKX-AWEZNQCLSA-N 0 3 336.863 3.927 20 30 EHEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000520172726 1021985008 /nfs/dbraw/zinc/98/50/08/1021985008.db2.gz WJXGAOFHIOCZME-OAQYLSRUSA-N 0 3 347.462 3.574 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000602604540 1033022288 /nfs/dbraw/zinc/02/22/88/1033022288.db2.gz YPLYKPCAHSQJBF-AZUAARDMSA-N 0 3 347.462 3.966 20 30 EHEDHN C[C@@H]1CCCC[C@H]1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000520394007 1022184533 /nfs/dbraw/zinc/18/45/33/1022184533.db2.gz VYIKONBIZWYUOT-XLIONFOSSA-N 0 3 341.499 3.665 20 30 EHEDHN N#CC(C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12)c1nc2ccccc2[nH]1 ZINC000528907291 1033051837 /nfs/dbraw/zinc/05/18/37/1033051837.db2.gz DYBSNCBGVSAYAW-QIZIZJAASA-N 0 3 347.805 3.978 20 30 EHEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051322715 1022488595 /nfs/dbraw/zinc/48/85/95/1022488595.db2.gz MIVHNGPQSWFAGP-KRWDZBQOSA-N 0 3 334.341 3.742 20 30 EHEDHN COC(=O)c1[nH]c(CN[C@@H](CCCC#N)c2ccccc2)cc1C ZINC000602668260 1033064746 /nfs/dbraw/zinc/06/47/46/1033064746.db2.gz DLHWGBMQHFRDMG-KRWDZBQOSA-N 0 3 325.412 3.635 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CC(C)(C)OC3(C)C)nc21 ZINC000528953805 1033146724 /nfs/dbraw/zinc/14/67/24/1033146724.db2.gz NZVVFCXMBJKPCQ-OLZOCXBDSA-N 0 3 325.412 3.641 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CC(C)(C)OC3(C)C)[nH]c21 ZINC000528953805 1033146738 /nfs/dbraw/zinc/14/67/38/1033146738.db2.gz NZVVFCXMBJKPCQ-OLZOCXBDSA-N 0 3 325.412 3.641 20 30 EHEDHN CC(C)N(C(=O)CCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594053757 1033153533 /nfs/dbraw/zinc/15/35/33/1033153533.db2.gz ALDRJFNSYXBLBU-LJQANCHMSA-N 0 3 327.472 3.582 20 30 EHEDHN CC[C@@H]1CN(CC2(CC#N)CC2)[C@H](CC)CN1CC1(CC#N)CC1 ZINC000602796282 1033170080 /nfs/dbraw/zinc/17/00/80/1033170080.db2.gz XCLMOQDTGBCFGD-QZTJIDSGSA-N 0 3 328.504 3.549 20 30 EHEDHN Cc1ccccc1[C@H]1C[C@H]([NH+]=C([O-])N2CCC(c3c[nH]cn3)CC2)C1 ZINC000329806304 1024202509 /nfs/dbraw/zinc/20/25/09/1024202509.db2.gz NWGQHAAKMZGYCC-QAQDUYKDSA-N 0 3 338.455 3.758 20 30 EHEDHN Cc1ccccc1-n1cc(C(=O)NC[C@H]2CCCCN2C2CC2)cn1 ZINC000329959544 1024265404 /nfs/dbraw/zinc/26/54/04/1024265404.db2.gz QRAXMCVVXARURZ-GOSISDBHSA-N 0 3 338.455 3.502 20 30 EHEDHN N#CC(C(=O)CCc1ccccn1)c1nc2ccccc2n1C(F)F ZINC000178987869 1024268381 /nfs/dbraw/zinc/26/83/81/1024268381.db2.gz DRIIUOZZZDMPFQ-CYBMUJFWSA-N 0 3 340.333 3.635 20 30 EHEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000330221996 1024359975 /nfs/dbraw/zinc/35/99/75/1024359975.db2.gz RLHRIOABLSAJIH-OKYOBFRVSA-N 0 3 344.503 3.929 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2sc3nccc(C)c3c2C)CC1 ZINC000520682870 1024419601 /nfs/dbraw/zinc/41/96/01/1024419601.db2.gz VHDQLUCTWCLASI-UHFFFAOYSA-N 0 3 343.496 3.683 20 30 EHEDHN C[C@@H]1CN(CCCSc2ccccc2Cl)C[C@H](C)N1CC#N ZINC000602858854 1033210526 /nfs/dbraw/zinc/21/05/26/1033210526.db2.gz VTNILNQTULRFGG-GASCZTMLSA-N 0 3 337.920 3.740 20 30 EHEDHN C[C@@H]1CN(CCCSc2ccccc2Cl)C[C@@H](C)N1CC#N ZINC000602858868 1033210547 /nfs/dbraw/zinc/21/05/47/1033210547.db2.gz VTNILNQTULRFGG-HUUCEWRRSA-N 0 3 337.920 3.740 20 30 EHEDHN CN(CCN(Cc1ccccc1)CC1(C#N)CC1)Cc1ccccc1 ZINC000343318859 1024430450 /nfs/dbraw/zinc/43/04/50/1024430450.db2.gz YWLUGSSMGJBEKD-UHFFFAOYSA-N 0 3 333.479 3.924 20 30 EHEDHN C[C@@H]1CN(CCCc2ccc(C(F)(F)F)cc2)C[C@@H](C)N1CC#N ZINC000602859710 1033211050 /nfs/dbraw/zinc/21/10/50/1033211050.db2.gz GMCXOWFOUQAVRV-HUUCEWRRSA-N 0 3 339.405 3.556 20 30 EHEDHN C[C@H]1CN(CCCc2ccc(C(F)(F)F)cc2)C[C@H](C)N1CC#N ZINC000602859708 1033212968 /nfs/dbraw/zinc/21/29/68/1033212968.db2.gz GMCXOWFOUQAVRV-GJZGRUSLSA-N 0 3 339.405 3.556 20 30 EHEDHN C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000522418999 1024535770 /nfs/dbraw/zinc/53/57/70/1024535770.db2.gz YEHSYLOANYILCG-PKOBYXMFSA-N 0 3 339.483 3.549 20 30 EHEDHN C=CCc1cc(CN(C)CCOc2ccccc2)cc(OC)c1O ZINC000434981127 1024538552 /nfs/dbraw/zinc/53/85/52/1024538552.db2.gz IOMNQKRTIMMWKB-UHFFFAOYSA-N 0 3 327.424 3.640 20 30 EHEDHN COc1ccc([C@H](CNc2ncccc2C#N)N2CCCCC2)cc1 ZINC000024107154 1024594828 /nfs/dbraw/zinc/59/48/28/1024594828.db2.gz ZOTSAUSMGOLWJV-IBGZPJMESA-N 0 3 336.439 3.601 20 30 EHEDHN CCC[C@@]1(C)CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001167509516 1024773389 /nfs/dbraw/zinc/77/33/89/1024773389.db2.gz OKWDHUPTQAZAND-FPOVZHCZSA-N 0 3 339.483 3.956 20 30 EHEDHN CCC[C@]1(C)CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001167509518 1024774937 /nfs/dbraw/zinc/77/49/37/1024774937.db2.gz OKWDHUPTQAZAND-TZIWHRDSSA-N 0 3 339.483 3.956 20 30 EHEDHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000548630807 1024905870 /nfs/dbraw/zinc/90/58/70/1024905870.db2.gz RXXTZJWAFLRXJP-UHFFFAOYSA-N 0 3 347.890 3.796 20 30 EHEDHN C=CCS(=O)(=O)CCN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000783531924 1025120557 /nfs/dbraw/zinc/12/05/57/1025120557.db2.gz NSUQXQVAIKAPEY-OAHLLOKOSA-N 0 3 349.418 3.593 20 30 EHEDHN C=CCC[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000435758497 1025134762 /nfs/dbraw/zinc/13/47/62/1025134762.db2.gz GBPBBUAJDZCRKF-HXUWFJFHSA-N 0 3 341.499 3.964 20 30 EHEDHN CCCCCCCOc1cccc(CN[C@@H]2CCCN(C)C2=O)c1 ZINC001203156490 1025150824 /nfs/dbraw/zinc/15/08/24/1025150824.db2.gz ZZACEVHMUWBZJC-LJQANCHMSA-N 0 3 332.488 3.746 20 30 EHEDHN C#CCCOc1ccc(CN2CCC(Nc3ccccn3)CC2)cc1 ZINC000896198245 1025227928 /nfs/dbraw/zinc/22/79/28/1025227928.db2.gz MVGYHSDFQFINLD-UHFFFAOYSA-N 0 3 335.451 3.560 20 30 EHEDHN C=CCCn1cc(CNCCCc2cccc(C(F)(F)F)c2)nn1 ZINC000657331269 1025229688 /nfs/dbraw/zinc/22/96/88/1025229688.db2.gz WDKTVDXIZQCIES-UHFFFAOYSA-N 0 3 338.377 3.595 20 30 EHEDHN CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](CC)c1ccccc1 ZINC000521193950 1025253951 /nfs/dbraw/zinc/25/39/51/1025253951.db2.gz ZLIAIPMNXBLZQA-QUCCMNQESA-N 0 3 329.488 3.904 20 30 EHEDHN N#CC1(NC(=O)CN[C@H](CCc2ccccc2)c2ccccc2)CCC1 ZINC000346951930 1025347629 /nfs/dbraw/zinc/34/76/29/1025347629.db2.gz UXNZNOQAZZGZKP-HXUWFJFHSA-N 0 3 347.462 3.513 20 30 EHEDHN COc1cc(CN[C@@H](C)c2cc(OC)c(OC)cc2C)ccc1C#N ZINC000281761376 1025451475 /nfs/dbraw/zinc/45/14/75/1025451475.db2.gz RQSXLJKRBTWXKZ-AWEZNQCLSA-N 0 3 340.423 3.743 20 30 EHEDHN CC(C)Oc1cccc([C@@H](C)NCc2cnc3ccc(C#N)cn23)c1 ZINC000551787649 1025458084 /nfs/dbraw/zinc/45/80/84/1025458084.db2.gz KDXMNCNWOVZUFX-OAHLLOKOSA-N 0 3 334.423 3.844 20 30 EHEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000897990916 1033284668 /nfs/dbraw/zinc/28/46/68/1033284668.db2.gz GXTSBRALWWTSSJ-OXQOHEQNSA-N 0 3 335.451 3.596 20 30 EHEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1CCC(=O)N1 ZINC000329046901 1025578714 /nfs/dbraw/zinc/57/87/14/1025578714.db2.gz JSQLGIFASJFTDR-SJORKVTESA-N 0 3 343.471 3.535 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000118399115 1025600542 /nfs/dbraw/zinc/60/05/42/1025600542.db2.gz DQEPSQKOVQOORO-MRXNPFEDSA-N 0 3 339.483 3.780 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000425532450 1025659603 /nfs/dbraw/zinc/65/96/03/1025659603.db2.gz BSPHURISBCWZBB-RDTXWAMCSA-N 0 3 344.842 3.644 20 30 EHEDHN COc1cc(C#N)ccc1CN(Cc1ccccc1)[C@@H](CO)C(C)C ZINC000347260467 1025755949 /nfs/dbraw/zinc/75/59/49/1025755949.db2.gz NGDGCDQQOBCJAS-FQEVSTJZSA-N 0 3 338.451 3.586 20 30 EHEDHN COC(=O)c1sccc1CNC(C)(C)Cc1ccc(C#N)cc1 ZINC000896633073 1025764601 /nfs/dbraw/zinc/76/46/01/1025764601.db2.gz OOCQYEZXOYNBEF-UHFFFAOYSA-N 0 3 328.437 3.517 20 30 EHEDHN N#CCc1ccc(CN[C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1 ZINC000451310524 1025790740 /nfs/dbraw/zinc/79/07/40/1025790740.db2.gz RPXPVKBTJFPDFS-SFHVURJKSA-N 0 3 348.368 3.985 20 30 EHEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCOC12CCCC2 ZINC000934399059 1026001947 /nfs/dbraw/zinc/00/19/47/1026001947.db2.gz ZIOCIMUZIJVLCY-QGZVFWFLSA-N 0 3 346.496 3.595 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cncc(F)c2)cc1 ZINC000151605363 1026098677 /nfs/dbraw/zinc/09/86/77/1026098677.db2.gz ARVJCHKJVWKACM-QGZVFWFLSA-N 0 3 339.370 3.524 20 30 EHEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]2C1 ZINC000451692211 1026233998 /nfs/dbraw/zinc/23/39/98/1026233998.db2.gz DSDVOHWHBOPUBK-XYJFISCASA-N 0 3 337.385 3.540 20 30 EHEDHN CCN(C(=O)c1ccc(C#N)cc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186331085 1026506530 /nfs/dbraw/zinc/50/65/30/1026506530.db2.gz VXMJFKLOKPMLEG-HXUWFJFHSA-N 0 3 347.462 3.603 20 30 EHEDHN C=CCN1CCC(Nc2ncnc3sc4c(c32)CCCC4)CC1 ZINC000301159602 1026705931 /nfs/dbraw/zinc/70/59/31/1026705931.db2.gz FFLYLVZENXOQON-UHFFFAOYSA-N 0 3 328.485 3.632 20 30 EHEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000046528667 1027657406 /nfs/dbraw/zinc/65/74/06/1027657406.db2.gz DUNLYPRBLDSGAW-OAQYLSRUSA-N 0 3 346.430 3.583 20 30 EHEDHN CC(C)(C)c1ccc(-c2cc(NC(=O)[C@H](N)CCCC#N)on2)cc1 ZINC000582782591 1027690093 /nfs/dbraw/zinc/69/00/93/1027690093.db2.gz CZVBOUQSAWRWPL-OAHLLOKOSA-N 0 3 340.427 3.599 20 30 EHEDHN C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC000444676058 1028146164 /nfs/dbraw/zinc/14/61/64/1028146164.db2.gz PIPXEZQLIGPGOL-QGZVFWFLSA-N 0 3 330.435 3.960 20 30 EHEDHN C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCc1ccc(C#N)s1 ZINC000421354117 1028297806 /nfs/dbraw/zinc/29/78/06/1028297806.db2.gz VNGVHCCGOROPCP-NSHDSACASA-N 0 3 333.844 3.780 20 30 EHEDHN N#Cc1ccc(CNC[C@@H](c2ccco2)N2CCCCC2)cc1F ZINC000421337784 1028306884 /nfs/dbraw/zinc/30/68/84/1028306884.db2.gz ZYYKDVDYSWGFIR-SFHVURJKSA-N 0 3 327.403 3.607 20 30 EHEDHN Cc1ccc(NC(=O)C[C@H](C)NCc2ccc(C#N)s2)c(C)c1 ZINC000421356112 1028342361 /nfs/dbraw/zinc/34/23/61/1028342361.db2.gz WBHDOKJTYAHZBQ-AWEZNQCLSA-N 0 3 327.453 3.744 20 30 EHEDHN C=CCCC[C@H](C)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000091513957 1028357444 /nfs/dbraw/zinc/35/74/44/1028357444.db2.gz UTHDDEDKVFECOP-IRXDYDNUSA-N 0 3 347.478 3.515 20 30 EHEDHN COc1cc(CNCc2ccc(F)cc2CSC)ccc1C#N ZINC000440632371 1028472931 /nfs/dbraw/zinc/47/29/31/1028472931.db2.gz CTKCAVQWGDHTML-UHFFFAOYSA-N 0 3 330.428 3.859 20 30 EHEDHN C=C(C)[C@@H](CC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)OCC ZINC000533714720 1028576862 /nfs/dbraw/zinc/57/68/62/1028576862.db2.gz PADMTXMBLVLOEJ-WOJBJXKFSA-N 0 3 344.499 3.619 20 30 EHEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000583028498 1028587465 /nfs/dbraw/zinc/58/74/65/1028587465.db2.gz PROXASHEQGNASM-JMERFSKESA-N 0 3 337.379 3.509 20 30 EHEDHN C=CCc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(OC)c1OC ZINC000073975351 1028589730 /nfs/dbraw/zinc/58/97/30/1028589730.db2.gz SEAHSJNOLQKOCP-CQSZACIVSA-N 0 3 342.420 3.687 20 30 EHEDHN C=CCc1cc(C(=O)C(C#N)c2nc(C)cs2)cc(OC)c1OC ZINC000073975351 1028589740 /nfs/dbraw/zinc/58/97/40/1028589740.db2.gz SEAHSJNOLQKOCP-CQSZACIVSA-N 0 3 342.420 3.687 20 30 EHEDHN CCN(CCC#N)C(=O)CN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000245482482 1028729407 /nfs/dbraw/zinc/72/94/07/1028729407.db2.gz ZIGWWKFJGIMCJW-LSDHHAIUSA-N 0 3 335.879 3.526 20 30 EHEDHN CC(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424116316 1028813188 /nfs/dbraw/zinc/81/31/88/1028813188.db2.gz XIOZPDVTNYRPJF-LSDHHAIUSA-N 0 3 341.377 3.540 20 30 EHEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000424146663 1028833775 /nfs/dbraw/zinc/83/37/75/1028833775.db2.gz PYAADJPBJBGKBI-HNNXBMFYSA-N 0 3 339.443 3.570 20 30 EHEDHN C=CCn1cc(CN[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)nn1 ZINC000424294164 1028935915 /nfs/dbraw/zinc/93/59/15/1028935915.db2.gz JXPIMHNKIKHJCT-WBVHZDCISA-N 0 3 330.863 3.934 20 30 EHEDHN COc1ccc(C#N)cc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183687507 1029102725 /nfs/dbraw/zinc/10/27/25/1029102725.db2.gz BWUGVSAWWTVWOA-OAHLLOKOSA-N 0 3 346.434 3.912 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCOc2ccccc2)c1 ZINC000127666094 1029154507 /nfs/dbraw/zinc/15/45/07/1029154507.db2.gz KPLHUGSKXQCOKB-GOSISDBHSA-N 0 3 336.391 3.502 20 30 EHEDHN COCCN(CCCc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000533004602 1029165565 /nfs/dbraw/zinc/16/55/65/1029165565.db2.gz PEHZMTLBIUQJQU-UHFFFAOYSA-N 0 3 338.451 3.648 20 30 EHEDHN N#Cc1ccc(CNCCOc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000533311846 1029595788 /nfs/dbraw/zinc/59/57/88/1029595788.db2.gz HOSJZVHGFQSTRO-UHFFFAOYSA-N 0 3 338.304 3.885 20 30 EHEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCc2ccccc2C1 ZINC000525783799 1030121605 /nfs/dbraw/zinc/12/16/05/1030121605.db2.gz VIMADJAOZKXERF-LJQANCHMSA-N 0 3 344.418 3.598 20 30 EHEDHN CCC[C@]1(COC)CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000447387759 1030177993 /nfs/dbraw/zinc/17/79/93/1030177993.db2.gz UUODKYISHXRDSB-GOSISDBHSA-N 0 3 338.398 3.941 20 30 EHEDHN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)c1ccc(C#N)cc1 ZINC000453368984 1030185989 /nfs/dbraw/zinc/18/59/89/1030185989.db2.gz NEDJXJQSOUHJMW-VLQPXKRTSA-N 0 3 338.455 3.603 20 30 EHEDHN CC[C@H](NCc1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000447531676 1030264190 /nfs/dbraw/zinc/26/41/90/1030264190.db2.gz SIFDAVFAMDLKAE-FQEVSTJZSA-N 0 3 333.435 3.926 20 30 EHEDHN C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1[O-] ZINC000091956542 1030347780 /nfs/dbraw/zinc/34/77/80/1030347780.db2.gz AMXUNJAYASCEHX-UHFFFAOYSA-N 0 3 346.434 3.801 20 30 EHEDHN C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1[O-] ZINC000091956542 1030347799 /nfs/dbraw/zinc/34/77/99/1030347799.db2.gz AMXUNJAYASCEHX-UHFFFAOYSA-N 0 3 346.434 3.801 20 30 EHEDHN C=CCOc1ccccc1CNCc1ccccc1-c1cnn(C)c1 ZINC000536096348 1030394452 /nfs/dbraw/zinc/39/44/52/1030394452.db2.gz RZUVTMVCBZBNTI-UHFFFAOYSA-N 0 3 333.435 3.942 20 30 EHEDHN COc1cc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cc(OC)c1 ZINC000160149336 1030563638 /nfs/dbraw/zinc/56/36/38/1030563638.db2.gz DTCFBHCENWTYCH-AWEZNQCLSA-N 0 3 345.424 3.530 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000171729674 1030811594 /nfs/dbraw/zinc/81/15/94/1030811594.db2.gz XBAGDOTXLCXDDE-UHFFFAOYSA-N 0 3 332.444 3.811 20 30 EHEDHN CN(CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCC(C)(C)C1 ZINC000483110841 1030974385 /nfs/dbraw/zinc/97/43/85/1030974385.db2.gz MGWSOQZBBQJWPM-CQSZACIVSA-N 0 3 331.485 3.751 20 30 EHEDHN CN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CCC(C)(C)C1 ZINC000483110840 1030974487 /nfs/dbraw/zinc/97/44/87/1030974487.db2.gz MGWSOQZBBQJWPM-AWEZNQCLSA-N 0 3 331.485 3.751 20 30 EHEDHN C=CCSc1ccccc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000584012074 1031416325 /nfs/dbraw/zinc/41/63/25/1031416325.db2.gz YCSALXCEFFGMMR-SOLBZPMBSA-N 0 3 344.524 3.767 20 30 EHEDHN C=CCC[C@H](NCCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000178757688 1031704908 /nfs/dbraw/zinc/70/49/08/1031704908.db2.gz ZOONPSOQFDGMRU-IBGZPJMESA-N 0 3 329.465 3.757 20 30 EHEDHN CN(C)C[C@H](Nc1cccc(C#N)n1)c1ccc(Cl)c(Cl)c1 ZINC000528211183 1031911044 /nfs/dbraw/zinc/91/10/44/1031911044.db2.gz FDFYMGJFLYPBNI-HNNXBMFYSA-N 0 3 335.238 3.975 20 30 EHEDHN CN(C(=O)[C@H](N)CCCCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000594432107 1033368709 /nfs/dbraw/zinc/36/87/09/1033368709.db2.gz XXTSKNSJTBGJAC-LJQANCHMSA-N 0 3 337.423 3.853 20 30 EHEDHN CC(C)Cc1ccc([C@@H](NC(=O)[C@@H](N)CCCCC#N)C2CC2)cc1 ZINC000594436591 1033372313 /nfs/dbraw/zinc/37/23/13/1033372313.db2.gz KVPXHMDLNCDDCT-VQTJNVASSA-N 0 3 341.499 3.864 20 30 EHEDHN Cc1csc(Nc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2)n1 ZINC000594433519 1033372750 /nfs/dbraw/zinc/37/27/50/1033372750.db2.gz GCMWTEIAYFUPTQ-HNNXBMFYSA-N 0 3 343.456 3.545 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000594446528 1033377004 /nfs/dbraw/zinc/37/70/04/1033377004.db2.gz UWQVQDYMDPYEKA-GOSISDBHSA-N 0 3 349.425 3.647 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000594446163 1033378440 /nfs/dbraw/zinc/37/84/40/1033378440.db2.gz QWOJDPKLZLZHCV-KBPBESRZSA-N 0 3 340.254 3.508 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000594456844 1033380294 /nfs/dbraw/zinc/38/02/94/1033380294.db2.gz TVIZGSVKRHWNNV-LEWJYISDSA-N 0 3 347.462 3.868 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000594426803 1033388024 /nfs/dbraw/zinc/38/80/24/1033388024.db2.gz FMVBKHDTORHHIG-QZTJIDSGSA-N 0 3 331.435 3.584 20 30 EHEDHN CC(C)c1ccc(CN(C(=O)[C@@H](N)CCCCC#N)C2CC2)cc1 ZINC000594427665 1033389572 /nfs/dbraw/zinc/38/95/72/1033389572.db2.gz VXGBEEJHVHPTKT-IBGZPJMESA-N 0 3 327.472 3.712 20 30 EHEDHN Cn1c2ccc(CNC3(c4ccc(C#N)cc4)CCC3)cc2sc1=O ZINC000594522562 1033428492 /nfs/dbraw/zinc/42/84/92/1033428492.db2.gz ZUDDZOYWOXJQCU-UHFFFAOYSA-N 0 3 349.459 3.641 20 30 EHEDHN N#CC1(c2ccc(CNCc3ccc4c(c3)OC(F)(F)O4)cc2)CC1 ZINC000594952197 1033596379 /nfs/dbraw/zinc/59/63/79/1033596379.db2.gz YGGJBTPFXRLFQS-UHFFFAOYSA-N 0 3 342.345 3.853 20 30 EHEDHN C[C@@H](NCC1(C(=O)OC(C)(C)C)CCC1)c1ccc(C#N)cc1F ZINC000595098764 1033688371 /nfs/dbraw/zinc/68/83/71/1033688371.db2.gz HPZAHJRBGNKKLI-CYBMUJFWSA-N 0 3 332.419 3.860 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C3CCCC3)CC2)CC1 ZINC000608672288 1033825497 /nfs/dbraw/zinc/82/54/97/1033825497.db2.gz KHXZKODZAZNNHF-UHFFFAOYSA-N 0 3 333.520 3.639 20 30 EHEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cc(F)c(Cl)cc1Cl ZINC000599345078 1033879994 /nfs/dbraw/zinc/87/99/94/1033879994.db2.gz LPJDIDRPBNVZMQ-UWVGGRQHSA-N 0 3 331.218 3.838 20 30 EHEDHN Cc1ccc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)cc1C#N ZINC000599367194 1033906154 /nfs/dbraw/zinc/90/61/54/1033906154.db2.gz BZSFEWJKWOHCCX-UHFFFAOYSA-N 0 3 338.426 3.575 20 30 EHEDHN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000174398479 1033936543 /nfs/dbraw/zinc/93/65/43/1033936543.db2.gz YAPMIIDSIOGBLB-GOSISDBHSA-N 0 3 335.448 3.570 20 30 EHEDHN C=CCCN[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000658116275 1033948348 /nfs/dbraw/zinc/94/83/48/1033948348.db2.gz IDDQGMMMSQRQIW-NSHDSACASA-N 0 3 335.249 3.565 20 30 EHEDHN N#Cc1ccc(CN2CCN([C@H]3CCCc4ccccc43)CC2)cc1 ZINC000603847155 1033970951 /nfs/dbraw/zinc/97/09/51/1033970951.db2.gz RKGIBBADOINGMP-QFIPXVFZSA-N 0 3 331.463 3.753 20 30 EHEDHN COCC1(NCc2cc(C#N)ccc2Br)CCCCC1 ZINC000595909130 1034026755 /nfs/dbraw/zinc/02/67/55/1034026755.db2.gz MPQHAQSRJPBBDC-UHFFFAOYSA-N 0 3 337.261 3.760 20 30 EHEDHN C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)[C@@H](N)CCCC#N ZINC000595994601 1034042337 /nfs/dbraw/zinc/04/23/37/1034042337.db2.gz UEGNEWYTNZOKJG-RBBKRZOGSA-N 0 3 349.478 3.785 20 30 EHEDHN C=CCN1CC[C@@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1=O ZINC000282079020 1034044926 /nfs/dbraw/zinc/04/49/26/1034044926.db2.gz UIAIPUKUHGBUHD-HZPDHXFCSA-N 0 3 338.373 3.533 20 30 EHEDHN CC[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1cc(C)ccc1C ZINC000599640599 1034065096 /nfs/dbraw/zinc/06/50/96/1034065096.db2.gz KOGYLVIEHRJMCX-XKGZKEIXSA-N 0 3 329.488 3.787 20 30 EHEDHN N#CC(C(=O)c1cccc(Cn2ccnc2)c1)c1nc(C2CC2)cs1 ZINC000647379774 1034122801 /nfs/dbraw/zinc/12/28/01/1034122801.db2.gz MUJNXKLYRCNIDJ-INIZCTEOSA-N 0 3 348.431 3.755 20 30 EHEDHN C=CCCOCCNCc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000120828207 1034178934 /nfs/dbraw/zinc/17/89/34/1034178934.db2.gz BPRFAUJJTAFNOY-UHFFFAOYSA-N 0 3 347.890 3.884 20 30 EHEDHN C#C[C@@H](CC)NCc1cc(Br)c(OCCC)c(OC)c1 ZINC000229881439 1034468495 /nfs/dbraw/zinc/46/84/95/1034468495.db2.gz QQOAYVSXCSCSBN-ZDUSSCGKSA-N 0 3 340.261 3.748 20 30 EHEDHN N#CC(C(=O)CC[C@H]1CCCCO1)c1nc2ccccc2n1C(F)F ZINC000171797163 1034634579 /nfs/dbraw/zinc/63/45/79/1034634579.db2.gz VSWMTYDOOZFHNH-CHWSQXEVSA-N 0 3 347.365 3.957 20 30 EHEDHN CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000597391359 1034730758 /nfs/dbraw/zinc/73/07/58/1034730758.db2.gz ZDEHSVUHYCNIRQ-LJQANCHMSA-N 0 3 339.483 3.583 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000605754950 1034822576 /nfs/dbraw/zinc/82/25/76/1034822576.db2.gz BQQZXEODSMKHAB-SJLPKXTDSA-N 0 3 332.463 3.503 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892490304 1034848949 /nfs/dbraw/zinc/84/89/49/1034848949.db2.gz SCQWRRJDZCRPSQ-WVMKXHBISA-N 0 3 348.855 3.662 20 30 EHEDHN C[C@H](NCc1cnc2c(C#N)cnn2c1)c1cccc2ccccc21 ZINC000581323645 1035484747 /nfs/dbraw/zinc/48/47/47/1035484747.db2.gz RSIKLYZTRQSAQD-AWEZNQCLSA-N 0 3 327.391 3.605 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc([C@H]3CCCOC3)cc2)n1 ZINC000540947057 1035846389 /nfs/dbraw/zinc/84/63/89/1035846389.db2.gz OLQBAGRUPYSNHW-JKSUJKDBSA-N 0 3 326.421 3.836 20 30 EHEDHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCC(CC#N)CC1 ZINC000540992994 1035887377 /nfs/dbraw/zinc/88/73/77/1035887377.db2.gz FRYJERLHQJZVKR-UHFFFAOYSA-N 0 3 344.409 3.893 20 30 EHEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000156814519 1035961965 /nfs/dbraw/zinc/96/19/65/1035961965.db2.gz AIKGIHSOSRUNQC-UKRRQHHQSA-N 0 3 341.461 4.000 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(C)s1 ZINC000590322669 1036846878 /nfs/dbraw/zinc/84/68/78/1036846878.db2.gz PSKGYLQHHMYRMY-KRWDZBQOSA-N 0 3 331.481 3.657 20 30 EHEDHN CC(C)c1csc([C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 ZINC000191394827 1036948639 /nfs/dbraw/zinc/94/86/39/1036948639.db2.gz AVFNFGBXCZDBML-OAHLLOKOSA-N 0 3 328.485 3.856 20 30 EHEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000271706994 1036959193 /nfs/dbraw/zinc/95/91/93/1036959193.db2.gz UMODKUPWYLLMBD-SUMWQHHRSA-N 0 3 325.412 3.836 20 30 EHEDHN CC(C)[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)N1CCCCC1 ZINC000104283449 1037004938 /nfs/dbraw/zinc/00/49/38/1037004938.db2.gz FPDWPLXLYMWPLL-IBGZPJMESA-N 0 3 343.471 3.818 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](CC)CSc2ccccc2)CC1 ZINC000179033304 1037160236 /nfs/dbraw/zinc/16/02/36/1037160236.db2.gz ZUSMEMRUIPQLOQ-MRXNPFEDSA-N 0 3 347.528 3.507 20 30 EHEDHN N#CCC[C@@H](NCCC(=O)Nc1ccccc1F)c1ccccc1 ZINC000591024873 1037207842 /nfs/dbraw/zinc/20/78/42/1037207842.db2.gz PNATYBCTOZBDST-QGZVFWFLSA-N 0 3 325.387 3.789 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](C3CCC3)C2)c1C ZINC000591061762 1037222094 /nfs/dbraw/zinc/22/20/94/1037222094.db2.gz HHJPOBZVDKPYSX-LJQANCHMSA-N 0 3 339.483 3.672 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C2CCC2)C1 ZINC000591062109 1037223277 /nfs/dbraw/zinc/22/32/77/1037223277.db2.gz VYKCWQJUPGURIA-WBVHZDCISA-N 0 3 343.446 3.583 20 30 EHEDHN C[C@@H](NC(=O)C1(N(C)C)CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782828732 1037309275 /nfs/dbraw/zinc/30/92/75/1037309275.db2.gz HUUVDFUTEGZHFZ-MRXNPFEDSA-N 0 3 347.462 3.887 20 30 EHEDHN N#Cc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000104705359 1037358321 /nfs/dbraw/zinc/35/83/21/1037358321.db2.gz WTLGAQYIEHBECA-HXUWFJFHSA-N 0 3 337.398 3.767 20 30 EHEDHN CN(CCCCc1ccccc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000532472756 1037422174 /nfs/dbraw/zinc/42/21/74/1037422174.db2.gz PRMBQSHCOMZCSX-NRFANRHFSA-N 0 3 347.462 3.618 20 30 EHEDHN CN(CCCCc1ccccc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000532472759 1037422405 /nfs/dbraw/zinc/42/24/05/1037422405.db2.gz PRMBQSHCOMZCSX-OAQYLSRUSA-N 0 3 347.462 3.618 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccc(C#N)s1 ZINC000130139304 1037511957 /nfs/dbraw/zinc/51/19/57/1037511957.db2.gz XYOXORVKEPMOOD-INIZCTEOSA-N 0 3 325.481 3.716 20 30 EHEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H](C)c2ccsc2)c(OC)c1 ZINC000669939669 1037678108 /nfs/dbraw/zinc/67/81/08/1037678108.db2.gz YBCOWFPKSVZBBC-WMLDXEAASA-N 0 3 347.480 3.576 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc3c(cccc3Cl)s2)CC1 ZINC000592069399 1037824869 /nfs/dbraw/zinc/82/48/69/1037824869.db2.gz BNSXEFGXBDZBRY-UHFFFAOYSA-N 0 3 334.872 3.935 20 30 EHEDHN CC(C)(C)C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(F)cc1 ZINC000540354103 1037833064 /nfs/dbraw/zinc/83/30/64/1037833064.db2.gz LEYRCJXVNRFKGB-XLIONFOSSA-N 0 3 345.462 3.701 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000494162965 1037891726 /nfs/dbraw/zinc/89/17/26/1037891726.db2.gz HRKBUFCJYFEREC-FXAWDEMLSA-N 0 3 341.499 3.820 20 30 EHEDHN COc1ccccc1[C@H](CNc1cccc(F)c1C#N)N1CCCC1 ZINC000104909354 1037901917 /nfs/dbraw/zinc/90/19/17/1037901917.db2.gz KVSILJPNGNQLJD-IBGZPJMESA-N 0 3 339.414 3.955 20 30 EHEDHN CC(C)N(C(=O)c1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592695037 1038100767 /nfs/dbraw/zinc/10/07/67/1038100767.db2.gz SOARVYKIVFEVOY-OAQYLSRUSA-N 0 3 347.462 3.683 20 30 EHEDHN CCN(CC)C(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543877266 1038695813 /nfs/dbraw/zinc/69/58/13/1038695813.db2.gz UBJYKLBRQXXLKG-INIZCTEOSA-N 0 3 335.451 3.744 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccccc1C)C(C)(C)C ZINC000539292983 1038763232 /nfs/dbraw/zinc/76/32/32/1038763232.db2.gz UREAHOBDWUQOQN-DNVCBOLYSA-N 0 3 329.488 3.680 20 30 EHEDHN CCN(CCc1ccc(OC)cc1)Cc1sc(N)c(C#N)c1Cl ZINC001141113129 1038856935 /nfs/dbraw/zinc/85/69/35/1038856935.db2.gz CAQPXSOBXXYNJZ-UHFFFAOYSA-N 0 3 349.887 3.929 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3cc(F)ccc3F)CC2)cc1 ZINC000554145363 1038967633 /nfs/dbraw/zinc/96/76/33/1038967633.db2.gz PUDPQUCAPJINPK-UHFFFAOYSA-N 0 3 327.378 3.913 20 30 EHEDHN CC(C)[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000054667656 1039455250 /nfs/dbraw/zinc/45/52/50/1039455250.db2.gz WGGRHOMITCPKTP-ROUUACIJSA-N 0 3 335.879 3.681 20 30 EHEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613733529 1039493686 /nfs/dbraw/zinc/49/36/86/1039493686.db2.gz DQICOOYGPDNOHU-GOSISDBHSA-N 0 3 337.467 3.548 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000431928184 1039519477 /nfs/dbraw/zinc/51/94/77/1039519477.db2.gz UXGRXSIWRXDYNL-LJQANCHMSA-N 0 3 341.499 3.616 20 30 EHEDHN C#CCCCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000150731156 1039910840 /nfs/dbraw/zinc/91/08/40/1039910840.db2.gz BMBSADOSBBDFGP-UHFFFAOYSA-N 0 3 332.245 3.732 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@]1(C#N)CC2CCC1CC2)c1ccco1 ZINC000899080313 1039986177 /nfs/dbraw/zinc/98/61/77/1039986177.db2.gz SMOBEHVAKHUCAS-QGIOLWFESA-N 0 3 343.471 3.545 20 30 EHEDHN C=CCC(C)(C)CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000489739183 1040167053 /nfs/dbraw/zinc/16/70/53/1040167053.db2.gz JWIJIAGHDWDVED-UHFFFAOYSA-N 0 3 343.515 3.549 20 30 EHEDHN CC(C)c1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047010782 1040224405 /nfs/dbraw/zinc/22/44/05/1040224405.db2.gz XBYGMQXHGYHGHT-UHFFFAOYSA-N 0 3 349.478 3.886 20 30 EHEDHN C[C@H](N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(C#N)cc1F ZINC000512620420 1040283564 /nfs/dbraw/zinc/28/35/64/1040283564.db2.gz QJQAYQUMEJFNPU-JSGCOSHPSA-N 0 3 345.368 3.905 20 30 EHEDHN COc1ccc(OCCCN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512620431 1040283705 /nfs/dbraw/zinc/28/37/05/1040283705.db2.gz QLUDVTJJIOLCJI-AWEZNQCLSA-N 0 3 328.387 3.826 20 30 EHEDHN C[C@H](N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(C#N)cc1F ZINC000512620419 1040284720 /nfs/dbraw/zinc/28/47/20/1040284720.db2.gz QJQAYQUMEJFNPU-GXTWGEPZSA-N 0 3 345.368 3.905 20 30 EHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000553673127 1040306696 /nfs/dbraw/zinc/30/66/96/1040306696.db2.gz HHMVVBSMCKVANV-APWZRJJASA-N 0 3 332.488 3.795 20 30 EHEDHN CC1CCC(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433017038 1040458857 /nfs/dbraw/zinc/45/88/57/1040458857.db2.gz WUVFLTXULRZCQT-KVZIAJEVSA-N 0 3 327.472 3.706 20 30 EHEDHN C=C(CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000479814955 1040639204 /nfs/dbraw/zinc/63/92/04/1040639204.db2.gz NNMPXHNBVQSFNO-OAQYLSRUSA-N 0 3 349.478 3.836 20 30 EHEDHN C[C@H](Cc1ccc(F)cc1Br)NCC1(C#N)CCC1 ZINC000418138634 1040646288 /nfs/dbraw/zinc/64/62/88/1040646288.db2.gz GPYTULXAJFQDBL-LLVKDONJSA-N 0 3 325.225 3.803 20 30 EHEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000533950113 1040679387 /nfs/dbraw/zinc/67/93/87/1040679387.db2.gz NIVNSGNXMQASRR-OALUTQOASA-N 0 3 329.488 3.820 20 30 EHEDHN CC(C)c1ccccc1OC[C@@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000046835935 1040987848 /nfs/dbraw/zinc/98/78/48/1040987848.db2.gz HDOKUDKUDFUPID-IBGZPJMESA-N 0 3 338.451 3.553 20 30 EHEDHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000570929038 1041135271 /nfs/dbraw/zinc/13/52/71/1041135271.db2.gz ZYWYVFJLKABJKS-AZUAARDMSA-N 0 3 345.450 3.650 20 30 EHEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433248033 1041155732 /nfs/dbraw/zinc/15/57/32/1041155732.db2.gz QKCWWVPRTBHMJN-UHFFFAOYSA-N 0 3 345.805 3.811 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](CC)SC)cc1 ZINC000156497923 1041252278 /nfs/dbraw/zinc/25/22/78/1041252278.db2.gz GYPVZSJTRIEHPA-JKSUJKDBSA-N 0 3 332.469 3.818 20 30 EHEDHN C=CCOc1ccc(CN2CCC(C3CCOCC3)CC2)cc1OC ZINC000093705076 1041445835 /nfs/dbraw/zinc/44/58/35/1041445835.db2.gz QXXHXYHMBOULEZ-UHFFFAOYSA-N 0 3 345.483 3.899 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(OC)cc2)o1 ZINC000661118858 1041955892 /nfs/dbraw/zinc/95/58/92/1041955892.db2.gz NPKMWEVWICRCIA-PBHICJAKSA-N 0 3 327.428 3.970 20 30 EHEDHN C[C@H](C1CC1)N(CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000024673031 1042218331 /nfs/dbraw/zinc/21/83/31/1042218331.db2.gz PJLOXCHXUYJQQX-MRXNPFEDSA-N 0 3 333.435 3.797 20 30 EHEDHN C=CCN(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)C(C)(C)C ZINC000661755194 1042311218 /nfs/dbraw/zinc/31/12/18/1042311218.db2.gz ITICTLNDVGVVIC-UHFFFAOYSA-N 0 3 340.414 3.533 20 30 EHEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000278862843 1042660551 /nfs/dbraw/zinc/66/05/51/1042660551.db2.gz GNCROWXIUUHVTM-OALUTQOASA-N 0 3 344.842 3.565 20 30 EHEDHN C[C@H](CCC#N)CN(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000602671854 1042723892 /nfs/dbraw/zinc/72/38/92/1042723892.db2.gz KVAICGJYPLVRDZ-GOSISDBHSA-N 0 3 349.478 3.764 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000165422103 1042815057 /nfs/dbraw/zinc/81/50/57/1042815057.db2.gz QVIXHIMTGXDMJJ-LSDHHAIUSA-N 0 3 337.423 3.601 20 30 EHEDHN CSc1ccccc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000344134855 1043308548 /nfs/dbraw/zinc/30/85/48/1043308548.db2.gz ZROBZSLTEWRUFO-UHFFFAOYSA-N 0 3 326.465 3.929 20 30 EHEDHN N#CCCn1cc(CN2CCC[C@H]3CCC[C@@H]32)c(-c2ccncc2)n1 ZINC000279494266 1044133357 /nfs/dbraw/zinc/13/33/57/1044133357.db2.gz YFJPGRBHDQPRLC-APWZRJJASA-N 0 3 335.455 3.623 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)NCc2ccc(C)n(C)c2=O)cc1 ZINC000279571684 1044243469 /nfs/dbraw/zinc/24/34/69/1044243469.db2.gz SVEUPINKANXKHM-HNNXBMFYSA-N 0 3 346.858 3.676 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(-n3cccn3)cc2)c1 ZINC000073012591 1126975253 /nfs/dbraw/zinc/97/52/53/1126975253.db2.gz GSTFAOIKZILTKL-HXUWFJFHSA-N 0 3 346.434 3.843 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000178758203 1127029666 /nfs/dbraw/zinc/02/96/66/1127029666.db2.gz OJFUHXZEAHOQGJ-HXUWFJFHSA-N 0 3 338.451 3.609 20 30 EHEDHN C=CCC[C@H](NCC(=O)NCc1ccccc1OC)c1ccccc1 ZINC000180044926 1127113394 /nfs/dbraw/zinc/11/33/94/1127113394.db2.gz KQXKHOUTZUWBGJ-IBGZPJMESA-N 0 3 338.451 3.609 20 30 EHEDHN C=CCNC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000181969761 1127305702 /nfs/dbraw/zinc/30/57/02/1127305702.db2.gz UMJYZSDLTHSJIG-HNNXBMFYSA-N 0 3 328.378 3.684 20 30 EHEDHN C[C@H]1CC(N=Nc2ncnc3ccsc32)CN1Cc1ccccc1 ZINC000764839979 1127541209 /nfs/dbraw/zinc/54/12/09/1127541209.db2.gz DIBAEGNAZZCJTK-ZDUSSCGKSA-N 0 3 337.452 3.754 20 30 EHEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)c(Br)c1 ZINC001137804511 1127602478 /nfs/dbraw/zinc/60/24/78/1127602478.db2.gz REXFWKWZRISRPR-CQSZACIVSA-N 0 3 338.270 3.532 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000107747672 1128071860 /nfs/dbraw/zinc/07/18/60/1128071860.db2.gz SXYLIZZMEVKLHU-ZWKOTPCHSA-N 0 3 347.890 3.536 20 30 EHEDHN N#Cc1cc(CN[C@@H](CN2CCCCC2)c2ccccc2)cs1 ZINC000921666289 1128445102 /nfs/dbraw/zinc/44/51/02/1128445102.db2.gz CSELBPCQDCUPMX-IBGZPJMESA-N 0 3 325.481 3.937 20 30 EHEDHN CN(C)[C@@H](CNc1ccc2cc(C#N)ccc2n1)c1cccc(F)c1 ZINC000301808955 1128606444 /nfs/dbraw/zinc/60/64/44/1128606444.db2.gz GILSZWWAOBDIEN-IBGZPJMESA-N 0 3 334.398 3.960 20 30 EHEDHN N#Cc1ccc2nc(NCCN3CCc4ccccc4C3)ccc2c1 ZINC000301814981 1128607074 /nfs/dbraw/zinc/60/70/74/1128607074.db2.gz IPFYDDIHPHUXNO-UHFFFAOYSA-N 0 3 328.419 3.577 20 30 EHEDHN CC(=O)c1ccc(C#N)cc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000302085070 1128618820 /nfs/dbraw/zinc/61/88/20/1128618820.db2.gz DPFCWSXOZNSBLT-FQEVSTJZSA-N 0 3 347.462 3.719 20 30 EHEDHN CC(=O)c1ccc(C#N)c(NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000302110669 1128620719 /nfs/dbraw/zinc/62/07/19/1128620719.db2.gz PHPJAUBFTFFVPC-HXUWFJFHSA-N 0 3 333.435 3.837 20 30 EHEDHN N#Cc1ccc(Br)c(CN[C@H]2CCCC(F)(F)C2)c1 ZINC000921858554 1128847835 /nfs/dbraw/zinc/84/78/35/1128847835.db2.gz FLGBYHWPHRTDBA-LBPRGKRZSA-N 0 3 329.188 3.988 20 30 EHEDHN N#Cc1ccc(CNCc2cccc(COC3CCOCC3)c2)cc1 ZINC000111409862 1128864390 /nfs/dbraw/zinc/86/43/90/1128864390.db2.gz SEHKVOGHOGXHLG-UHFFFAOYSA-N 0 3 336.435 3.544 20 30 EHEDHN CC(C)(C)OC1CC(N2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000450995930 1128883127 /nfs/dbraw/zinc/88/31/27/1128883127.db2.gz TZZQWRNCMGUCRW-UHFFFAOYSA-N 0 3 346.446 3.887 20 30 EHEDHN C=CCC[C@@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001687384444 1120244120 /nfs/dbraw/zinc/24/41/20/1120244120.db2.gz NKTRXDNOCVUGTB-VQTJNVASSA-N 0 3 341.499 3.710 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495782877 1121425841 /nfs/dbraw/zinc/42/58/41/1121425841.db2.gz ACCOBWOFHCZAOL-FOIQADDNSA-N 0 3 343.471 3.856 20 30 EHEDHN COc1ccc(NC(=O)C[C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272342810 1121536228 /nfs/dbraw/zinc/53/62/28/1121536228.db2.gz ZWLIZUFMHMXPTQ-HNNXBMFYSA-N 0 3 349.434 3.563 20 30 EHEDHN CCN(C[C@@H](O)c1c(F)cccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000193758316 1121620378 /nfs/dbraw/zinc/62/03/78/1121620378.db2.gz GELOFBCCFOGDKF-SCLBCKFNSA-N 0 3 330.378 3.953 20 30 EHEDHN N#Cc1ccc(Br)c(CNCCC[C@H]2CCCCO2)c1 ZINC000922000804 1129013730 /nfs/dbraw/zinc/01/37/30/1129013730.db2.gz ROYMUJIGRXWRRY-OAHLLOKOSA-N 0 3 337.261 3.760 20 30 EHEDHN C[C@H]1CN(CCC(=O)Nc2sccc2C#N)Cc2ccccc21 ZINC000916152123 1122081835 /nfs/dbraw/zinc/08/18/35/1122081835.db2.gz NSTDMJQHPDWLTL-ZDUSSCGKSA-N 0 3 325.437 3.568 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCC(C)(F)F ZINC000916907215 1122392894 /nfs/dbraw/zinc/39/28/94/1122392894.db2.gz LPTYPUYYVFTUIR-AWEZNQCLSA-N 0 3 336.382 3.894 20 30 EHEDHN C[C@@H](N(C)CC(=O)C(C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000917098985 1122493109 /nfs/dbraw/zinc/49/31/09/1122493109.db2.gz YFLPLUSMDCIGRQ-OLZOCXBDSA-N 0 3 329.469 3.839 20 30 EHEDHN C#CCN(C[C@H](O)c1ccc(F)c(F)c1)[C@@H]1CCc2ccccc21 ZINC000917119313 1122513056 /nfs/dbraw/zinc/51/30/56/1122513056.db2.gz ZGQYANHTAFPJSG-UXHICEINSA-N 0 3 327.374 3.621 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC2(c3cccc(Cl)c3)CC2)CC1 ZINC000077823097 1129067655 /nfs/dbraw/zinc/06/76/55/1129067655.db2.gz QTLZBAFAPNRTKH-UHFFFAOYSA-N 0 3 347.890 3.669 20 30 EHEDHN C=CCN1CC[C@@H](N[C@@H](Cc2ccccc2)c2sccc2C)C1=O ZINC000499624115 1129106861 /nfs/dbraw/zinc/10/68/61/1129106861.db2.gz HNQYRDBYBJBNIM-MSOLQXFVSA-N 0 3 340.492 3.717 20 30 EHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCSC(C)(C)C ZINC000155143088 1123247798 /nfs/dbraw/zinc/24/77/98/1123247798.db2.gz CFCDUTCKQYIHSJ-ZDUSSCGKSA-N 0 3 348.468 3.654 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(-c3ccc(CC)cc3)o2)CC1 ZINC000080079494 1123739273 /nfs/dbraw/zinc/73/92/73/1123739273.db2.gz QDZHOHVGZUQEPS-UHFFFAOYSA-N 0 3 338.451 3.889 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000610132263 1123739376 /nfs/dbraw/zinc/73/93/76/1123739376.db2.gz KJXWMACVOBTHEQ-CYBMUJFWSA-N 0 3 346.377 3.917 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000237602717 1123786430 /nfs/dbraw/zinc/78/64/30/1123786430.db2.gz JTSVPOLXYFSTIQ-CABCVRRESA-N 0 3 338.407 3.599 20 30 EHEDHN COc1ccc(C#N)cc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181194620 1124633573 /nfs/dbraw/zinc/63/35/73/1124633573.db2.gz WUTWERGSKZMVHX-XLIONFOSSA-N 0 3 336.435 3.824 20 30 EHEDHN C[C@@H]1CN(CC(=O)Nc2ccccc2SCC#N)[C@H]2CCCC[C@@H]12 ZINC000248424199 1124661331 /nfs/dbraw/zinc/66/13/31/1124661331.db2.gz NIQQWCROYKTVRF-VYDXJSESSA-N 0 3 343.496 3.751 20 30 EHEDHN CC(C)[C@@H](NCc1csc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000921497925 1124907773 /nfs/dbraw/zinc/90/77/73/1124907773.db2.gz WMTKBHGFEQVRBO-GOSISDBHSA-N 0 3 328.437 3.878 20 30 EHEDHN C#CCOc1ccc([C@H](C)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000182637114 1125346452 /nfs/dbraw/zinc/34/64/52/1125346452.db2.gz YLHOJGJNYXXAGO-SFHVURJKSA-N 0 3 349.478 3.624 20 30 EHEDHN C[C@@H](NCc1ccc(Cl)cc1-n1cncn1)c1cccc(C#N)c1 ZINC000619511066 1125355160 /nfs/dbraw/zinc/35/51/60/1125355160.db2.gz BHJBZDADWAVNFI-CYBMUJFWSA-N 0 3 337.814 3.643 20 30 EHEDHN COCCCOc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748492 1125400044 /nfs/dbraw/zinc/40/00/44/1125400044.db2.gz GSZMTHOAHORCAE-UHFFFAOYSA-N 0 3 344.842 3.917 20 30 EHEDHN COc1ccc(C(C)(C)NCc2ccc(C#N)c(OC)c2)cc1F ZINC000527780129 1129304824 /nfs/dbraw/zinc/30/48/24/1129304824.db2.gz CNJHODHKMWLQCM-UHFFFAOYSA-N 0 3 328.387 3.739 20 30 EHEDHN CSc1ccc([C@H](CNc2c(C#N)cccc2C#N)N(C)C)cc1 ZINC000338831940 1129373822 /nfs/dbraw/zinc/37/38/22/1129373822.db2.gz MLIMRSURHIRVAB-SFHVURJKSA-N 0 3 336.464 3.867 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000765979983 1129429566 /nfs/dbraw/zinc/42/95/66/1129429566.db2.gz YNNYHPPZVZODSH-KGLIPLIRSA-N 0 3 335.407 3.692 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3c[nH]c4ccc(F)cc34)nc21 ZINC000735792007 1131380841 /nfs/dbraw/zinc/38/08/41/1131380841.db2.gz GCTPZDZSORGSBS-HNNXBMFYSA-N 0 3 346.365 3.911 20 30 EHEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168729274 1129587479 /nfs/dbraw/zinc/58/74/79/1129587479.db2.gz AHAOLEQWLPEOMA-ZWOKBUDYSA-N 0 3 347.886 3.633 20 30 EHEDHN COc1ccc(CNCc2ccc(C)c(C#N)c2)cc1OC(F)F ZINC000922763906 1129655161 /nfs/dbraw/zinc/65/51/61/1129655161.db2.gz ZOCPBYYWCXWRQK-UHFFFAOYSA-N 0 3 332.350 3.767 20 30 EHEDHN CN(CCC#N)c1ccc(CNCc2cnn(-c3ccccc3)c2)cc1 ZINC000030654088 1129924343 /nfs/dbraw/zinc/92/43/43/1129924343.db2.gz HUTXASYJXSPMJR-UHFFFAOYSA-N 0 3 345.450 3.512 20 30 EHEDHN C=CCN1CCC(NC(=S)Nc2ccc(CCCC)cc2)CC1 ZINC000729941795 1130656995 /nfs/dbraw/zinc/65/69/95/1130656995.db2.gz CQALTLXOGOOTDZ-UHFFFAOYSA-N 0 3 331.529 3.966 20 30 EHEDHN CCCCCCOCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000730919313 1130751074 /nfs/dbraw/zinc/75/10/74/1130751074.db2.gz BMFSKUWDSHWERP-CYBMUJFWSA-N 0 3 336.819 3.584 20 30 EHEDHN N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732204899 1130900544 /nfs/dbraw/zinc/90/05/44/1130900544.db2.gz VXJMAGJTMYELSE-UHFFFAOYSA-N 0 3 349.434 3.647 20 30 EHEDHN N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732204899 1130900548 /nfs/dbraw/zinc/90/05/48/1130900548.db2.gz VXJMAGJTMYELSE-UHFFFAOYSA-N 0 3 349.434 3.647 20 30 EHEDHN N#Cc1ccc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)cc1 ZINC000732204899 1130900554 /nfs/dbraw/zinc/90/05/54/1130900554.db2.gz VXJMAGJTMYELSE-UHFFFAOYSA-N 0 3 349.434 3.647 20 30 EHEDHN N#Cc1ccc(C2=CCN(CCC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000347950962 1131102108 /nfs/dbraw/zinc/10/21/08/1131102108.db2.gz PYLLWPSHADNMBO-UHFFFAOYSA-N 0 3 349.409 3.815 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1cccs1 ZINC000739156589 1131493756 /nfs/dbraw/zinc/49/37/56/1131493756.db2.gz ZJEYHPAYAXEUSW-WDEREUQCSA-N 0 3 332.812 3.853 20 30 EHEDHN CC(C)OC(=O)CC[C@@H](C)N1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001172773151 1131842458 /nfs/dbraw/zinc/84/24/58/1131842458.db2.gz LWTHSOBQAZVBQV-APWZRJJASA-N 0 3 344.455 3.522 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1OC ZINC000743259761 1131883417 /nfs/dbraw/zinc/88/34/17/1131883417.db2.gz MZYIHIOUYOYHPA-SFHVURJKSA-N 0 3 337.423 3.636 20 30 EHEDHN Cc1ccc(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1 ZINC001172986238 1131926278 /nfs/dbraw/zinc/92/62/78/1131926278.db2.gz VNFFQIARMOXPOL-ROUUACIJSA-N 0 3 343.471 3.719 20 30 EHEDHN C#CCN([C@@H]1CCc2ccccc21)[C@H]1COc2cccc(OC)c2C1 ZINC001173160951 1131989091 /nfs/dbraw/zinc/98/90/91/1131989091.db2.gz NFEVPHBMCURFKL-YLJYHZDGSA-N 0 3 333.431 3.621 20 30 EHEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000744032935 1132013909 /nfs/dbraw/zinc/01/39/09/1132013909.db2.gz PBVRCKHLVIJZMX-PWSUYJOCSA-N 0 3 348.761 3.832 20 30 EHEDHN C=CCOC1CCC(N(Cc2cccnc2)Cc2cccnc2)CC1 ZINC001173320448 1132061213 /nfs/dbraw/zinc/06/12/13/1132061213.db2.gz NVGVHFGIGCIDMF-UHFFFAOYSA-N 0 3 337.467 3.993 20 30 EHEDHN C#CCN1CCN([C@H](C)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC001173550737 1132093027 /nfs/dbraw/zinc/09/30/27/1132093027.db2.gz OQIIOKCSLXNONR-CQSZACIVSA-N 0 3 325.283 3.565 20 30 EHEDHN CC1(C#N)CCC(N2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)CC1 ZINC001173595047 1132100183 /nfs/dbraw/zinc/10/01/83/1132100183.db2.gz KOXVAHMGVGUXLM-QHEDFCPTSA-N 0 3 346.515 3.897 20 30 EHEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C1CCC(C)(C#N)CC1 ZINC001173598390 1132100434 /nfs/dbraw/zinc/10/04/34/1132100434.db2.gz QJTUUFBGNKDNKR-JYMZVQIXSA-N 0 3 335.492 3.789 20 30 EHEDHN CN1CCN(Cc2ccc(Nc3ccc(Cl)c(C#N)c3)cc2)CC1 ZINC001174403446 1132342850 /nfs/dbraw/zinc/34/28/50/1132342850.db2.gz OANGNCZJACAYJB-UHFFFAOYSA-N 0 3 340.858 3.703 20 30 EHEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000745991290 1132345523 /nfs/dbraw/zinc/34/55/23/1132345523.db2.gz VIKJNGPNAQSDRY-MGPQQGTHSA-N 0 3 327.453 3.593 20 30 EHEDHN CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C#CC(C)(C)C ZINC001175256147 1132617913 /nfs/dbraw/zinc/61/79/13/1132617913.db2.gz UTFMEDHIPQTAJD-LJQANCHMSA-N 0 3 326.484 3.549 20 30 EHEDHN CCN1CCN(c2ccc(Nc3cc(F)c(C#N)cc3F)cc2)CC1 ZINC001175780771 1132763762 /nfs/dbraw/zinc/76/37/62/1132763762.db2.gz MHGLGYMKAIYFEU-UHFFFAOYSA-N 0 3 342.393 3.722 20 30 EHEDHN C=CCN(C)CCN(CC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001169845884 1132874385 /nfs/dbraw/zinc/87/43/85/1132874385.db2.gz XUWMSSNLBAHBQO-UHFFFAOYSA-N 0 3 345.365 3.553 20 30 EHEDHN N#Cc1ccccc1N1CCCN(Cc2cncc3ccccc32)CC1 ZINC000768769286 1133175369 /nfs/dbraw/zinc/17/53/69/1133175369.db2.gz ODBQFYMNBVMHGM-UHFFFAOYSA-N 0 3 342.446 3.819 20 30 EHEDHN C#CCCOc1ccc(CN(C)C[C@H]2OCCc3ccccc32)cc1 ZINC000769020569 1133214923 /nfs/dbraw/zinc/21/49/23/1133214923.db2.gz FFGLSSGQEZCZCI-JOCHJYFZSA-N 0 3 335.447 3.835 20 30 EHEDHN COc1cc(CN2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC001180142947 1133331398 /nfs/dbraw/zinc/33/13/98/1133331398.db2.gz SHBBTZFKBWIHCJ-QZTJIDSGSA-N 0 3 349.478 3.662 20 30 EHEDHN C=CCOc1ccccc1CN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000770319748 1133410351 /nfs/dbraw/zinc/41/03/51/1133410351.db2.gz BLVASQQKKDOUQI-ZWKOTPCHSA-N 0 3 327.424 3.933 20 30 EHEDHN C=CCOc1c(Cl)cc(CN(C)[C@H]2C[C@@H](OC)C2)cc1OC ZINC001181656113 1133510649 /nfs/dbraw/zinc/51/06/49/1133510649.db2.gz OPTLAOVNQNFULF-OKILXGFUSA-N 0 3 325.836 3.523 20 30 EHEDHN CC[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000774265735 1133650278 /nfs/dbraw/zinc/65/02/78/1133650278.db2.gz GVOYCHXUMPLLJM-SFTDATJTSA-N 0 3 347.462 3.790 20 30 EHEDHN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786529833 1133862217 /nfs/dbraw/zinc/86/22/17/1133862217.db2.gz DMDHMAUTPREEKW-IUODEOHRSA-N 0 3 334.847 3.737 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)CCC(C)(C)C)c1 ZINC000786538782 1133863898 /nfs/dbraw/zinc/86/38/98/1133863898.db2.gz HFIXMKIVCCBSMK-WBVHZDCISA-N 0 3 328.456 3.783 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC2CCCCC2)c1 ZINC000786548186 1133872706 /nfs/dbraw/zinc/87/27/06/1133872706.db2.gz IVGPUXWOBYKXHU-GOSISDBHSA-N 0 3 326.440 3.681 20 30 EHEDHN C[C@@H]1CCC[C@H](CC(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787078387 1133946007 /nfs/dbraw/zinc/94/60/07/1133946007.db2.gz NEYXFIZZMBLZGQ-NJAFHUGGSA-N 0 3 326.440 3.570 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1(C)CCCCC1 ZINC000787073793 1133946089 /nfs/dbraw/zinc/94/60/89/1133946089.db2.gz RGSXCFIUODUNRI-QGZVFWFLSA-N 0 3 326.440 3.714 20 30 EHEDHN Cc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)ccc1C#N ZINC000774911039 1134118474 /nfs/dbraw/zinc/11/84/74/1134118474.db2.gz FPFCGWLCDULCET-YJBOKZPZSA-N 0 3 343.471 3.744 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](COC)[C@H]2CCCO2)cc1 ZINC000788620039 1134152535 /nfs/dbraw/zinc/15/25/35/1134152535.db2.gz UJFOHZRZJMVEKT-JCGIZDLHSA-N 0 3 339.863 3.663 20 30 EHEDHN C=CCN(C)CCN(CC)c1cc(-c2cccc(Cl)c2)ncn1 ZINC001186854833 1134268971 /nfs/dbraw/zinc/26/89/71/1134268971.db2.gz OYHRECRFWNILNH-UHFFFAOYSA-N 0 3 330.863 3.741 20 30 EHEDHN O=C(Nc1cccc(Cl)c1Cl)N1CCC2SC(=O)C=C2C1 ZINC001189208644 1134552741 /nfs/dbraw/zinc/55/27/41/1134552741.db2.gz DCOLCXSPGBIBQS-NSHDSACASA-N 0 3 343.235 3.799 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(N2CCCC2=O)cc1 ZINC000775361944 1134666006 /nfs/dbraw/zinc/66/60/06/1134666006.db2.gz FHYCWQBEBRGJAJ-NRFANRHFSA-N 0 3 345.446 3.852 20 30 EHEDHN CCNc1ccc(Cl)cc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000793123941 1134851972 /nfs/dbraw/zinc/85/19/72/1134851972.db2.gz KGDZOHIPKKGHRQ-CQSZACIVSA-N 0 3 328.803 3.669 20 30 EHEDHN C#CCCCCC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000805308673 1135254605 /nfs/dbraw/zinc/25/46/05/1135254605.db2.gz HQUKEIDAHGQJKW-FQEVSTJZSA-N 0 3 328.500 3.798 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCCC(C)(C)C)c1 ZINC000805852753 1135338712 /nfs/dbraw/zinc/33/87/12/1135338712.db2.gz BCRQIEVNTZKYNK-MRXNPFEDSA-N 0 3 330.428 3.949 20 30 EHEDHN N#CCCCCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000805855165 1135339801 /nfs/dbraw/zinc/33/98/01/1135339801.db2.gz FFMGKIWDRSKRAB-QGZVFWFLSA-N 0 3 333.391 3.961 20 30 EHEDHN N#C[C@@H](COC(=O)c1cccc(CN2CCCC2)c1)Cc1ccccc1 ZINC000805892631 1135344990 /nfs/dbraw/zinc/34/49/90/1135344990.db2.gz HJPLOOPQJWZNSI-FQEVSTJZSA-N 0 3 348.446 3.822 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806173566 1135398355 /nfs/dbraw/zinc/39/83/55/1135398355.db2.gz YJISUTYBOVCRCI-HRAATJIYSA-N 0 3 340.442 3.791 20 30 EHEDHN COC(=O)c1cccc(CN2CCC[C@H]2CC2CCCC2)c1C#N ZINC001195638433 1135445660 /nfs/dbraw/zinc/44/56/60/1135445660.db2.gz JINOKXPTIQMFMT-KRWDZBQOSA-N 0 3 326.440 3.890 20 30 EHEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC001195947130 1135498798 /nfs/dbraw/zinc/49/87/98/1135498798.db2.gz QOTPSBKFZDXCMI-ROUUACIJSA-N 0 3 341.499 3.902 20 30 EHEDHN C=CC[C@H]1CCN(CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001196441297 1135558093 /nfs/dbraw/zinc/55/80/93/1135558093.db2.gz KZQRLDSJJSHHEM-HOTGVXAUSA-N 0 3 326.440 3.850 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000808426456 1135660853 /nfs/dbraw/zinc/66/08/53/1135660853.db2.gz SKVUVXKCORLXCW-FOIQADDNSA-N 0 3 341.430 3.509 20 30 EHEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001197700879 1135727296 /nfs/dbraw/zinc/72/72/96/1135727296.db2.gz AHZPRVCCSHWBAB-UYAOXDASSA-N 0 3 346.474 3.950 20 30 EHEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001197700872 1135727805 /nfs/dbraw/zinc/72/78/05/1135727805.db2.gz AHZPRVCCSHWBAB-AZUAARDMSA-N 0 3 346.474 3.950 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](C3CC3)C2)cc1 ZINC000808778481 1135735501 /nfs/dbraw/zinc/73/55/01/1135735501.db2.gz YGZCUDAIYHYNHY-HKUYNNGSSA-N 0 3 339.483 3.752 20 30 EHEDHN C#C[C@@H](CC)NCc1cc(Br)c(OCC=C)c(OC)c1 ZINC000809686368 1135871794 /nfs/dbraw/zinc/87/17/94/1135871794.db2.gz OJFBUVMBHIRPPR-ZDUSSCGKSA-N 0 3 338.245 3.524 20 30 EHEDHN C#Cc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000809638008 1135864176 /nfs/dbraw/zinc/86/41/76/1135864176.db2.gz VNMCEOJFANYXNM-INIZCTEOSA-N 0 3 333.357 3.720 20 30 EHEDHN C#C[C@H](NCc1ccc(OCc2ccncc2)c(OC)c1)C(C)(C)C ZINC000809781809 1135890774 /nfs/dbraw/zinc/89/07/74/1135890774.db2.gz BLZDBZJLGWEUQU-FQEVSTJZSA-N 0 3 338.451 3.807 20 30 EHEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCC(=O)N2 ZINC000810208875 1135943223 /nfs/dbraw/zinc/94/32/23/1135943223.db2.gz GZMKTOKPMBOYEG-ZUOKHONESA-N 0 3 331.419 3.781 20 30 EHEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000776078118 1135948987 /nfs/dbraw/zinc/94/89/87/1135948987.db2.gz UFXXKHKYATXFGL-HOTGVXAUSA-N 0 3 344.842 3.528 20 30 EHEDHN CCCNc1ccc(C#N)cc1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810436016 1135964746 /nfs/dbraw/zinc/96/47/46/1135964746.db2.gz JIOTWENVGMVSKJ-LJQANCHMSA-N 0 3 346.450 3.531 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2(CCF)CC2)cc1 ZINC000810533832 1135970886 /nfs/dbraw/zinc/97/08/86/1135970886.db2.gz XEUAAXNGHVCLQQ-CJNGLKHVSA-N 0 3 330.403 3.987 20 30 EHEDHN CCCCCCCN1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001201776593 1136065849 /nfs/dbraw/zinc/06/58/49/1136065849.db2.gz GKWLKVLLWMVRPH-XUVXKRRUSA-N 0 3 332.488 3.800 20 30 EHEDHN C=CCc1cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)c(OC)c1 ZINC000811793074 1136141342 /nfs/dbraw/zinc/14/13/42/1136141342.db2.gz TVNBDEKIKXGYLV-FXAWDEMLSA-N 0 3 343.467 3.663 20 30 EHEDHN CCc1ccc([C@H](C/N=C\c2c(O)cccc2OC)N(C)C)cc1 ZINC000812395520 1136203827 /nfs/dbraw/zinc/20/38/27/1136203827.db2.gz BWONOPPUCNQVPG-PKIWBCANSA-N 0 3 326.440 3.685 20 30 EHEDHN C=CCOCCCN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000850532552 1136280643 /nfs/dbraw/zinc/28/06/43/1136280643.db2.gz VUCCYLJFEBQEOT-GFCCVEGCSA-N 0 3 331.279 3.539 20 30 EHEDHN CCCCCCCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850764888 1136301692 /nfs/dbraw/zinc/30/16/92/1136301692.db2.gz HBXLKNPZVDVART-GOSISDBHSA-N 0 3 333.476 3.830 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)Cc2occc2C)cc1 ZINC000850760808 1136302067 /nfs/dbraw/zinc/30/20/67/1136302067.db2.gz XNVJMXKPCZFYRP-KRWDZBQOSA-N 0 3 338.407 3.821 20 30 EHEDHN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813219234 1136304640 /nfs/dbraw/zinc/30/46/40/1136304640.db2.gz YHEGQCNNLNNRFO-AXAPSJFSSA-N 0 3 340.345 3.872 20 30 EHEDHN CO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCCCC1 ZINC000851039059 1136331165 /nfs/dbraw/zinc/33/11/65/1136331165.db2.gz PZYLJINMNSHIRC-CJNGLKHVSA-N 0 3 340.345 3.872 20 30 EHEDHN CC(C)(NCc1ccnc(Br)c1)c1cccc(C#N)c1 ZINC000852353993 1136451556 /nfs/dbraw/zinc/45/15/56/1136451556.db2.gz UBSTYIAWJOVDJB-UHFFFAOYSA-N 0 3 330.229 3.741 20 30 EHEDHN C=CC[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000852411968 1136454718 /nfs/dbraw/zinc/45/47/18/1136454718.db2.gz XENYYPBQGOWFON-LSDHHAIUSA-N 0 3 339.464 3.761 20 30 EHEDHN N#CCOc1ccc(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000815206901 1136570651 /nfs/dbraw/zinc/57/06/51/1136570651.db2.gz RDYQJGDRICVRAC-LJQANCHMSA-N 0 3 342.826 3.896 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](CC(C)C)c2ccccc2C)CC1 ZINC000112257782 1136618482 /nfs/dbraw/zinc/61/84/82/1136618482.db2.gz CXRZAMFXJHKMQG-HXUWFJFHSA-N 0 3 326.484 3.544 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000855172606 1136674101 /nfs/dbraw/zinc/67/41/01/1136674101.db2.gz NFDSFYXFEOVIQL-LAVFITLUSA-N 0 3 327.424 3.542 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000113317027 1136694631 /nfs/dbraw/zinc/69/46/31/1136694631.db2.gz AYLXARKKEQZCEC-UHFFFAOYSA-N 0 3 349.352 3.930 20 30 EHEDHN C#C[C@@H](N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000816616309 1136741674 /nfs/dbraw/zinc/74/16/74/1136741674.db2.gz TYSOFLHZPYDCKC-CXAGYDPISA-N 0 3 348.874 3.859 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000819210014 1136925144 /nfs/dbraw/zinc/92/51/44/1136925144.db2.gz QEIPIFYHKTWDAY-MSOLQXFVSA-N 0 3 342.826 3.749 20 30 EHEDHN Cc1ccc(O[C@@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)C2)nc1 ZINC000858013132 1136931123 /nfs/dbraw/zinc/93/11/23/1136931123.db2.gz HAVSKKYYIMLYGD-LJQANCHMSA-N 0 3 335.451 3.845 20 30 EHEDHN Cc1ccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1C#N ZINC000859133374 1137004452 /nfs/dbraw/zinc/00/44/52/1137004452.db2.gz FRGQRIHMIHXTJN-OAQYLSRUSA-N 0 3 338.426 3.951 20 30 EHEDHN C[Si](C)(C)c1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000821621153 1137033917 /nfs/dbraw/zinc/03/39/17/1137033917.db2.gz IKQVFVYJPPXLIE-MRXNPFEDSA-N 0 3 348.478 3.792 20 30 EHEDHN COc1cccc([C@H](O)C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000860138591 1137045871 /nfs/dbraw/zinc/04/58/71/1137045871.db2.gz OILAXZJIGULKMS-OAQYLSRUSA-N 0 3 336.435 3.512 20 30 EHEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)C(F)(F)F ZINC000860467225 1137061640 /nfs/dbraw/zinc/06/16/40/1137061640.db2.gz GXICRRZESFFRFZ-KWQFWETISA-N 0 3 332.709 3.576 20 30 EHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1 ZINC000860472031 1137062066 /nfs/dbraw/zinc/06/20/66/1137062066.db2.gz ZRGOCTIRUJKKNK-UONOGXRCSA-N 0 3 340.379 3.519 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccco1)c1ccccc1 ZINC000860693300 1137073321 /nfs/dbraw/zinc/07/33/21/1137073321.db2.gz FYYLYNQZVQCHEI-OIISXLGYSA-N 0 3 338.407 3.750 20 30 EHEDHN C[C@@H]1C[C@@H](CN2CCC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000824147184 1137126143 /nfs/dbraw/zinc/12/61/43/1137126143.db2.gz IDYBOBZVCPAHIO-GJYPPUQNSA-N 0 3 335.492 3.648 20 30 EHEDHN C[C@@H]1C[C@@H](CN2CCC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000824147190 1137126162 /nfs/dbraw/zinc/12/61/62/1137126162.db2.gz IDYBOBZVCPAHIO-JTDSTZFVSA-N 0 3 335.492 3.648 20 30 EHEDHN C#CC[C@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000862444579 1137144932 /nfs/dbraw/zinc/14/49/32/1137144932.db2.gz CKMHOWFJXZWBCK-ZDUSSCGKSA-N 0 3 329.241 3.843 20 30 EHEDHN C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CCOCCC#N ZINC000339044920 1137160786 /nfs/dbraw/zinc/16/07/86/1137160786.db2.gz YWNUBHZEUHJZSA-GCJKJVERSA-N 0 3 334.463 3.995 20 30 EHEDHN CN(CCC#N)c1ccc(CN2CCOCC23CCCCC3)cc1 ZINC000825099469 1137163311 /nfs/dbraw/zinc/16/33/11/1137163311.db2.gz ZYIFFZIFWQTZLJ-UHFFFAOYSA-N 0 3 327.472 3.572 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000844881546 1137260039 /nfs/dbraw/zinc/26/00/39/1137260039.db2.gz HGYWRZIXBWZJDW-UHFFFAOYSA-N 0 3 345.657 3.931 20 30 EHEDHN COc1ccc(NC(=N)c2ccc3cc(O)ccc3c2)c(CC#N)c1 ZINC001171182971 1137293564 /nfs/dbraw/zinc/29/35/64/1137293564.db2.gz YCTLDNGWBGHJKJ-UHFFFAOYSA-N 0 3 331.375 3.657 20 30 EHEDHN C#Cc1ccc(CN2CCC(Oc3cnc4ccccc4n3)CC2)cc1 ZINC001144578548 1137310776 /nfs/dbraw/zinc/31/07/76/1137310776.db2.gz GQRRGBCLPUGPAL-UHFFFAOYSA-N 0 3 343.430 3.655 20 30 EHEDHN C#Cc1ccc(CN2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)cc1 ZINC001144567981 1137311522 /nfs/dbraw/zinc/31/15/22/1137311522.db2.gz HCTZENKUSLSAJV-FQEVSTJZSA-N 0 3 328.456 3.547 20 30 EHEDHN C=CC[C@H](C)[C@@H](C)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000846050905 1137330367 /nfs/dbraw/zinc/33/03/67/1137330367.db2.gz WKCTXLQWLYGLLG-RBUKOAKNSA-N 0 3 345.531 3.716 20 30 EHEDHN C[C@H](NCc1ccc(C2(C)OCCO2)cc1)c1ccc(C#N)c(F)c1 ZINC000866422762 1137353473 /nfs/dbraw/zinc/35/34/73/1137353473.db2.gz RNLOUBMGZYHLHL-AWEZNQCLSA-N 0 3 340.398 3.768 20 30 EHEDHN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1ncc(-c2ccccc2)n1C ZINC000866616191 1137369705 /nfs/dbraw/zinc/36/97/05/1137369705.db2.gz LAHIKNRBSNHFOD-QRWLVFNGSA-N 0 3 342.446 3.777 20 30 EHEDHN CC[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccc(C)cc1 ZINC000121865096 1137387408 /nfs/dbraw/zinc/38/74/08/1137387408.db2.gz HJLGYXWKHJZXDU-NVXWUHKLSA-N 0 3 335.407 3.621 20 30 EHEDHN C=CCOc1ccc(C(=O)N(C2CCCC2)C2CCN(C)CC2)cc1 ZINC001148463539 1137425281 /nfs/dbraw/zinc/42/52/81/1137425281.db2.gz KEJRIUMUVQUZAJ-UHFFFAOYSA-N 0 3 342.483 3.730 20 30 EHEDHN N=C(N[C@H]1CCc2c(F)cc(F)cc2C1)c1ccc2ccccc2n1 ZINC001171347859 1137456136 /nfs/dbraw/zinc/45/61/36/1137456136.db2.gz AWWHMZYIGWDQSO-HNNXBMFYSA-N 0 3 337.373 3.776 20 30 EHEDHN COC(=O)c1cccc(CN[C@H]2CCCC23CCCCC3)c1C#N ZINC001171931814 1137521495 /nfs/dbraw/zinc/52/14/95/1137521495.db2.gz QQQNLGYGRWMOSV-SFHVURJKSA-N 0 3 326.440 3.937 20 30 EHEDHN CCOc1cccc(N2CCN([C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172310909 1137545941 /nfs/dbraw/zinc/54/59/41/1137545941.db2.gz LNCKEOPJXUCBNK-SFHVURJKSA-N 0 3 349.478 3.710 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2cccc(F)c2C#N)CC1 ZINC000873112030 1137590304 /nfs/dbraw/zinc/59/03/04/1137590304.db2.gz MDPAFQWUCMLTLW-HNNXBMFYSA-N 0 3 347.434 3.577 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1CCC=CCC1 ZINC000873497041 1137600914 /nfs/dbraw/zinc/60/09/14/1137600914.db2.gz CBJOBZOTJROZPH-ZDUSSCGKSA-N 0 3 334.778 3.873 20 30 EHEDHN CC(C)OC1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCC1 ZINC000873499097 1137601097 /nfs/dbraw/zinc/60/10/97/1137601097.db2.gz XAEUUMRHMQIUEL-GFCCVEGCSA-N 0 3 347.365 3.955 20 30 EHEDHN N#Cc1ccccc1OC1CCN(Cc2ccc3nccnc3c2)CC1 ZINC001137089888 1137633837 /nfs/dbraw/zinc/63/38/37/1137633837.db2.gz CTVUOQMJDHKJCZ-UHFFFAOYSA-N 0 3 344.418 3.545 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000876601511 1137656808 /nfs/dbraw/zinc/65/68/08/1137656808.db2.gz UYBXBAYXWSAAMB-AWEZNQCLSA-N 0 3 331.803 3.627 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000876618496 1137657263 /nfs/dbraw/zinc/65/72/63/1137657263.db2.gz WWLWSQXFNMUIKR-ZWKOTPCHSA-N 0 3 328.843 3.973 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000876642594 1137657948 /nfs/dbraw/zinc/65/79/48/1137657948.db2.gz GEZLUAHUDCGTDS-CYBMUJFWSA-N 0 3 348.796 3.569 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000876646298 1137658112 /nfs/dbraw/zinc/65/81/12/1137658112.db2.gz UDCDBHONZAQWPP-IUODEOHRSA-N 0 3 326.893 3.834 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](Cc1ccccc1)c1sccc1C ZINC000876671242 1137658634 /nfs/dbraw/zinc/65/86/34/1137658634.db2.gz WYOJSRFNPNSFBY-HZPDHXFCSA-N 0 3 348.899 3.926 20 30 EHEDHN CN(C)c1ccc(C#N)cc1CN1CCCO[C@@H](c2ccccc2)C1 ZINC000876683451 1137658966 /nfs/dbraw/zinc/65/89/66/1137658966.db2.gz BTJUWWKFVRLKPU-OAQYLSRUSA-N 0 3 335.451 3.588 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000876698527 1137659363 /nfs/dbraw/zinc/65/93/63/1137659363.db2.gz RGAPSMZRBAZSKK-UONOGXRCSA-N 0 3 330.806 3.638 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000876885237 1137664579 /nfs/dbraw/zinc/66/45/79/1137664579.db2.gz JUOCYNSWDJSDNC-GJZGRUSLSA-N 0 3 327.255 3.864 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000876893091 1137664750 /nfs/dbraw/zinc/66/47/50/1137664750.db2.gz ICYZSGIEAIHTIQ-RYUDHWBXSA-N 0 3 329.897 3.564 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000876952527 1137666141 /nfs/dbraw/zinc/66/61/41/1137666141.db2.gz SFFHBUSIUOZHLE-ZDUSSCGKSA-N 0 3 335.662 3.512 20 30 EHEDHN CC(C)(C)c1csc(CCNCc2cc(C#N)cnc2Cl)n1 ZINC000877015213 1137667698 /nfs/dbraw/zinc/66/76/98/1137667698.db2.gz IBPOJIYUAURXKX-UHFFFAOYSA-N 0 3 334.876 3.693 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(C(C)(C)c2ccccc2)cs1 ZINC000877129743 1137670980 /nfs/dbraw/zinc/67/09/80/1137670980.db2.gz OSBAZIBZDPGYIO-ZDUSSCGKSA-N 0 3 349.887 3.877 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@H](Sc3ccncc3)C2)cc1 ZINC001137119292 1137674695 /nfs/dbraw/zinc/67/46/95/1137674695.db2.gz DLTWYEFZZCYYBQ-IBGZPJMESA-N 0 3 339.464 3.741 20 30 EHEDHN CSC[C@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878646725 1137723531 /nfs/dbraw/zinc/72/35/31/1137723531.db2.gz GRDHRCJULHQOCJ-PKOBYXMFSA-N 0 3 330.497 3.502 20 30 EHEDHN C=CCC[C@@H](NCc1cc(-c2ccccc2OC)no1)[C@H]1CCCO1 ZINC000883237339 1137849982 /nfs/dbraw/zinc/84/99/82/1137849982.db2.gz YTBQGVZHOLSYIM-YLJYHZDGSA-N 0 3 342.439 3.954 20 30 EHEDHN COc1ccc([C@@H](NCC(=O)Nc2sccc2C#N)C(C)C)cc1 ZINC000102693288 1137873719 /nfs/dbraw/zinc/87/37/19/1137873719.db2.gz ITZRPXCCCFUPAQ-KRWDZBQOSA-N 0 3 343.452 3.554 20 30 EHEDHN CCCCN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)[C@@H](C)c1ccccc1 ZINC000884148889 1137917409 /nfs/dbraw/zinc/91/74/09/1137917409.db2.gz WAHDDJFTSXIOGO-OMMGITJUSA-N 0 3 339.483 3.516 20 30 EHEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000331783266 1137920416 /nfs/dbraw/zinc/92/04/16/1137920416.db2.gz IGFRAFBZAXHGTC-DYESRHJHSA-N 0 3 339.483 3.875 20 30 EHEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331905180 1137925157 /nfs/dbraw/zinc/92/51/57/1137925157.db2.gz IEDWZFOOUHAVAV-CQSZACIVSA-N 0 3 343.496 3.868 20 30 EHEDHN C=CCC[C@H](N[C@H]1CCCn2nc(C(=O)OC)cc21)c1ccccc1 ZINC000886553431 1138095530 /nfs/dbraw/zinc/09/55/30/1138095530.db2.gz NCHYUYDETAQXPD-IRXDYDNUSA-N 0 3 339.439 3.802 20 30 EHEDHN CSc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1C#N ZINC000886686468 1138115174 /nfs/dbraw/zinc/11/51/74/1138115174.db2.gz QQLQWXYYXFFHQD-CYBMUJFWSA-N 0 3 340.448 3.902 20 30 EHEDHN C[C@@H](Cn1cc(Br)cn1)N[C@H](CCC#N)c1ccccc1 ZINC000090665307 1138212559 /nfs/dbraw/zinc/21/25/59/1138212559.db2.gz UYJPHUYRCVGQAM-XJKSGUPXSA-N 0 3 347.260 3.669 20 30 EHEDHN C#CCC1(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOCC1 ZINC000887122112 1138218420 /nfs/dbraw/zinc/21/84/20/1138218420.db2.gz LFOFHJWKKXINMF-UHFFFAOYSA-N 0 3 343.210 3.564 20 30 EHEDHN C[C@@H](c1ccsc1)N1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000337205102 1138494801 /nfs/dbraw/zinc/49/48/01/1138494801.db2.gz JVFHIQCETBRAGW-KRWDZBQOSA-N 0 3 347.528 3.527 20 30 EHEDHN CN(C)Cc1cccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000887704814 1138696837 /nfs/dbraw/zinc/69/68/37/1138696837.db2.gz VMFQTQGUZBCVEN-UHFFFAOYSA-N 0 3 347.462 3.640 20 30 EHEDHN CN(Cc1ccc(OCC#N)cc1)Cc1ccccc1N1CCCC1 ZINC000265055544 1138714153 /nfs/dbraw/zinc/71/41/53/1138714153.db2.gz XTDNOJKGSLUHCC-UHFFFAOYSA-N 0 3 335.451 3.821 20 30 EHEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000136245742 1138792316 /nfs/dbraw/zinc/79/23/16/1138792316.db2.gz BYNZWSNEOGXXSV-CYBMUJFWSA-N 0 3 337.398 3.897 20 30 EHEDHN CCCN(C(=O)C#CC(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000889489781 1139218465 /nfs/dbraw/zinc/21/84/65/1139218465.db2.gz YLGQIUGQKBKFRE-UHFFFAOYSA-N 0 3 326.484 3.549 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3sccc3nc2Cl)CC1 ZINC000826662747 1139290876 /nfs/dbraw/zinc/29/08/76/1139290876.db2.gz OBJJFXPLPADHQI-UHFFFAOYSA-N 0 3 349.887 3.720 20 30 EHEDHN COc1cccc([C@@H](C)N2CCN(CCCC(C)(C)C#N)CC2)c1 ZINC000174846981 1139445988 /nfs/dbraw/zinc/44/59/88/1139445988.db2.gz ACTPTTSMQRJORT-QGZVFWFLSA-N 0 3 329.488 3.704 20 30 EHEDHN CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181448625 1139907820 /nfs/dbraw/zinc/90/78/20/1139907820.db2.gz XIGCNRBPWDWZPF-INIZCTEOSA-N 0 3 335.451 3.891 20 30 EHEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000181866956 1139937436 /nfs/dbraw/zinc/93/74/36/1139937436.db2.gz KSQYYETZAQBLHZ-OAHLLOKOSA-N 0 3 348.516 3.742 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192044190 1140499391 /nfs/dbraw/zinc/49/93/91/1140499391.db2.gz KXKWBSXFKVDORK-MJGOQNOKSA-N 0 3 342.826 3.840 20 30 EHEDHN CCN1CCN(c2ccc(N[C@H]3CCC[C@@H](C#N)C3)c(C)c2)CC1 ZINC000193072672 1140561654 /nfs/dbraw/zinc/56/16/54/1140561654.db2.gz LZAZPARSWPZJOV-MSOLQXFVSA-N 0 3 326.488 3.631 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000266702373 1140717519 /nfs/dbraw/zinc/71/75/19/1140717519.db2.gz GWTMAVXHVQDNHV-SFHVURJKSA-N 0 3 347.890 3.837 20 30 EHEDHN CCCCCC#CC(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001274439626 1140981510 /nfs/dbraw/zinc/98/15/10/1140981510.db2.gz UJWZJXKLTHTAMD-HOTGVXAUSA-N 0 3 344.421 3.588 20 30 EHEDHN N#Cc1cccc(C2(NC(=O)c3cccc(CN4CCCC4)c3)CC2)c1 ZINC000269616942 1141127576 /nfs/dbraw/zinc/12/75/76/1141127576.db2.gz PDRSQFIUAKOSFO-UHFFFAOYSA-N 0 3 345.446 3.573 20 30 EHEDHN CC(C)CN1CCN(c2nc3cc(F)ccc3c(Cl)c2C#N)CC1 ZINC001164659913 719340340 /nfs/dbraw/zinc/34/03/40/719340340.db2.gz GGCCXIOZPXSJLX-UHFFFAOYSA-N 0 3 346.837 3.677 20 30 EHEDHN C[C@H](CCC(=O)C(C#N)C(=O)NCc1ccccc1)c1ccccc1 ZINC000160147753 1014143567 /nfs/dbraw/zinc/14/35/67/1014143567.db2.gz YIQSTALEQITCGA-VQIMIIECSA-N 0 3 334.419 3.596 20 30 EHEDHN CCc1ncsc1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000160167917 1014178333 /nfs/dbraw/zinc/17/83/33/1014178333.db2.gz PTBKWWOCIZYWPR-CQSZACIVSA-N 0 3 349.415 3.820 20 30 EHEDHN Cc1ccccc1[C@H](NCc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000579710088 1014247799 /nfs/dbraw/zinc/24/77/99/1014247799.db2.gz AGJKYBKMAARRED-SFHVURJKSA-N 0 3 333.439 3.786 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186931311 1014614180 /nfs/dbraw/zinc/61/41/80/1014614180.db2.gz VMVOZYNYXOEYRF-INIZCTEOSA-N 0 3 338.426 3.828 20 30 EHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](CC2CC2)C1 ZINC000339678335 1015507051 /nfs/dbraw/zinc/50/70/51/1015507051.db2.gz MDLMQXHLPOQGFT-TZMCWYRMSA-N 0 3 331.847 3.661 20 30 EHEDHN CC(C)c1ccccc1OC[C@@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000027208209 1016343803 /nfs/dbraw/zinc/34/38/03/1016343803.db2.gz JOMWSXNWSWMQDW-IBGZPJMESA-N 0 3 338.451 3.553 20 30 EHEDHN C[C@H](Nc1cccc2cc([C@@H]3CNCCO3)cn21)c1cccc(C#N)c1 ZINC001167711197 1016812552 /nfs/dbraw/zinc/81/25/52/1016812552.db2.gz ZUXOXTFFWBVGEF-YWZLYKJASA-N 0 3 346.434 3.645 20 30 EHEDHN CCCCCC(=O)NC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000275515591 1016952461 /nfs/dbraw/zinc/95/24/61/1016952461.db2.gz DHPZSHPDRJYQFK-MRXNPFEDSA-N 0 3 327.472 3.780 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCN(C)c4ccccc43)nc21 ZINC000892706682 1016980575 /nfs/dbraw/zinc/98/05/75/1016980575.db2.gz XDQZNRSSTVVHOF-HOTGVXAUSA-N 0 3 344.418 3.671 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CCN(C)c4ccccc43)[nH]c21 ZINC000892706682 1016980583 /nfs/dbraw/zinc/98/05/83/1016980583.db2.gz XDQZNRSSTVVHOF-HOTGVXAUSA-N 0 3 344.418 3.671 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCN(C)c4ccccc43)nc21 ZINC000892706683 1016982379 /nfs/dbraw/zinc/98/23/79/1016982379.db2.gz XDQZNRSSTVVHOF-HZPDHXFCSA-N 0 3 344.418 3.671 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CCN(C)c4ccccc43)[nH]c21 ZINC000892706683 1016982388 /nfs/dbraw/zinc/98/23/88/1016982388.db2.gz XDQZNRSSTVVHOF-HZPDHXFCSA-N 0 3 344.418 3.671 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CNC1(c2cccc(Cl)c2)CCCC1 ZINC000538224784 1032226223 /nfs/dbraw/zinc/22/62/23/1032226223.db2.gz JQDHDOMQWIVNTH-OAHLLOKOSA-N 0 3 347.890 3.707 20 30 EHEDHN N#Cc1cccc(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000050273496 1032337110 /nfs/dbraw/zinc/33/71/10/1032337110.db2.gz PIKKFKKHLNSNKO-IBGZPJMESA-N 0 3 339.826 3.891 20 30 EHEDHN COc1ccc(C)cc1[C@@H](C)NCCOc1ccc(C#N)cc1OC ZINC000459665743 1032392674 /nfs/dbraw/zinc/39/26/74/1032392674.db2.gz KOKTYNLHJIRWFU-OAHLLOKOSA-N 0 3 340.423 3.614 20 30 EHEDHN CC(C)c1cccc(OCC(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000128183607 1032520939 /nfs/dbraw/zinc/52/09/39/1032520939.db2.gz VODZVRKCRSMRGO-GOSISDBHSA-N 0 3 336.391 3.536 20 30 EHEDHN C=CCC[C@H](NCC(=O)NCCc1ccc(F)cc1)c1ccccc1 ZINC000537157455 1032540347 /nfs/dbraw/zinc/54/03/47/1032540347.db2.gz HJSBTNRYSJFFFH-FQEVSTJZSA-N 0 3 340.442 3.782 20 30 EHEDHN C=CC[C@@H]1N(C(=O)Nc2ccc3c(c2)OCCNC3)CCCC1(C)C ZINC000528711395 1032647475 /nfs/dbraw/zinc/64/74/75/1032647475.db2.gz ZWXLYWGTJRTRKX-SFHVURJKSA-N 0 3 343.471 3.767 20 30 EHEDHN N#Cc1ccc(CNCCc2nc(-c3ccc(Cl)cc3)no2)s1 ZINC000176966340 1017545442 /nfs/dbraw/zinc/54/54/42/1017545442.db2.gz DFNODFXFDLABMC-UHFFFAOYSA-N 0 3 344.827 3.655 20 30 EHEDHN COc1ccc(C)cc1[C@@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000341011851 1017693352 /nfs/dbraw/zinc/69/33/52/1017693352.db2.gz KDSKSESSAWJRLW-OAHLLOKOSA-N 0 3 337.423 3.555 20 30 EHEDHN CC(C)C[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000341018363 1017779884 /nfs/dbraw/zinc/77/98/84/1017779884.db2.gz QYNDBRWMWJLBRA-FQEVSTJZSA-N 0 3 335.451 3.551 20 30 EHEDHN CCN(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000593073044 1032768740 /nfs/dbraw/zinc/76/87/40/1032768740.db2.gz OEAHBCIDVKVVAP-LSDHHAIUSA-N 0 3 340.345 3.659 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOc1ccccc1 ZINC000122718708 1018600205 /nfs/dbraw/zinc/60/02/05/1018600205.db2.gz OJPFKWHMWQUJPU-MRXNPFEDSA-N 0 3 333.391 3.609 20 30 EHEDHN C[C@@H]1CC[C@H](c2ccccc2)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580196648 1018772422 /nfs/dbraw/zinc/77/24/22/1018772422.db2.gz XLNAYCCDFDKBPH-DNVCBOLYSA-N 0 3 331.423 3.574 20 30 EHEDHN N#Cc1cccc(CN2CCC(c3ccc4cccnc4n3)CC2)c1 ZINC000594019091 1032789941 /nfs/dbraw/zinc/78/99/41/1032789941.db2.gz FYBJXIKPKCASHM-UHFFFAOYSA-N 0 3 328.419 3.881 20 30 EHEDHN C=CCOCCN1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000549921615 1019109734 /nfs/dbraw/zinc/10/97/34/1019109734.db2.gz HSAAFFABDQUNKL-QGZVFWFLSA-N 0 3 347.503 3.965 20 30 EHEDHN C=CCCN(C)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000467283346 1019368969 /nfs/dbraw/zinc/36/89/69/1019368969.db2.gz IRJFODIXZRHOSV-OAQYLSRUSA-N 0 3 340.442 3.881 20 30 EHEDHN CSc1cc(Br)ccc1CNCC1(CC#N)CC1 ZINC000430017875 1019781864 /nfs/dbraw/zinc/78/18/64/1019781864.db2.gz JSCJJTWNAZIOLA-UHFFFAOYSA-N 0 3 325.275 3.954 20 30 EHEDHN N#Cc1ccc2ncc(CN3CCC[C@H](Cc4ccccc4)C3)n2c1 ZINC000513641700 1019887746 /nfs/dbraw/zinc/88/77/46/1019887746.db2.gz FXTQSEQKWSDJDF-GOSISDBHSA-N 0 3 330.435 3.661 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1-c1ccccc1C ZINC000760333696 1032874578 /nfs/dbraw/zinc/87/45/78/1032874578.db2.gz MFZDAHKKNGSDLN-QGZVFWFLSA-N 0 3 330.391 3.683 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1-c1ccc(F)cc1 ZINC000760347587 1032888268 /nfs/dbraw/zinc/88/82/68/1032888268.db2.gz WPLVOQJHGKJQNW-QGZVFWFLSA-N 0 3 334.354 3.513 20 30 EHEDHN COc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)c2ccccc12 ZINC000897602444 1032931047 /nfs/dbraw/zinc/93/10/47/1032931047.db2.gz PHUGXDJLMJUAGL-UHFFFAOYSA-N 0 3 337.419 3.686 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c(OC)c1 ZINC000430604366 1020930155 /nfs/dbraw/zinc/93/01/55/1020930155.db2.gz PZCSSAVGAYRLRW-CYBMUJFWSA-N 0 3 344.436 3.948 20 30 EHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000076735308 1123516950 /nfs/dbraw/zinc/51/69/50/1123516950.db2.gz QMFPVEVSPLWQQA-CYBMUJFWSA-N 0 3 339.277 3.983 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN(Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000507688957 1021443423 /nfs/dbraw/zinc/44/34/23/1021443423.db2.gz QDQUUVSIGPINDK-QGZVFWFLSA-N 0 3 344.499 3.720 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000602604100 1033021448 /nfs/dbraw/zinc/02/14/48/1033021448.db2.gz WMLFUTUGOHZUNI-OALUTQOASA-N 0 3 345.462 3.975 20 30 EHEDHN C=CCN(Cc1c(C)nn(CC(=O)OCC)c1C)CC1CCCCC1 ZINC000438119439 1022385193 /nfs/dbraw/zinc/38/51/93/1022385193.db2.gz JVUXPHXKOFBCEM-UHFFFAOYSA-N 0 3 347.503 3.631 20 30 EHEDHN CC[C@@H]1CCCN1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328834321 1022509198 /nfs/dbraw/zinc/50/91/98/1022509198.db2.gz LQWYRXXLWQPPJG-LZUXJJCOSA-N 0 3 333.476 3.700 20 30 EHEDHN O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)N[C@H]1CCCc2ccccc21 ZINC000328865981 1022521180 /nfs/dbraw/zinc/52/11/80/1022521180.db2.gz BVTCIGIDUIMTSU-SQGPQFPESA-N 0 3 341.455 3.508 20 30 EHEDHN Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000328888828 1022527429 /nfs/dbraw/zinc/52/74/29/1022527429.db2.gz PXEJEGGTDYSDDN-BOFPYLFWSA-N 0 3 340.471 3.542 20 30 EHEDHN CC[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000438502598 1022714497 /nfs/dbraw/zinc/71/44/97/1022714497.db2.gz COQMZTDLWMQMIV-ZWKOTPCHSA-N 0 3 327.472 3.671 20 30 EHEDHN COc1cccc(C2=CCN(CCOc3ccc(C#N)cc3)CC2)c1 ZINC000476253942 1033074755 /nfs/dbraw/zinc/07/47/55/1033074755.db2.gz FZOMINOEXCBPAK-UHFFFAOYSA-N 0 3 334.419 3.735 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn([C@@H](C)CC)c2C)CC1 ZINC000331143732 1022754596 /nfs/dbraw/zinc/75/45/96/1022754596.db2.gz RSOQDHISELTOTQ-AWEZNQCLSA-N 0 3 333.480 3.529 20 30 EHEDHN Cc1ccccc1C(C)(C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000550262433 1022915361 /nfs/dbraw/zinc/91/53/61/1022915361.db2.gz GQHCPOYEDUEYRO-FQEVSTJZSA-N 0 3 347.462 3.887 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](CC(C)C)c2cccs2)CC1 ZINC000518022825 1022937037 /nfs/dbraw/zinc/93/70/37/1022937037.db2.gz HRQKVNHKVSJYRR-INIZCTEOSA-N 0 3 335.517 3.785 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000426794462 1023051863 /nfs/dbraw/zinc/05/18/63/1023051863.db2.gz RPHMTQPQUWGUIV-RTBURBONSA-N 0 3 339.483 3.672 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1N1CCOCC1 ZINC000341761750 1023279575 /nfs/dbraw/zinc/27/95/75/1023279575.db2.gz RLWYQJFKNIXVJG-OAQYLSRUSA-N 0 3 347.462 3.562 20 30 EHEDHN Cc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)c(F)c2)c(C)c1 ZINC000449735893 1033134968 /nfs/dbraw/zinc/13/49/68/1033134968.db2.gz KINZRXYHVSQURS-OAHLLOKOSA-N 0 3 339.414 3.821 20 30 EHEDHN N#Cc1cccc(C2(NCc3nccc4ccccc43)CCOCC2)c1 ZINC000895277332 1024174821 /nfs/dbraw/zinc/17/48/21/1024174821.db2.gz FQTKEUZDZLWVLY-UHFFFAOYSA-N 0 3 343.430 3.902 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000425128320 1024272580 /nfs/dbraw/zinc/27/25/80/1024272580.db2.gz KFZOWKMSMHLOEK-QGZVFWFLSA-N 0 3 347.462 3.987 20 30 EHEDHN C[C@H](NC(=O)C1CCC(NC(=O)C2CC2)CC1)C1=CCN(C)CC1 ZINC000330027007 1024294781 /nfs/dbraw/zinc/29/47/81/1024294781.db2.gz MJNXHIOWHIKNIS-IGEOTXOUSA-N 0 3 333.476 3.519 20 30 EHEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000330188546 1024347549 /nfs/dbraw/zinc/34/75/49/1024347549.db2.gz LEWPBNSYNKALMX-RCCFBDPRSA-N 0 3 330.476 3.539 20 30 EHEDHN N#CCOc1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000178993205 1024364909 /nfs/dbraw/zinc/36/49/09/1024364909.db2.gz JOISTDCOTQCTHF-UHFFFAOYSA-N 0 3 336.313 3.619 20 30 EHEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(F)cc1Cl ZINC000330241616 1024369277 /nfs/dbraw/zinc/36/92/77/1024369277.db2.gz FTDAJLGGXMHTGZ-AMFBXLIHSA-N 0 3 326.799 3.613 20 30 EHEDHN C[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)N1[C@H](C)CC[C@@H]1C ZINC000346167786 1024483215 /nfs/dbraw/zinc/48/32/15/1024483215.db2.gz ZUDXREPZFDRAAL-KSZLIROESA-N 0 3 347.462 3.681 20 30 EHEDHN N#Cc1cccc(CN2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000895564680 1024616431 /nfs/dbraw/zinc/61/64/31/1024616431.db2.gz ZBIUJJGKZANBSI-QGZVFWFLSA-N 0 3 343.434 3.723 20 30 EHEDHN Cc1ccc(C)c([C@@H]2CCCN2CC(=O)NCc2cccc(C#N)c2)c1 ZINC000474235065 1024624070 /nfs/dbraw/zinc/62/40/70/1024624070.db2.gz BRUMZXXWJOPPKF-NRFANRHFSA-N 0 3 347.462 3.628 20 30 EHEDHN COC(=O)c1cccc(CN[C@@H](C)C(C)(C)c2ccccc2)c1C#N ZINC000539254534 1025005599 /nfs/dbraw/zinc/00/55/99/1025005599.db2.gz AKSGMDWBNWAHMN-HNNXBMFYSA-N 0 3 336.435 3.801 20 30 EHEDHN N#CC(C(=O)c1cn2cc(Cl)cc(Cl)c2n1)c1ccccn1 ZINC000442081439 1025158875 /nfs/dbraw/zinc/15/88/75/1025158875.db2.gz CIRQCJQZRDNZRE-SNVBAGLBSA-N 0 3 331.162 3.526 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)C2CCC(C(C)(C)C)CC2)CC1 ZINC000521239651 1025292996 /nfs/dbraw/zinc/29/29/96/1025292996.db2.gz ROOCNAADCVCPFU-UHFFFAOYSA-N 0 3 335.536 3.883 20 30 EHEDHN COc1cc(CNC2(c3ccc(F)cc3)CCOCC2)ccc1C#N ZINC000281669256 1025351557 /nfs/dbraw/zinc/35/15/57/1025351557.db2.gz LLWULSDWEXIKJH-UHFFFAOYSA-N 0 3 340.398 3.501 20 30 EHEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@@H](Cc2nccs2)C1 ZINC000896527876 1025513271 /nfs/dbraw/zinc/51/32/71/1025513271.db2.gz JFAMUBBDDMRHPO-INIZCTEOSA-N 0 3 340.496 3.535 20 30 EHEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3ccc4ncccc4c3)C2)nc1 ZINC000896660914 1025800861 /nfs/dbraw/zinc/80/08/61/1025800861.db2.gz VJHCMXWGJJVXHI-IBGZPJMESA-N 0 3 343.434 3.578 20 30 EHEDHN CN1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000329394278 1025804615 /nfs/dbraw/zinc/80/46/15/1025804615.db2.gz STZMECNFRSDKMR-VQIMIIECSA-N 0 3 340.471 3.703 20 30 EHEDHN C[C@H](C(=O)NC1CC1)N1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000329438380 1025845189 /nfs/dbraw/zinc/84/51/89/1025845189.db2.gz KFVFXTAHEYRUSH-UKRRQHHQSA-N 0 3 345.491 3.539 20 30 EHEDHN C[C@H](C(=O)NC1CC1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329438380 1025845208 /nfs/dbraw/zinc/84/52/08/1025845208.db2.gz KFVFXTAHEYRUSH-UKRRQHHQSA-N 0 3 345.491 3.539 20 30 EHEDHN CC(C)Oc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc1C#N ZINC000444250936 1025971433 /nfs/dbraw/zinc/97/14/33/1025971433.db2.gz LGHCDJKURJWCHI-ZNMIVQPWSA-N 0 3 329.444 3.545 20 30 EHEDHN COc1ccc([C@H](NCc2cnc3ccc(C#N)cn23)C2CCC2)cc1 ZINC000897079417 1026310643 /nfs/dbraw/zinc/31/06/43/1026310643.db2.gz FSZMNYALOQRXQJ-OAQYLSRUSA-N 0 3 346.434 3.846 20 30 EHEDHN COc1ccc(N2CCN(CCCCC(C)(C)C#N)CC2)cc1F ZINC000277673131 1026511216 /nfs/dbraw/zinc/51/12/16/1026511216.db2.gz KBJLYWCUGAMTMQ-UHFFFAOYSA-N 0 3 333.451 3.676 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)CC1 ZINC000121296396 1026618478 /nfs/dbraw/zinc/61/84/78/1026618478.db2.gz XJYBWUHGHVIZRM-LJQANCHMSA-N 0 3 346.902 3.889 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc2ccccc2n1 ZINC000122632273 1026628089 /nfs/dbraw/zinc/62/80/89/1026628089.db2.gz ACYHVIANILQGSV-AWEZNQCLSA-N 0 3 326.359 3.612 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000186460281 1027239045 /nfs/dbraw/zinc/23/90/45/1027239045.db2.gz VOMSBDVZPCZJHH-OAHLLOKOSA-N 0 3 349.434 3.676 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCCC[C@@H]1c1ccccc1 ZINC000531841856 1027508421 /nfs/dbraw/zinc/50/84/21/1027508421.db2.gz PZQQVVGHKRETLC-PKOBYXMFSA-N 0 3 327.472 3.612 20 30 EHEDHN N#CCC1(CNCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000430040635 1027557258 /nfs/dbraw/zinc/55/72/58/1027557258.db2.gz QZFMUROTYXAHBF-UHFFFAOYSA-N 0 3 331.419 3.921 20 30 EHEDHN CC(C)(C)CN(CC#Cc1ccc(OC(F)(F)F)cc1)CCCO ZINC000533462598 1027918210 /nfs/dbraw/zinc/91/82/10/1027918210.db2.gz NKNIXMRSZMLITB-UHFFFAOYSA-N 0 3 343.389 3.667 20 30 EHEDHN Cc1cccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1C ZINC000115602927 1027982802 /nfs/dbraw/zinc/98/28/02/1027982802.db2.gz WGWZCHABFUEZJC-IRXDYDNUSA-N 0 3 327.472 3.685 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)CC1 ZINC000342919733 1028108568 /nfs/dbraw/zinc/10/85/68/1028108568.db2.gz JEFNFFBAPAZKOQ-AWEZNQCLSA-N 0 3 345.491 3.503 20 30 EHEDHN N#Cc1ccc(F)c(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000502535876 1028316226 /nfs/dbraw/zinc/31/62/26/1028316226.db2.gz NXZPZVQFYNHZOP-LJQANCHMSA-N 0 3 344.817 3.842 20 30 EHEDHN C=C(C)COc1cc(CNCc2cc(C)nc(C)c2)ccc1OC ZINC000421377260 1028336937 /nfs/dbraw/zinc/33/69/37/1028336937.db2.gz JISPYGGUWUZHAM-UHFFFAOYSA-N 0 3 326.440 3.952 20 30 EHEDHN C=CC[C@H](CC)NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000504060006 1028372047 /nfs/dbraw/zinc/37/20/47/1028372047.db2.gz RGUNUQKRWQHZDZ-PKOBYXMFSA-N 0 3 347.503 3.730 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000424135032 1028826000 /nfs/dbraw/zinc/82/60/00/1028826000.db2.gz YTXFTQAEUZVUEZ-QGZVFWFLSA-N 0 3 331.485 3.822 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN(C)[C@@H](C)C2CC2)ccc1Cl ZINC000161624278 1029244195 /nfs/dbraw/zinc/24/41/95/1029244195.db2.gz KSESKEFGLDPRRS-AWEZNQCLSA-N 0 3 333.863 3.625 20 30 EHEDHN C=C(C)C(C)(C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000424808843 1029353653 /nfs/dbraw/zinc/35/36/53/1029353653.db2.gz HINRPFVEMBNNEY-UHFFFAOYSA-N 0 3 332.410 3.510 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454925452 1029464113 /nfs/dbraw/zinc/46/41/13/1029464113.db2.gz YTZWBDPYMFZUSQ-HKUYNNGSSA-N 0 3 329.488 3.505 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454925467 1029465087 /nfs/dbraw/zinc/46/50/87/1029465087.db2.gz YTZWBDPYMFZUSQ-PKOBYXMFSA-N 0 3 329.488 3.505 20 30 EHEDHN CCCNC(=O)c1cccc(CN[C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000278178578 1029528604 /nfs/dbraw/zinc/52/86/04/1029528604.db2.gz DEOKHGYDQMLGSH-FQEVSTJZSA-N 0 3 335.451 3.939 20 30 EHEDHN C=CCN(CCc1ccco1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000272680355 1029816657 /nfs/dbraw/zinc/81/66/57/1029816657.db2.gz VGZPKCPSIVBGTO-UHFFFAOYSA-N 0 3 331.412 3.536 20 30 EHEDHN CC[C@@H](NCc1ccc(C(=O)OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000447582882 1030312349 /nfs/dbraw/zinc/31/23/49/1030312349.db2.gz ADBQGZLIRYKLJU-GOSISDBHSA-N 0 3 338.407 3.594 20 30 EHEDHN C[C@@H](O)C[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000447830603 1030520629 /nfs/dbraw/zinc/52/06/29/1030520629.db2.gz KZXVPJZULDJSKB-PBHICJAKSA-N 0 3 325.374 3.682 20 30 EHEDHN CC(C)(N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000447856282 1030545215 /nfs/dbraw/zinc/54/52/15/1030545215.db2.gz ZMZWFBYCJZUKCP-LJQANCHMSA-N 0 3 333.435 3.579 20 30 EHEDHN CCOc1ccccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000022850421 1030638784 /nfs/dbraw/zinc/63/87/84/1030638784.db2.gz ZWUXWKVZZHUHBQ-UHFFFAOYSA-N 0 3 349.478 3.665 20 30 EHEDHN N#CC1(NC(=O)CN[C@@H](CC2CCCCC2)c2ccccc2)CCC1 ZINC000527128410 1030654971 /nfs/dbraw/zinc/65/49/71/1030654971.db2.gz XYHYQYLUGVFQOO-IBGZPJMESA-N 0 3 339.483 3.850 20 30 EHEDHN COc1cc(Cl)c(CN2CCC3SC(=O)C=C3C2)c(Cl)c1 ZINC001142283449 1030656989 /nfs/dbraw/zinc/65/69/89/1030656989.db2.gz OJKHXRLQOKJKRR-CQSZACIVSA-N 0 3 344.263 3.776 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(C)c(C)o1 ZINC000128729115 1030714153 /nfs/dbraw/zinc/71/41/53/1030714153.db2.gz FLCVFIYBPSSBFC-INIZCTEOSA-N 0 3 338.407 3.982 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cc(C)c(C)o1 ZINC000128729115 1030714175 /nfs/dbraw/zinc/71/41/75/1030714175.db2.gz FLCVFIYBPSSBFC-INIZCTEOSA-N 0 3 338.407 3.982 20 30 EHEDHN N#Cc1cccc(OC2CCN(C[C@H]3CCC4(CCCC4)O3)CC2)c1 ZINC000583946990 1031189874 /nfs/dbraw/zinc/18/98/74/1031189874.db2.gz PXRDTOIQVLJBQW-HXUWFJFHSA-N 0 3 340.467 3.893 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000343583133 1031483200 /nfs/dbraw/zinc/48/32/00/1031483200.db2.gz LLLDVNHVGRMUSZ-OAQYLSRUSA-N 0 3 341.499 3.688 20 30 EHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H](n1cccn1)C(F)(F)F ZINC000527932477 1031495402 /nfs/dbraw/zinc/49/54/02/1031495402.db2.gz MUAQXATVLLLYCI-IAGOWNOFSA-N 0 3 348.372 3.915 20 30 EHEDHN CC(C)Cc1ccc([C@@H](N[C@H](C)C(=O)N(C)CCC#N)C2CC2)cc1 ZINC000343589234 1031517444 /nfs/dbraw/zinc/51/74/44/1031517444.db2.gz UVSTVCPEYAKNHG-OXQOHEQNSA-N 0 3 341.499 3.686 20 30 EHEDHN COC(=O)CCCN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000343614777 1031640002 /nfs/dbraw/zinc/64/00/02/1031640002.db2.gz QSLQHTMDHRZBIF-UHFFFAOYSA-N 0 3 336.435 3.708 20 30 EHEDHN Cc1cc(CNCc2cn(CCC#N)nc2-c2ccncc2)ccc1F ZINC000278628449 1031716403 /nfs/dbraw/zinc/71/64/03/1031716403.db2.gz KIOMDJKKZWSQOF-UHFFFAOYSA-N 0 3 349.413 3.596 20 30 EHEDHN CCCN1CCN(c2ccccc2CNc2cccc(C#N)c2)CC1 ZINC000537759592 1031893852 /nfs/dbraw/zinc/89/38/52/1031893852.db2.gz DOELHVHIPPCIAS-UHFFFAOYSA-N 0 3 334.467 3.702 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000448921502 1031894292 /nfs/dbraw/zinc/89/42/92/1031894292.db2.gz NIVQSEMMRQMXDD-WOJBJXKFSA-N 0 3 326.484 3.727 20 30 EHEDHN C=C(C)CN(CC)Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000468395556 1033299115 /nfs/dbraw/zinc/29/91/15/1033299115.db2.gz ODGSIKFCOPVDDP-UHFFFAOYSA-N 0 3 327.472 3.955 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000594437608 1033375233 /nfs/dbraw/zinc/37/52/33/1033375233.db2.gz MLKYHBPOZJVGFG-IBGZPJMESA-N 0 3 343.471 3.995 20 30 EHEDHN Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H](N)CCCCC#N)c1 ZINC000594447889 1033378522 /nfs/dbraw/zinc/37/85/22/1033378522.db2.gz WYPRJNHSFAPAOL-MOPGFXCFSA-N 0 3 327.472 3.850 20 30 EHEDHN CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)CCCCC#N ZINC000598666138 1033386859 /nfs/dbraw/zinc/38/68/59/1033386859.db2.gz ILDJUCVAWFVADT-KRWDZBQOSA-N 0 3 335.879 3.736 20 30 EHEDHN COc1ccccc1-c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594426993 1033388334 /nfs/dbraw/zinc/38/83/34/1033388334.db2.gz FUKQZHGZBOIYAX-GOSISDBHSA-N 0 3 337.423 3.712 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(CCc1ccccc1F)C1CCCC1 ZINC000594425675 1033388593 /nfs/dbraw/zinc/38/85/93/1033388593.db2.gz BGVAHTNLZFKNRP-IBGZPJMESA-N 0 3 345.462 3.551 20 30 EHEDHN C[C@@H](c1ccccc1Cl)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594426732 1033388804 /nfs/dbraw/zinc/38/88/04/1033388804.db2.gz GFTHNCNLMQKTKG-SUMWQHHRSA-N 0 3 333.863 3.803 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000594426809 1033389783 /nfs/dbraw/zinc/38/97/83/1033389783.db2.gz FMVBKHDTORHHIG-ZWKOTPCHSA-N 0 3 331.435 3.584 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000594426416 1033389983 /nfs/dbraw/zinc/38/99/83/1033389983.db2.gz CPWXZRGZNSLLOP-RTWAWAEBSA-N 0 3 347.462 3.572 20 30 EHEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000594499400 1033401738 /nfs/dbraw/zinc/40/17/38/1033401738.db2.gz DDAZLNNTHTWNDF-FQEVSTJZSA-N 0 3 347.462 3.773 20 30 EHEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCC2)ccc1-n1cncn1 ZINC000594521149 1033426483 /nfs/dbraw/zinc/42/64/83/1033426483.db2.gz RZENEQAISSLLKU-UHFFFAOYSA-N 0 3 343.434 3.616 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000611938024 1033446297 /nfs/dbraw/zinc/44/62/97/1033446297.db2.gz FYBLZGJWVUNZQO-OAQYLSRUSA-N 0 3 349.478 3.884 20 30 EHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1 ZINC000129828446 1033446569 /nfs/dbraw/zinc/44/65/69/1033446569.db2.gz SRIIXBMFOGERIH-ZBFHGGJFSA-N 0 3 336.391 3.536 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCCCc2cccc(Cl)c2)CC1 ZINC000171557775 1033511049 /nfs/dbraw/zinc/51/10/49/1033511049.db2.gz SACJWKUSMOCHJL-UHFFFAOYSA-N 0 3 349.906 3.612 20 30 EHEDHN CC(C)(NCc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(C#N)c1 ZINC000594966864 1033606240 /nfs/dbraw/zinc/60/62/40/1033606240.db2.gz BQVPRLQRJIMYKN-HXUWFJFHSA-N 0 3 336.435 3.751 20 30 EHEDHN N#CC(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1nc2ccccc2[nH]1 ZINC000173904817 1033613833 /nfs/dbraw/zinc/61/38/33/1033613833.db2.gz ZTLFBFQELFXPSD-KWCYVHTRSA-N 0 3 337.329 3.821 20 30 EHEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000173959765 1033630916 /nfs/dbraw/zinc/63/09/16/1033630916.db2.gz BBFIISGFNFATKS-YOEHRIQHSA-N 0 3 330.428 3.949 20 30 EHEDHN Cc1c([C@H](C)NCCc2ccc(C#N)cc2)nnn1-c1ccc(C)cc1 ZINC000595056811 1033635631 /nfs/dbraw/zinc/63/56/31/1033635631.db2.gz WVRUXOKHIDRDSI-INIZCTEOSA-N 0 3 345.450 3.649 20 30 EHEDHN C=CCC1(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)CCCCC1 ZINC000450122949 1033779646 /nfs/dbraw/zinc/77/96/46/1033779646.db2.gz TWEPAPTVGLUPSF-QZTJIDSGSA-N 0 3 336.520 3.519 20 30 EHEDHN Cn1c2ccccc2nc1[C@@H]1CCCN1CCc1ccc(C#N)cc1 ZINC000595384995 1033785142 /nfs/dbraw/zinc/78/51/42/1033785142.db2.gz RAQPMMQPHAFJLX-FQEVSTJZSA-N 0 3 330.435 3.825 20 30 EHEDHN C=CCSCCN[C@@H](C)c1ccccc1I ZINC000381465239 1033788085 /nfs/dbraw/zinc/78/80/85/1033788085.db2.gz MJBXZACSBINIIZ-NSHDSACASA-N 0 3 347.265 3.861 20 30 EHEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1Cl ZINC000593003124 1033796661 /nfs/dbraw/zinc/79/66/61/1033796661.db2.gz STNAPWSEZYKQTB-NWDGAFQWSA-N 0 3 346.736 3.898 20 30 EHEDHN N#Cc1ccc(CCN2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC000595504096 1033834656 /nfs/dbraw/zinc/83/46/56/1033834656.db2.gz FBOPYDQZXUJSJC-UHFFFAOYSA-N 0 3 341.405 3.591 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2ccccc2Cl)CCOCC1 ZINC000599265395 1033842801 /nfs/dbraw/zinc/84/28/01/1033842801.db2.gz QZQDBWVJBRMFHZ-CRAIPNDOSA-N 0 3 348.874 3.548 20 30 EHEDHN N#Cc1ccc(CNC[C@H](O)c2ccc(Cl)cc2Cl)s1 ZINC000176967845 1033893910 /nfs/dbraw/zinc/89/39/10/1033893910.db2.gz XGBMSFRPRLWTCJ-AWEZNQCLSA-N 0 3 327.236 3.750 20 30 EHEDHN CC[C@@H](C)N(CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000595597879 1033913267 /nfs/dbraw/zinc/91/32/67/1033913267.db2.gz BWECGRNZBSAQCA-LSDHHAIUSA-N 0 3 333.501 3.997 20 30 EHEDHN N#CC1(CCN(Cc2ccccc2)[C@@]2(CO)CCOC2)CCCCC1 ZINC000599395295 1033915423 /nfs/dbraw/zinc/91/54/23/1033915423.db2.gz BLGJGQAOWQZELB-OAQYLSRUSA-N 0 3 342.483 3.504 20 30 EHEDHN N#CC[C@@H]1CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000595614747 1033928006 /nfs/dbraw/zinc/92/80/06/1033928006.db2.gz NINBHBVNAIDJMT-ZDUSSCGKSA-N 0 3 330.819 3.558 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595844951 1034008993 /nfs/dbraw/zinc/00/89/93/1034008993.db2.gz JHIFRPJEVUELSX-VBNZEHGJSA-N 0 3 340.383 3.889 20 30 EHEDHN CCN(CC)c1ccc(/C=N\[C@H](C)C(=O)Nc2ccccc2)c(O)c1 ZINC000255661794 1034056796 /nfs/dbraw/zinc/05/67/96/1034056796.db2.gz ALOHIQKOVVXZBD-XWCAUFEOSA-N 0 3 339.439 3.685 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000596894129 1034429752 /nfs/dbraw/zinc/42/97/52/1034429752.db2.gz HHJMHLZHWXWEGL-MJGOQNOKSA-N 0 3 339.483 3.802 20 30 EHEDHN COc1ccc(CN(C)Cc2ccc(C3(C#N)CC3)cc2)cc1OC ZINC000596977631 1034476392 /nfs/dbraw/zinc/47/63/92/1034476392.db2.gz MMMFJMOQCKSUIR-UHFFFAOYSA-N 0 3 336.435 3.891 20 30 EHEDHN N#CC1(c2ccc(CN3CCC[C@@H](c4noc(C5CC5)n4)C3)cc2)CC1 ZINC000597028395 1034503541 /nfs/dbraw/zinc/50/35/41/1034503541.db2.gz YAMDBAVKPXSQRF-QGZVFWFLSA-N 0 3 348.450 3.882 20 30 EHEDHN CC(C)(C#N)c1ccc(CN[C@@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000597253790 1034642527 /nfs/dbraw/zinc/64/25/27/1034642527.db2.gz FCXTVFQNMFWQEF-FQEVSTJZSA-N 0 3 349.478 3.876 20 30 EHEDHN CC(C)(C#N)c1ccc(CN[C@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000597253791 1034643855 /nfs/dbraw/zinc/64/38/55/1034643855.db2.gz FCXTVFQNMFWQEF-HXUWFJFHSA-N 0 3 349.478 3.876 20 30 EHEDHN C=CCCC[N@@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000605150414 1034650570 /nfs/dbraw/zinc/65/05/70/1034650570.db2.gz XCCCVWKEQSISOB-UHFFFAOYSA-N 0 3 344.480 3.885 20 30 EHEDHN C=CCCC[N@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000605150414 1034650576 /nfs/dbraw/zinc/65/05/76/1034650576.db2.gz XCCCVWKEQSISOB-UHFFFAOYSA-N 0 3 344.480 3.885 20 30 EHEDHN C=CCOc1ccccc1CN[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000310653135 1035255256 /nfs/dbraw/zinc/25/52/56/1035255256.db2.gz KMZOAYFSNDQADV-IRXDYDNUSA-N 0 3 346.471 3.787 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]3CCC[C@@H]32)c1C ZINC000173808015 1035763709 /nfs/dbraw/zinc/76/37/09/1035763709.db2.gz NSORPVVEFSMIQM-ICSRJNTNSA-N 0 3 339.483 3.815 20 30 EHEDHN Cc1cc(CNCc2ccc(C(=O)N3CCCCC3)cc2)ccc1C#N ZINC000443961358 1035958736 /nfs/dbraw/zinc/95/87/36/1035958736.db2.gz IBFUGLJORANILI-UHFFFAOYSA-N 0 3 347.462 3.783 20 30 EHEDHN C=CCN(CCC(=O)Nc1cccc(F)c1)Cc1cccc(C#N)c1 ZINC000063388184 1036116813 /nfs/dbraw/zinc/11/68/13/1036116813.db2.gz KPIVTUQFGLHQEX-UHFFFAOYSA-N 0 3 337.398 3.714 20 30 EHEDHN C=CCc1cc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)cc(OC)c1O ZINC000628390947 1036163143 /nfs/dbraw/zinc/16/31/43/1036163143.db2.gz QRDHBOLHQXYOIW-CHWSQXEVSA-N 0 3 325.399 3.852 20 30 EHEDHN CN(C)CCN(C(=O)c1cccc(SCC#N)c1)c1ccccc1 ZINC000175701438 1036519387 /nfs/dbraw/zinc/51/93/87/1036519387.db2.gz GMCOVYBTQKGKRC-UHFFFAOYSA-N 0 3 339.464 3.511 20 30 EHEDHN C#CCN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C)C1CCN(C)CC1 ZINC000914120955 1036690729 /nfs/dbraw/zinc/69/07/29/1036690729.db2.gz GNSGPISAPQKTAB-IBGZPJMESA-N 0 3 341.499 3.513 20 30 EHEDHN C=CCCCN(C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000532414655 1036900332 /nfs/dbraw/zinc/90/03/32/1036900332.db2.gz TXBFTVRSRXJIBX-UHFFFAOYSA-N 0 3 329.271 3.550 20 30 EHEDHN C=CCN1CC[C@H](N2CCc3ccccc3[C@@H]2Cc2ccccc2)C1=O ZINC001168207862 1037599853 /nfs/dbraw/zinc/59/98/53/1037599853.db2.gz FTLXFSANSZUSCI-VXKWHMMOSA-N 0 3 346.474 3.615 20 30 EHEDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000030148782 1037638943 /nfs/dbraw/zinc/63/89/43/1037638943.db2.gz GLOITFBOSZGMMR-CYBMUJFWSA-N 0 3 333.501 3.803 20 30 EHEDHN CCOC(=O)c1ccc(-c2ccc(CN[C@@H]3CC[C@H](C#N)C3)o2)cc1 ZINC000591838608 1037647951 /nfs/dbraw/zinc/64/79/51/1037647951.db2.gz WHGJMTHDAYLDRK-WMLDXEAASA-N 0 3 338.407 3.905 20 30 EHEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000428804055 1037706754 /nfs/dbraw/zinc/70/67/54/1037706754.db2.gz SNYVOKUJFWOLDQ-MRXNPFEDSA-N 0 3 347.340 3.625 20 30 EHEDHN C=CCN1CCC(NC(=O)CCc2ccc(-c3ccccc3)o2)CC1 ZINC000592069411 1037826313 /nfs/dbraw/zinc/82/63/13/1037826313.db2.gz IXMGHDGTBCIKDU-UHFFFAOYSA-N 0 3 338.451 3.646 20 30 EHEDHN CN(C(=O)CNC1(c2ccccc2)CCCC1)C1(C#N)CCCCC1 ZINC000540393179 1037884246 /nfs/dbraw/zinc/88/42/46/1037884246.db2.gz HBMMZRANPFGTMT-UHFFFAOYSA-N 0 3 339.483 3.730 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)c(F)c1 ZINC000592166842 1037914192 /nfs/dbraw/zinc/91/41/92/1037914192.db2.gz JLOGLCGIYXYEPP-SFTDATJTSA-N 0 3 338.426 3.655 20 30 EHEDHN CC(C)(C)OCc1cccc(CNCc2cnc3ccc(C#N)cn23)c1 ZINC000123558777 1038038780 /nfs/dbraw/zinc/03/87/80/1038038780.db2.gz GAGAUMJVOBRUGN-UHFFFAOYSA-N 0 3 348.450 3.811 20 30 EHEDHN CC(C)N(C(=O)CCCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592693929 1038100544 /nfs/dbraw/zinc/10/05/44/1038100544.db2.gz BYICCPLTGGGZDR-FQEVSTJZSA-N 0 3 341.499 3.972 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000539391617 1038889596 /nfs/dbraw/zinc/88/95/96/1038889596.db2.gz LNCOSISVNBXXJC-YQVWRLOYSA-N 0 3 329.488 3.866 20 30 EHEDHN N#CC1(c2ccccn2)CCN(CCCCOc2ccccc2)CC1 ZINC000554558295 1039474582 /nfs/dbraw/zinc/47/45/82/1039474582.db2.gz FWZRPXTVRDRPTM-UHFFFAOYSA-N 0 3 335.451 3.798 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc2ncsc2c1 ZINC000485835669 1039620296 /nfs/dbraw/zinc/62/02/96/1039620296.db2.gz ZOALIIRKNYYCLF-UONOGXRCSA-N 0 3 331.485 3.760 20 30 EHEDHN C=CCCC[C@@H](N)C(=O)Nc1nc(-c2cc(C)ccc2OC)cs1 ZINC000912121503 1039700831 /nfs/dbraw/zinc/70/08/31/1039700831.db2.gz FOJUOLXGUPHQOG-CQSZACIVSA-N 0 3 345.468 3.749 20 30 EHEDHN C=CCC[C@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2C)c1ccccc1 ZINC000893767448 1039703810 /nfs/dbraw/zinc/70/38/10/1039703810.db2.gz IAMSPTJHJXXGLZ-GBESFXJTSA-N 0 3 327.472 3.572 20 30 EHEDHN C#CCN(Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCc2ccccc21 ZINC000110107326 1039794649 /nfs/dbraw/zinc/79/46/49/1039794649.db2.gz AHKOPIXQEBNMPV-OAQYLSRUSA-N 0 3 328.415 3.651 20 30 EHEDHN CCN(Cc1ccccc1C(=O)N(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000417719865 1040187459 /nfs/dbraw/zinc/18/74/59/1040187459.db2.gz QWEXNVBKIZEXCF-MRXNPFEDSA-N 0 3 335.451 3.843 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000660310873 1040314186 /nfs/dbraw/zinc/31/41/86/1040314186.db2.gz BTXVWDNEOYTBLC-HSALFYBXSA-N 0 3 339.483 3.716 20 30 EHEDHN Cc1ccc([C@@H]2C[C@H](C)N([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)cc1 ZINC000490106992 1040345815 /nfs/dbraw/zinc/34/58/15/1040345815.db2.gz ZNXGKKXIPFZTND-MHYXUVESSA-N 0 3 341.499 3.616 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1CCCc1ccccc1 ZINC000486784129 1040441134 /nfs/dbraw/zinc/44/11/34/1040441134.db2.gz WVOCFUFXAILUHL-PZJWPPBQSA-N 0 3 341.499 3.528 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1CCCc1ccccc1 ZINC000486784130 1040442091 /nfs/dbraw/zinc/44/20/91/1040442091.db2.gz WVOCFUFXAILUHL-TZIWHRDSSA-N 0 3 341.499 3.528 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000433015333 1040450394 /nfs/dbraw/zinc/45/03/94/1040450394.db2.gz WOMPKYFDJSSRNL-MRXNPFEDSA-N 0 3 338.436 3.583 20 30 EHEDHN CN(C(=O)CN[C@@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000433015078 1040452527 /nfs/dbraw/zinc/45/25/27/1040452527.db2.gz VDCFJFJOTNJIET-IBGZPJMESA-N 0 3 327.472 3.802 20 30 EHEDHN Cn1cc(CNCc2cccc(OCc3ccccc3)c2)cc1C#N ZINC000310974659 1040461839 /nfs/dbraw/zinc/46/18/39/1040461839.db2.gz DWTQQBFBFWTIIK-UHFFFAOYSA-N 0 3 331.419 3.766 20 30 EHEDHN CCOc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1OC ZINC000236959191 1040502244 /nfs/dbraw/zinc/50/22/44/1040502244.db2.gz YZOPTQVSZOKFGT-OAHLLOKOSA-N 0 3 340.423 3.675 20 30 EHEDHN CC[C@@H]1CCCCN1C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433030658 1040507405 /nfs/dbraw/zinc/50/74/05/1040507405.db2.gz KUZIJXOVEBMOEA-RTBURBONSA-N 0 3 327.472 3.802 20 30 EHEDHN CN(C)C(=O)c1cccc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433040289 1040524947 /nfs/dbraw/zinc/52/49/47/1040524947.db2.gz QBHGKIRSGHXQFP-HXUWFJFHSA-N 0 3 335.451 3.913 20 30 EHEDHN C=CCN1CCC(Nc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000549488813 1040694967 /nfs/dbraw/zinc/69/49/67/1040694967.db2.gz HPCHZJRRLYIVIJ-UHFFFAOYSA-N 0 3 343.349 3.984 20 30 EHEDHN N#Cc1ccc(F)c(CN2CCC[C@@H](Cn3cnc4ccccc43)C2)c1 ZINC000614236050 1040788461 /nfs/dbraw/zinc/78/84/61/1040788461.db2.gz YOWVSHPATAWWLZ-QGZVFWFLSA-N 0 3 348.425 3.959 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1OCCN1CCCN(c2ccccc2C#N)CC1 ZINC000491074364 1040886305 /nfs/dbraw/zinc/88/63/05/1040886305.db2.gz JBDMCARPHRWHCH-NQIIRXRSSA-N 0 3 341.499 3.666 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCOc4ccccc43)nc21 ZINC000842309231 1040899645 /nfs/dbraw/zinc/89/96/45/1040899645.db2.gz ZOFHWPXLUJTJFQ-HUUCEWRRSA-N 0 3 331.375 3.614 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CCOc4ccccc43)[nH]c21 ZINC000842309231 1040899656 /nfs/dbraw/zinc/89/96/56/1040899656.db2.gz ZOFHWPXLUJTJFQ-HUUCEWRRSA-N 0 3 331.375 3.614 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)SC)cc1 ZINC000156339685 1041126391 /nfs/dbraw/zinc/12/63/91/1041126391.db2.gz LRFHSIWGTWASHX-BBRMVZONSA-N 0 3 332.469 3.818 20 30 EHEDHN COc1ccc(C)cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055171801 1041139794 /nfs/dbraw/zinc/13/97/94/1041139794.db2.gz MFCUQQTVWSYZQM-UHFFFAOYSA-N 0 3 349.478 3.583 20 30 EHEDHN COC(=O)c1coc([C@H](C)NCCSCc2ccccc2C#N)c1 ZINC000278906546 1042901397 /nfs/dbraw/zinc/90/13/97/1042901397.db2.gz ZTTHUVUDGZDCJK-ZDUSSCGKSA-N 0 3 344.436 3.522 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)CC(C)(C)C1 ZINC000344023666 1043114780 /nfs/dbraw/zinc/11/47/80/1043114780.db2.gz BDCHOLPOSHFMAE-DLBZAZTESA-N 0 3 327.472 3.690 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H](C)CC(C)(C)C1 ZINC000344023672 1043115383 /nfs/dbraw/zinc/11/53/83/1043115383.db2.gz BDCHOLPOSHFMAE-SJORKVTESA-N 0 3 327.472 3.690 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C[C@@H]2CC=CCC2)c1 ZINC000344071299 1043207938 /nfs/dbraw/zinc/20/79/38/1043207938.db2.gz RWBNQDRPRQDHBZ-LJQANCHMSA-N 0 3 339.483 3.838 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C[C@H]2CC=CCC2)c1 ZINC000344071296 1043208055 /nfs/dbraw/zinc/20/80/55/1043208055.db2.gz RWBNQDRPRQDHBZ-IBGZPJMESA-N 0 3 339.483 3.838 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccccc2SC)CC1 ZINC000279489979 1044138810 /nfs/dbraw/zinc/13/88/10/1044138810.db2.gz JCKBGUGHXCLRFB-UHFFFAOYSA-N 0 3 347.528 3.590 20 30 EHEDHN C=CCOc1cccc(CN[C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000512214613 1044172289 /nfs/dbraw/zinc/17/22/89/1044172289.db2.gz QZJVZRFZVRKNEV-HXUWFJFHSA-N 0 3 336.435 3.537 20 30 EHEDHN CCC(C)(C)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000512282962 1044541318 /nfs/dbraw/zinc/54/13/18/1044541318.db2.gz OFLAWFOSXJHGPR-CQSZACIVSA-N 0 3 333.501 3.997 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000192591342 1126920054 /nfs/dbraw/zinc/92/00/54/1126920054.db2.gz DWVNCINGTGYFGC-BEFAXECRSA-N 0 3 330.472 3.549 20 30 EHEDHN C=CCC[C@H](NCc1cc(=O)n2cccc(C)c2n1)c1ccccc1 ZINC000180050937 1127114352 /nfs/dbraw/zinc/11/43/52/1127114352.db2.gz GNKPJOXBYHINSU-IBGZPJMESA-N 0 3 333.435 3.800 20 30 EHEDHN C=CCOc1c(Cl)cc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1OC ZINC000623753836 1127117673 /nfs/dbraw/zinc/11/76/73/1127117673.db2.gz FEORMBJQDAGZEN-GDBMZVCRSA-N 0 3 337.847 3.571 20 30 EHEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(F)c(Br)cc1F ZINC000623928611 1127215346 /nfs/dbraw/zinc/21/53/46/1127215346.db2.gz UXANBGBIDOFDEK-ZJUUUORDSA-N 0 3 334.204 3.563 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000106039747 1128479545 /nfs/dbraw/zinc/47/95/45/1128479545.db2.gz OOGWCIHPTJGDRQ-UHFFFAOYSA-N 0 3 327.255 3.764 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCC2CCCCC2)cc1 ZINC000131641574 1128492968 /nfs/dbraw/zinc/49/29/68/1128492968.db2.gz SEQGXTYGMLPMTO-KRWDZBQOSA-N 0 3 328.412 3.703 20 30 EHEDHN COc1ccccc1[C@@H](CNc1c(C#N)cccc1C#N)N1CCCC1 ZINC000302853448 1128651647 /nfs/dbraw/zinc/65/16/47/1128651647.db2.gz QUJQLCURNYGFBI-LJQANCHMSA-N 0 3 346.434 3.688 20 30 EHEDHN COc1ccc(C[C@@H](C)N(C)Cc2cn3ccccc3c2C#N)cc1 ZINC000109840910 1120126853 /nfs/dbraw/zinc/12/68/53/1120126853.db2.gz VWYSVTATKDCGQB-MRXNPFEDSA-N 0 3 333.435 3.883 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCSCC#N ZINC000185938247 1120436217 /nfs/dbraw/zinc/43/62/17/1120436217.db2.gz PDFXDVQFOLKCLD-JYJNAYRXSA-N 0 3 338.517 3.608 20 30 EHEDHN N#CC(C(=O)CCc1ccc(Br)cc1)c1ccccn1 ZINC000176526872 1120564268 /nfs/dbraw/zinc/56/42/68/1120564268.db2.gz SZVXFIWMSSNXRT-CQSZACIVSA-N 0 3 329.197 3.653 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000494718097 1120747457 /nfs/dbraw/zinc/74/74/57/1120747457.db2.gz AFVPAZCKBQHBOZ-DLBZAZTESA-N 0 3 335.517 3.881 20 30 EHEDHN COC[C@@H](Cc1ccccc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000542516607 1120882274 /nfs/dbraw/zinc/88/22/74/1120882274.db2.gz RUTRRZYYCPAECQ-LJQANCHMSA-N 0 3 347.380 3.904 20 30 EHEDHN Cc1ccc2ncc(C#N)c(NC[C@@H](c3ccco3)N3CCCC3)c2c1 ZINC000487915407 1121227196 /nfs/dbraw/zinc/22/71/96/1121227196.db2.gz RNRVEYVNAGCQIN-IBGZPJMESA-N 0 3 346.434 3.679 20 30 EHEDHN N#Cc1nnc2ccccc2c1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000311142863 1128983306 /nfs/dbraw/zinc/98/33/06/1128983306.db2.gz WIEVTOIRUAURTE-KRWDZBQOSA-N 0 3 343.434 3.578 20 30 EHEDHN N#CCCCCN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000171715269 1121506738 /nfs/dbraw/zinc/50/67/38/1121506738.db2.gz WTTLFPYARAYMLU-SFHVURJKSA-N 0 3 325.387 3.789 20 30 EHEDHN CCc1cc(CNCc2cccc(OCc3cccc(C#N)c3)c2)n[nH]1 ZINC000733900784 1122393893 /nfs/dbraw/zinc/39/38/93/1122393893.db2.gz INDQRJYEOAYPPI-UHFFFAOYSA-N 0 3 346.434 3.713 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1ccc(C)cc1C ZINC000497605631 1122607330 /nfs/dbraw/zinc/60/73/30/1122607330.db2.gz NAKMNPCHWSEORO-FQEVSTJZSA-N 0 3 325.452 3.731 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000917557361 1122636912 /nfs/dbraw/zinc/63/69/12/1122636912.db2.gz HUFCQQAVQVVSRT-CPNJWEJPSA-N 0 3 327.384 3.766 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000194588722 1122769988 /nfs/dbraw/zinc/76/99/88/1122769988.db2.gz GNGATIGXCLJFJH-HXUWFJFHSA-N 0 3 348.450 3.825 20 30 EHEDHN C[C@H]1CCC[C@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000498380099 1122897934 /nfs/dbraw/zinc/89/79/34/1122897934.db2.gz AUTZJQKOXCZSPX-PXNSSMCTSA-N 0 3 341.499 3.665 20 30 EHEDHN CCCC[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccc(OC)cc1 ZINC000556685135 1123083081 /nfs/dbraw/zinc/08/30/81/1123083081.db2.gz YMPIIDGONGZUEE-LJQANCHMSA-N 0 3 349.438 3.631 20 30 EHEDHN C[C@H]1CCC[C@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000499042591 1123168079 /nfs/dbraw/zinc/16/80/79/1123168079.db2.gz GLJVDQSHNZLVLG-ROUUACIJSA-N 0 3 341.499 3.665 20 30 EHEDHN CC#CCCNCc1cc(Br)cc(C)c1OC(F)F ZINC000499214596 1123277036 /nfs/dbraw/zinc/27/70/36/1123277036.db2.gz PGYQLKBTPJGJJJ-UHFFFAOYSA-N 0 3 332.188 3.862 20 30 EHEDHN CCO[C@H](CC)C(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000920110628 1123294396 /nfs/dbraw/zinc/29/43/96/1123294396.db2.gz FEZUEVFWHHWTHY-XOKHGSTOSA-N 0 3 330.428 3.663 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](c2ccc(CCC)cc2)C(C)C)CC1 ZINC000920253997 1123344183 /nfs/dbraw/zinc/34/41/83/1123344183.db2.gz DUSQNWAMZBISSL-NRFANRHFSA-N 0 3 340.511 3.798 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000609358391 1123561537 /nfs/dbraw/zinc/56/15/37/1123561537.db2.gz GEWMUMYNBKWUNY-MRXNPFEDSA-N 0 3 329.488 3.643 20 30 EHEDHN N#Cc1cc(CN2CCC[C@@H](Cn3cnc4ccccc43)C2)ccc1F ZINC000616176480 1123957873 /nfs/dbraw/zinc/95/78/73/1123957873.db2.gz JFMZRTFFQKDHDU-QGZVFWFLSA-N 0 3 348.425 3.959 20 30 EHEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc(Cl)o3)C2)c(F)c1 ZINC000068991200 1124085188 /nfs/dbraw/zinc/08/51/88/1124085188.db2.gz KHQPSBHHURVIEB-ZDUSSCGKSA-N 0 3 333.794 3.702 20 30 EHEDHN C[C@](C#N)(NC(=O)CNC1(c2cccc(Cl)c2)CCCC1)C1CC1 ZINC000181457290 1124854148 /nfs/dbraw/zinc/85/41/48/1124854148.db2.gz VAZWMMZLFVKECM-GOSISDBHSA-N 0 3 345.874 3.507 20 30 EHEDHN C[C@H](NCc1cccc(N2CCCC2=O)c1)c1ccc(OCC#N)cc1 ZINC000181497709 1124899569 /nfs/dbraw/zinc/89/95/69/1124899569.db2.gz RSVSLIOQBIRMJH-INIZCTEOSA-N 0 3 349.434 3.567 20 30 EHEDHN CC[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000735311800 1131334545 /nfs/dbraw/zinc/33/45/45/1131334545.db2.gz VTIXUYSWOAMFNE-GJZGRUSLSA-N 0 3 341.480 3.985 20 30 EHEDHN COc1ccc(C(=O)C2CCN(Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000543139779 1129275932 /nfs/dbraw/zinc/27/59/32/1129275932.db2.gz ONBXATXGIZAPGJ-UHFFFAOYSA-N 0 3 348.446 3.856 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000765979987 1129429525 /nfs/dbraw/zinc/42/95/25/1129429525.db2.gz YNNYHPPZVZODSH-ZIAGYGMSSA-N 0 3 335.407 3.692 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSc3ccc(F)cc3)nc21 ZINC000735788705 1131379933 /nfs/dbraw/zinc/37/99/33/1131379933.db2.gz GVCVFCFRTZNZAA-CQSZACIVSA-N 0 3 339.395 3.979 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)CSc3ccc(F)cc3)[nH]c21 ZINC000735788705 1131379937 /nfs/dbraw/zinc/37/99/37/1131379937.db2.gz GVCVFCFRTZNZAA-CQSZACIVSA-N 0 3 339.395 3.979 20 30 EHEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cnc2ccc(C#N)cn12 ZINC000093561711 1129594372 /nfs/dbraw/zinc/59/43/72/1129594372.db2.gz YXDXFCROIHQCOE-WMLDXEAASA-N 0 3 334.398 3.723 20 30 EHEDHN COc1cc(CN2CC[C@@H](COCc3ccccc3)C2)ccc1C#N ZINC000282249038 1129725324 /nfs/dbraw/zinc/72/53/24/1129725324.db2.gz JKGKVSHKBLSKGD-LJQANCHMSA-N 0 3 336.435 3.606 20 30 EHEDHN CC(C)Oc1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000347813361 1129863523 /nfs/dbraw/zinc/86/35/23/1129863523.db2.gz UBEOGTRAWPFMON-CYBMUJFWSA-N 0 3 349.312 3.773 20 30 EHEDHN N#Cc1ccc(CN[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)o1 ZINC000174377031 1130354029 /nfs/dbraw/zinc/35/40/29/1130354029.db2.gz PJEUKYLJRXCIED-HNNXBMFYSA-N 0 3 347.821 3.698 20 30 EHEDHN CCc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000727953576 1130613316 /nfs/dbraw/zinc/61/33/16/1130613316.db2.gz KDVKYNMYEDIIIL-RDTXWAMCSA-N 0 3 326.440 3.510 20 30 EHEDHN C=C(C)CN1CCC(NC(=S)NC[C@@H](CC)CCCC)CC1 ZINC000729942826 1130657742 /nfs/dbraw/zinc/65/77/42/1130657742.db2.gz UBAANCUAEOVPEE-INIZCTEOSA-N 0 3 325.566 3.707 20 30 EHEDHN C#CCOc1cccc(OC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000730501919 1130717325 /nfs/dbraw/zinc/71/73/25/1130717325.db2.gz RSWAVSVEQQCAPV-UHFFFAOYSA-N 0 3 349.430 3.516 20 30 EHEDHN CCC(CC)(NCC(=O)NCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000730933431 1130751673 /nfs/dbraw/zinc/75/16/73/1130751673.db2.gz BMMCVAMBXKFPKT-UHFFFAOYSA-N 0 3 342.270 3.628 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000732593724 1130936599 /nfs/dbraw/zinc/93/65/99/1130936599.db2.gz RGNVEGQBXNZUEX-CRAIPNDOSA-N 0 3 343.430 3.945 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000732593727 1130936702 /nfs/dbraw/zinc/93/67/02/1130936702.db2.gz RGNVEGQBXNZUEX-YJBOKZPZSA-N 0 3 343.430 3.945 20 30 EHEDHN N#CC(C(=O)C[C@@H]1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000732596067 1130937065 /nfs/dbraw/zinc/93/70/65/1130937065.db2.gz IXBPEWFWFPTBCS-DNVCBOLYSA-N 0 3 332.403 3.529 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(N(CC)CC)c(F)c2)cc1 ZINC000733328721 1131027075 /nfs/dbraw/zinc/02/70/75/1131027075.db2.gz ZVPKMXWEDFIZDE-UHFFFAOYSA-N 0 3 340.442 3.974 20 30 EHEDHN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000733679305 1131066275 /nfs/dbraw/zinc/06/62/75/1131066275.db2.gz XPLPQDBGXZEJJG-SRCQZFHVSA-N 0 3 348.830 3.583 20 30 EHEDHN CCN(Cc1ccc(C)cc1)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000739844153 1131514104 /nfs/dbraw/zinc/51/41/04/1131514104.db2.gz BYZYPICXMNQZPV-UHFFFAOYSA-N 0 3 345.450 3.913 20 30 EHEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000739999930 1131515376 /nfs/dbraw/zinc/51/53/76/1131515376.db2.gz NBPGOKDWAPBOMF-GJZGRUSLSA-N 0 3 340.854 3.796 20 30 EHEDHN Cc1nn(C)c(C)c1CNCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740011172 1131516435 /nfs/dbraw/zinc/51/64/35/1131516435.db2.gz JUGJAWRYYXKZGI-UHFFFAOYSA-N 0 3 336.464 3.927 20 30 EHEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(Cl)ccc2OCC#N)C1(C)C ZINC000740887068 1131554435 /nfs/dbraw/zinc/55/44/35/1131554435.db2.gz PMMSMADNETUEAC-IRXDYDNUSA-N 0 3 336.863 3.878 20 30 EHEDHN N#Cc1ccc(COC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000741331826 1131595945 /nfs/dbraw/zinc/59/59/45/1131595945.db2.gz QXKYGRYTCUNMCI-UHFFFAOYSA-N 0 3 334.419 3.514 20 30 EHEDHN CCCCCC[C@@H](CCC)N1CCN(c2nccnc2C#N)CC1 ZINC001172382769 1131727141 /nfs/dbraw/zinc/72/71/41/1131727141.db2.gz CMHNTAKWEGTFHO-QGZVFWFLSA-N 0 3 329.492 3.609 20 30 EHEDHN C[C@@H](CCCC#N)N1CCN(c2ccc(Br)cc2)CC1 ZINC001172495263 1131759052 /nfs/dbraw/zinc/75/90/52/1131759052.db2.gz CZSPYBVZDSUCMP-AWEZNQCLSA-N 0 3 336.277 3.653 20 30 EHEDHN Cc1ccc(N2CCC[C@@H](N[C@H](C)c3ccc(C#N)cc3)C2=O)cc1 ZINC000743469250 1131927241 /nfs/dbraw/zinc/92/72/41/1131927241.db2.gz QRBMSHAMKQXDSA-OXQOHEQNSA-N 0 3 333.435 3.713 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1cccc(Cl)c1 ZINC000744027007 1132006778 /nfs/dbraw/zinc/00/67/78/1132006778.db2.gz FDJTXBBZPWTGAL-MLGOLLRUSA-N 0 3 332.831 3.601 20 30 EHEDHN N#CCC1CCC(N2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC001173335488 1132051774 /nfs/dbraw/zinc/05/17/74/1132051774.db2.gz OAOYVMLCAFOOLW-UHFFFAOYSA-N 0 3 340.496 3.891 20 30 EHEDHN C=CCOC1CCC(NCc2ccn(Cc3ccccc3)n2)CC1 ZINC001173318181 1132060338 /nfs/dbraw/zinc/06/03/38/1132060338.db2.gz QQCVSVCQBNDXNC-UHFFFAOYSA-N 0 3 325.456 3.535 20 30 EHEDHN N#Cc1cn(C2=CCCN(Cc3ccccc3)C2)c2ccc(N)cc12 ZINC001174395087 1132328542 /nfs/dbraw/zinc/32/85/42/1132328542.db2.gz RCCAHIJVXUWNQB-UHFFFAOYSA-N 0 3 328.419 3.842 20 30 EHEDHN CC(C)C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000745986662 1132344489 /nfs/dbraw/zinc/34/44/89/1132344489.db2.gz OFISYPLBJARVQV-CABCVRRESA-N 0 3 341.480 3.841 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)CC2CCCC2)cc1 ZINC000746387910 1132505893 /nfs/dbraw/zinc/50/58/93/1132505893.db2.gz ZCLFKOGLTZBFHQ-QGZVFWFLSA-N 0 3 327.472 3.752 20 30 EHEDHN CCCN1CCc2c(N)sc(Nc3cc(F)cc(C#N)c3)c2C1 ZINC001175682108 1132738008 /nfs/dbraw/zinc/73/80/08/1132738008.db2.gz DUNHLAUTBYLTBU-UHFFFAOYSA-N 0 3 330.432 3.853 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000785486696 1132748073 /nfs/dbraw/zinc/74/80/73/1132748073.db2.gz LAOGPRBPPKTALT-HNNXBMFYSA-N 0 3 343.471 3.998 20 30 EHEDHN N#Cc1ccc([O-])c(Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001175797829 1132756771 /nfs/dbraw/zinc/75/67/71/1132756771.db2.gz BDUDAQJJBOIAFZ-UHFFFAOYSA-N 0 3 337.423 3.872 20 30 EHEDHN CC(=O)N1CC[C@H](N(Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)C1 ZINC001169560612 1132786108 /nfs/dbraw/zinc/78/61/08/1132786108.db2.gz OWEATZNIMAOPBK-JTSKRJEESA-N 0 3 347.462 3.742 20 30 EHEDHN CC(C)(NC[C@@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1F ZINC001169613333 1132805421 /nfs/dbraw/zinc/80/54/21/1132805421.db2.gz IFAALFWWVWVASD-MRXNPFEDSA-N 0 3 332.806 3.909 20 30 EHEDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)cc(C#N)c1 ZINC001169667258 1132814531 /nfs/dbraw/zinc/81/45/31/1132814531.db2.gz UIZLQJABFSNJTM-UHFFFAOYSA-N 0 3 329.787 3.794 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000766915412 1132913826 /nfs/dbraw/zinc/91/38/26/1132913826.db2.gz MOWMTNUQJVJWPD-CTNGQTDRSA-N 0 3 336.435 3.655 20 30 EHEDHN COC(=O)Cc1ccccc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767725541 1133044032 /nfs/dbraw/zinc/04/40/32/1133044032.db2.gz UQQBLPQPGWFXFE-UHFFFAOYSA-N 0 3 346.430 3.563 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1Cn1cccn1 ZINC001177524747 1133074049 /nfs/dbraw/zinc/07/40/49/1133074049.db2.gz HWWBIKJOGDZCRV-INIZCTEOSA-N 0 3 346.434 3.662 20 30 EHEDHN Cc1cccc(N2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000768215078 1133113388 /nfs/dbraw/zinc/11/33/88/1133113388.db2.gz XHWDNNZUNAYQJT-UHFFFAOYSA-N 0 3 348.494 3.667 20 30 EHEDHN C#CC[C@@H]1CCCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000829809571 1133126319 /nfs/dbraw/zinc/12/63/19/1133126319.db2.gz DPOMDFXKSCSRFT-GFCCVEGCSA-N 0 3 332.245 3.561 20 30 EHEDHN C=CCN(CCOC)C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001181458270 1133489799 /nfs/dbraw/zinc/48/97/99/1133489799.db2.gz UPWIJEDMAWZTKE-INIZCTEOSA-N 0 3 342.524 3.840 20 30 EHEDHN CSC=CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000771578871 1133573897 /nfs/dbraw/zinc/57/38/97/1133573897.db2.gz POPKXMRTUNZOAK-QUCGXOGASA-N 0 3 329.208 3.517 20 30 EHEDHN C[C@@H]1Cc2cc(CN(C)CCOCc3ccc(C#N)cc3)ccc2O1 ZINC001182140858 1133577832 /nfs/dbraw/zinc/57/78/32/1133577832.db2.gz RAZPVMAGSBFKAX-MRXNPFEDSA-N 0 3 336.435 3.530 20 30 EHEDHN C[C@H](N[C@@H](C)c1csc2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000786781231 1133902138 /nfs/dbraw/zinc/90/21/38/1133902138.db2.gz AQDVPYOSWRPHAW-STQMWFEESA-N 0 3 327.453 3.503 20 30 EHEDHN C[C@H](NC[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000787028851 1133940150 /nfs/dbraw/zinc/94/01/50/1133940150.db2.gz WQJAZHDTMPWSIE-BTDLBPIBSA-N 0 3 336.769 3.874 20 30 EHEDHN C[C@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CCCCC1 ZINC000787074486 1133946321 /nfs/dbraw/zinc/94/63/21/1133946321.db2.gz VPFVPGPXYIXBEM-VQIMIIECSA-N 0 3 340.467 3.960 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCCCCCC1 ZINC000787073828 1133946564 /nfs/dbraw/zinc/94/65/64/1133946564.db2.gz WNNHTLSSNFSDJY-SFHVURJKSA-N 0 3 326.440 3.714 20 30 EHEDHN Cc1cc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774856916 1134070308 /nfs/dbraw/zinc/07/03/08/1134070308.db2.gz HNQQCXNNRGEQDH-KRWDZBQOSA-N 0 3 343.471 3.603 20 30 EHEDHN N#C[C@H](c1ccccc1)N1CCN(c2ccnc3ccccc32)CC1 ZINC001170128690 1134375359 /nfs/dbraw/zinc/37/53/59/1134375359.db2.gz QWWXPMCHALFSBF-OAQYLSRUSA-N 0 3 328.419 3.622 20 30 EHEDHN COc1ccc(F)cc1[C@@H](C)NCCCOc1ccc(C#N)cc1 ZINC000775144800 1134385613 /nfs/dbraw/zinc/38/56/13/1134385613.db2.gz WFKDHZSJNDKTCX-CQSZACIVSA-N 0 3 328.387 3.826 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(-c2ccsc2)c1 ZINC001189385540 1134577873 /nfs/dbraw/zinc/57/78/73/1134577873.db2.gz KXCHBAQOWABUHW-SFHVURJKSA-N 0 3 326.465 3.795 20 30 EHEDHN CCC(CC)[C@@H](NCc1cc(=O)n2ncc(C#N)c2[nH]1)c1ccccc1 ZINC001192653105 1135040296 /nfs/dbraw/zinc/04/02/96/1135040296.db2.gz LNKLHOHGEUFQDJ-LJQANCHMSA-N 0 3 349.438 3.574 20 30 EHEDHN N#Cc1cccc(NC(=O)CN2CCCC3(CCCCC3)CC2)c1 ZINC001193437259 1135135171 /nfs/dbraw/zinc/13/51/71/1135135171.db2.gz AKGUQGZUOVBANT-UHFFFAOYSA-N 0 3 325.456 3.933 20 30 EHEDHN C=CC[C@@H]1N(Cc2ccc(OCC(F)(F)F)nn2)CCCC1(C)C ZINC001193920723 1135204224 /nfs/dbraw/zinc/20/42/24/1135204224.db2.gz PSQDGWBTSDDDOI-AWEZNQCLSA-N 0 3 343.393 3.984 20 30 EHEDHN CCCCCCCOC(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001194019925 1135215912 /nfs/dbraw/zinc/21/59/12/1135215912.db2.gz VIHDYQMWTVYHFH-UHFFFAOYSA-N 0 3 347.503 3.990 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCCCC#N ZINC000805856476 1135340183 /nfs/dbraw/zinc/34/01/83/1135340183.db2.gz WBTTYXYKIWVQSA-QGZVFWFLSA-N 0 3 339.439 3.933 20 30 EHEDHN CCCCCCCCCCOC(=O)NC1CCN(CCOC)CC1 ZINC001194929127 1135342383 /nfs/dbraw/zinc/34/23/83/1135342383.db2.gz QRIMQXHBKPNDJR-UHFFFAOYSA-N 0 3 342.524 3.964 20 30 EHEDHN C=CC1(CC(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)CCCCC1 ZINC001131099199 1135587943 /nfs/dbraw/zinc/58/79/43/1135587943.db2.gz XQQKYQLPMLXDAJ-SFHVURJKSA-N 0 3 348.531 3.615 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN([C@H](C)C2CC2)C2CC2)cc1C ZINC000747524489 1135722258 /nfs/dbraw/zinc/72/22/58/1135722258.db2.gz MVEQLUNSRGRBNT-QGZVFWFLSA-N 0 3 339.483 3.813 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2C[C@H](C)CC2(C)C)cc1C ZINC000747532336 1135750597 /nfs/dbraw/zinc/75/05/97/1135750597.db2.gz WRIRKOQLFMGMJL-OAHLLOKOSA-N 0 3 327.472 3.671 20 30 EHEDHN C#C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccncc1)C(C)C ZINC000809685378 1135871333 /nfs/dbraw/zinc/87/13/33/1135871333.db2.gz QCYQWZYHWCYACW-HXUWFJFHSA-N 0 3 330.435 3.682 20 30 EHEDHN CCN(C[C@H](C)C#N)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809938429 1135902427 /nfs/dbraw/zinc/90/24/27/1135902427.db2.gz ARJLIIZDNPWICC-BRWVUGGUSA-N 0 3 337.508 3.799 20 30 EHEDHN COc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)ccc1C#N ZINC000810251101 1135948216 /nfs/dbraw/zinc/94/82/16/1135948216.db2.gz OUJGTECFYUSDGR-NHYWBVRUSA-N 0 3 326.371 3.750 20 30 EHEDHN CCN(CC)C(=O)[C@H](Cc1ccccc1)N[C@H](C)c1cccc(C#N)c1 ZINC000776153880 1136005195 /nfs/dbraw/zinc/00/51/95/1136005195.db2.gz IJPJIKYHKPFKMD-UTKZUKDTSA-N 0 3 349.478 3.689 20 30 EHEDHN COc1cc(CNCc2ccc3c(c2)COC(C)(C)O3)ccc1C#N ZINC000811513751 1136103920 /nfs/dbraw/zinc/10/39/20/1136103920.db2.gz OMVJDZYGHJNANQ-UHFFFAOYSA-N 0 3 338.407 3.502 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc(OCCC)c(C(C)C)c2)CC1 ZINC001132980328 1136130991 /nfs/dbraw/zinc/13/09/91/1136130991.db2.gz ZXPMXUYKBBABEN-UHFFFAOYSA-N 0 3 342.483 3.883 20 30 EHEDHN C=CCc1cc(OC)cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811792649 1136141226 /nfs/dbraw/zinc/14/12/26/1136141226.db2.gz QKQNVABGQRZDJV-ICSRJNTNSA-N 0 3 343.467 3.663 20 30 EHEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000850117728 1136212635 /nfs/dbraw/zinc/21/26/35/1136212635.db2.gz BRDPATHBMSQTBP-OAHLLOKOSA-N 0 3 345.446 3.611 20 30 EHEDHN COCc1ccc(SCC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000747813851 1136242027 /nfs/dbraw/zinc/24/20/27/1136242027.db2.gz MBXJOJHCLPYHRX-AWEZNQCLSA-N 0 3 332.450 3.567 20 30 EHEDHN C#C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000812795480 1136251435 /nfs/dbraw/zinc/25/14/35/1136251435.db2.gz YOMQCTGNNFGHDE-ZWKOTPCHSA-N 0 3 346.446 3.879 20 30 EHEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)(C)C ZINC000812891811 1136265630 /nfs/dbraw/zinc/26/56/30/1136265630.db2.gz ROXAEVHEHCJSPA-ZDUSSCGKSA-N 0 3 329.469 3.841 20 30 EHEDHN CC(C)[C@H](O)[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000850557232 1136285471 /nfs/dbraw/zinc/28/54/71/1136285471.db2.gz VKWNXJSLJJQVGC-NDXORKPFSA-N 0 3 338.451 3.998 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)Cc1occc1C ZINC000850759705 1136301390 /nfs/dbraw/zinc/30/13/90/1136301390.db2.gz MLXZITTVQLAVOD-MRXNPFEDSA-N 0 3 338.407 3.603 20 30 EHEDHN COc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000850782523 1136305456 /nfs/dbraw/zinc/30/54/56/1136305456.db2.gz NIYUSADEZZNBBD-ARFHVFGLSA-N 0 3 332.359 3.816 20 30 EHEDHN C#C[C@@](C)(CC)NCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000852100789 1136433582 /nfs/dbraw/zinc/43/35/82/1136433582.db2.gz JAEIXPAZCACIRG-CTNGQTDRSA-N 0 3 342.483 3.530 20 30 EHEDHN C=C(Br)CN[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852732254 1136481671 /nfs/dbraw/zinc/48/16/71/1136481671.db2.gz SSYSIJHULYRTCG-KGLIPLIRSA-N 0 3 332.669 3.896 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1cccc2ccccc21)C(C)(F)F ZINC000815908752 1136646875 /nfs/dbraw/zinc/64/68/75/1136646875.db2.gz IJBNLFKTDJQUED-SMDDNHRTSA-N 0 3 330.334 3.778 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000776798595 1136669232 /nfs/dbraw/zinc/66/92/32/1136669232.db2.gz KZAOWDKNIPDNQX-CRAIPNDOSA-N 0 3 343.471 3.744 20 30 EHEDHN CCOC(=O)N1CCC[C@H]([C@H](C)NCc2ccc(Cl)cc2C#N)C1 ZINC000776823071 1136709206 /nfs/dbraw/zinc/70/92/06/1136709206.db2.gz LMFLOSUHQQABSY-ZFWWWQNUSA-N 0 3 349.862 3.558 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000113960741 1136762266 /nfs/dbraw/zinc/76/22/66/1136762266.db2.gz JWRVAXDIOIAULF-VQIMIIECSA-N 0 3 349.434 3.948 20 30 EHEDHN C[C@@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)c1ccnn1C ZINC000817713799 1136834560 /nfs/dbraw/zinc/83/45/60/1136834560.db2.gz WAGJEZNIMICTJW-MWLCHTKSSA-N 0 3 344.827 3.663 20 30 EHEDHN Cc1ccc(COCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000857029114 1136834680 /nfs/dbraw/zinc/83/46/80/1136834680.db2.gz HTQOAIIWRVAXHS-OAHLLOKOSA-N 0 3 348.324 3.802 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000860463306 1137061449 /nfs/dbraw/zinc/06/14/49/1137061449.db2.gz AEAIFAVEIZREOI-FGTMMUONSA-N 0 3 344.430 3.725 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)nc21 ZINC000860554888 1137066103 /nfs/dbraw/zinc/06/61/03/1137066103.db2.gz CYGPZVHKYMKZAO-XYVMCAHJSA-N 0 3 327.387 3.634 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CCC(F)(F)CC1 ZINC000860695243 1137073451 /nfs/dbraw/zinc/07/34/51/1137073451.db2.gz RSKLVVCBFCBZKV-INIZCTEOSA-N 0 3 348.393 3.569 20 30 EHEDHN C=CC[C@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000862442033 1137144815 /nfs/dbraw/zinc/14/48/15/1137144815.db2.gz XDOHBUWOPGSQRE-NSHDSACASA-N 0 3 326.234 3.561 20 30 EHEDHN C=CC[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000862442033 1137144817 /nfs/dbraw/zinc/14/48/17/1137144817.db2.gz XDOHBUWOPGSQRE-NSHDSACASA-N 0 3 326.234 3.561 20 30 EHEDHN C#Cc1ccc(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)cc1 ZINC000824673982 1137147577 /nfs/dbraw/zinc/14/75/77/1137147577.db2.gz ZOWQRFTUURKJGR-GOSISDBHSA-N 0 3 333.353 3.900 20 30 EHEDHN Cc1ccc(C#N)cc1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001143678942 1137188680 /nfs/dbraw/zinc/18/86/80/1137188680.db2.gz BJAXFRGZIHOKSY-OAQYLSRUSA-N 0 3 347.462 3.824 20 30 EHEDHN C#C[C@@H]1CCCN(Cc2cnc(-c3ccc(OC)c(OC)c3)s2)C1 ZINC001144067954 1137234368 /nfs/dbraw/zinc/23/43/68/1137234368.db2.gz OSISDTRUJHHPBO-CQSZACIVSA-N 0 3 342.464 3.673 20 30 EHEDHN N#Cc1cncc(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001144079622 1137237011 /nfs/dbraw/zinc/23/70/11/1137237011.db2.gz XXHJEWWHUWFHEV-MRXNPFEDSA-N 0 3 331.341 3.962 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@](C)(Cc2ccccc2)C(C)C)CC1 ZINC000865192563 1137267814 /nfs/dbraw/zinc/26/78/14/1137267814.db2.gz BCBKLLYYNHWTKA-OAQYLSRUSA-N 0 3 328.500 3.658 20 30 EHEDHN CC1(C)c2ccc(NC(=N)c3ccc4cc(O)ccc4c3)cc2NC1=O ZINC001171186522 1137294504 /nfs/dbraw/zinc/29/45/04/1137294504.db2.gz SHZVERDOWDJGAV-UHFFFAOYSA-N 0 3 345.402 3.812 20 30 EHEDHN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000772928088 1137302167 /nfs/dbraw/zinc/30/21/67/1137302167.db2.gz LMFGIFDCRFTVSX-MRXNPFEDSA-N 0 3 349.450 3.726 20 30 EHEDHN C#Cc1ccc(CN2CC[C@@H](C(=O)OC)C[C@H]2c2ccccc2)cc1 ZINC001144578729 1137310890 /nfs/dbraw/zinc/31/08/90/1137310890.db2.gz KXPNHRHBSILWRT-RTWAWAEBSA-N 0 3 333.431 3.794 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000866485406 1137358649 /nfs/dbraw/zinc/35/86/49/1137358649.db2.gz PZMBQPBWSGHMAN-ZIAGYGMSSA-N 0 3 336.391 3.957 20 30 EHEDHN COc1ccc(C(C)N=Nc2ncccc2F)cc1CN1CCCC1 ZINC000794989683 1137397148 /nfs/dbraw/zinc/39/71/48/1137397148.db2.gz ADKQRIGQYFIBAQ-UHFFFAOYSA-N 0 3 342.418 3.661 20 30 EHEDHN C#CCOc1ccccc1CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000772989647 1137420981 /nfs/dbraw/zinc/42/09/81/1137420981.db2.gz XZJFFPYFPKHRDT-QGZVFWFLSA-N 0 3 331.419 3.735 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](CO)CC(F)(F)F)cc1 ZINC000773106813 1137465843 /nfs/dbraw/zinc/46/58/43/1137465843.db2.gz LYCRDJMMOAHGGB-AAEUAGOBSA-N 0 3 337.769 3.782 20 30 EHEDHN COC(=O)C1(c2ccc(Cl)cc2)CCC(N[C@@H](C)CC#N)CC1 ZINC001172210876 1137541570 /nfs/dbraw/zinc/54/15/70/1137541570.db2.gz LVKJNKWKUUIAQV-BELGNNRLSA-N 0 3 334.847 3.585 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cccc(F)c2C#N)CC1 ZINC000873112034 1137590280 /nfs/dbraw/zinc/59/02/80/1137590280.db2.gz MDPAFQWUCMLTLW-OAHLLOKOSA-N 0 3 347.434 3.577 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(C(F)(F)F)nc2)cc1 ZINC000873185999 1137593086 /nfs/dbraw/zinc/59/30/86/1137593086.db2.gz BPUZXUYOCZIWBC-ZDUSSCGKSA-N 0 3 334.341 3.963 20 30 EHEDHN N#Cc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c(F)cc1F ZINC000876347629 1137649477 /nfs/dbraw/zinc/64/94/77/1137649477.db2.gz GYKGOHGLEMIHLI-NXEZZACHSA-N 0 3 348.271 3.523 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000876572200 1137655904 /nfs/dbraw/zinc/65/59/04/1137655904.db2.gz BNSGDBJIJXBAEJ-SECBINFHSA-N 0 3 338.782 3.749 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000876587763 1137656414 /nfs/dbraw/zinc/65/64/14/1137656414.db2.gz VIGOLOAIEZBLPG-CRAIPNDOSA-N 0 3 342.870 3.793 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000876629611 1137657535 /nfs/dbraw/zinc/65/75/35/1137657535.db2.gz UQFBBNKLVZBFLL-NOZJJQNGSA-N 0 3 335.662 3.511 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000876732873 1137659956 /nfs/dbraw/zinc/65/99/56/1137659956.db2.gz IKAIJCYULXTCDY-AWEZNQCLSA-N 0 3 342.270 3.739 20 30 EHEDHN CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@H](N)CCCCC#N)C1 ZINC000877064611 1137669126 /nfs/dbraw/zinc/66/91/26/1137669126.db2.gz BYXCYOMDBXCEQJ-IAGOWNOFSA-N 0 3 327.472 3.649 20 30 EHEDHN C=C(Cl)CN[C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877149327 1137671630 /nfs/dbraw/zinc/67/16/30/1137671630.db2.gz LUKMWAZPXPFKHV-GJZGRUSLSA-N 0 3 343.696 3.927 20 30 EHEDHN Cc1cccc(OC2CCN(Cc3ccc(OCC#N)cc3)CC2)c1 ZINC001137121405 1137678909 /nfs/dbraw/zinc/67/89/09/1137678909.db2.gz JIRIGTWKRWCRDI-UHFFFAOYSA-N 0 3 336.435 3.941 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877672732 1137685433 /nfs/dbraw/zinc/68/54/33/1137685433.db2.gz LYYOWIZBIWAZFA-LKUPVBHCSA-N 0 3 336.435 3.675 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(OC(F)F)cc1F ZINC000877730249 1137687055 /nfs/dbraw/zinc/68/70/55/1137687055.db2.gz SDTZXPBNFQNTOG-GFCCVEGCSA-N 0 3 342.361 3.616 20 30 EHEDHN CC(C)(C#N)c1ccc(CN2Cc3cccnc3N3CCC[C@H]3C2)cc1 ZINC000877763146 1137688790 /nfs/dbraw/zinc/68/87/90/1137688790.db2.gz ZZIUTGDPJAWLKZ-FQEVSTJZSA-N 0 3 346.478 3.867 20 30 EHEDHN C=C(C)[C@H](NC[C@H]1CC2(CO1)CCOCC2)c1ccc(F)c(F)c1 ZINC000878452194 1137716666 /nfs/dbraw/zinc/71/66/66/1137716666.db2.gz WWBBGRGRLXHGIK-QAPCUYQASA-N 0 3 337.410 3.757 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccccc3cc2F)CC1 ZINC000878750405 1137727046 /nfs/dbraw/zinc/72/70/46/1137727046.db2.gz DEEQBWZRHDFWOZ-UHFFFAOYSA-N 0 3 326.415 3.749 20 30 EHEDHN CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000879311789 1137744021 /nfs/dbraw/zinc/74/40/21/1137744021.db2.gz VOQZLNDRHZAWJB-IAGOWNOFSA-N 0 3 335.492 3.648 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCCC2)cc1 ZINC000114618299 1137788334 /nfs/dbraw/zinc/78/83/34/1137788334.db2.gz LBNFPYQNJLZESG-KSSFIOAISA-N 0 3 342.439 3.949 20 30 EHEDHN CCOc1c(OC)cc(CN[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000101594946 1137870934 /nfs/dbraw/zinc/87/09/34/1137870934.db2.gz OAMSBNOXHYOWNB-CQSZACIVSA-N 0 3 340.423 3.825 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@](C)(O)c2ccc(F)cc2)c([O-])c1 ZINC000132952606 1137872885 /nfs/dbraw/zinc/87/28/85/1137872885.db2.gz ARNAXJVMSSIRNI-BOURKTIISA-N 0 3 344.430 3.704 20 30 EHEDHN CCOc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1OC ZINC000105487572 1137881015 /nfs/dbraw/zinc/88/10/15/1137881015.db2.gz ACRWGJSEZJJQLQ-OAHLLOKOSA-N 0 3 340.423 3.847 20 30 EHEDHN C=CCN(Cc1ccccc1F)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000106340720 1137883354 /nfs/dbraw/zinc/88/33/54/1137883354.db2.gz LXZIASRBLDKKLU-UHFFFAOYSA-N 0 3 345.462 3.564 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2oc3ccccc3c2C)CC1 ZINC000115678867 1137922938 /nfs/dbraw/zinc/92/29/38/1137922938.db2.gz QYYJCOBHGDCIPW-UHFFFAOYSA-N 0 3 341.455 3.581 20 30 EHEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccccc1Nc1ccccc1)C2 ZINC000884305102 1137946219 /nfs/dbraw/zinc/94/62/19/1137946219.db2.gz LRYVQSBZVVNOPT-ZGOJQLDESA-N 0 3 346.434 3.508 20 30 EHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1Br ZINC000121058021 1137954755 /nfs/dbraw/zinc/95/47/55/1137954755.db2.gz UTXONEBPXQSIAB-GFCCVEGCSA-N 0 3 325.250 3.674 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccccc2-n2ccc(C)n2)cc1 ZINC000136403735 1138028978 /nfs/dbraw/zinc/02/89/78/1138028978.db2.gz OZOCHYIJDSFFOE-UHFFFAOYSA-N 0 3 345.446 3.873 20 30 EHEDHN Cc1c(C#N)cccc1C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000338137818 1138762663 /nfs/dbraw/zinc/76/26/63/1138762663.db2.gz SXHHKEIMTILGFC-UHFFFAOYSA-N 0 3 347.462 3.603 20 30 EHEDHN C=CCN(CCCO[C@@H]1CCCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000338236991 1138797547 /nfs/dbraw/zinc/79/75/47/1138797547.db2.gz WJSARESWVZMXIZ-GOSISDBHSA-N 0 3 334.416 3.516 20 30 EHEDHN CC(C)(C#N)CCCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000174837791 1139445425 /nfs/dbraw/zinc/44/54/25/1139445425.db2.gz XMRSHHLDBORIIS-UHFFFAOYSA-N 0 3 347.466 3.558 20 30 EHEDHN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000177551592 1139625832 /nfs/dbraw/zinc/62/58/32/1139625832.db2.gz NUOHJXUFPODDCS-DNVCBOLYSA-N 0 3 344.418 3.986 20 30 EHEDHN CC(C)[C@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)cc1F ZINC000180266403 1139822309 /nfs/dbraw/zinc/82/23/09/1139822309.db2.gz FWAOYZVWINZILP-KRWDZBQOSA-N 0 3 339.842 3.528 20 30 EHEDHN C[C@H](NCc1ccc(OCC2CC2)nc1)c1ccc(OCC#N)cc1 ZINC000181639016 1139921392 /nfs/dbraw/zinc/92/13/92/1139921392.db2.gz VFNHLCVWSUYKBZ-HNNXBMFYSA-N 0 3 337.423 3.624 20 30 EHEDHN C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000183110608 1140013210 /nfs/dbraw/zinc/01/32/10/1140013210.db2.gz NCNYNYZWTPQOGL-MRXNPFEDSA-N 0 3 349.434 3.826 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CC[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000777403000 1140076753 /nfs/dbraw/zinc/07/67/53/1140076753.db2.gz VQZUWPYIEKPKOP-IFRHDIGASA-N 0 3 340.467 3.955 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000187016802 1140232489 /nfs/dbraw/zinc/23/24/89/1140232489.db2.gz RHWDREFJQBVQFY-UHFFFAOYSA-N 0 3 337.414 3.960 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]cc2-c2ccc(C)s2)CC1 ZINC000189278425 1140332141 /nfs/dbraw/zinc/33/21/41/1140332141.db2.gz HZLRVQGSXGEBEV-UHFFFAOYSA-N 0 3 343.496 3.822 20 30 EHEDHN Cc1cc(C)cc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190633617 1140412938 /nfs/dbraw/zinc/41/29/38/1140412938.db2.gz JZCPDZNJYSMSSO-LAUBAEHRSA-N 0 3 347.462 3.627 20 30 EHEDHN COc1ccc2[nH]cc(C3CCN(Cc4cc(C#N)n(C)c4)CC3)c2c1 ZINC000191272032 1140449555 /nfs/dbraw/zinc/44/95/55/1140449555.db2.gz XNQXFEGRTDGGGQ-UHFFFAOYSA-N 0 3 348.450 3.766 20 30 EHEDHN N#Cc1cc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC000192055961 1140500032 /nfs/dbraw/zinc/50/00/32/1140500032.db2.gz LJQMMWDQBUWSCB-ZWKOTPCHSA-N 0 3 330.790 3.971 20 30 EHEDHN COc1cc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc(OC)c1OC ZINC000268999920 1141042521 /nfs/dbraw/zinc/04/25/21/1141042521.db2.gz UOFIEVGUVUYSER-UONOGXRCSA-N 0 3 340.423 3.996 20 30 EHEDHN CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000269731976 1141139355 /nfs/dbraw/zinc/13/93/55/1141139355.db2.gz VEVIKLRYTAKQIL-GOSISDBHSA-N 0 3 325.456 3.833 20 30 EHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000270156640 1141186193 /nfs/dbraw/zinc/18/61/93/1141186193.db2.gz SVCGSUGQDBFUQS-WNSKOXEYSA-N 0 3 329.465 3.840 20 30 EHEDHN N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1cccs1)N1CCCC1 ZINC000067948663 526575988 /nfs/dbraw/zinc/57/59/88/526575988.db2.gz SXOZCILVORPPRW-MRXNPFEDSA-N 0 3 342.424 3.777 20 30 EHEDHN C=CCN(Cc1csc(C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000449029166 1032064416 /nfs/dbraw/zinc/06/44/16/1032064416.db2.gz QLBYHAXMSSERHY-HNNXBMFYSA-N 0 3 339.468 3.781 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]2Cn2cnc3ccccc32)c(F)c1 ZINC000339908814 1015882081 /nfs/dbraw/zinc/88/20/81/1015882081.db2.gz HVZJSQGLKRTFQJ-QGZVFWFLSA-N 0 3 334.398 3.712 20 30 EHEDHN C=C(C)[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000275089398 1015966341 /nfs/dbraw/zinc/96/63/41/1015966341.db2.gz ULAZACOXUCYKGD-SCLBCKFNSA-N 0 3 349.425 3.532 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(F)(F)F ZINC000121221057 1016959272 /nfs/dbraw/zinc/95/92/72/1016959272.db2.gz MLPIIKBTMMHQJC-GFCCVEGCSA-N 0 3 348.438 3.535 20 30 EHEDHN CC1/C(=C\c2cn(-c3ccccc3)nc2C(C)(C)C)C(=O)c2ncnn21 ZINC000905084614 1032333683 /nfs/dbraw/zinc/33/36/83/1032333683.db2.gz JGFBJNHQNWNADH-BVTUPMQUSA-N 0 3 347.422 3.602 20 30 EHEDHN N#Cc1cccc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459644476 1032364574 /nfs/dbraw/zinc/36/45/74/1032364574.db2.gz PMNBYAULLMXUKY-MRXNPFEDSA-N 0 3 338.373 3.739 20 30 EHEDHN CC(C)(CC#N)CNCC1=Cc2cc(Br)ccc2OC1 ZINC000459687539 1032416099 /nfs/dbraw/zinc/41/60/99/1032416099.db2.gz GUBRSNVICVWEFH-UHFFFAOYSA-N 0 3 335.245 3.754 20 30 EHEDHN CC(C)(CC#N)CNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000459730433 1032435494 /nfs/dbraw/zinc/43/54/94/1032435494.db2.gz MEUHFDJAZIYFSK-UHFFFAOYSA-N 0 3 336.361 3.921 20 30 EHEDHN C[C@@H](NCC#Cc1ccccc1Cl)c1ccc(-n2ccnn2)cc1 ZINC000537128878 1032529445 /nfs/dbraw/zinc/52/94/45/1032529445.db2.gz XLGLFYZYRMMNOG-OAHLLOKOSA-N 0 3 336.826 3.623 20 30 EHEDHN COc1ccc(CN2CC[C@H](OC)C(C)(C)C2)cc1OCCCC#N ZINC000449496078 1032664080 /nfs/dbraw/zinc/66/40/80/1032664080.db2.gz GALZUSHSQMSZMO-IBGZPJMESA-N 0 3 346.471 3.625 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593039859 1032676319 /nfs/dbraw/zinc/67/63/19/1032676319.db2.gz GUWFHOYPJKFXCO-OLZOCXBDSA-N 0 3 326.318 3.553 20 30 EHEDHN Cc1cccc(C)c1[C@H](C)N[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000544895468 1017368871 /nfs/dbraw/zinc/36/88/71/1017368871.db2.gz GMQCDYIDRPOPQT-DLBZAZTESA-N 0 3 327.472 3.685 20 30 EHEDHN C[N@@H+]1CCCN(c2ccc(N=Cc3cc(Cl)ccc3[O-])cc2)CC1 ZINC000255080122 1017441510 /nfs/dbraw/zinc/44/15/10/1017441510.db2.gz XPWRIHPAKWLSKC-UHFFFAOYSA-N 0 3 343.858 3.938 20 30 EHEDHN C[N@H+]1CCCN(c2ccc(N=Cc3cc(Cl)ccc3[O-])cc2)CC1 ZINC000255080122 1017441526 /nfs/dbraw/zinc/44/15/26/1017441526.db2.gz XPWRIHPAKWLSKC-UHFFFAOYSA-N 0 3 343.858 3.938 20 30 EHEDHN CCOC(=O)C1CCC(N(CC)Cc2cc(F)ccc2C#N)CC1 ZINC000549186364 1017563794 /nfs/dbraw/zinc/56/37/94/1017563794.db2.gz KSHVYUAXBAMVQN-UHFFFAOYSA-N 0 3 332.419 3.641 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1(C#N)CCCCC1 ZINC000076388957 1018013454 /nfs/dbraw/zinc/01/34/54/1018013454.db2.gz FLWXWRGGAJRSGH-GOSISDBHSA-N 0 3 339.483 3.583 20 30 EHEDHN Cc1ccc(C#N)cc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000580008384 1018026304 /nfs/dbraw/zinc/02/63/04/1018026304.db2.gz HZZQUKHGTHVMNF-FQEVSTJZSA-N 0 3 336.435 3.537 20 30 EHEDHN C[C@@H](NCc1ccc(Oc2cnccn2)cc1)c1cccc(C#N)c1 ZINC000610345193 1018345114 /nfs/dbraw/zinc/34/51/14/1018345114.db2.gz YFYDUZAKLHCWFL-OAHLLOKOSA-N 0 3 330.391 3.991 20 30 EHEDHN N#Cc1csc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000177689034 1018460013 /nfs/dbraw/zinc/46/00/13/1018460013.db2.gz UBFSEYBGMOLHBD-SFHVURJKSA-N 0 3 326.421 3.632 20 30 EHEDHN C=CCOCCN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000549366008 1018530804 /nfs/dbraw/zinc/53/08/04/1018530804.db2.gz BNPUNIUONKDWSK-UHFFFAOYSA-N 0 3 329.484 3.982 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000614396071 1018956608 /nfs/dbraw/zinc/95/66/08/1018956608.db2.gz UAAIULHXOKZUEX-UHFFFAOYSA-N 0 3 337.442 3.714 20 30 EHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000047827059 1019073853 /nfs/dbraw/zinc/07/38/53/1019073853.db2.gz GQXOMEUWIVMFOR-HNNXBMFYSA-N 0 3 336.435 3.987 20 30 EHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345302868 1020141280 /nfs/dbraw/zinc/14/12/80/1020141280.db2.gz SLPPZTDSZXRCBT-RBSFLKMASA-N 0 3 346.500 3.543 20 30 EHEDHN Cc1cccc(CC2(O)CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000280331680 1020313316 /nfs/dbraw/zinc/31/33/16/1020313316.db2.gz HTBCSOTUFSATKS-SFHVURJKSA-N 0 3 334.463 3.997 20 30 EHEDHN CCOc1cc(CNCC2(CC#N)CC2)ccc1OCC(F)(F)F ZINC000430035258 1020703513 /nfs/dbraw/zinc/70/35/13/1020703513.db2.gz BLTFHFVJRHSXPQ-UHFFFAOYSA-N 0 3 342.361 3.810 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1OC(F)(F)F ZINC000602505322 1032939003 /nfs/dbraw/zinc/93/90/03/1032939003.db2.gz ZYCBMPPTSZRJLD-CYBMUJFWSA-N 0 3 342.361 3.774 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1OC1CCC1 ZINC000602545629 1032957079 /nfs/dbraw/zinc/95/70/79/1032957079.db2.gz HKRGUEXPRJTORG-MRXNPFEDSA-N 0 3 328.456 3.806 20 30 EHEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000664874794 1021394297 /nfs/dbraw/zinc/39/42/97/1021394297.db2.gz QDMIGQNOYAIPLD-GVDBMIGSSA-N 0 3 333.476 3.707 20 30 EHEDHN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(Cc1ccc(C#N)c(F)c1)C2 ZINC000439488907 1021479441 /nfs/dbraw/zinc/47/94/41/1021479441.db2.gz AFNYKDAMEMQOMQ-OXJNMPFZSA-N 0 3 344.430 3.641 20 30 EHEDHN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(Cc1ccc(F)c(C#N)c1)C2 ZINC000439482144 1021489919 /nfs/dbraw/zinc/48/99/19/1021489919.db2.gz QZVJMQYLHYCXMR-OXJNMPFZSA-N 0 3 344.430 3.641 20 30 EHEDHN N#CCSCC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051155942 1021493579 /nfs/dbraw/zinc/49/35/79/1021493579.db2.gz WKUITECLLFFMRQ-LBPRGKRZSA-N 0 3 347.852 3.897 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000602597438 1032992952 /nfs/dbraw/zinc/99/29/52/1032992952.db2.gz BXVUAEMFIYAYAF-PKOBYXMFSA-N 0 3 333.435 3.576 20 30 EHEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000519909041 1021760963 /nfs/dbraw/zinc/76/09/63/1021760963.db2.gz FDNHFKQBXBCUQH-FQEVSTJZSA-N 0 3 335.451 3.648 20 30 EHEDHN C[C@@H](NC[C@@H]1CSc2ccccc2O1)c1ccc(C#N)cc1F ZINC000519154226 1021888657 /nfs/dbraw/zinc/88/86/57/1021888657.db2.gz AXQBLGNWARMWMA-TZMCWYRMSA-N 0 3 328.412 3.901 20 30 EHEDHN CCN(CC)[C@@H](CNc1nccc(C#N)c1Cl)c1ccsc1 ZINC000341521526 1022057430 /nfs/dbraw/zinc/05/74/30/1022057430.db2.gz BSWYGJBHEZGFOO-AWEZNQCLSA-N 0 3 334.876 3.585 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000517582045 1022471532 /nfs/dbraw/zinc/47/15/32/1022471532.db2.gz ALWBGJOEZVAEBV-SJORKVTESA-N 0 3 332.488 3.938 20 30 EHEDHN COc1cc(Br)ccc1CN[C@H](C)CC(C)(C)C#N ZINC000926218236 1022533534 /nfs/dbraw/zinc/53/35/34/1022533534.db2.gz BELNLNIWXMSOMR-LLVKDONJSA-N 0 3 325.250 3.876 20 30 EHEDHN COC(=O)c1cc(CN[C@H]2CCc3cc(C#N)ccc32)[nH]c1C(C)C ZINC000894589187 1022595000 /nfs/dbraw/zinc/59/50/00/1022595000.db2.gz KKMADNJYNWGOLG-SFHVURJKSA-N 0 3 337.423 3.573 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000506309095 1022898832 /nfs/dbraw/zinc/89/88/32/1022898832.db2.gz JFHGSRBEICHTAH-OXQOHEQNSA-N 0 3 348.450 3.710 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000518002189 1022925166 /nfs/dbraw/zinc/92/51/66/1022925166.db2.gz VCMLYTXTNNHPHT-YQVWRLOYSA-N 0 3 333.520 3.685 20 30 EHEDHN C[C@H](CCC#N)CN1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000602707981 1033096285 /nfs/dbraw/zinc/09/62/85/1033096285.db2.gz XDQGHQGXOAPTBE-CRAIPNDOSA-N 0 3 328.456 3.867 20 30 EHEDHN CC[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C(C)C ZINC000518288676 1023198295 /nfs/dbraw/zinc/19/82/95/1023198295.db2.gz OTHSNNLOWYYQBE-IBGZPJMESA-N 0 3 329.488 3.521 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000187669144 1023485189 /nfs/dbraw/zinc/48/51/89/1023485189.db2.gz VSTAFWVTTXNGFJ-PKOBYXMFSA-N 0 3 347.462 3.761 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CC(C)(C)OC3(C)C)nc21 ZINC000528953806 1033146999 /nfs/dbraw/zinc/14/69/99/1033146999.db2.gz NZVVFCXMBJKPCQ-QWHCGFSZSA-N 0 3 325.412 3.641 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CC(C)(C)OC3(C)C)[nH]c21 ZINC000528953806 1033147022 /nfs/dbraw/zinc/14/70/22/1033147022.db2.gz NZVVFCXMBJKPCQ-QWHCGFSZSA-N 0 3 325.412 3.641 20 30 EHEDHN Cc1cc(C)c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000602757491 1033148620 /nfs/dbraw/zinc/14/86/20/1033148620.db2.gz GTKICMHMRHETJI-UHFFFAOYSA-N 0 3 348.494 3.586 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CCC(CC(F)(F)F)CC1 ZINC000341978489 1023738904 /nfs/dbraw/zinc/73/89/04/1023738904.db2.gz AHWVJVWRZREKKE-UHFFFAOYSA-N 0 3 345.390 3.613 20 30 EHEDHN CCN(CCC#N)C(=O)CN(Cc1ccccc1)[C@H](C)C(C)(C)C ZINC000346030619 1024112909 /nfs/dbraw/zinc/11/29/09/1024112909.db2.gz LOVQUTJKEGQVAB-QGZVFWFLSA-N 0 3 329.488 3.685 20 30 EHEDHN C=CCC[C@@H](NCCNC(=O)c1ccc(C)c(F)c1)c1ccco1 ZINC000514082176 1024115898 /nfs/dbraw/zinc/11/58/98/1024115898.db2.gz FYGZUPHDWBHNGM-QGZVFWFLSA-N 0 3 330.403 3.754 20 30 EHEDHN C=CCC[C@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccco1 ZINC000514086049 1024117325 /nfs/dbraw/zinc/11/73/25/1024117325.db2.gz YSCJODCRTBHYMH-PMACEKPBSA-N 0 3 340.467 3.778 20 30 EHEDHN N#Cc1ccccc1-c1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000514182601 1024189803 /nfs/dbraw/zinc/18/98/03/1024189803.db2.gz HZPMKJNHOQFDHR-UHFFFAOYSA-N 0 3 331.463 3.895 20 30 EHEDHN C[C@@H]1CN(CCCOc2cccc3ccccc32)C[C@H](C)N1CC#N ZINC000602858509 1033211731 /nfs/dbraw/zinc/21/17/31/1033211731.db2.gz SMHPASMCYYQUEY-HDICACEKSA-N 0 3 337.467 3.527 20 30 EHEDHN C#CC1(O)CCN(Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000895385931 1024449381 /nfs/dbraw/zinc/44/93/81/1024449381.db2.gz QEDSXBPYBLTZMR-UHFFFAOYSA-N 0 3 349.478 3.625 20 30 EHEDHN C[C@@H](NCc1cccc(Cn2ccnc2)c1)c1ccc(C#N)c(F)c1 ZINC000346154296 1024456853 /nfs/dbraw/zinc/45/68/53/1024456853.db2.gz FUBYIWIANVFYJQ-OAHLLOKOSA-N 0 3 334.398 3.793 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000346136493 1024464431 /nfs/dbraw/zinc/46/44/31/1024464431.db2.gz RALUXNKKRDWVAP-KGLIPLIRSA-N 0 3 335.386 3.690 20 30 EHEDHN Cc1cccc([C@H](C)N[C@@H]2CCN(c3sccc3C#N)C2=O)c1C ZINC000434879151 1024479894 /nfs/dbraw/zinc/47/98/94/1024479894.db2.gz WSYIEBMBMIQHTM-WMLDXEAASA-N 0 3 339.464 3.693 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000280961964 1024495243 /nfs/dbraw/zinc/49/52/43/1024495243.db2.gz ZAPJTUFGWRKLOV-UXPWSPDFSA-N 0 3 326.415 3.881 20 30 EHEDHN N#CCCSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000840212484 1024587313 /nfs/dbraw/zinc/58/73/13/1024587313.db2.gz JNTFTEUVUAUCNM-ZDUSSCGKSA-N 0 3 327.434 3.633 20 30 EHEDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602912997 1033260157 /nfs/dbraw/zinc/26/01/57/1033260157.db2.gz PWCHDWGTNSRGBE-CQSZACIVSA-N 0 3 336.395 3.802 20 30 EHEDHN CN(C)C[C@@H](NCC1(CC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000602916328 1033263782 /nfs/dbraw/zinc/26/37/82/1033263782.db2.gz SJZGUXXOZJVKHA-OAHLLOKOSA-N 0 3 326.271 3.880 20 30 EHEDHN CN(Cc1csc(C#N)c1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000892204651 1025407076 /nfs/dbraw/zinc/40/70/76/1025407076.db2.gz ASOJIRDMBRIBCQ-UHFFFAOYSA-N 0 3 349.500 3.887 20 30 EHEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000436269401 1025535389 /nfs/dbraw/zinc/53/53/89/1025535389.db2.gz YKTMCKGAPKLHCX-HZPDHXFCSA-N 0 3 349.500 3.522 20 30 EHEDHN C=CC(C)(C)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000451139003 1025573271 /nfs/dbraw/zinc/57/32/71/1025573271.db2.gz CKKYBDBHKRYMPA-UHFFFAOYSA-N 0 3 329.488 3.676 20 30 EHEDHN CC(=O)c1ccc(NC(=O)CCN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425538214 1025674625 /nfs/dbraw/zinc/67/46/25/1025674625.db2.gz RTNYZPKABUEREA-OAHLLOKOSA-N 0 3 349.434 3.782 20 30 EHEDHN Cc1ccc(C)c(OC[C@@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425543013 1025694094 /nfs/dbraw/zinc/69/40/94/1025694094.db2.gz RJAXSCVBKMAHFM-XLIONFOSSA-N 0 3 338.451 3.608 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000187730037 1025757125 /nfs/dbraw/zinc/75/71/25/1025757125.db2.gz OOXADHFBANBIJL-GOSISDBHSA-N 0 3 344.462 3.699 20 30 EHEDHN CC1(C)[C@H](NCc2ccc(Br)cc2C#N)[C@@H]2CCCO[C@@H]21 ZINC000451483236 1026024998 /nfs/dbraw/zinc/02/49/98/1026024998.db2.gz XOLIZBVFIRAFTL-XHSDSOJGSA-N 0 3 349.272 3.614 20 30 EHEDHN CC1(CN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000897055420 1026282269 /nfs/dbraw/zinc/28/22/69/1026282269.db2.gz OSGKTOIAIKAQBE-OCAPTIKFSA-N 0 3 337.254 3.889 20 30 EHEDHN COc1cccc([C@H]2C[C@H](N(C)Cc3cc(C#N)ccc3OC)C2)c1 ZINC000452025005 1026445497 /nfs/dbraw/zinc/44/54/97/1026445497.db2.gz ZCKCTVAVRXWURA-UAPYVXQJSA-N 0 3 336.435 3.953 20 30 EHEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000186321607 1026496386 /nfs/dbraw/zinc/49/63/86/1026496386.db2.gz SQLXAAUIBPIJKG-INIZCTEOSA-N 0 3 333.435 3.844 20 30 EHEDHN C=CCN1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301151844 1026701994 /nfs/dbraw/zinc/70/19/94/1026701994.db2.gz AUUXYZRQKDLHBQ-UHFFFAOYSA-N 0 3 329.322 3.676 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000501390775 1027242736 /nfs/dbraw/zinc/24/27/36/1027242736.db2.gz UJYBERXOQSTHDO-SFHVURJKSA-N 0 3 326.484 3.530 20 30 EHEDHN CC(C)(C#N)CCCCN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000277868520 1027519561 /nfs/dbraw/zinc/51/95/61/1027519561.db2.gz DJTWJBNGSJXGNH-UHFFFAOYSA-N 0 3 345.462 3.694 20 30 EHEDHN N#CCCCOc1cccc(CN2CCC(c3ccncn3)CC2)c1 ZINC000414469017 1027709716 /nfs/dbraw/zinc/70/97/16/1027709716.db2.gz HXHIEHYIMCGFST-UHFFFAOYSA-N 0 3 336.439 3.539 20 30 EHEDHN C=CCOc1ccc(CNCc2cc(COC)cs2)cc1OC ZINC000657658815 1027892977 /nfs/dbraw/zinc/89/29/77/1027892977.db2.gz FPKMQDKAHGIQOO-UHFFFAOYSA-N 0 3 333.453 3.758 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000533513637 1027999564 /nfs/dbraw/zinc/99/95/64/1027999564.db2.gz LXOZHFCXCXOLIB-DCPHZVHLSA-N 0 3 345.462 3.699 20 30 EHEDHN C[C@@H](NC(=O)Nc1scc(C(C)(C)C)c1C#N)C1=CCN(C)CC1 ZINC000888222187 1028261862 /nfs/dbraw/zinc/26/18/62/1028261862.db2.gz GQYFVNVFUNVTHB-GFCCVEGCSA-N 0 3 346.500 3.689 20 30 EHEDHN C[C@H](CC(=O)Nc1cccc(Cl)c1)NCc1ccc(C#N)s1 ZINC000421354116 1028298606 /nfs/dbraw/zinc/29/86/06/1028298606.db2.gz VNGVHCCGOROPCP-LLVKDONJSA-N 0 3 333.844 3.780 20 30 EHEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)c2ccccc21 ZINC000424187631 1028875633 /nfs/dbraw/zinc/87/56/33/1028875633.db2.gz JPNRXDPAGGTCSZ-YVEFUNNKSA-N 0 3 329.831 3.692 20 30 EHEDHN N#C[C@H]1CC[C@@H](NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000424195886 1028883836 /nfs/dbraw/zinc/88/38/36/1028883836.db2.gz DTFCQRHSRDRKPQ-SWLSCSKDSA-N 0 3 334.345 3.673 20 30 EHEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2c2ccc(OC(C)C)cc2)nn1 ZINC000424290051 1028932803 /nfs/dbraw/zinc/93/28/03/1028932803.db2.gz AUYPBPKSGVCMOB-PMACEKPBSA-N 0 3 340.471 3.677 20 30 EHEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2c2ccc(OC(C)C)cc2)nn1 ZINC000424290054 1028933935 /nfs/dbraw/zinc/93/39/35/1028933935.db2.gz AUYPBPKSGVCMOB-WOJBJXKFSA-N 0 3 340.471 3.677 20 30 EHEDHN C=CCn1cc(CN[C@@H](C)CCc2cccc(C(F)(F)F)c2)nn1 ZINC000424298667 1028937681 /nfs/dbraw/zinc/93/76/81/1028937681.db2.gz SXIBANYWTJOXJD-ZDUSSCGKSA-N 0 3 338.377 3.594 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)n1 ZINC000248766799 1028948189 /nfs/dbraw/zinc/94/81/89/1028948189.db2.gz OAOOZTBHXMOETC-VCTAVGKDSA-N 0 3 339.420 3.536 20 30 EHEDHN CN(C)Cc1cccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1 ZINC000454667197 1029158445 /nfs/dbraw/zinc/15/84/45/1029158445.db2.gz NDVGMSVRMOLTFV-UHFFFAOYSA-N 0 3 335.451 3.827 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000505356516 1029488685 /nfs/dbraw/zinc/48/86/85/1029488685.db2.gz XHKKDQKSAHNJSW-QGZVFWFLSA-N 0 3 336.426 3.568 20 30 EHEDHN C=CCCCCC[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000150883295 1029596064 /nfs/dbraw/zinc/59/60/64/1029596064.db2.gz RURVWNCGPOSYPY-UHFFFAOYSA-N 0 3 325.412 3.848 20 30 EHEDHN C=CCCCCC[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000150883295 1029596072 /nfs/dbraw/zinc/59/60/72/1029596072.db2.gz RURVWNCGPOSYPY-UHFFFAOYSA-N 0 3 325.412 3.848 20 30 EHEDHN C=C(C)CC[N@@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000509681035 1029613074 /nfs/dbraw/zinc/61/30/74/1029613074.db2.gz MDPUIKSZMSHQRQ-UHFFFAOYSA-N 0 3 344.480 3.885 20 30 EHEDHN C=C(C)CC[N@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000509681035 1029613084 /nfs/dbraw/zinc/61/30/84/1029613084.db2.gz MDPUIKSZMSHQRQ-UHFFFAOYSA-N 0 3 344.480 3.885 20 30 EHEDHN C=CCC[C@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000272885076 1029822907 /nfs/dbraw/zinc/82/29/07/1029822907.db2.gz YNNWVPDTYBKDCM-APWZRJJASA-N 0 3 327.472 3.644 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(C)ccc2C(F)(F)F)CC1 ZINC000667945506 1029935718 /nfs/dbraw/zinc/93/57/18/1029935718.db2.gz MLHUSJZXGLCMPJ-UHFFFAOYSA-N 0 3 341.377 3.786 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000453340851 1030127152 /nfs/dbraw/zinc/12/71/52/1030127152.db2.gz CRHDSQLEYKZEPM-PJSAGSTRSA-N 0 3 331.847 3.828 20 30 EHEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(=O)OC)cc1 ZINC000453394098 1030245863 /nfs/dbraw/zinc/24/58/63/1030245863.db2.gz VUFQMBFTXRLDGR-GOSISDBHSA-N 0 3 326.371 3.725 20 30 EHEDHN CC[C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000278353357 1030324222 /nfs/dbraw/zinc/32/42/22/1030324222.db2.gz ZODRCTVRBQBBEG-FQEVSTJZSA-N 0 3 333.435 3.926 20 30 EHEDHN C=CCN(C)CCN(CC)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000429727025 1030382731 /nfs/dbraw/zinc/38/27/31/1030382731.db2.gz RPPIMBDVQCGQHH-UHFFFAOYSA-N 0 3 341.286 3.581 20 30 EHEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccncc1F ZINC000340473547 1030858537 /nfs/dbraw/zinc/85/85/37/1030858537.db2.gz KUYAURYWNALEIG-ZFWWWQNUSA-N 0 3 342.393 3.551 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@@H](C)C2CCCCC2)CC1 ZINC000527728237 1031157333 /nfs/dbraw/zinc/15/73/33/1031157333.db2.gz HUDAZIAONCTKFQ-QGZVFWFLSA-N 0 3 335.536 3.885 20 30 EHEDHN CN1CC[C@H](NCC#Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000583963522 1031228002 /nfs/dbraw/zinc/22/80/02/1031228002.db2.gz OWXYPGANTXPKKY-PMACEKPBSA-N 0 3 342.845 3.866 20 30 EHEDHN C=C(Br)CN[C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000161376437 1031507586 /nfs/dbraw/zinc/50/75/86/1031507586.db2.gz XCDMWOMSCOIBNF-QWHCGFSZSA-N 0 3 347.297 3.663 20 30 EHEDHN Cc1ccccc1[C@@H](NCC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000343623179 1031677559 /nfs/dbraw/zinc/67/75/59/1031677559.db2.gz GHQOGEKAAFECEI-QFIPXVFZSA-N 0 3 347.462 3.983 20 30 EHEDHN C[C@H](NC(=O)Nc1cccc(CC#N)c1)[C@H](c1ccccc1)N(C)C ZINC000455910904 1031955629 /nfs/dbraw/zinc/95/56/29/1031955629.db2.gz UQBWCIFSISXWMH-HNAYVOBHSA-N 0 3 336.439 3.566 20 30 EHEDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000573158118 1031995255 /nfs/dbraw/zinc/99/52/55/1031995255.db2.gz LNTFBIVERDTAOW-MLGOLLRUSA-N 0 3 345.830 3.664 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000594435881 1033371606 /nfs/dbraw/zinc/37/16/06/1033371606.db2.gz GCXLXBYQUUQMLR-IAGOWNOFSA-N 0 3 333.863 3.805 20 30 EHEDHN C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594433777 1033372426 /nfs/dbraw/zinc/37/24/26/1033372426.db2.gz SLGGVICXFSLGQC-ISWURRPUSA-N 0 3 333.863 3.565 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000594433495 1033372637 /nfs/dbraw/zinc/37/26/37/1033372637.db2.gz FSMWPPZZKGOWNI-SFHVURJKSA-N 0 3 349.425 3.647 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000594442121 1033375309 /nfs/dbraw/zinc/37/53/09/1033375309.db2.gz BEHHWBLYPNLBSX-SFHVURJKSA-N 0 3 347.890 3.532 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000594446645 1033378224 /nfs/dbraw/zinc/37/82/24/1033378224.db2.gz QUIZQRKXNKZNJT-IBGZPJMESA-N 0 3 349.434 3.638 20 30 EHEDHN COc1ccccc1-c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594427007 1033388782 /nfs/dbraw/zinc/38/87/82/1033388782.db2.gz FUKQZHGZBOIYAX-SFHVURJKSA-N 0 3 337.423 3.712 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000594424440 1033389900 /nfs/dbraw/zinc/38/99/00/1033389900.db2.gz DPEZCDHWBHQFTL-OAQYLSRUSA-N 0 3 349.478 3.736 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000594427749 1033390201 /nfs/dbraw/zinc/39/02/01/1033390201.db2.gz WKFOHMFLLHJRTR-DOTOQJQBSA-N 0 3 345.443 3.504 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(-c2ccccc2)cc1F ZINC000598728366 1033418132 /nfs/dbraw/zinc/41/81/32/1033418132.db2.gz QXVYTKSVYYKHRY-SFHVURJKSA-N 0 3 326.415 3.883 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1F ZINC000170672360 1033432553 /nfs/dbraw/zinc/43/25/53/1033432553.db2.gz XNANYGCGMDCYIN-GOEBONIOSA-N 0 3 332.419 3.725 20 30 EHEDHN C=C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455951479 1033528259 /nfs/dbraw/zinc/52/82/59/1033528259.db2.gz ZSRWTSPYJWWFLC-LBPRGKRZSA-N 0 3 337.851 3.509 20 30 EHEDHN COc1cc2c(cc1F)CN(CCCOc1cccc(C#N)c1)CC2 ZINC000537537743 1033595647 /nfs/dbraw/zinc/59/56/47/1033595647.db2.gz XVCUALFHAGAUQS-UHFFFAOYSA-N 0 3 340.398 3.533 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H](n1cccn1)C(F)(F)F ZINC000599058399 1033697185 /nfs/dbraw/zinc/69/71/85/1033697185.db2.gz UFZLKXPOEJYTHC-HOTGVXAUSA-N 0 3 334.345 3.525 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)N(C)C)cc1 ZINC000537582705 1033765686 /nfs/dbraw/zinc/76/56/86/1033765686.db2.gz PUNAJSOEABMQKY-SFHVURJKSA-N 0 3 341.842 3.553 20 30 EHEDHN N#Cc1cc2cccnc2nc1NC[C@H](c1cccs1)N1CCCC1 ZINC000596053102 1034054787 /nfs/dbraw/zinc/05/47/87/1034054787.db2.gz LUSLVWRFYPCIQL-MRXNPFEDSA-N 0 3 349.463 3.812 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596218882 1034124498 /nfs/dbraw/zinc/12/44/98/1034124498.db2.gz NFAOANLQJLERDN-SMDDNHRTSA-N 0 3 332.860 3.601 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\C1CCCCC1 ZINC000255679062 1034177920 /nfs/dbraw/zinc/17/79/20/1034177920.db2.gz KKJGMMGMFZOLPW-SEYXRHQNSA-N 0 3 339.483 3.585 20 30 EHEDHN C=CCC(CC=C)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456349530 1034338835 /nfs/dbraw/zinc/33/88/35/1034338835.db2.gz VWHNAMQSRFDZTA-GOSISDBHSA-N 0 3 326.484 3.735 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cscc2-c2ccccc2)CC1 ZINC000685716709 1034358880 /nfs/dbraw/zinc/35/88/80/1034358880.db2.gz FJVTUNAIXAMAON-UHFFFAOYSA-N 0 3 326.465 3.795 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(Cn3cccn3)cc2)cc1 ZINC000171562902 1034462011 /nfs/dbraw/zinc/46/20/11/1034462011.db2.gz GXLVPYBLLYXDMR-KRWDZBQOSA-N 0 3 346.434 3.512 20 30 EHEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1COc2ccccc2O1 ZINC000596978058 1034477637 /nfs/dbraw/zinc/47/76/37/1034477637.db2.gz SICNOSUFMHFBRX-SFHVURJKSA-N 0 3 334.419 3.514 20 30 EHEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000060467917 1034573708 /nfs/dbraw/zinc/57/37/08/1034573708.db2.gz IQYXFLWXWZTASE-KRWDZBQOSA-N 0 3 334.341 3.742 20 30 EHEDHN COC(=O)c1cccc(CNC(C)(C)CCc2ccccc2)c1C#N ZINC000534473077 1034596756 /nfs/dbraw/zinc/59/67/56/1034596756.db2.gz BUQFKZFQOHNRNW-UHFFFAOYSA-N 0 3 336.435 3.846 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(N(CC)C(C)C)cc2)CC1 ZINC000171739426 1034608994 /nfs/dbraw/zinc/60/89/94/1034608994.db2.gz NYERKGGFYDBYBG-UHFFFAOYSA-N 0 3 344.503 3.693 20 30 EHEDHN C=C(Br)CN[C@H](C)Cc1ccc(Br)cc1 ZINC000235483092 1034644764 /nfs/dbraw/zinc/64/47/64/1034644764.db2.gz ZIFPHMRMQLUBAO-SNVBAGLBSA-N 0 3 333.067 3.878 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000450812704 1034821384 /nfs/dbraw/zinc/82/13/84/1034821384.db2.gz QTCBFWFSNPZQKB-QGZVFWFLSA-N 0 3 347.462 3.719 20 30 EHEDHN CC1(C)CC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)OC1 ZINC000892489503 1034841954 /nfs/dbraw/zinc/84/19/54/1034841954.db2.gz KYCFHBJRYGZULB-QWHCGFSZSA-N 0 3 348.830 3.583 20 30 EHEDHN N#Cc1csc(CNC[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000177705053 1035334818 /nfs/dbraw/zinc/33/48/18/1035334818.db2.gz MGYSRCKNAHWABT-CYBMUJFWSA-N 0 3 327.236 3.750 20 30 EHEDHN Cc1nn(C(C)(C)C)c(C)c1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000613286930 1035495017 /nfs/dbraw/zinc/49/50/17/1035495017.db2.gz OISMMEWEYPFQFA-AWEZNQCLSA-N 0 3 349.438 3.632 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCCCC#N ZINC000588381309 1035916234 /nfs/dbraw/zinc/91/62/34/1035916234.db2.gz VPWJVECVKJUVIV-GOSISDBHSA-N 0 3 327.472 3.583 20 30 EHEDHN Cn1cc(CNCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1C#N ZINC000191043274 1036044312 /nfs/dbraw/zinc/04/43/12/1036044312.db2.gz UNZACNPXXLWCBR-UHFFFAOYSA-N 0 3 341.418 3.730 20 30 EHEDHN C#CCN(C(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CCc2ccccc21 ZINC000170706475 1036128869 /nfs/dbraw/zinc/12/88/69/1036128869.db2.gz VJWALNJFJVAJMJ-OAQYLSRUSA-N 0 3 347.462 3.903 20 30 EHEDHN CC1=C[C@H](C)C[C@@H](CN2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 ZINC000589495866 1036437819 /nfs/dbraw/zinc/43/78/19/1036437819.db2.gz GOBIVHWIVWAOFU-GOEBONIOSA-N 0 3 340.471 3.538 20 30 EHEDHN CC[C@@H](c1ccc(F)cc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428789755 1036951002 /nfs/dbraw/zinc/95/10/02/1036951002.db2.gz PDMVRRMQXGXQHT-MSOLQXFVSA-N 0 3 325.387 3.697 20 30 EHEDHN C=CCSc1ccccc1NC(=O)CN([C@H](C)CO)C1CCCC1 ZINC000472596282 1036990885 /nfs/dbraw/zinc/99/08/85/1036990885.db2.gz AKFKQDQNCDCTNN-OAHLLOKOSA-N 0 3 348.512 3.529 20 30 EHEDHN CC[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000180621400 1037018442 /nfs/dbraw/zinc/01/84/42/1037018442.db2.gz FSYUJDMEOCKZOE-QGZVFWFLSA-N 0 3 326.371 3.709 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C2CCC2)C1 ZINC000591062106 1037222346 /nfs/dbraw/zinc/22/23/46/1037222346.db2.gz VYKCWQJUPGURIA-DOTOQJQBSA-N 0 3 343.446 3.583 20 30 EHEDHN C#C[C@H](NC(=O)c1ccccc1CN(C)C)c1ccc(Cl)cc1 ZINC000491360243 1037419552 /nfs/dbraw/zinc/41/95/52/1037419552.db2.gz DRFUXKPMQZVBTB-SFHVURJKSA-N 0 3 326.827 3.506 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000491452078 1037479951 /nfs/dbraw/zinc/47/99/51/1037479951.db2.gz IERJCLUTWYZPFK-DOTOQJQBSA-N 0 3 343.471 3.856 20 30 EHEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000352889304 1037485986 /nfs/dbraw/zinc/48/59/86/1037485986.db2.gz XZDGKEIEBLSLEM-BBRMVZONSA-N 0 3 338.398 3.675 20 30 EHEDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C#N)c1 ZINC000271860995 1037517147 /nfs/dbraw/zinc/51/71/47/1037517147.db2.gz KJBVSKMLXPWQQQ-KRWDZBQOSA-N 0 3 349.478 3.618 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC000592075761 1037831145 /nfs/dbraw/zinc/83/11/45/1037831145.db2.gz NHLHRDKUEQKZPM-UHFFFAOYSA-N 0 3 331.847 3.592 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCOC2)c(Br)c1 ZINC000592134907 1037844435 /nfs/dbraw/zinc/84/44/35/1037844435.db2.gz SGYAAVOFDQOCDP-WBVHZDCISA-N 0 3 349.272 3.712 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](CC1CCCC1)c1ccccc1 ZINC000540433582 1037952911 /nfs/dbraw/zinc/95/29/11/1037952911.db2.gz WJCJCCAVJHFSOZ-TZIWHRDSSA-N 0 3 341.499 3.952 20 30 EHEDHN COc1cccc(COCCN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508956 1038349204 /nfs/dbraw/zinc/34/92/04/1038349204.db2.gz PHLZJMHISMZDIQ-AWEZNQCLSA-N 0 3 328.387 3.573 20 30 EHEDHN COCCOCCN(Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000488182975 1038950524 /nfs/dbraw/zinc/95/05/24/1038950524.db2.gz XHWPBSQKCCIDMQ-UHFFFAOYSA-N 0 3 338.451 3.532 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000552205012 1039059133 /nfs/dbraw/zinc/05/91/33/1039059133.db2.gz MGCJLFGCGXPMHM-CVAIRZPRSA-N 0 3 327.472 3.560 20 30 EHEDHN N#CCCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000236628723 1039230605 /nfs/dbraw/zinc/23/06/05/1039230605.db2.gz LPRGDHYEBPOIDG-UHFFFAOYSA-N 0 3 333.233 3.623 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000912125384 1039704503 /nfs/dbraw/zinc/70/45/03/1039704503.db2.gz ZWQCWZWAXORSNT-AWEZNQCLSA-N 0 3 349.500 3.747 20 30 EHEDHN CC[C@H](C)CN(CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000489361929 1039901615 /nfs/dbraw/zinc/90/16/15/1039901615.db2.gz TZFWBBMCIOTFBP-QWHCGFSZSA-N 0 3 333.501 3.803 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000912448979 1039911165 /nfs/dbraw/zinc/91/11/65/1039911165.db2.gz CFOKQNSCGAKYEU-QGZVFWFLSA-N 0 3 333.476 3.970 20 30 EHEDHN CCC(CC)(NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000110331016 1039987277 /nfs/dbraw/zinc/98/72/77/1039987277.db2.gz HTTVEOBSRKTVNP-SFHVURJKSA-N 0 3 349.906 3.999 20 30 EHEDHN COc1cc(CNCc2cccc(OC(F)(F)F)c2)ccc1C#N ZINC000573529152 1040154360 /nfs/dbraw/zinc/15/43/60/1040154360.db2.gz VINHGHHKKYJHST-UHFFFAOYSA-N 0 3 336.313 3.755 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCOC2CCSCC2)c([O-])c1 ZINC000899233657 1040190953 /nfs/dbraw/zinc/19/09/53/1040190953.db2.gz MCBWGTXCZHYJFD-RGEXLXHISA-N 0 3 336.501 3.570 20 30 EHEDHN CC(C)(C#N)c1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000614160026 1040304939 /nfs/dbraw/zinc/30/49/39/1040304939.db2.gz JVRWHYMREJGNDH-UHFFFAOYSA-N 0 3 347.462 3.751 20 30 EHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000553863081 1040537908 /nfs/dbraw/zinc/53/79/08/1040537908.db2.gz MTGUPIJNANDNKG-HXUWFJFHSA-N 0 3 340.854 3.803 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cncc(Br)c1 ZINC000418147855 1040662319 /nfs/dbraw/zinc/66/23/19/1040662319.db2.gz RXBMVHDOVIWCPM-KRWDZBQOSA-N 0 3 342.240 3.883 20 30 EHEDHN COc1ccc([C@@H]2CCN(Cc3ccc(C#N)c(OC)c3)C2)cc1F ZINC000600213433 1040830811 /nfs/dbraw/zinc/83/08/11/1040830811.db2.gz FINLCPRWIKXMKO-QGZVFWFLSA-N 0 3 340.398 3.704 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433373750 1041344231 /nfs/dbraw/zinc/34/42/31/1041344231.db2.gz KSRNTOHOSIXJDD-LJQANCHMSA-N 0 3 335.451 3.768 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000660450508 1041426077 /nfs/dbraw/zinc/42/60/77/1041426077.db2.gz SGJLGANYRYJSFH-AFYVEPGGSA-N 0 3 339.483 3.715 20 30 EHEDHN N#CC(C(=O)CCCOc1cccc(F)c1)c1nc2ccccc2[nH]1 ZINC000125074826 1041859001 /nfs/dbraw/zinc/85/90/01/1041859001.db2.gz IZDVLFSSSNXAHO-HNNXBMFYSA-N 0 3 337.354 3.737 20 30 EHEDHN C=CCN(Cc1ccc(OCc2ccccn2)cc1)[C@H](C)COC ZINC000661241693 1042023397 /nfs/dbraw/zinc/02/33/97/1042023397.db2.gz AJUYEMUODNXCAZ-QGZVFWFLSA-N 0 3 326.440 3.684 20 30 EHEDHN Cc1csc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1C#N ZINC000568763072 1042857456 /nfs/dbraw/zinc/85/74/56/1042857456.db2.gz CRBFVAYJYQCMAG-CZUORRHYSA-N 0 3 342.468 3.741 20 30 EHEDHN N#CCCCCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000604538866 1042961101 /nfs/dbraw/zinc/96/11/01/1042961101.db2.gz ZCXRICQUPYKNIB-UHFFFAOYSA-N 0 3 325.378 3.517 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2cccc(OCCOC)c2)cc1 ZINC000163002272 1043003832 /nfs/dbraw/zinc/00/38/32/1043003832.db2.gz YUFMLEJMNKWHIS-KRWDZBQOSA-N 0 3 339.435 3.575 20 30 EHEDHN Cc1nn(-c2ccncc2)cc1CN[C@@H](CCC#N)c1ccccc1 ZINC000344299431 1043622790 /nfs/dbraw/zinc/62/27/90/1043622790.db2.gz HVQDKHUEPGNHQM-FQEVSTJZSA-N 0 3 331.423 3.710 20 30 EHEDHN Cc1csc(C(C#N)C(=O)CSc2nc3cc(C)ccc3o2)n1 ZINC000072626537 1126811454 /nfs/dbraw/zinc/81/14/54/1126811454.db2.gz HDJPGXJIKACZSK-NSHDSACASA-N 0 3 343.433 3.870 20 30 EHEDHN C#CCN(CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000763951377 1126959117 /nfs/dbraw/zinc/95/91/17/1126959117.db2.gz WKMNXJXPCTUBFG-UHFFFAOYSA-N 0 3 334.419 3.905 20 30 EHEDHN FC(F)C(F)(F)COCCNCc1ccsc1C(F)(F)F ZINC000623508335 1126969099 /nfs/dbraw/zinc/96/90/99/1126969099.db2.gz SYVOWVVKUPSPTA-UHFFFAOYSA-N 0 3 339.276 3.774 20 30 EHEDHN C#CCN(C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1)C1CC1 ZINC000763960418 1126987529 /nfs/dbraw/zinc/98/75/29/1126987529.db2.gz NWQZRDWPBZPGBW-DHIUTWEWSA-N 0 3 349.474 3.560 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000180288634 1127140910 /nfs/dbraw/zinc/14/09/10/1127140910.db2.gz DWYBWOXXXKALJN-MGPUTAFESA-N 0 3 345.462 3.655 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)nc21 ZINC000763987685 1127201226 /nfs/dbraw/zinc/20/12/26/1127201226.db2.gz NYJJGYGROMCBHE-IUODEOHRSA-N 0 3 348.362 3.760 20 30 EHEDHN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000764887806 1127546368 /nfs/dbraw/zinc/54/63/68/1127546368.db2.gz HDEITKIRJFKJIU-ULUUYHDOSA-N 0 3 328.843 3.985 20 30 EHEDHN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000764887806 1127546371 /nfs/dbraw/zinc/54/63/71/1127546371.db2.gz HDEITKIRJFKJIU-ULUUYHDOSA-N 0 3 328.843 3.985 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccnc(N2CCCCC2)c1 ZINC000921546712 1127723167 /nfs/dbraw/zinc/72/31/67/1127723167.db2.gz MSZXPAAFOKHSGO-UHFFFAOYSA-N 0 3 334.467 3.850 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCCCc2ccc(Cl)cc2)CC1 ZINC000106268539 1128488376 /nfs/dbraw/zinc/48/83/76/1128488376.db2.gz VKJIVCXVUFTZSE-UHFFFAOYSA-N 0 3 349.906 3.612 20 30 EHEDHN COc1cccc([C@@H](CNc2cccc(F)c2C#N)N2CCCC2)c1 ZINC000301055905 1128571463 /nfs/dbraw/zinc/57/14/63/1128571463.db2.gz DKHXESAIGJAQAE-HXUWFJFHSA-N 0 3 339.414 3.955 20 30 EHEDHN CN(C)[C@H](CNc1cc(C#N)nc2ccccc21)c1cccc(F)c1 ZINC000301325829 1128584451 /nfs/dbraw/zinc/58/44/51/1128584451.db2.gz AQQGCTSFVCMEAD-HXUWFJFHSA-N 0 3 334.398 3.960 20 30 EHEDHN N#Cc1cc(F)c(NCCCN2CCc3ccccc3C2)c(F)c1 ZINC000303024264 1128662324 /nfs/dbraw/zinc/66/23/24/1128662324.db2.gz NUKXHCSWKSDRTK-UHFFFAOYSA-N 0 3 327.378 3.697 20 30 EHEDHN COC(C)(C)C[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000921783721 1128758679 /nfs/dbraw/zinc/75/86/79/1128758679.db2.gz HQJHZNYRJKMRLO-LLVKDONJSA-N 0 3 325.250 3.614 20 30 EHEDHN N#Cc1ccc(N2CCN(CCc3cccs3)CC2)cc1Cl ZINC000110788947 1128806696 /nfs/dbraw/zinc/80/66/96/1128806696.db2.gz NVDFBTQCUDOCIY-UHFFFAOYSA-N 0 3 331.872 3.638 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000189728974 1120608596 /nfs/dbraw/zinc/60/85/96/1120608596.db2.gz LLRZFVVPGXDVRG-UHFFFAOYSA-N 0 3 344.352 3.615 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000494721204 1120744061 /nfs/dbraw/zinc/74/40/61/1120744061.db2.gz SPTHAUJFVKVQHA-OALUTQOASA-N 0 3 327.472 3.574 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000032070573 1120882597 /nfs/dbraw/zinc/88/25/97/1120882597.db2.gz JSCVJCORUAQARI-DZSVRRGNSA-N 0 3 326.440 3.699 20 30 EHEDHN C[C@H](N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(C#N)cc1F ZINC000494971549 1120918842 /nfs/dbraw/zinc/91/88/42/1120918842.db2.gz MMPAJESFYPHWGS-SJCJKPOMSA-N 0 3 347.434 3.651 20 30 EHEDHN Cc1ccc2ncc(C#N)c(NC[C@@H](c3ccsc3)N(C)C)c2c1 ZINC000487915321 1121227245 /nfs/dbraw/zinc/22/72/45/1121227245.db2.gz KDRWLANVNVQVKK-SFHVURJKSA-N 0 3 336.464 3.613 20 30 EHEDHN CCN(CC1(C#N)CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496625190 1122133652 /nfs/dbraw/zinc/13/36/52/1122133652.db2.gz QCJILZINSHKVNM-MRXNPFEDSA-N 0 3 335.492 3.792 20 30 EHEDHN Cc1ccc(SCC(=O)C(C#N)C(=O)NC2CCCCC2)c(C)c1 ZINC000916893978 1122377054 /nfs/dbraw/zinc/37/70/54/1122377054.db2.gz OAHCTCJNRLNMBO-MRXNPFEDSA-N 0 3 344.480 3.553 20 30 EHEDHN N#CC(C(=O)CCc1cccs1)C(=O)Nc1ccccc1Cl ZINC000916907515 1122392394 /nfs/dbraw/zinc/39/23/94/1122392394.db2.gz BOROAUSXGLOCLY-GFCCVEGCSA-N 0 3 332.812 3.682 20 30 EHEDHN CCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000916912594 1122393161 /nfs/dbraw/zinc/39/31/61/1122393161.db2.gz RMLDYJKKAOGQBX-LLVKDONJSA-N 0 3 332.812 3.925 20 30 EHEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000916948683 1122409799 /nfs/dbraw/zinc/40/97/99/1122409799.db2.gz JIZLJMIOGKQZBY-RHSMWYFYSA-N 0 3 330.428 3.664 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccccc3)CC2(C)C)CC1 ZINC000917142248 1122536011 /nfs/dbraw/zinc/53/60/11/1122536011.db2.gz WUHLUDBAHKPKEZ-GOSISDBHSA-N 0 3 341.499 3.615 20 30 EHEDHN [O-]c1c(O)ccc(C=Nc2ccc(CC[NH+]3CCCCC3)cc2)c1O ZINC000917557658 1122637620 /nfs/dbraw/zinc/63/76/20/1122637620.db2.gz FKIPGNAJYDXMQN-UHFFFAOYSA-N 0 3 340.423 3.582 20 30 EHEDHN C[C@@H]1CCC[C@@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000499042589 1123168338 /nfs/dbraw/zinc/16/83/38/1123168338.db2.gz GLJVDQSHNZLVLG-QZTJIDSGSA-N 0 3 341.499 3.665 20 30 EHEDHN C[C@@H](Cc1ccccc1Cl)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000155112194 1123186488 /nfs/dbraw/zinc/18/64/88/1123186488.db2.gz XCDIALOLOOPCMQ-BBRMVZONSA-N 0 3 346.858 3.676 20 30 EHEDHN CCCCCCCCC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000919860721 1123193716 /nfs/dbraw/zinc/19/37/16/1123193716.db2.gz FQQVXTDMSPHGTK-UHFFFAOYSA-N 0 3 332.492 3.523 20 30 EHEDHN CC(C)[C@@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000920419343 1123366735 /nfs/dbraw/zinc/36/67/35/1123366735.db2.gz ZCOLNTDDKQGAEO-HIFRSBDPSA-N 0 3 327.453 3.593 20 30 EHEDHN CN(C(=O)CN1CCCC2(CCCCC2)C1)C1(C#N)CCCCC1 ZINC000609541284 1123607578 /nfs/dbraw/zinc/60/75/78/1123607578.db2.gz ASVWYEVYSLGDRE-UHFFFAOYSA-N 0 3 331.504 3.718 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1F)c1nc2cc(F)ccc2s1 ZINC000609627415 1123628837 /nfs/dbraw/zinc/62/88/37/1123628837.db2.gz OQBLPEDELJGIFI-SNVBAGLBSA-N 0 3 329.331 3.820 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000609627621 1123629546 /nfs/dbraw/zinc/62/95/46/1123629546.db2.gz WDDKVWKGYWHSBV-ZDUSSCGKSA-N 0 3 341.367 3.690 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(CC1CCC1)[C@H](C)c1ccccc1 ZINC000610134095 1123739065 /nfs/dbraw/zinc/73/90/65/1123739065.db2.gz BAEKAANFYSOZPC-DYESRHJHSA-N 0 3 341.499 3.904 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000179627454 1123804266 /nfs/dbraw/zinc/80/42/66/1123804266.db2.gz NNGKYALHYPSTIS-GOSISDBHSA-N 0 3 343.377 3.906 20 30 EHEDHN CC(C)C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000179717488 1123832368 /nfs/dbraw/zinc/83/23/68/1123832368.db2.gz OZTQSZIFDQCZGK-HKUYNNGSSA-N 0 3 347.890 3.825 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000180024636 1123920447 /nfs/dbraw/zinc/92/04/47/1123920447.db2.gz SEJATQHOBTWVKM-QOIYZWAUSA-N 0 3 347.890 3.635 20 30 EHEDHN CC(C)(NCc1ccnc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000616136076 1123949284 /nfs/dbraw/zinc/94/92/84/1123949284.db2.gz IHYUKWJFZSURGX-UHFFFAOYSA-N 0 3 335.329 3.877 20 30 EHEDHN C[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)c1cccc(C#N)c1 ZINC000181605828 1124974663 /nfs/dbraw/zinc/97/46/63/1124974663.db2.gz ZBNUECDROHSMEA-QGZVFWFLSA-N 0 3 343.430 3.619 20 30 EHEDHN CC(C)[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000735311208 1131334475 /nfs/dbraw/zinc/33/44/75/1131334475.db2.gz BSVBXXCGUDHBLN-HOCLYGCPSA-N 0 3 341.480 3.983 20 30 EHEDHN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1OC(F)F ZINC000618742230 1125179903 /nfs/dbraw/zinc/17/99/03/1125179903.db2.gz UJTMKYYJSMLRFC-MRXNPFEDSA-N 0 3 344.361 3.945 20 30 EHEDHN C[S@](=O)c1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000619508587 1125354321 /nfs/dbraw/zinc/35/43/21/1125354321.db2.gz NMNMUIRCOPTTDX-RDPSFJRHSA-N 0 3 338.476 3.853 20 30 EHEDHN C=CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121247 1129236963 /nfs/dbraw/zinc/23/69/63/1129236963.db2.gz XOFPHEUJDMHBPK-FQEVSTJZSA-N 0 3 337.467 3.687 20 30 EHEDHN COc1ccc(Br)cc1CN[C@@H](C)CC(C)(C)C#N ZINC000925354933 1129287537 /nfs/dbraw/zinc/28/75/37/1129287537.db2.gz CKYQVLRTDAKFEF-NSHDSACASA-N 0 3 325.250 3.876 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466397805 1129419457 /nfs/dbraw/zinc/41/94/57/1129419457.db2.gz GBTINHVMMZRZQM-RTBURBONSA-N 0 3 329.488 3.647 20 30 EHEDHN CO[C@H]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000091772725 1129523048 /nfs/dbraw/zinc/52/30/48/1129523048.db2.gz BHLQNFGAVMAYSI-NRFANRHFSA-N 0 3 336.435 3.748 20 30 EHEDHN N#Cc1ccc2ncc(CN3CCC[C@@H](c4ccccc4)CC3)n2c1 ZINC000093003701 1129572273 /nfs/dbraw/zinc/57/22/73/1129572273.db2.gz APSUDHMPNRSUAI-LJQANCHMSA-N 0 3 330.435 3.976 20 30 EHEDHN C[C@H]1Cc2cc(CNCc3cccc(OCCCC#N)c3)ccc2O1 ZINC000922702412 1129637278 /nfs/dbraw/zinc/63/72/78/1129637278.db2.gz KPPHMADBODQPFK-INIZCTEOSA-N 0 3 336.435 3.982 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000625320694 1129826091 /nfs/dbraw/zinc/82/60/91/1129826091.db2.gz GBAADKNYMAKJPC-UHFFFAOYSA-N 0 3 346.780 3.739 20 30 EHEDHN CCN1CC[C@@H](NCc2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245585063 1130245296 /nfs/dbraw/zinc/24/52/96/1130245296.db2.gz IYTAZUINCYZQKD-QZTJIDSGSA-N 0 3 347.821 3.869 20 30 EHEDHN C[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000174444085 1130358711 /nfs/dbraw/zinc/35/87/11/1130358711.db2.gz VGWRCXJWOKLHRN-KRWDZBQOSA-N 0 3 348.450 3.687 20 30 EHEDHN C=CCN1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000729943119 1130657555 /nfs/dbraw/zinc/65/75/55/1130657555.db2.gz ZREDRVJLXBUARU-UHFFFAOYSA-N 0 3 344.311 3.930 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000729977205 1130661610 /nfs/dbraw/zinc/66/16/10/1130661610.db2.gz OAMXVMXINBVUPS-UHFFFAOYSA-N 0 3 348.537 3.545 20 30 EHEDHN C#CCOc1cccc(OC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000730499663 1130717257 /nfs/dbraw/zinc/71/72/57/1130717257.db2.gz DORDCELRKZVKJQ-IBGZPJMESA-N 0 3 349.430 3.516 20 30 EHEDHN CCOCCC[N@@H+]1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000734366615 1131225762 /nfs/dbraw/zinc/22/57/62/1131225762.db2.gz ZJYIKTKLOQUKHM-HMYFIOGXSA-N 0 3 338.879 3.602 20 30 EHEDHN CCOCCC[N@H+]1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000734366615 1131225765 /nfs/dbraw/zinc/22/57/65/1131225765.db2.gz ZJYIKTKLOQUKHM-HMYFIOGXSA-N 0 3 338.879 3.602 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1cccs1 ZINC000739156587 1131493843 /nfs/dbraw/zinc/49/38/43/1131493843.db2.gz ZJEYHPAYAXEUSW-MNOVXSKESA-N 0 3 332.812 3.853 20 30 EHEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172717450 1131818997 /nfs/dbraw/zinc/81/89/97/1131818997.db2.gz GEBZOFAPBVJUQD-HSALFYBXSA-N 0 3 347.886 3.633 20 30 EHEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000744032936 1132013707 /nfs/dbraw/zinc/01/37/07/1132013707.db2.gz PBVRCKHLVIJZMX-ZYHUDNBSSA-N 0 3 348.761 3.832 20 30 EHEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000744032934 1132013847 /nfs/dbraw/zinc/01/38/47/1132013847.db2.gz PBVRCKHLVIJZMX-JQWIXIFHSA-N 0 3 348.761 3.832 20 30 EHEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C1CCC(CC#N)CC1 ZINC001173336392 1132052612 /nfs/dbraw/zinc/05/26/12/1132052612.db2.gz XPQHICDXHIDHJF-XNIRIUNOSA-N 0 3 335.492 3.789 20 30 EHEDHN C[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000745170681 1132212845 /nfs/dbraw/zinc/21/28/45/1132212845.db2.gz JKWUHEDOBLTPKR-KBPBESRZSA-N 0 3 327.453 3.595 20 30 EHEDHN CCN1CCN(c2ccc(Nc3ccc(F)c(CC#N)c3)cc2)CC1 ZINC001175781136 1132764717 /nfs/dbraw/zinc/76/47/17/1132764717.db2.gz FLWBXUVCZGXCQR-UHFFFAOYSA-N 0 3 338.430 3.777 20 30 EHEDHN C#CCC(C)(C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000767067902 1132940938 /nfs/dbraw/zinc/94/09/38/1132940938.db2.gz ZPGCFAAMJALMDA-LJQANCHMSA-N 0 3 326.484 3.625 20 30 EHEDHN C#Cc1cccc(CNCc2cccc(OCc3ccccn3)c2)c1 ZINC001178948901 1133216423 /nfs/dbraw/zinc/21/64/23/1133216423.db2.gz BOLJICHPJBZTOY-UHFFFAOYSA-N 0 3 328.415 3.932 20 30 EHEDHN C#CCN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)C1CCCC1 ZINC000769531316 1133309853 /nfs/dbraw/zinc/30/98/53/1133309853.db2.gz QUTBEAIZLWOIDU-UHFFFAOYSA-N 0 3 329.444 3.806 20 30 EHEDHN CN(CCC#N)c1ccc(CNC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000769934725 1133368767 /nfs/dbraw/zinc/36/87/67/1133368767.db2.gz VMOPITDHIUXTRF-UHFFFAOYSA-N 0 3 349.434 3.544 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc(F)c2ccccc21 ZINC001183508033 1133819953 /nfs/dbraw/zinc/81/99/53/1133819953.db2.gz IUNLNSUKSUTTAD-HOTGVXAUSA-N 0 3 340.442 3.849 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184403279 1133935523 /nfs/dbraw/zinc/93/55/23/1133935523.db2.gz QXZOIZAKYPMNHN-QGZVFWFLSA-N 0 3 334.891 3.977 20 30 EHEDHN CCCC[C@H](CC)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074849 1133946038 /nfs/dbraw/zinc/94/60/38/1133946038.db2.gz SDGFSYPBPCVMRG-FUHWJXTLSA-N 0 3 328.456 3.960 20 30 EHEDHN C#CCC1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC000788460369 1134127714 /nfs/dbraw/zinc/12/77/14/1134127714.db2.gz QECPCNZJPCWXOV-ICSRJNTNSA-N 0 3 338.495 3.597 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)NCc2cccn(CC)c2=O)cc1 ZINC000788606857 1134150470 /nfs/dbraw/zinc/15/04/70/1134150470.db2.gz YMWIJIOBMNHAHI-HNNXBMFYSA-N 0 3 346.858 3.850 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccc(N(C)C)cc1)Cc1cccs1 ZINC000790123045 1134375998 /nfs/dbraw/zinc/37/59/98/1134375998.db2.gz CPILITVTGMQPRW-UHFFFAOYSA-N 0 3 343.496 3.831 20 30 EHEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)Nc1ccccc1Cl ZINC000775226684 1134548835 /nfs/dbraw/zinc/54/88/35/1134548835.db2.gz IEPBUKUUSONGQL-LLVKDONJSA-N 0 3 348.736 3.508 20 30 EHEDHN Cc1ccc(CN)nc1N(C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359623 1134755526 /nfs/dbraw/zinc/75/55/26/1134755526.db2.gz CPUBDCMRFLQJHN-UHFFFAOYSA-N 0 3 334.467 3.689 20 30 EHEDHN N#CC1(c2ccccc2)CCC(N2CCCc3ccc(CN)nc32)CC1 ZINC001170367065 1134757716 /nfs/dbraw/zinc/75/77/16/1134757716.db2.gz DWDATLHHQPQQEN-UHFFFAOYSA-N 0 3 346.478 3.697 20 30 EHEDHN CCc1ccc([C@H](C/N=C/c2cccc(OC)c2O)N(C)C)cc1 ZINC000005292395 1134920895 /nfs/dbraw/zinc/92/08/95/1134920895.db2.gz SGGMJRDSQPPKHC-LANLRWRYSA-N 0 3 326.440 3.685 20 30 EHEDHN C#C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1ccc(Cl)cc1F ZINC000804420403 1135064065 /nfs/dbraw/zinc/06/40/65/1135064065.db2.gz HIEOALBEYYYPEP-FJZAXULXSA-N 0 3 336.838 3.531 20 30 EHEDHN C#C[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc(Cl)cc1F ZINC000804421743 1135064977 /nfs/dbraw/zinc/06/49/77/1135064977.db2.gz FRAUFJSODPWJSF-GOSISDBHSA-N 0 3 344.817 3.645 20 30 EHEDHN CCCCNC(=O)OC[C@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC001194279994 1135248157 /nfs/dbraw/zinc/24/81/57/1135248157.db2.gz OLOXSGZGQGAKGZ-LJQANCHMSA-N 0 3 343.471 3.748 20 30 EHEDHN C#CC[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000805917287 1135350006 /nfs/dbraw/zinc/35/00/06/1135350006.db2.gz HEIQOCUONKRNCH-LJQANCHMSA-N 0 3 327.468 3.880 20 30 EHEDHN C=C(C)CN(C)Cc1ccc(I)c(Cl)c1 ZINC001196293417 1135543613 /nfs/dbraw/zinc/54/36/13/1135543613.db2.gz KYZYETYRAZLJLC-UHFFFAOYSA-N 0 3 335.616 3.953 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC001196330432 1135547120 /nfs/dbraw/zinc/54/71/20/1135547120.db2.gz YEADPICIFMACAG-BGYRXZFFSA-N 0 3 340.511 3.826 20 30 EHEDHN C[C@H]1CCCC[C@H]1OCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC001196418766 1135561604 /nfs/dbraw/zinc/56/16/04/1135561604.db2.gz GKSLIEIGYVYQHL-OXJNMPFZSA-N 0 3 327.472 3.728 20 30 EHEDHN C#CCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CCCCC1 ZINC000807740908 1135567415 /nfs/dbraw/zinc/56/74/15/1135567415.db2.gz WVRUFBPTRMEDAN-UYAOXDASSA-N 0 3 338.495 3.739 20 30 EHEDHN C#CCN(C[C@@H]1CC2(CO1)CCOCC2)[C@@H]1CCCc2ccccc21 ZINC001198105303 1135776182 /nfs/dbraw/zinc/77/61/82/1135776182.db2.gz WSPATRHWPANYNN-PZJWPPBQSA-N 0 3 339.479 3.585 20 30 EHEDHN CC(C)(C)c1ccc(NC(=S)N2CCC3SC(=O)C=C3C2)cc1 ZINC001198474021 1135824933 /nfs/dbraw/zinc/82/49/33/1135824933.db2.gz PQAJGVXNSXSJFF-OAHLLOKOSA-N 0 3 346.521 3.955 20 30 EHEDHN C#Cc1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000809638009 1135863918 /nfs/dbraw/zinc/86/39/18/1135863918.db2.gz VNMCEOJFANYXNM-MRXNPFEDSA-N 0 3 333.357 3.720 20 30 EHEDHN C=CCCn1cc(CNCC(c2ccccc2)c2ccccc2)nn1 ZINC001198943155 1135866985 /nfs/dbraw/zinc/86/69/85/1135866985.db2.gz SPOOPWSDYKRAPI-UHFFFAOYSA-N 0 3 332.451 3.776 20 30 EHEDHN N#Cc1ccc(CNCC[C@H](O)c2ccc(Cl)c(Cl)c2)o1 ZINC000809754193 1135886511 /nfs/dbraw/zinc/88/65/11/1135886511.db2.gz FKZNDWMPBDCHCT-HNNXBMFYSA-N 0 3 325.195 3.671 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000776005369 1135915757 /nfs/dbraw/zinc/91/57/57/1135915757.db2.gz FWAKZFKJAITDOD-FQEVSTJZSA-N 0 3 327.472 3.660 20 30 EHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(N2CCOC2=O)cc1 ZINC000810212194 1135944044 /nfs/dbraw/zinc/94/40/44/1135944044.db2.gz NQBJUYINHQDBNX-VBKZILBWSA-N 0 3 347.418 3.853 20 30 EHEDHN C=CCc1cc(CNCc2ccc(OC)cc2)cc(OC)c1OC ZINC000105478314 1135948410 /nfs/dbraw/zinc/94/84/10/1135948410.db2.gz QRWJQHPWIKBVNH-UHFFFAOYSA-N 0 3 327.424 3.731 20 30 EHEDHN CCCCCCCN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001201776938 1136065399 /nfs/dbraw/zinc/06/53/99/1136065399.db2.gz PPJVGVGWLUYYQB-CEXWTWQISA-N 0 3 332.488 3.910 20 30 EHEDHN C=CCc1cc(OC)cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000811792648 1136141687 /nfs/dbraw/zinc/14/16/87/1136141687.db2.gz QKQNVABGQRZDJV-AZUAARDMSA-N 0 3 343.467 3.663 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@](C)(CC)c2ccccc2)CC1 ZINC000107848208 1136179071 /nfs/dbraw/zinc/17/90/71/1136179071.db2.gz SRVPQJVCWUAZCP-FQEVSTJZSA-N 0 3 329.488 3.652 20 30 EHEDHN C=CCN1CC[C@H](N2CCCCC[C@H]2Cc2ccccc2Cl)C1=O ZINC001170668177 1136186340 /nfs/dbraw/zinc/18/63/40/1136186340.db2.gz BITXQJFYONLFAE-HKUYNNGSSA-N 0 3 346.902 3.914 20 30 EHEDHN COc1ccc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c(CC#N)c1 ZINC001170682125 1136229195 /nfs/dbraw/zinc/22/91/95/1136229195.db2.gz LAEDUSZPURFYAC-AWEZNQCLSA-N 0 3 332.407 3.634 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc2c(C#N)c[nH]c2c1 ZINC001170682119 1136229295 /nfs/dbraw/zinc/22/92/95/1136229295.db2.gz KYODFZDOEWFNHZ-ZDUSSCGKSA-N 0 3 327.391 3.912 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@H](OC)C2)cc1 ZINC000850761098 1136301685 /nfs/dbraw/zinc/30/16/85/1136301685.db2.gz GUBWRNFVSLVPKL-QXRTWZOPSA-N 0 3 342.439 3.663 20 30 EHEDHN CC(C)(NC[C@@H]1CN(C2CCCCC2)C(=O)O1)c1cccc(C#N)c1 ZINC000852353953 1136451543 /nfs/dbraw/zinc/45/15/43/1136451543.db2.gz SUCDNIZVYSBCKT-GOSISDBHSA-N 0 3 341.455 3.536 20 30 EHEDHN N#CCSc1ccccc1NC(=O)CN1CCC[C@@H]1C1CCCC1 ZINC000173238703 1136476672 /nfs/dbraw/zinc/47/66/72/1136476672.db2.gz ONVNAFBBDMBVNS-QGZVFWFLSA-N 0 3 343.496 3.895 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)C(=O)Nc1cccc(C#N)c1 ZINC000852781603 1136486589 /nfs/dbraw/zinc/48/65/89/1136486589.db2.gz MNOPSYNOOBLKLJ-HUUCEWRRSA-N 0 3 349.434 3.561 20 30 EHEDHN C=CCOCCN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000815104369 1136556775 /nfs/dbraw/zinc/55/67/75/1136556775.db2.gz IXTBUPLXVFBLGL-UHFFFAOYSA-N 0 3 337.463 3.840 20 30 EHEDHN C[C@H](NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000776746907 1136624241 /nfs/dbraw/zinc/62/42/41/1136624241.db2.gz TZFZZELOGZSVAC-MGPLVRAMSA-N 0 3 336.769 3.874 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000113323245 1136696966 /nfs/dbraw/zinc/69/69/66/1136696966.db2.gz JQIDEFWOSZBJDT-UHFFFAOYSA-N 0 3 349.478 3.764 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(OC)cc2)ccc1OC ZINC000113348253 1136697425 /nfs/dbraw/zinc/69/74/25/1136697425.db2.gz HXCFURXDFLUCAW-QGZVFWFLSA-N 0 3 340.423 3.675 20 30 EHEDHN CCOC(=O)N1CCC[C@H]([C@@H](C)NCc2ccc(Cl)cc2C#N)C1 ZINC000776823065 1136708652 /nfs/dbraw/zinc/70/86/52/1136708652.db2.gz LMFLOSUHQQABSY-HIFRSBDPSA-N 0 3 349.862 3.558 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCC2)c1 ZINC000114617884 1136813711 /nfs/dbraw/zinc/81/37/11/1136813711.db2.gz CKSQJOWJLYZUKF-GUYCJALGSA-N 0 3 328.412 3.559 20 30 EHEDHN C=C1CC(C)(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)C1 ZINC001136037925 1136842389 /nfs/dbraw/zinc/84/23/89/1136842389.db2.gz VONICTCYUYEFED-SFHVURJKSA-N 0 3 330.472 3.551 20 30 EHEDHN N#Cc1ccc([C@H](O)CN[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000819209897 1136925061 /nfs/dbraw/zinc/92/50/61/1136925061.db2.gz NMQBHJGQGMRTOV-ZWKOTPCHSA-N 0 3 342.826 3.749 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(OC)c(OC3CC3)c2)cc1 ZINC000858172286 1136946512 /nfs/dbraw/zinc/94/65/12/1136946512.db2.gz PQTTVPMTUSFWCJ-UHFFFAOYSA-N 0 3 337.419 3.538 20 30 EHEDHN Cc1nc(Cl)ccc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000821621138 1137034008 /nfs/dbraw/zinc/03/40/08/1137034008.db2.gz IDPVRNXFKMYCLD-LBPRGKRZSA-N 0 3 325.755 3.604 20 30 EHEDHN C[C@@H]1C[C@H](CN2CCC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000824147187 1137126131 /nfs/dbraw/zinc/12/61/31/1137126131.db2.gz IDYBOBZVCPAHIO-GPMSIDNRSA-N 0 3 335.492 3.648 20 30 EHEDHN CC(C)(C)OC(=O)C[C@@H]1CCCCN1Cc1ccc(OCC#N)cc1 ZINC000844424101 1137219717 /nfs/dbraw/zinc/21/97/17/1137219717.db2.gz CHENBBDEXUQFMF-KRWDZBQOSA-N 0 3 344.455 3.675 20 30 EHEDHN CCO[C@@H]1CCCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC001171132947 1137233796 /nfs/dbraw/zinc/23/37/96/1137233796.db2.gz HQZCHFRCIUJUSY-IAGOWNOFSA-N 0 3 325.374 3.994 20 30 EHEDHN CC(C)CN1c2ccccc2[C@@H]2CN(Cc3ccc(C#N)cn3)CC[C@@H]21 ZINC001144160550 1137246690 /nfs/dbraw/zinc/24/66/90/1137246690.db2.gz KWEZDBJDNTWMGO-UNMCSNQZSA-N 0 3 346.478 3.787 20 30 EHEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3)CC3(CCC3)C2)CC1 ZINC001144418035 1137288465 /nfs/dbraw/zinc/28/84/65/1137288465.db2.gz QRIBMBXVOASBGY-UHFFFAOYSA-N 0 3 338.495 3.655 20 30 EHEDHN N#Cc1ccc(CNC[C@@H](O)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000772926937 1137299283 /nfs/dbraw/zinc/29/92/83/1137299283.db2.gz IJTPLCUWRAULIV-MRXNPFEDSA-N 0 3 338.304 3.539 20 30 EHEDHN CC(C)(C)OC(=O)N1CCCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000772927195 1137299291 /nfs/dbraw/zinc/29/92/91/1137299291.db2.gz LELGHVNNSVAFSJ-INIZCTEOSA-N 0 3 347.434 3.577 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000865731448 1137307698 /nfs/dbraw/zinc/30/76/98/1137307698.db2.gz OBGCNRTWHUYQTI-OLZOCXBDSA-N 0 3 337.379 3.675 20 30 EHEDHN C#Cc1ccc(CN2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001144568567 1137311261 /nfs/dbraw/zinc/31/12/61/1137311261.db2.gz YLHPNUSBCZBSJA-GOSISDBHSA-N 0 3 328.456 3.547 20 30 EHEDHN C#Cc1ccc(CN2CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001144568010 1137311440 /nfs/dbraw/zinc/31/14/40/1137311440.db2.gz HYKOJUBVLFIIMO-OAQYLSRUSA-N 0 3 340.467 3.643 20 30 EHEDHN C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846010706 1137325347 /nfs/dbraw/zinc/32/53/47/1137325347.db2.gz NBQJVFMLXCSNFH-JKSUJKDBSA-N 0 3 335.492 3.838 20 30 EHEDHN C#Cc1ccc(CN2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)cc1 ZINC000846054097 1137331090 /nfs/dbraw/zinc/33/10/90/1137331090.db2.gz CKXLLNMEUJAALL-DNVCBOLYSA-N 0 3 335.451 3.629 20 30 EHEDHN C=CCOC[C@@H]1CCC[C@@]12CN(Cc1cccc3cc[nH]c31)CCO2 ZINC001144713273 1137333557 /nfs/dbraw/zinc/33/35/57/1137333557.db2.gz NUVLIQZTOFAHAI-PZJWPPBQSA-N 0 3 340.467 3.742 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001171230369 1137355789 /nfs/dbraw/zinc/35/57/89/1137355789.db2.gz VAHWUVLFDDJFKU-MOPGFXCFSA-N 0 3 333.479 3.696 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@@H](C)c2ccccc2)cc1C ZINC000121209881 1137376552 /nfs/dbraw/zinc/37/65/52/1137376552.db2.gz VIHFPEFMZILPNV-SFHVURJKSA-N 0 3 335.451 3.901 20 30 EHEDHN N#Cc1ccc(C2(NC[C@H](O)c3c(F)cccc3F)CCC2)cc1 ZINC000847053649 1137384439 /nfs/dbraw/zinc/38/44/39/1137384439.db2.gz OBNCUZPMHOTCGH-KRWDZBQOSA-N 0 3 328.362 3.539 20 30 EHEDHN CN1CCCC[C@H]1c1ccc(NCCOc2ccc(C#N)cc2)nc1 ZINC001171485123 1137491121 /nfs/dbraw/zinc/49/11/21/1137491121.db2.gz BVWWDIWAQGKMPF-IBGZPJMESA-N 0 3 336.439 3.601 20 30 EHEDHN N#Cc1ccccc1OC1CCN([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171807102 1137513803 /nfs/dbraw/zinc/51/38/03/1137513803.db2.gz PMORLWGNEASICC-KRWDZBQOSA-N 0 3 336.410 3.708 20 30 EHEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001171847774 1137515714 /nfs/dbraw/zinc/51/57/14/1137515714.db2.gz SAVHEKNUJBXVFM-HUUCEWRRSA-N 0 3 336.426 3.772 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)NCC(=O)c1ccc(C(F)(F)F)cc1 ZINC001172301789 1137545119 /nfs/dbraw/zinc/54/51/19/1137545119.db2.gz WRKWNILQHSBNJQ-CYBMUJFWSA-N 0 3 346.352 3.981 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001172305421 1137545286 /nfs/dbraw/zinc/54/52/86/1137545286.db2.gz DJBCVQHYJCUBAI-KDOFPFPSSA-N 0 3 342.389 3.921 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC001172319110 1137546984 /nfs/dbraw/zinc/54/69/84/1137546984.db2.gz LIGWCQJARCMNFK-MOPGFXCFSA-N 0 3 333.479 3.868 20 30 EHEDHN C[C@@H](NCCOC(F)(F)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000872110425 1137571789 /nfs/dbraw/zinc/57/17/89/1137571789.db2.gz HXWKKRZYFSUFGL-MRVPVSSYSA-N 0 3 326.240 3.520 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000876558848 1137655622 /nfs/dbraw/zinc/65/56/22/1137655622.db2.gz TVBBSYJBCRRZOU-KRTXAFLBSA-N 0 3 339.625 3.780 20 30 EHEDHN Cc1cc(F)c(C#N)cc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000874904167 1137625893 /nfs/dbraw/zinc/62/58/93/1137625893.db2.gz ZNDADAKYJYYITE-RYUDHWBXSA-N 0 3 344.308 3.692 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000876585154 1137656256 /nfs/dbraw/zinc/65/62/56/1137656256.db2.gz BDGNYTUCXGWIPN-CQSZACIVSA-N 0 3 346.780 3.666 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000876589942 1137656431 /nfs/dbraw/zinc/65/64/31/1137656431.db2.gz QXXPRMBXBYYKPT-ZANVPECISA-N 0 3 335.662 3.983 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000876607580 1137656976 /nfs/dbraw/zinc/65/69/76/1137656976.db2.gz XHMMHZHUHVGNKL-NHYWBVRUSA-N 0 3 327.255 3.862 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000876697281 1137659327 /nfs/dbraw/zinc/65/93/27/1137659327.db2.gz RMIUTAUWORWART-QMTHXVAHSA-N 0 3 348.796 3.785 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1cccc(-c2ccncc2)c1 ZINC000876886510 1137664567 /nfs/dbraw/zinc/66/45/67/1137664567.db2.gz YITKJWQPZFRRJR-SFHVURJKSA-N 0 3 343.858 3.567 20 30 EHEDHN COc1ccccc1CC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877011959 1137667516 /nfs/dbraw/zinc/66/75/16/1137667516.db2.gz KYYMKOYUGLDELK-UHFFFAOYSA-N 0 3 329.831 3.726 20 30 EHEDHN CCC[C@H](NCc1cc(C#N)cnc1Cl)[C@H](O)c1ccccc1 ZINC000877488638 1137678248 /nfs/dbraw/zinc/67/82/48/1137678248.db2.gz HRCOATRMSJRNPB-DLBZAZTESA-N 0 3 329.831 3.599 20 30 EHEDHN CC(C)Cn1cc([C@H]2N(C[C@@H](C)CCC#N)CC23CCOCC3)cn1 ZINC000877632603 1137683821 /nfs/dbraw/zinc/68/38/21/1137683821.db2.gz GUPWWWNMBXXBLK-PKOBYXMFSA-N 0 3 344.503 3.632 20 30 EHEDHN CCOc1ccc([C@@H](O)C2CCN(CC3(CC#N)CC3)CC2)cc1 ZINC000878634535 1137723237 /nfs/dbraw/zinc/72/32/37/1137723237.db2.gz JQLKSOBBRIBWMQ-LJQANCHMSA-N 0 3 328.456 3.525 20 30 EHEDHN CC(C)c1cc([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000879918972 1137762418 /nfs/dbraw/zinc/76/24/18/1137762418.db2.gz KZFMOUXSWVARLI-HNNXBMFYSA-N 0 3 326.419 3.923 20 30 EHEDHN CC(C)c1cc([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC000879918972 1137762419 /nfs/dbraw/zinc/76/24/19/1137762419.db2.gz KZFMOUXSWVARLI-HNNXBMFYSA-N 0 3 326.419 3.923 20 30 EHEDHN N#CCC[C@H](C#N)CN1CCC[C@@H](c2cc(-c3ccccc3)[nH]n2)C1 ZINC000880275679 1137772914 /nfs/dbraw/zinc/77/29/14/1137772914.db2.gz UBODHGIGCCQCEF-SJLPKXTDSA-N 0 3 333.439 3.700 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2cccc(C)c2)c([O-])c1 ZINC000128467033 1137780157 /nfs/dbraw/zinc/78/01/57/1137780157.db2.gz RWDREAUYAKFWFZ-TTYLXTBDSA-N 0 3 326.440 3.699 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2ccc(C)cc2)CC1 ZINC000106275801 1137883181 /nfs/dbraw/zinc/88/31/81/1137883181.db2.gz RNTUQHNVGRWNER-QGZVFWFLSA-N 0 3 329.488 3.738 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(F)cc2)C2CC2)CC1 ZINC000106341199 1137883268 /nfs/dbraw/zinc/88/32/68/1137883268.db2.gz WIFWXDJZHYNEEC-UHFFFAOYSA-N 0 3 345.462 3.540 20 30 EHEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc3oc4ccccc4c3c1)C2 ZINC000884046706 1137898669 /nfs/dbraw/zinc/89/86/69/1137898669.db2.gz OCBMFKOPOVTZBY-GJGORFQUSA-N 0 3 345.402 3.664 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](c3ccccc3)C[C@H]2C)CC1 ZINC000115678841 1137922922 /nfs/dbraw/zinc/92/29/22/1137922922.db2.gz SOTVYXSCPPTRKD-IEBWSBKVSA-N 0 3 341.499 3.615 20 30 EHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cnn(Cc2ccccc2)c1 ZINC000348342187 1137983660 /nfs/dbraw/zinc/98/36/60/1137983660.db2.gz LCAYDBSBVPMZAY-QGZVFWFLSA-N 0 3 330.435 3.848 20 30 EHEDHN O=C1C=C2CN(Cc3ccc4cccc(Cl)c4n3)CCC2S1 ZINC001137221661 1138024868 /nfs/dbraw/zinc/02/48/68/1138024868.db2.gz XBXBCTPKCJYOBY-HNNXBMFYSA-N 0 3 330.840 3.662 20 30 EHEDHN C[C@H](NC(C)(C)c1cccs1)C(=O)N(CCC#N)c1ccccc1 ZINC000348359665 1138036022 /nfs/dbraw/zinc/03/60/22/1138036022.db2.gz UCFWGKBZNRREDM-HNNXBMFYSA-N 0 3 341.480 3.908 20 30 EHEDHN N#CC1(C[C@H](O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)CCC1 ZINC000886109031 1138047506 /nfs/dbraw/zinc/04/75/06/1138047506.db2.gz AMSKFXZCMXONML-LSDHHAIUSA-N 0 3 344.352 3.854 20 30 EHEDHN C#CCN(C(=O)c1cc2c(cccc2Cl)s1)C1CCN(C)CC1 ZINC000886587157 1138099716 /nfs/dbraw/zinc/09/97/16/1138099716.db2.gz JBLRYILFXKWMNH-UHFFFAOYSA-N 0 3 346.883 3.724 20 30 EHEDHN C#CCN(C(=O)c1oc2ccc(Cl)cc2c1C)C1CCN(C)CC1 ZINC000886587425 1138100067 /nfs/dbraw/zinc/10/00/67/1138100067.db2.gz VVFQNSOPBLNECO-UHFFFAOYSA-N 0 3 344.842 3.564 20 30 EHEDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OCCCC#N ZINC000091974624 1138223383 /nfs/dbraw/zinc/22/33/83/1138223383.db2.gz BIJDBCMQYRTPGX-UHFFFAOYSA-N 0 3 340.423 3.715 20 30 EHEDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OCCCC#N ZINC000091974624 1138223385 /nfs/dbraw/zinc/22/33/85/1138223385.db2.gz BIJDBCMQYRTPGX-UHFFFAOYSA-N 0 3 340.423 3.715 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2ccc(C)cc2C)CC1 ZINC000264349081 1138483886 /nfs/dbraw/zinc/48/38/86/1138483886.db2.gz LFKUDQNNLZQHPH-QGZVFWFLSA-N 0 3 329.488 3.656 20 30 EHEDHN CCOc1ccc2c(c1)CCN(CCCC1(C#N)CCOCC1)C2 ZINC000337168914 1138484410 /nfs/dbraw/zinc/48/44/10/1138484410.db2.gz BWPVTKIKSQSYPW-UHFFFAOYSA-N 0 3 328.456 3.544 20 30 EHEDHN CC(C)[C@H](C)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000264452535 1138520668 /nfs/dbraw/zinc/52/06/68/1138520668.db2.gz IIZHLHBSZUCBFJ-CABCVRRESA-N 0 3 333.501 3.996 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000175417197 1139488974 /nfs/dbraw/zinc/48/89/74/1139488974.db2.gz ZSQACRWUMWWANL-PXNSSMCTSA-N 0 3 341.499 3.615 20 30 EHEDHN N#Cc1cc(CNC2(c3ccc(F)cc3)CCOCC2)ccc1F ZINC000176875590 1139584115 /nfs/dbraw/zinc/58/41/15/1139584115.db2.gz UGSSDWUEMBVNJL-UHFFFAOYSA-N 0 3 328.362 3.632 20 30 EHEDHN CN(C)Cc1cccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000178639401 1139709153 /nfs/dbraw/zinc/70/91/53/1139709153.db2.gz DFITUFZZPQLLCT-IBGZPJMESA-N 0 3 336.439 3.915 20 30 EHEDHN C=CCCCC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000178813529 1139719280 /nfs/dbraw/zinc/71/92/80/1139719280.db2.gz ONIIAVLDEUVCHK-SFHVURJKSA-N 0 3 338.455 3.625 20 30 EHEDHN CCN1CCN(c2ccccc2N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000179773929 1139781405 /nfs/dbraw/zinc/78/14/05/1139781405.db2.gz GLMUUKKHOIHBJP-KRWDZBQOSA-N 0 3 334.467 3.873 20 30 EHEDHN CN(C)[C@H](CNCc1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000184533732 1140108029 /nfs/dbraw/zinc/10/80/29/1140108029.db2.gz PBEYBIZAOJPOBK-MRXNPFEDSA-N 0 3 337.345 3.563 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000187710487 1140268524 /nfs/dbraw/zinc/26/85/24/1140268524.db2.gz YKZVTKBCDNIUJO-UZLBHIALSA-N 0 3 328.456 3.669 20 30 EHEDHN CC(C)N(CC(=O)Nc1ccccc1SCC#N)CC1CCC1 ZINC000193204130 1140567085 /nfs/dbraw/zinc/56/70/85/1140567085.db2.gz OFWAKLZXWGIRLW-UHFFFAOYSA-N 0 3 331.485 3.751 20 30 EHEDHN COc1ccc([C@H](CO)N(C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000269018979 1141048045 /nfs/dbraw/zinc/04/80/45/1141048045.db2.gz YCPNIMKZYNXILB-FQEVSTJZSA-N 0 3 338.451 3.662 20 30 EHEDHN N#Cc1csc(CNCC[C@@H](c2ccccc2)C(F)(F)F)n1 ZINC000339425479 1014401428 /nfs/dbraw/zinc/40/14/28/1014401428.db2.gz UYAMLCUVIIHNRO-ZDUSSCGKSA-N 0 3 325.359 3.841 20 30 EHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000339428075 1014411629 /nfs/dbraw/zinc/41/16/29/1014411629.db2.gz JCHDEDYGUINLMS-HNNXBMFYSA-N 0 3 334.398 3.928 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3c2OC(C)(C)C3)CC1 ZINC000530449458 1014510822 /nfs/dbraw/zinc/51/08/22/1014510822.db2.gz AZXSTMXPHWYUFL-UHFFFAOYSA-N 0 3 343.471 3.562 20 30 EHEDHN COCCc1nc(C)c([C@@H](C)N[C@H](C)c2cccc(C#N)c2)s1 ZINC000092765993 1015143185 /nfs/dbraw/zinc/14/31/85/1015143185.db2.gz CZIFJGVFOPXZFQ-CHWSQXEVSA-N 0 3 329.469 3.924 20 30 EHEDHN N#CC(C(=O)C=Cc1cccnc1)c1nc2ccccc2n1C(F)F ZINC000254950495 1015219407 /nfs/dbraw/zinc/21/94/07/1015219407.db2.gz GMKNRYGFQWLBCA-MEJMFZKBSA-N 0 3 338.317 3.716 20 30 EHEDHN N#CCc1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000343738411 1032123685 /nfs/dbraw/zinc/12/36/85/1032123685.db2.gz DZEJACGDKBFEBK-MRXNPFEDSA-N 0 3 348.372 3.805 20 30 EHEDHN Cc1cccc(NC(=O)[C@@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000189051176 1016429897 /nfs/dbraw/zinc/42/98/97/1016429897.db2.gz DPQILNSEDOTTCZ-QFBILLFUSA-N 0 3 348.450 3.673 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000189243752 1016497659 /nfs/dbraw/zinc/49/76/59/1016497659.db2.gz RQNPCDYGYHPHMS-IAGOWNOFSA-N 0 3 339.483 3.590 20 30 EHEDHN C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(C2CC2)cc1 ZINC000557287788 1017067556 /nfs/dbraw/zinc/06/75/56/1017067556.db2.gz FKPRJGIZTSOIQB-HNNXBMFYSA-N 0 3 325.456 3.557 20 30 EHEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cc(CO)ccc1F ZINC000528361676 1032173790 /nfs/dbraw/zinc/17/37/90/1032173790.db2.gz ASAAVOLJYHZWID-UHFFFAOYSA-N 0 3 326.415 3.848 20 30 EHEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCCCC[C@@H]1c1ccco1 ZINC000528391394 1032215075 /nfs/dbraw/zinc/21/50/75/1032215075.db2.gz ZCUHZQYWPWUUCB-ZWKOTPCHSA-N 0 3 340.423 3.508 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC2(CC1)OCCc1ccccc12 ZINC000459529168 1032249438 /nfs/dbraw/zinc/24/94/38/1032249438.db2.gz RJHLEOIFTYZPIR-UHFFFAOYSA-N 0 3 348.446 3.631 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000537077675 1032508078 /nfs/dbraw/zinc/50/80/78/1032508078.db2.gz BSXWTSQHSRZYCR-QFIPXVFZSA-N 0 3 349.478 3.942 20 30 EHEDHN N#Cc1ccc(CNCCNc2ncc(Cl)cc2Cl)s1 ZINC000176798179 1017468772 /nfs/dbraw/zinc/46/87/72/1017468772.db2.gz HRVXIEHRGVELSR-UHFFFAOYSA-N 0 3 327.240 3.523 20 30 EHEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000728711442 1018326966 /nfs/dbraw/zinc/32/69/66/1018326966.db2.gz FBVLXKDZPWBHDR-LSDHHAIUSA-N 0 3 349.434 3.713 20 30 EHEDHN Cc1ccc(C(=O)C2CCN(CCCSCC#N)CC2)c(C)c1 ZINC000610409530 1018920905 /nfs/dbraw/zinc/92/09/05/1018920905.db2.gz GCPSSBURSGRTKO-UHFFFAOYSA-N 0 3 330.497 3.845 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000614403125 1018977219 /nfs/dbraw/zinc/97/72/19/1018977219.db2.gz FTDJHVJWEFHDLA-UHFFFAOYSA-N 0 3 346.430 3.927 20 30 EHEDHN CCCCNC(=O)C1(NCc2ccc(C#N)cc2C)CCCCC1 ZINC000614403529 1018983899 /nfs/dbraw/zinc/98/38/99/1018983899.db2.gz GFQCCMWSGRCTOP-UHFFFAOYSA-N 0 3 327.472 3.576 20 30 EHEDHN C[C@@H](c1ccco1)N(CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000119129403 1019435551 /nfs/dbraw/zinc/43/55/51/1019435551.db2.gz JJZHZGCZFFKZEY-LBPRGKRZSA-N 0 3 329.425 3.767 20 30 EHEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000155759302 1019479000 /nfs/dbraw/zinc/47/90/00/1019479000.db2.gz IDWPPKYBHRZUEJ-AWEZNQCLSA-N 0 3 327.409 3.715 20 30 EHEDHN C[C@H](N[C@@H]1CC(C)(C)CCc2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000580517175 1019537290 /nfs/dbraw/zinc/53/72/90/1019537290.db2.gz PEINPFLNYHADMT-MAUKXSAKSA-N 0 3 339.483 3.631 20 30 EHEDHN Fc1ccc(C#CCN2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000580968377 1020317372 /nfs/dbraw/zinc/31/73/72/1020317372.db2.gz OKQRWVKEAWRIML-LJQANCHMSA-N 0 3 333.410 3.692 20 30 EHEDHN CCN(Cc1ccc2oc(=O)n(C)c2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602443750 1032891694 /nfs/dbraw/zinc/89/16/94/1032891694.db2.gz LCKWLYKHKZCANS-AWEZNQCLSA-N 0 3 335.407 3.586 20 30 EHEDHN CC(C)Cc1ccc(CC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000050682004 1020372733 /nfs/dbraw/zinc/37/27/33/1020372733.db2.gz NGJHNPGDZGEYMH-LJQANCHMSA-N 0 3 340.467 3.585 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(CSCC)cc2)CC1 ZINC000455859809 1032955211 /nfs/dbraw/zinc/95/52/11/1032955211.db2.gz LUOPIVHNVLIODF-UHFFFAOYSA-N 0 3 333.501 3.712 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2nc3c(s2)CCC3(C)C)CC1 ZINC000581660571 1021369176 /nfs/dbraw/zinc/36/91/76/1021369176.db2.gz WPBKOCZYMWFGIO-UHFFFAOYSA-N 0 3 348.516 3.529 20 30 EHEDHN Cc1ccc([C@H](C)N[C@@H](C)CC2(C#N)CCOCC2)cc1[N+](=O)[O-] ZINC000602561847 1032976148 /nfs/dbraw/zinc/97/61/48/1032976148.db2.gz HAKNFQIEJHHBKF-GJZGRUSLSA-N 0 3 331.416 3.653 20 30 EHEDHN COC(=O)C[C@H](NCc1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000439434337 1021434933 /nfs/dbraw/zinc/43/49/33/1021434933.db2.gz BINFVGVWEQTOCP-KRWDZBQOSA-N 0 3 334.847 3.813 20 30 EHEDHN N#Cc1csc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000337382121 1021472511 /nfs/dbraw/zinc/47/25/11/1021472511.db2.gz JPQFQEIUGNLRRH-HNNXBMFYSA-N 0 3 326.469 3.532 20 30 EHEDHN CC(C)[C@H](NC1CCC(C#N)CC1)c1nc(-c2cccnc2)no1 ZINC000602591711 1032990989 /nfs/dbraw/zinc/99/09/89/1032990989.db2.gz CEGJDVRRWWEHDQ-BCLQGDPASA-N 0 3 325.416 3.501 20 30 EHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000518936991 1021690971 /nfs/dbraw/zinc/69/09/71/1021690971.db2.gz TVNIWBYQRBGORI-WOJBJXKFSA-N 0 3 346.434 3.593 20 30 EHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000518936989 1021691420 /nfs/dbraw/zinc/69/14/20/1021691420.db2.gz TVNIWBYQRBGORI-UXHICEINSA-N 0 3 346.434 3.593 20 30 EHEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000518936988 1021691676 /nfs/dbraw/zinc/69/16/76/1021691676.db2.gz TVNIWBYQRBGORI-PMACEKPBSA-N 0 3 346.434 3.593 20 30 EHEDHN C=CCCC1(C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC1 ZINC000581831343 1021847103 /nfs/dbraw/zinc/84/71/03/1021847103.db2.gz UVANKJYIESJQDI-UHFFFAOYSA-N 0 3 335.451 3.630 20 30 EHEDHN N#CCCN(C(=O)CN(C1CC1)C1CCCCC1)c1ccccc1 ZINC000047904454 1021907196 /nfs/dbraw/zinc/90/71/96/1021907196.db2.gz CFLPHBPFRHBGLK-UHFFFAOYSA-N 0 3 325.456 3.730 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441207580 1022064899 /nfs/dbraw/zinc/06/48/99/1022064899.db2.gz NFTPXHYGUZNBEV-IRXDYDNUSA-N 0 3 337.385 3.805 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000517321186 1022241708 /nfs/dbraw/zinc/24/17/08/1022241708.db2.gz ZOUQHHVZRFTNEX-GOSISDBHSA-N 0 3 347.890 3.667 20 30 EHEDHN COc1cc(CN(C)CCOc2ccc(C#N)cc2)ccc1SC ZINC000476208502 1033047727 /nfs/dbraw/zinc/04/77/27/1033047727.db2.gz JZGZIRHHXQNCPW-UHFFFAOYSA-N 0 3 342.464 3.800 20 30 EHEDHN CN(C)Cc1ccc(NC(=O)CCCCC#N)cc1C(F)(F)F ZINC000894986246 1022359469 /nfs/dbraw/zinc/35/94/69/1022359469.db2.gz UHCNICCNTNLMLG-UHFFFAOYSA-N 0 3 327.350 3.789 20 30 EHEDHN COC(=O)c1cc(CN[C@H](CCCC#N)c2ccccc2)[nH]c1C ZINC000602670892 1033050239 /nfs/dbraw/zinc/05/02/39/1033050239.db2.gz ROIUNRMEPMEPQQ-GOSISDBHSA-N 0 3 325.412 3.635 20 30 EHEDHN COc1ccccc1[C@H](CNc1cc(C#N)ccn1)N1CCCCC1 ZINC000341582966 1022393631 /nfs/dbraw/zinc/39/36/31/1022393631.db2.gz HEQJYTIQWMWBLZ-SFHVURJKSA-N 0 3 336.439 3.601 20 30 EHEDHN C=CCCCN(C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458894496 1022445888 /nfs/dbraw/zinc/44/58/88/1022445888.db2.gz NBDHXCHKCFOWGB-QGZVFWFLSA-N 0 3 335.517 3.619 20 30 EHEDHN C[C@@H](Oc1cccnc1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000328650824 1022453263 /nfs/dbraw/zinc/45/32/63/1022453263.db2.gz BDJVFHSZUXPMSH-QGZVFWFLSA-N 0 3 345.487 3.852 20 30 EHEDHN C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1C ZINC000517593631 1022467487 /nfs/dbraw/zinc/46/74/87/1022467487.db2.gz KIOQGLBGSKWWCB-STQMWFEESA-N 0 3 331.485 3.557 20 30 EHEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1C ZINC000330633848 1022635837 /nfs/dbraw/zinc/63/58/37/1022635837.db2.gz AUNKGXXNYUZSJV-IRXDYDNUSA-N 0 3 327.472 3.685 20 30 EHEDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC(CC#N)CC1 ZINC000517773293 1022656389 /nfs/dbraw/zinc/65/63/89/1022656389.db2.gz ZLBYDJFRIXPTRZ-UHFFFAOYSA-N 0 3 336.483 3.982 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000126515844 1022813277 /nfs/dbraw/zinc/81/32/77/1022813277.db2.gz HSCJCQMDOKSEAW-ZWKOTPCHSA-N 0 3 341.499 3.527 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](CC(C)C)c1ccccc1C ZINC000341681015 1022989598 /nfs/dbraw/zinc/98/95/98/1022989598.db2.gz GDXALNXSOONYBF-APWZRJJASA-N 0 3 329.488 3.680 20 30 EHEDHN C[C@@H](c1ccccc1)N(CC(=O)NC1(C#N)CCC1)C1CCCC1 ZINC000519595829 1023207299 /nfs/dbraw/zinc/20/72/99/1023207299.db2.gz JUWGMNPKHHCZEY-INIZCTEOSA-N 0 3 325.456 3.555 20 30 EHEDHN COCCOc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341758646 1023270267 /nfs/dbraw/zinc/27/02/67/1023270267.db2.gz AMJWOHBLYVILSE-NRFANRHFSA-N 0 3 336.435 3.751 20 30 EHEDHN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000341761513 1023278238 /nfs/dbraw/zinc/27/82/38/1023278238.db2.gz PJUIZFSDQBIQLH-KRWDZBQOSA-N 0 3 337.379 3.642 20 30 EHEDHN C=CCOc1ccc(CN(Cc2ccccc2)C[C@H](C)O)cc1OC ZINC000535805445 1023657582 /nfs/dbraw/zinc/65/75/82/1023657582.db2.gz MRSSVSLLZGBDCC-KRWDZBQOSA-N 0 3 341.451 3.643 20 30 EHEDHN C=CCC[C@@H](NCC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000341923846 1023700325 /nfs/dbraw/zinc/70/03/25/1023700325.db2.gz DQWIFUZMKDHYJK-OAQYLSRUSA-N 0 3 334.463 3.868 20 30 EHEDHN C=CCC[C@@H](NCc1cc(=O)n2c(C)cccc2n1)c1ccccc1 ZINC000341951997 1023717924 /nfs/dbraw/zinc/71/79/24/1023717924.db2.gz ZPPUJJUWAAHMTR-LJQANCHMSA-N 0 3 333.435 3.800 20 30 EHEDHN COC(=O)c1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1F ZINC000610871175 1023821423 /nfs/dbraw/zinc/82/14/23/1023821423.db2.gz PKLCJWPUMUVUQK-OAHLLOKOSA-N 0 3 348.333 3.651 20 30 EHEDHN COC(=O)c1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)cc1F ZINC000610871175 1023821428 /nfs/dbraw/zinc/82/14/28/1023821428.db2.gz PKLCJWPUMUVUQK-OAHLLOKOSA-N 0 3 348.333 3.651 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)CC1 ZINC000458337670 1023961853 /nfs/dbraw/zinc/96/18/53/1023961853.db2.gz RJSUDLUTGSEOEH-SFHVURJKSA-N 0 3 333.520 3.637 20 30 EHEDHN Cc1nc(C)c(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)s1 ZINC000329646626 1023975368 /nfs/dbraw/zinc/97/53/68/1023975368.db2.gz ZVZPHJYBLLHLBD-BLLLJJGKSA-N 0 3 344.484 3.606 20 30 EHEDHN N#Cc1cc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)ccn1 ZINC000610992537 1023987622 /nfs/dbraw/zinc/98/76/22/1023987622.db2.gz ONVWSXVNURKWML-UHFFFAOYSA-N 0 3 333.435 3.833 20 30 EHEDHN CC(C)(C)n1nc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1C1CC1 ZINC000329935279 1024255340 /nfs/dbraw/zinc/25/53/40/1024255340.db2.gz CLKZVJXKJHJEJL-MRXNPFEDSA-N 0 3 344.503 3.837 20 30 EHEDHN CC(C)(C)n1nc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1C1CC1 ZINC000329935278 1024256562 /nfs/dbraw/zinc/25/65/62/1024256562.db2.gz CLKZVJXKJHJEJL-INIZCTEOSA-N 0 3 344.503 3.837 20 30 EHEDHN O=C(CCC(=O)c1ccc(Cl)cn1)NC1CC(N2CCCCC2)C1 ZINC000330072497 1024309572 /nfs/dbraw/zinc/30/95/72/1024309572.db2.gz ZBXHEXPJDACHES-UHFFFAOYSA-N 0 3 349.862 3.671 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000443660961 1024374400 /nfs/dbraw/zinc/37/44/00/1024374400.db2.gz ZTIZTHVWFDAIIR-IKGGRYGDSA-N 0 3 345.462 3.829 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000280961962 1024495030 /nfs/dbraw/zinc/49/50/30/1024495030.db2.gz ZAPJTUFGWRKLOV-DBVUQKKJSA-N 0 3 326.415 3.881 20 30 EHEDHN N#CC(C(=O)c1ccc2c(c1)CCCC2=O)c1cnc2ccccc2n1 ZINC000346245262 1024560785 /nfs/dbraw/zinc/56/07/85/1024560785.db2.gz RYSGAIVKAWZSBI-INIZCTEOSA-N 0 3 341.370 3.639 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc(OC)c(OCC)c2)cc1 ZINC000114505548 1024612453 /nfs/dbraw/zinc/61/24/53/1024612453.db2.gz XMMTVEGKLNBEOO-UHFFFAOYSA-N 0 3 327.424 3.949 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccccc2OCc2ccncc2)CC1 ZINC000895835415 1024900958 /nfs/dbraw/zinc/90/09/58/1024900958.db2.gz FCHPUEILGAJAHV-UHFFFAOYSA-N 0 3 338.451 3.564 20 30 EHEDHN Cc1csc(CC2(O)CCN(CCC3(C#N)CCCCC3)CC2)n1 ZINC000602893529 1033246659 /nfs/dbraw/zinc/24/66/59/1033246659.db2.gz PXWTVUPSZFOPOO-UHFFFAOYSA-N 0 3 347.528 3.685 20 30 EHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000895960715 1025001434 /nfs/dbraw/zinc/00/14/34/1025001434.db2.gz HNZCGYWNXUSVRP-HOTGVXAUSA-N 0 3 342.487 3.532 20 30 EHEDHN Cc1cccc(CN(CC(=O)NCc2ccc(C#N)cc2)CC(C)C)c1 ZINC000521195759 1025268685 /nfs/dbraw/zinc/26/86/85/1025268685.db2.gz RKKHMNPJPQXZDT-UHFFFAOYSA-N 0 3 349.478 3.641 20 30 EHEDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccco1 ZINC000166089902 1025292085 /nfs/dbraw/zinc/29/20/85/1025292085.db2.gz XOAXFWDKBQBFTC-MRXNPFEDSA-N 0 3 328.372 3.554 20 30 EHEDHN Cc1ncc([C@H](C)NCCC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000602954416 1033276831 /nfs/dbraw/zinc/27/68/31/1033276831.db2.gz DLJSVSAAEPQSEK-JTQLQIEISA-N 0 3 348.859 3.656 20 30 EHEDHN N#C[C@H]1CC[C@H](NCc2cccc(NC(=O)c3ccc(F)cc3)c2)C1 ZINC000442720194 1025453058 /nfs/dbraw/zinc/45/30/58/1025453058.db2.gz SPOWBJHUUBRIJA-KSSFIOAISA-N 0 3 337.398 3.860 20 30 EHEDHN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N[C@H]1CCC(C)(C)C1)C2 ZINC000329097360 1025600988 /nfs/dbraw/zinc/60/09/88/1025600988.db2.gz YMMKSANEUUITNM-KBPBESRZSA-N 0 3 332.492 3.578 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000425529472 1025664899 /nfs/dbraw/zinc/66/48/99/1025664899.db2.gz BVSYGQWVMKFAON-CQSZACIVSA-N 0 3 325.368 3.538 20 30 EHEDHN CC(C)c1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)nn1C(C)(C)C ZINC000329343907 1025766527 /nfs/dbraw/zinc/76/65/27/1025766527.db2.gz QJFBNBCJNNASHL-AWEZNQCLSA-N 0 3 332.492 3.717 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000178554865 1025766998 /nfs/dbraw/zinc/76/69/98/1025766998.db2.gz BSFCPJZCJYERAW-LJQANCHMSA-N 0 3 348.450 3.653 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCC2CCCCC2)c1 ZINC000127024425 1025810978 /nfs/dbraw/zinc/81/09/78/1025810978.db2.gz PJJMWDUNIZBQMI-QGZVFWFLSA-N 0 3 328.412 3.703 20 30 EHEDHN O=C(CN[C@H]1c2ccccc2CC12CCOCC2)NC1CCCCC1 ZINC000329528281 1025960521 /nfs/dbraw/zinc/96/05/21/1025960521.db2.gz SOMLORKSXLJQEW-FQEVSTJZSA-N 0 3 342.483 3.959 20 30 EHEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000451475508 1025993015 /nfs/dbraw/zinc/99/30/15/1025993015.db2.gz RYVDPRWUMPMGFI-JKSUJKDBSA-N 0 3 336.382 3.597 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000108932856 1026124682 /nfs/dbraw/zinc/12/46/82/1026124682.db2.gz LQHKGCQOZOCRFM-UHFFFAOYSA-N 0 3 332.403 3.870 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC2(CCN2Cc2ccc(C#N)cc2)CC1 ZINC000375707870 1026341304 /nfs/dbraw/zinc/34/13/04/1026341304.db2.gz ZDGIJEAHVOXAEL-UHFFFAOYSA-N 0 3 341.455 3.534 20 30 EHEDHN C[C@@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000475385295 1026545901 /nfs/dbraw/zinc/54/59/01/1026545901.db2.gz FFPJQONRALJDPT-INIZCTEOSA-N 0 3 329.488 3.521 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000192998445 1026660979 /nfs/dbraw/zinc/66/09/79/1026660979.db2.gz QSYBMZFMSRPABQ-CABCVRRESA-N 0 3 338.407 3.772 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277715200 1026666748 /nfs/dbraw/zinc/66/67/48/1026666748.db2.gz IUTHORMZMZMSGF-HOCLYGCPSA-N 0 3 340.389 3.623 20 30 EHEDHN N#Cc1ccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(F)c1 ZINC000366544479 1027374629 /nfs/dbraw/zinc/37/46/29/1027374629.db2.gz SRSOJRFAORHGLG-UHFFFAOYSA-N 0 3 341.352 3.915 20 30 EHEDHN COc1ccc(CN(Cc2cccc(C#N)c2)CC2CC2)c(OC)c1 ZINC000503211394 1027645951 /nfs/dbraw/zinc/64/59/51/1027645951.db2.gz QZDZLXYNQACNTB-UHFFFAOYSA-N 0 3 336.435 3.988 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000533429501 1027864267 /nfs/dbraw/zinc/86/42/67/1027864267.db2.gz CFINZYXPPRBWJR-YTQUADARSA-N 0 3 339.483 3.526 20 30 EHEDHN C=CC(C)(C)CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000455366497 1028071224 /nfs/dbraw/zinc/07/12/24/1028071224.db2.gz MDPSJWKXVLPMDD-QGZVFWFLSA-N 0 3 329.488 3.505 20 30 EHEDHN N#Cc1ccccc1CNc1nc(N2CCOCC2)cc2ccccc21 ZINC001167633702 1028137812 /nfs/dbraw/zinc/13/78/12/1028137812.db2.gz AKZJGQAIGCKJIM-UHFFFAOYSA-N 0 3 344.418 3.555 20 30 EHEDHN C=CC[C@H]1N(C(=O)NC2CCN(CC(=C)C)CC2)CCCC1(C)C ZINC000445090836 1028533500 /nfs/dbraw/zinc/53/35/00/1028533500.db2.gz ZVFJDDXHTYIANA-GOSISDBHSA-N 0 3 333.520 3.803 20 30 EHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CC[C@H](C)C1 ZINC000429591657 1028588405 /nfs/dbraw/zinc/58/84/05/1028588405.db2.gz OPHQOWUZSYWOMM-XHSDSOJGSA-N 0 3 345.512 3.997 20 30 EHEDHN C[C@@H]1CN(Cc2cccc(OCc3ccccc3C#N)c2)CCCO1 ZINC000513755406 1028685514 /nfs/dbraw/zinc/68/55/14/1028685514.db2.gz SHGARJVWCOBCBE-QGZVFWFLSA-N 0 3 336.435 3.748 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000424083930 1028788606 /nfs/dbraw/zinc/78/86/06/1028788606.db2.gz DGTDOYZIMPGHKJ-LSDHHAIUSA-N 0 3 340.254 3.678 20 30 EHEDHN C[C@@H](Nc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1)c1ccccc1 ZINC000424095216 1028797017 /nfs/dbraw/zinc/79/70/17/1028797017.db2.gz AEKXSMNYHGQFKX-BEFAXECRSA-N 0 3 336.439 3.819 20 30 EHEDHN C[C@H](Nc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1)c1ccccc1 ZINC000424095223 1028797302 /nfs/dbraw/zinc/79/73/02/1028797302.db2.gz AEKXSMNYHGQFKX-KXBFYZLASA-N 0 3 336.439 3.819 20 30 EHEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000424135715 1028824922 /nfs/dbraw/zinc/82/49/22/1028824922.db2.gz ZSCDOHLMWRGNHG-WFASDCNBSA-N 0 3 341.377 3.636 20 30 EHEDHN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424194801 1028881557 /nfs/dbraw/zinc/88/15/57/1028881557.db2.gz SHLUOEOEJUHSGP-YGRLFVJLSA-N 0 3 328.243 3.534 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000248447926 1028907521 /nfs/dbraw/zinc/90/75/21/1028907521.db2.gz DIGSRDTXCHLOMW-MGPUTAFESA-N 0 3 340.398 3.770 20 30 EHEDHN N#Cc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000026344890 1029387168 /nfs/dbraw/zinc/38/71/68/1029387168.db2.gz ZOJCGFGJCIPMFE-UHFFFAOYSA-N 0 3 339.870 3.920 20 30 EHEDHN Cc1nc2scc(C3CC3)n2c1CNCc1ccc(CC#N)cc1 ZINC000583262643 1029466710 /nfs/dbraw/zinc/46/67/10/1029466710.db2.gz BZMCWROCBHKZIX-UHFFFAOYSA-N 0 3 336.464 3.938 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(C#N)cc2F)c([O-])c1 ZINC000729819850 1029580704 /nfs/dbraw/zinc/58/07/04/1029580704.db2.gz SHKRUABQKRYFBN-LPYMAVHISA-N 0 3 325.387 3.868 20 30 EHEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC1CCC1 ZINC000533302892 1029605828 /nfs/dbraw/zinc/60/58/28/1029605828.db2.gz CPWIMCGUFZGIDH-ZDUSSCGKSA-N 0 3 345.512 3.948 20 30 EHEDHN CC[C@@H](CN(CC)CC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000481739933 1029897143 /nfs/dbraw/zinc/89/71/43/1029897143.db2.gz URPLRVOVBCVJAC-FXAWDEMLSA-N 0 3 329.488 3.557 20 30 EHEDHN CC[C@H](CN(CC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000481768053 1029933699 /nfs/dbraw/zinc/93/36/99/1029933699.db2.gz PDOBKEPZRRBQOA-WAOWUJCRSA-N 0 3 343.515 3.945 20 30 EHEDHN C=CCC[C@@H](NCC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000089544709 1029937413 /nfs/dbraw/zinc/93/74/13/1029937413.db2.gz DVTYIMRYYAHTLH-GOSISDBHSA-N 0 3 340.492 3.930 20 30 EHEDHN C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1)c1ccc(C#N)cc1 ZINC000453368979 1030186172 /nfs/dbraw/zinc/18/61/72/1030186172.db2.gz NEDJXJQSOUHJMW-PIKADFDJSA-N 0 3 338.455 3.603 20 30 EHEDHN C=CCCCCCN(C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659036999 1030290253 /nfs/dbraw/zinc/29/02/53/1030290253.db2.gz UUYMBHNQHUQUCR-SFHVURJKSA-N 0 3 331.460 3.558 20 30 EHEDHN N#Cc1ccc2ncc(CN3CCCC[C@H]3Cc3ccc(F)cc3)n2c1 ZINC000537637844 1030417849 /nfs/dbraw/zinc/41/78/49/1030417849.db2.gz BGROSIWYGZPGMN-IBGZPJMESA-N 0 3 348.425 3.942 20 30 EHEDHN C[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)c2ccccc21 ZINC000526136056 1030439170 /nfs/dbraw/zinc/43/91/70/1030439170.db2.gz UDXUIFHTUHCNRB-ZDUSSCGKSA-N 0 3 341.842 3.706 20 30 EHEDHN C=C(C)COCCNCc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000482543153 1030524767 /nfs/dbraw/zinc/52/47/67/1030524767.db2.gz JCJAEAPGEMWFQR-UHFFFAOYSA-N 0 3 341.499 3.911 20 30 EHEDHN CCCCO[C@H]1C[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C1(C)C ZINC000537656545 1030895031 /nfs/dbraw/zinc/89/50/31/1030895031.db2.gz IFMXZVXTUROVCT-ROUUACIJSA-N 0 3 340.471 3.622 20 30 EHEDHN N#Cc1ccc(OCCCN2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000729851890 1031014153 /nfs/dbraw/zinc/01/41/53/1031014153.db2.gz DCVPVOACRKRHRR-NRFANRHFSA-N 0 3 336.435 3.791 20 30 EHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(OCc2ccccn2)c1 ZINC000190795510 1031098410 /nfs/dbraw/zinc/09/84/10/1031098410.db2.gz NRIMMCQZKWHAEE-MRXNPFEDSA-N 0 3 346.434 3.722 20 30 EHEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cccnc1OC1CCCC1 ZINC000329599641 1031274424 /nfs/dbraw/zinc/27/44/24/1031274424.db2.gz WURXPZZLOVYSOV-GASCZTMLSA-N 0 3 331.460 3.732 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC3(CCCC3)c3ccccc32)CC1 ZINC000083720967 1031524565 /nfs/dbraw/zinc/52/45/65/1031524565.db2.gz GHBGNSVVZGQXGB-UHFFFAOYSA-N 0 3 339.483 3.678 20 30 EHEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@H](C2CC2)C1 ZINC000329685022 1031786867 /nfs/dbraw/zinc/78/68/67/1031786867.db2.gz ZTDQCVUDISGYAM-ZFWWWQNUSA-N 0 3 330.428 3.556 20 30 EHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000329691466 1031827653 /nfs/dbraw/zinc/82/76/53/1031827653.db2.gz DKNRRXGOEUDYAB-BSDSXHPESA-N 0 3 344.503 3.965 20 30 EHEDHN Cc1cc(NC(=O)CCCCC#N)cc(N2CCN(C(C)C)CC2)c1 ZINC000594351787 1033311524 /nfs/dbraw/zinc/31/15/24/1033311524.db2.gz IUWLJZSNNZUZEN-UHFFFAOYSA-N 0 3 342.487 3.548 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000598604403 1033334196 /nfs/dbraw/zinc/33/41/96/1033334196.db2.gz MZCOGTUTJJMCJK-INIZCTEOSA-N 0 3 334.410 3.745 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000594429448 1033366780 /nfs/dbraw/zinc/36/67/80/1033366780.db2.gz UICBHTWRBNYONG-ZDUSSCGKSA-N 0 3 348.859 3.813 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000594428863 1033366995 /nfs/dbraw/zinc/36/69/95/1033366995.db2.gz PGOWFJBHKZTSTL-IBGZPJMESA-N 0 3 337.423 3.506 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1COc1ccccc1 ZINC000594430065 1033367177 /nfs/dbraw/zinc/36/71/77/1033367177.db2.gz ZPEJZFDWCUDMQD-SFHVURJKSA-N 0 3 337.423 3.615 20 30 EHEDHN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H](N)CCCCC#N ZINC000594432570 1033368211 /nfs/dbraw/zinc/36/82/11/1033368211.db2.gz DEBIRJWDLCKKJE-VQIMIIECSA-N 0 3 327.472 3.788 20 30 EHEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594431563 1033368927 /nfs/dbraw/zinc/36/89/27/1033368927.db2.gz NXDJODSPGIAQSG-QYZOEREBSA-N 0 3 327.472 3.582 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000594431962 1033369027 /nfs/dbraw/zinc/36/90/27/1033369027.db2.gz TYJBQVWGMPSLPO-INIZCTEOSA-N 0 3 341.386 3.968 20 30 EHEDHN CC(C)C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594432526 1033370132 /nfs/dbraw/zinc/37/01/32/1033370132.db2.gz CJGUDPJZUWZCKE-SJORKVTESA-N 0 3 335.879 3.955 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000594433536 1033371725 /nfs/dbraw/zinc/37/17/25/1033371725.db2.gz GOKXDAPWOXOGQG-QFBILLFUSA-N 0 3 338.455 3.633 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000594436248 1033374452 /nfs/dbraw/zinc/37/44/52/1033374452.db2.gz CBCHQPSLKNUQEU-SFHVURJKSA-N 0 3 328.460 3.781 20 30 EHEDHN Cc1cc(CNC(=O)[C@@H](N)CCCCC#N)ccc1-c1ccccc1 ZINC000594437419 1033374834 /nfs/dbraw/zinc/37/48/34/1033374834.db2.gz NLLUYMMBQBDBQU-FQEVSTJZSA-N 0 3 335.451 3.690 20 30 EHEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(-n2cncn2)cc1 ZINC000594512046 1033415960 /nfs/dbraw/zinc/41/59/60/1033415960.db2.gz BCDOTUTVVMSHKA-MRXNPFEDSA-N 0 3 343.434 3.869 20 30 EHEDHN CC(C)[C@H](N)c1cn(Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000603191416 1033429093 /nfs/dbraw/zinc/42/90/93/1033429093.db2.gz QNJGGSPJFNNRBV-FQEVSTJZSA-N 0 3 331.423 3.521 20 30 EHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1 ZINC000129828218 1033445739 /nfs/dbraw/zinc/44/57/39/1033445739.db2.gz SRIIXBMFOGERIH-HOCLYGCPSA-N 0 3 336.391 3.536 20 30 EHEDHN C=CCCNCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000594968638 1033577213 /nfs/dbraw/zinc/57/72/13/1033577213.db2.gz LMGKJGYCYUZZMD-UHFFFAOYSA-N 0 3 342.395 3.848 20 30 EHEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000594936607 1033585334 /nfs/dbraw/zinc/58/53/34/1033585334.db2.gz NHQVNGOFPBZERG-OYLFLEFRSA-N 0 3 338.476 3.830 20 30 EHEDHN COC[C@H](C)Oc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000594937893 1033585855 /nfs/dbraw/zinc/58/58/55/1033585855.db2.gz JOKDAISUBRPXOT-YCRPNKLZSA-N 0 3 336.435 3.749 20 30 EHEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000173959752 1033631224 /nfs/dbraw/zinc/63/12/24/1033631224.db2.gz BBFIISGFNFATKS-PBHICJAKSA-N 0 3 330.428 3.949 20 30 EHEDHN CN1c2ccccc2C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1=O ZINC000595058405 1033636777 /nfs/dbraw/zinc/63/67/77/1033636777.db2.gz BGDOXJXPZDPXDR-UXHICEINSA-N 0 3 345.446 3.503 20 30 EHEDHN Cc1sc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c(C#N)c1C ZINC000593002279 1033791713 /nfs/dbraw/zinc/79/17/13/1033791713.db2.gz AMELYIRUWPQYFT-ZYHUDNBSSA-N 0 3 346.374 3.923 20 30 EHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595603350 1033918534 /nfs/dbraw/zinc/91/85/34/1033918534.db2.gz MKGKGOFHZYENPQ-BBRMVZONSA-N 0 3 342.399 3.869 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H]1CN(CCCSCC#N)Cc2ccccc21 ZINC000595614230 1033923218 /nfs/dbraw/zinc/92/32/18/1033923218.db2.gz JRHWXXHBOVHKCY-QGZVFWFLSA-N 0 3 346.496 3.574 20 30 EHEDHN CC[C@@H](c1ccccc1)N(CC(=O)N(CCC#N)CCC#N)C(C)C ZINC000595859208 1034011843 /nfs/dbraw/zinc/01/18/43/1034011843.db2.gz XOSUMUZRERDOOA-IBGZPJMESA-N 0 3 340.471 3.504 20 30 EHEDHN Cc1cc(NC[C@@H](c2ccco2)N2CCCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596056084 1034057991 /nfs/dbraw/zinc/05/79/91/1034057991.db2.gz WTXSWDUBGUADEM-INIZCTEOSA-N 0 3 340.383 3.617 20 30 EHEDHN N#Cc1ccc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)cc1 ZINC000599642467 1034067258 /nfs/dbraw/zinc/06/72/58/1034067258.db2.gz VFLLNDJUHMTNJV-UHFFFAOYSA-N 0 3 336.439 3.663 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000593170346 1034193457 /nfs/dbraw/zinc/19/34/57/1034193457.db2.gz KTKAHCYWSIEOBJ-KGLIPLIRSA-N 0 3 326.318 3.553 20 30 EHEDHN CSCCN(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537623665 1034257993 /nfs/dbraw/zinc/25/79/93/1034257993.db2.gz MIFTZQGTWJBJAP-UHFFFAOYSA-N 0 3 326.465 3.932 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(OCC#N)cc2)c([O-])c1 ZINC000171389516 1034369679 /nfs/dbraw/zinc/36/96/79/1034369679.db2.gz POGJXFIXDIQOGR-PXLXIMEGSA-N 0 3 337.423 3.760 20 30 EHEDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000171562928 1034462385 /nfs/dbraw/zinc/46/23/85/1034462385.db2.gz AIPZBGQYKVBXOK-GJZGRUSLSA-N 0 3 337.423 3.787 20 30 EHEDHN CN1CCN(Cc2ccc(C3(C#N)CC3)cc2)[C@H](c2ccccc2)C1 ZINC000596986557 1034483931 /nfs/dbraw/zinc/48/39/31/1034483931.db2.gz WEEXDMZZAPCATB-NRFANRHFSA-N 0 3 331.463 3.730 20 30 EHEDHN CN(CCc1nccs1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356132311 1034743507 /nfs/dbraw/zinc/74/35/07/1034743507.db2.gz GXYOVNFVRDJIMH-UHFFFAOYSA-N 0 3 325.359 3.708 20 30 EHEDHN N#CC(C(=O)c1cc(-c2ccoc2)[nH]n1)c1ccc2ccccc2n1 ZINC000613292714 1035500553 /nfs/dbraw/zinc/50/05/53/1035500553.db2.gz QUHKYZIKZRMKFF-AWEZNQCLSA-N 0 3 328.331 3.708 20 30 EHEDHN COc1cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1C ZINC000180141257 1035784104 /nfs/dbraw/zinc/78/41/04/1035784104.db2.gz ATKQTOBBYOALIA-UHFFFAOYSA-N 0 3 346.434 3.566 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc([C@@H]3CCCOC3)cc2)n1 ZINC000540947053 1035846735 /nfs/dbraw/zinc/84/67/35/1035846735.db2.gz OLQBAGRUPYSNHW-CVEARBPZSA-N 0 3 326.421 3.836 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000088251231 1035937472 /nfs/dbraw/zinc/93/74/72/1035937472.db2.gz GLQUYCRQJMLZEM-FQEVSTJZSA-N 0 3 342.458 3.518 20 30 EHEDHN Cc1ccccc1[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)C1CC1 ZINC000272067672 1036071298 /nfs/dbraw/zinc/07/12/98/1036071298.db2.gz TXTVZZXNWILIRN-YWZLYKJASA-N 0 3 333.435 3.935 20 30 EHEDHN CCOc1ccc(CN2CCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000174813518 1036122123 /nfs/dbraw/zinc/12/21/23/1036122123.db2.gz JOKYKSXOTYXZFB-UHFFFAOYSA-N 0 3 329.488 3.533 20 30 EHEDHN CCOc1c(OC)cc(CNCc2ccc(C#N)c(C)c2)cc1OC ZINC000443975626 1036138874 /nfs/dbraw/zinc/13/88/74/1036138874.db2.gz AMCUVCGXUMZSEL-UHFFFAOYSA-N 0 3 340.423 3.572 20 30 EHEDHN COC(=O)c1cccc(CN2C[C@H](c3ccccc3)C[C@@H]2C)c1C#N ZINC000535203904 1036157405 /nfs/dbraw/zinc/15/74/05/1036157405.db2.gz BAQNMEHYRQGAPJ-MAUKXSAKSA-N 0 3 334.419 3.723 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3ccc(C)cc3)C2)CC1 ZINC000541326270 1036202237 /nfs/dbraw/zinc/20/22/37/1036202237.db2.gz VYXDXZWMGMOBCP-LJQANCHMSA-N 0 3 341.499 3.534 20 30 EHEDHN CC[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccs1 ZINC000180235074 1036327268 /nfs/dbraw/zinc/32/72/68/1036327268.db2.gz GQRRXCGKIAASKW-DLBZAZTESA-N 0 3 339.464 3.856 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464758896 1036739790 /nfs/dbraw/zinc/73/97/90/1036739790.db2.gz RSCLBOJVEXSYNG-ZWKOTPCHSA-N 0 3 344.524 3.690 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000539467498 1036785746 /nfs/dbraw/zinc/78/57/46/1036785746.db2.gz YXHMCHKRAFQEQY-MRXNPFEDSA-N 0 3 335.467 3.644 20 30 EHEDHN CC(C)[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000590615076 1036968462 /nfs/dbraw/zinc/96/84/62/1036968462.db2.gz VYERUTDORKTWNY-GOSISDBHSA-N 0 3 347.890 3.969 20 30 EHEDHN N#Cc1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000609146425 1037113923 /nfs/dbraw/zinc/11/39/23/1037113923.db2.gz YUEVLTNLMXMMHK-UHFFFAOYSA-N 0 3 344.418 3.988 20 30 EHEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@@H]4COC[C@@H]43)c2)c1 ZINC000590972204 1037147393 /nfs/dbraw/zinc/14/73/93/1037147393.db2.gz WWXABHAUEQOTGA-IRLDBZIGSA-N 0 3 348.446 3.748 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610971778 1037374473 /nfs/dbraw/zinc/37/44/73/1037374473.db2.gz DWNHHDVOIZTRLD-SFHVURJKSA-N 0 3 347.462 3.603 20 30 EHEDHN C=CCN1CC[C@H](N2CCc3ccccc3[C@H]2Cc2ccccc2)C1=O ZINC001168207860 1037599062 /nfs/dbraw/zinc/59/90/62/1037599062.db2.gz FTLXFSANSZUSCI-FCHUYYIVSA-N 0 3 346.474 3.615 20 30 EHEDHN C=C1CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000532558461 1037663424 /nfs/dbraw/zinc/66/34/24/1037663424.db2.gz GCRUJUNFXACETN-FQEVSTJZSA-N 0 3 340.492 3.996 20 30 EHEDHN N#CCCC[C@@H](NCc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000573825893 1037761986 /nfs/dbraw/zinc/76/19/86/1037761986.db2.gz VZSRWGMHHNQSTF-LJQANCHMSA-N 0 3 335.455 3.602 20 30 EHEDHN C[C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(C#N)c(F)c1 ZINC000271916378 1037769183 /nfs/dbraw/zinc/76/91/83/1037769183.db2.gz GMJAIBKBTQYOKP-AWEZNQCLSA-N 0 3 337.398 3.675 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](CC)Oc2ccccc2C(C)C)CC1 ZINC000592068474 1037825483 /nfs/dbraw/zinc/82/54/83/1037825483.db2.gz QLJCWMPAFBGEFH-IBGZPJMESA-N 0 3 344.499 3.734 20 30 EHEDHN CC[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000341302377 1037912708 /nfs/dbraw/zinc/91/27/08/1037912708.db2.gz REBMYFMXBJLUOL-GOSISDBHSA-N 0 3 341.842 3.569 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccc(CC)cc2)C(C)C)CC1 ZINC000592478362 1038003115 /nfs/dbraw/zinc/00/31/15/1038003115.db2.gz DOJGURCGTZILGT-FQEVSTJZSA-N 0 3 343.515 3.896 20 30 EHEDHN C=CCOc1ccccc1CN[C@H]1CCN(c2ccccc2F)C1 ZINC000492132285 1038017150 /nfs/dbraw/zinc/01/71/50/1038017150.db2.gz PJBOFTHCULELQP-KRWDZBQOSA-N 0 3 326.415 3.759 20 30 EHEDHN C[C@@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000538507949 1038349309 /nfs/dbraw/zinc/34/93/09/1038349309.db2.gz NWNAMQAJOJZSRP-RDTXWAMCSA-N 0 3 343.446 3.529 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c(F)c1 ZINC000479916138 1038895294 /nfs/dbraw/zinc/89/52/94/1038895294.db2.gz HBISKCHWTIJOLD-CQSZACIVSA-N 0 3 347.796 3.858 20 30 EHEDHN C=CCSc1ccccc1C(=O)NC1CCN(CC(=C)C)CC1 ZINC000485469132 1039131488 /nfs/dbraw/zinc/13/14/88/1039131488.db2.gz SRCOQBLMEJAPET-UHFFFAOYSA-N 0 3 330.497 3.735 20 30 EHEDHN N#Cc1c(F)cccc1N1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000509531547 1039143758 /nfs/dbraw/zinc/14/37/58/1039143758.db2.gz DKVTWICHJAWVHN-MSOLQXFVSA-N 0 3 335.426 3.623 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H](c1ccccc1C)C(C)C ZINC000488706465 1039340180 /nfs/dbraw/zinc/34/01/80/1039340180.db2.gz CPYVBPUWGSVSHO-UZLBHIALSA-N 0 3 329.488 3.632 20 30 EHEDHN C=CCOc1ccc(CNCc2cc(CC=C)c(O)c(OC)c2)cc1 ZINC000512542506 1039674216 /nfs/dbraw/zinc/67/42/16/1039674216.db2.gz QCZRBDOFVOQELD-UHFFFAOYSA-N 0 3 339.435 3.984 20 30 EHEDHN COc1ccc(CN(C)CCOc2cccc(C#N)c2)cc1Cl ZINC000489289648 1039805356 /nfs/dbraw/zinc/80/53/56/1039805356.db2.gz IOPVAIMSORSOEW-UHFFFAOYSA-N 0 3 330.815 3.731 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000912448978 1039910860 /nfs/dbraw/zinc/91/08/60/1039910860.db2.gz CFOKQNSCGAKYEU-KRWDZBQOSA-N 0 3 333.476 3.970 20 30 EHEDHN CCN(C[C@H](C)C#N)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000893996147 1039933903 /nfs/dbraw/zinc/93/39/03/1039933903.db2.gz ZKXLPYYMTYJGKJ-MGNMYUMUSA-N 0 3 335.492 3.646 20 30 EHEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(/C=C/C)cc1OC ZINC000489440904 1039962014 /nfs/dbraw/zinc/96/20/14/1039962014.db2.gz QLGIJCMYRCHURJ-PLDKWVJVSA-N 0 3 331.456 3.509 20 30 EHEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000489508206 1040051788 /nfs/dbraw/zinc/05/17/88/1040051788.db2.gz JDCOCJDRDIHPDC-QWHCGFSZSA-N 0 3 330.255 3.774 20 30 EHEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCCCC2 ZINC000584472941 1040065594 /nfs/dbraw/zinc/06/55/94/1040065594.db2.gz KWDJBMUDBUSJPJ-ZWKOTPCHSA-N 0 3 343.427 3.684 20 30 EHEDHN C=CCOc1ccc(CNCc2cnc3ccc(Cl)cn23)cc1 ZINC000512561059 1040129937 /nfs/dbraw/zinc/12/99/37/1040129937.db2.gz ISHXWQDWSICQAQ-UHFFFAOYSA-N 0 3 327.815 3.842 20 30 EHEDHN C[C@H](NC(=O)CN[C@@H](CCCC#N)c1ccccc1)c1cccs1 ZINC000433011506 1040424623 /nfs/dbraw/zinc/42/46/23/1040424623.db2.gz GAOHSXFUTUDDKS-RDJZCZTQSA-N 0 3 341.480 3.950 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000433015332 1040450265 /nfs/dbraw/zinc/45/02/65/1040450265.db2.gz WOMPKYFDJSSRNL-INIZCTEOSA-N 0 3 338.436 3.583 20 30 EHEDHN Cc1cccn2c(=O)cc(CN[C@@H](CCCC#N)c3ccccc3)nc12 ZINC000433035044 1040531580 /nfs/dbraw/zinc/53/15/80/1040531580.db2.gz KEWPPGCIZJWOAM-IBGZPJMESA-N 0 3 346.434 3.528 20 30 EHEDHN C=CCCCC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000481314821 1040679350 /nfs/dbraw/zinc/67/93/50/1040679350.db2.gz CKJFAGKYFOEJRM-UHFFFAOYSA-N 0 3 342.405 3.952 20 30 EHEDHN CC(C)[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CCN1C ZINC000487080071 1040693079 /nfs/dbraw/zinc/69/30/79/1040693079.db2.gz DSCYILHJJODZAR-OAHLLOKOSA-N 0 3 346.837 3.675 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H](Cn3cnc4ccccc43)C2)c(F)c1 ZINC000614235676 1040792367 /nfs/dbraw/zinc/79/23/67/1040792367.db2.gz DHOIQKVIPDSQCO-QGZVFWFLSA-N 0 3 348.425 3.959 20 30 EHEDHN CC(=O)NCCc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000092740962 1040971071 /nfs/dbraw/zinc/97/10/71/1040971071.db2.gz BPHODXRQASHACL-HOTGVXAUSA-N 0 3 335.451 3.649 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000586783608 1041019856 /nfs/dbraw/zinc/01/98/56/1041019856.db2.gz QNKAPVPVEUAGLE-UHFFFAOYSA-N 0 3 349.409 3.921 20 30 EHEDHN C=CCC1(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCCCC1 ZINC000571021309 1041147146 /nfs/dbraw/zinc/14/71/46/1041147146.db2.gz OAKUMVAPCGPDJM-LJQANCHMSA-N 0 3 341.499 3.689 20 30 EHEDHN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(F)c(Cl)c1 ZINC000433265541 1041177030 /nfs/dbraw/zinc/17/70/30/1041177030.db2.gz LDPMJRMWSKQFPQ-UHFFFAOYSA-N 0 3 345.805 3.811 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(C)Cc1ccc(F)c(Cl)c1 ZINC000433265665 1041177538 /nfs/dbraw/zinc/17/75/38/1041177538.db2.gz MOROGRLQFXMJAO-UHFFFAOYSA-N 0 3 348.805 3.870 20 30 EHEDHN CN(CCC(=O)Nc1ccccc1C#N)Cc1ccc(F)c(Cl)c1 ZINC000433270913 1041181558 /nfs/dbraw/zinc/18/15/58/1041181558.db2.gz LPTUUTWHPALVPO-UHFFFAOYSA-N 0 3 345.805 3.811 20 30 EHEDHN C=CCC[C@H](NCCOc1cccc(NC(C)=O)c1)c1ccco1 ZINC000278839049 1041638261 /nfs/dbraw/zinc/63/82/61/1041638261.db2.gz DCHRABMGQWBRHV-SFHVURJKSA-N 0 3 328.412 3.914 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000662078283 1042499067 /nfs/dbraw/zinc/49/90/67/1042499067.db2.gz AIIQQOKGBSVOFV-FLLBMPTCSA-N 0 3 328.500 3.643 20 30 EHEDHN Cc1cc(C#N)cc(N2CCN(Cc3cccc4ccccc43)CC2)n1 ZINC000585702122 1042982829 /nfs/dbraw/zinc/98/28/29/1042982829.db2.gz DKMIGBJPJXADTC-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN C[C@@H]1CC[C@]2(CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000359541390 1043584187 /nfs/dbraw/zinc/58/41/87/1043584187.db2.gz DFHZDEHDBUAHMW-BSIFCXSSSA-N 0 3 337.467 3.566 20 30 EHEDHN C=CCNC(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000180778850 1127186572 /nfs/dbraw/zinc/18/65/72/1127186572.db2.gz NZUWSKZMDZIDEN-SFHVURJKSA-N 0 3 328.843 3.516 20 30 EHEDHN C=C1CCC(C(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001127874322 1127622404 /nfs/dbraw/zinc/62/24/04/1127622404.db2.gz XLNMOBAUABYJGM-HXUWFJFHSA-N 0 3 326.484 3.856 20 30 EHEDHN C=CC(C)(C)CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000624468205 1128369529 /nfs/dbraw/zinc/36/95/29/1128369529.db2.gz ACMLFYALBNYUHP-UHFFFAOYSA-N 0 3 329.488 3.506 20 30 EHEDHN COc1cccc([C@@H](CNc2ccc(Cl)cc2C#N)N(C)C)c1 ZINC000301132127 1128574719 /nfs/dbraw/zinc/57/47/19/1128574719.db2.gz SPIFBPNRSQCSKX-GOSISDBHSA-N 0 3 329.831 3.935 20 30 EHEDHN CN(C)[C@@H](CNc1c(C#N)cnc2ccccc21)c1ccc(F)cc1 ZINC000301339471 1128585601 /nfs/dbraw/zinc/58/56/01/1128585601.db2.gz FDDOMSWFFUZKFW-IBGZPJMESA-N 0 3 334.398 3.960 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1snc(Cl)c1C#N ZINC000301914889 1128612019 /nfs/dbraw/zinc/61/20/19/1128612019.db2.gz VDNOMWRTDXCFFJ-ZDUSSCGKSA-N 0 3 346.887 3.769 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N(C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000302128304 1128621263 /nfs/dbraw/zinc/62/12/63/1128621263.db2.gz XFQYZDAVDQQIKK-LJQANCHMSA-N 0 3 347.462 3.719 20 30 EHEDHN CC(C)N(CC(=O)NCc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000428840812 1128725910 /nfs/dbraw/zinc/72/59/10/1128725910.db2.gz OZLWDQYLZHYXMW-QGZVFWFLSA-N 0 3 335.451 3.646 20 30 EHEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(CN(C)C)c1 ZINC000073121207 1128753334 /nfs/dbraw/zinc/75/33/34/1128753334.db2.gz LXLSWHGSQFWOPS-UHFFFAOYSA-N 0 3 335.451 3.671 20 30 EHEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000765928650 1128759458 /nfs/dbraw/zinc/75/94/58/1128759458.db2.gz YOBLIYWSGZQCOP-YQQAZPJKSA-N 0 3 345.462 3.520 20 30 EHEDHN N#CC1(c2ccc(CNCc3ccc(-n4ccnc4)c(F)c3)cc2)CC1 ZINC001648911904 1120126819 /nfs/dbraw/zinc/12/68/19/1120126819.db2.gz ZVDKJMUCFJRFFI-UHFFFAOYSA-N 0 3 346.409 3.856 20 30 EHEDHN N#CCOc1cccc(CNCc2ccc(OC(F)F)c(F)c2)c1 ZINC000168317314 1120306385 /nfs/dbraw/zinc/30/63/85/1120306385.db2.gz ZJFTZKNSDKGTEW-UHFFFAOYSA-N 0 3 336.313 3.619 20 30 EHEDHN C=CCOc1c(Cl)cc(CN[C@@]23C[C@@H]2COC3(C)C)cc1OC ZINC000623623578 1120555782 /nfs/dbraw/zinc/55/57/82/1120555782.db2.gz UCAJSKCFGYXYBM-ACJLOTCBSA-N 0 3 337.847 3.571 20 30 EHEDHN COc1ccc(-c2ccc(CNCc3cc(C#N)n(C)c3)s2)cc1 ZINC000191271258 1120666502 /nfs/dbraw/zinc/66/65/02/1120666502.db2.gz NOERIXUMBZLFEB-UHFFFAOYSA-N 0 3 337.448 3.924 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)C2(Br)CC2)c1 ZINC000925416668 1120932594 /nfs/dbraw/zinc/93/25/94/1120932594.db2.gz DNNHBFOQAJNONJ-JSGCOSHPSA-N 0 3 337.261 3.773 20 30 EHEDHN C[C@@H]1CC(N=Nc2ncnc3sc(-c4ccccc4)cc32)CN1C ZINC000761800964 1120941408 /nfs/dbraw/zinc/94/14/08/1120941408.db2.gz IJJMSNVANGGZMM-GFCCVEGCSA-N 0 3 337.452 3.850 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495715083 1121374321 /nfs/dbraw/zinc/37/43/21/1121374321.db2.gz GCABHVWJEJGGIS-YWZLYKJASA-N 0 3 343.471 3.856 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](C)Sc2ccccc2Cl)CC1 ZINC000171717557 1121503879 /nfs/dbraw/zinc/50/38/79/1121503879.db2.gz VVSHULSASSQDBF-ZDUSSCGKSA-N 0 3 338.904 3.587 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(C)Cc1ccc(F)cc1C ZINC000488006483 1121596495 /nfs/dbraw/zinc/59/64/95/1121596495.db2.gz GEJTVXWONMWOMD-UHFFFAOYSA-N 0 3 328.387 3.525 20 30 EHEDHN C=CCCN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000672555612 1129010774 /nfs/dbraw/zinc/01/07/74/1129010774.db2.gz ZWJWDUGAPSSBKW-KRWDZBQOSA-N 0 3 337.895 3.940 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)COC2CCCC2)cc1 ZINC000916915076 1122394010 /nfs/dbraw/zinc/39/40/10/1122394010.db2.gz CIGZFAXODIJTNV-SFHVURJKSA-N 0 3 342.439 3.636 20 30 EHEDHN C[C@H]1Cc2ccccc2N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916966444 1122423622 /nfs/dbraw/zinc/42/36/22/1122423622.db2.gz GVMCOGILBSYSPG-ZFWWWQNUSA-N 0 3 347.443 3.924 20 30 EHEDHN COc1ccc(Cl)cc1CN1CCN(CC(C)(C)CCC#N)CC1 ZINC000128497117 1122610212 /nfs/dbraw/zinc/61/02/12/1122610212.db2.gz WSFATZBQLJGABK-UHFFFAOYSA-N 0 3 349.906 3.796 20 30 EHEDHN C=CCN1CC[C@H](N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O ZINC000499602953 1129069438 /nfs/dbraw/zinc/06/94/38/1129069438.db2.gz PNFWHGFWRRLLPM-JKSUJKDBSA-N 0 3 340.389 3.779 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccc3c2OCO3)c([O-])c1 ZINC000918711885 1122894030 /nfs/dbraw/zinc/89/40/30/1122894030.db2.gz AORGBFXECQOPSF-JAIQZWGSSA-N 0 3 326.396 3.586 20 30 EHEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccc(Br)cc3)C2)o1 ZINC000556910015 1123197679 /nfs/dbraw/zinc/19/76/79/1123197679.db2.gz RXWSOCKELPQAAT-CQSZACIVSA-N 0 3 345.240 3.978 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)cc1F)c1nc2cc(F)ccc2s1 ZINC000609627453 1123628794 /nfs/dbraw/zinc/62/87/94/1123628794.db2.gz ZRXAWLRBZNLRNM-SNVBAGLBSA-N 0 3 347.321 3.959 20 30 EHEDHN N#Cc1cc(N2CCN(CCc3cccs3)CC2)nc2ccccc12 ZINC000609892306 1123687726 /nfs/dbraw/zinc/68/77/26/1123687726.db2.gz UBYRSGISTOCKFZ-UHFFFAOYSA-N 0 3 348.475 3.533 20 30 EHEDHN CC[C@H]1c2ccccc2CCN1CCOc1ccc(C#N)cc1OC ZINC000610133131 1123739219 /nfs/dbraw/zinc/73/92/19/1123739219.db2.gz BYPWQZVIHPHQME-IBGZPJMESA-N 0 3 336.435 3.955 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCCSCC#N ZINC000249454192 1124757317 /nfs/dbraw/zinc/75/73/17/1124757317.db2.gz PDFXDVQFOLKCLD-OAGGEKHMSA-N 0 3 338.517 3.608 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(Cl)c2c(c1)OCCO2 ZINC000618742734 1125179757 /nfs/dbraw/zinc/17/97/57/1125179757.db2.gz QVSSBLFPECOKIK-KRWDZBQOSA-N 0 3 340.810 3.760 20 30 EHEDHN C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]2CCCC[C@H]12 ZINC000182476651 1125312329 /nfs/dbraw/zinc/31/23/29/1125312329.db2.gz HHFDMEJFHVARLV-VMGRFDJRSA-N 0 3 331.847 3.661 20 30 EHEDHN COc1ccc(Br)cc1CN[C@H](C)CC(C)(C)C#N ZINC000925354927 1129287479 /nfs/dbraw/zinc/28/74/79/1129287479.db2.gz CKYQVLRTDAKFEF-LLVKDONJSA-N 0 3 325.250 3.876 20 30 EHEDHN C=CCCC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000543408415 1129470588 /nfs/dbraw/zinc/47/05/88/1129470588.db2.gz KCVZNALFGVXXKN-GOSISDBHSA-N 0 3 336.426 3.963 20 30 EHEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168729264 1129587781 /nfs/dbraw/zinc/58/77/81/1129587781.db2.gz AHAOLEQWLPEOMA-ABSDTBQOSA-N 0 3 347.886 3.633 20 30 EHEDHN N#Cc1c(F)cccc1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000428942791 1129624781 /nfs/dbraw/zinc/62/47/81/1129624781.db2.gz OIDMNNMJRJSKIY-SFHLNBCPSA-N 0 3 336.410 3.702 20 30 EHEDHN Cc1c([C@@H](C)NCC2CCC(C#N)CC2)nnn1-c1ccc(C)cc1 ZINC000282409610 1129720069 /nfs/dbraw/zinc/72/00/69/1129720069.db2.gz SCRQMQGEDXPAAH-FAEJEUNOSA-N 0 3 337.471 3.865 20 30 EHEDHN C=CCC(CC=C)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000675159119 1130271202 /nfs/dbraw/zinc/27/12/02/1130271202.db2.gz CNCZYEYLFZFRHZ-SFHVURJKSA-N 0 3 326.484 3.878 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000245929062 1130332147 /nfs/dbraw/zinc/33/21/47/1130332147.db2.gz IQIHQOIOPURSCW-DLBZAZTESA-N 0 3 342.464 3.716 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000730917483 1130751013 /nfs/dbraw/zinc/75/10/13/1130751013.db2.gz KYDKCWQKJTZBRI-HSALFYBXSA-N 0 3 348.446 3.959 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccccc1F ZINC000731411376 1130796379 /nfs/dbraw/zinc/79/63/79/1130796379.db2.gz XFBDRVCPGWOABA-YPMHNXCESA-N 0 3 344.773 3.930 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000733679303 1131066098 /nfs/dbraw/zinc/06/60/98/1131066098.db2.gz XPLPQDBGXZEJJG-PVUWLOKVSA-N 0 3 348.830 3.583 20 30 EHEDHN C=CC[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccncc1 ZINC000734234434 1131211638 /nfs/dbraw/zinc/21/16/38/1131211638.db2.gz OBUJHXJEJLKIRB-FQEVSTJZSA-N 0 3 335.451 3.725 20 30 EHEDHN C[C@@H](CCCC#N)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC001172509769 1131763310 /nfs/dbraw/zinc/76/33/10/1131763310.db2.gz QGZKTWHNAZPWBC-AWEZNQCLSA-N 0 3 325.378 3.910 20 30 EHEDHN C[C@H]1CC[C@@H](N(C)Cc2cccc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001173077420 1131957364 /nfs/dbraw/zinc/95/73/64/1131957364.db2.gz QQQOCVBRLLCKRZ-MAUKXSAKSA-N 0 3 343.471 3.778 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1cccc(Cl)c1 ZINC000744027008 1132006759 /nfs/dbraw/zinc/00/67/59/1132006759.db2.gz FDJTXBBZPWTGAL-WBMJQRKESA-N 0 3 332.831 3.601 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3C[C@]34CCc3ccccc34)nc21 ZINC000744161388 1132035692 /nfs/dbraw/zinc/03/56/92/1132035692.db2.gz TZNRLBUCMMVUGQ-JLDZCNIISA-N 0 3 341.414 3.952 20 30 EHEDHN C[C@H]1CN(C2CCC(CC#N)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001173339104 1132054793 /nfs/dbraw/zinc/05/47/93/1132054793.db2.gz CYEFOFHWMXELHG-JUVOFCAFSA-N 0 3 335.492 3.789 20 30 EHEDHN C=CCOC1CCC(N[C@H](CO)c2cccc(Cl)c2F)CC1 ZINC001173319805 1132060451 /nfs/dbraw/zinc/06/04/51/1132060451.db2.gz WRGGHLATSVVHGM-SEEARECTSA-N 0 3 327.827 3.616 20 30 EHEDHN CC[C@@]1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744421258 1132087623 /nfs/dbraw/zinc/08/76/23/1132087623.db2.gz YPKGHJBTIWPICF-KUHUBIRLSA-N 0 3 341.480 3.985 20 30 EHEDHN CC1(C#N)CCC(NCC(=O)c2cccc(Br)c2)CC1 ZINC001173589882 1132097047 /nfs/dbraw/zinc/09/70/47/1132097047.db2.gz OKVXYUJHCDVFFT-UHFFFAOYSA-N 0 3 335.245 3.694 20 30 EHEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000745991288 1132345255 /nfs/dbraw/zinc/34/52/55/1132345255.db2.gz VIKJNGPNAQSDRY-BFHYXJOUSA-N 0 3 327.453 3.593 20 30 EHEDHN N#Cc1cc2cccnc2nc1N=C1CCN(Cc2ccccc2)CC1 ZINC001175505016 1132692238 /nfs/dbraw/zinc/69/22/38/1132692238.db2.gz JKUXHOGAUBNOBN-UHFFFAOYSA-N 0 3 341.418 3.703 20 30 EHEDHN Cc1ccc2c(c1)CCN2CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000773649473 1133058282 /nfs/dbraw/zinc/05/82/82/1133058282.db2.gz WDAUOMWJFMXUJL-OAHLLOKOSA-N 0 3 347.443 3.844 20 30 EHEDHN C#CCOc1ccc(CN2CCC(OCc3ccccc3)CC2)cc1 ZINC000768215039 1133113348 /nfs/dbraw/zinc/11/33/48/1133113348.db2.gz UQSOLPBZURYNRF-UHFFFAOYSA-N 0 3 335.447 3.880 20 30 EHEDHN Cc1noc(-c2ccc(CNCc3ccc(C4(C#N)CC4)cc3)cc2)n1 ZINC001178436277 1133163658 /nfs/dbraw/zinc/16/36/58/1133163658.db2.gz HBAHFVACLSHVNG-UHFFFAOYSA-N 0 3 344.418 3.890 20 30 EHEDHN CC[C@@H]1CN(C)c2ccccc2CN1Cc1ccc(C#N)c(OC)c1 ZINC001179974482 1133308995 /nfs/dbraw/zinc/30/89/95/1133308995.db2.gz OBLJRFSWZZKIMZ-LJQANCHMSA-N 0 3 335.451 3.797 20 30 EHEDHN C[C@@H]1CCOCCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000769786647 1133345783 /nfs/dbraw/zinc/34/57/83/1133345783.db2.gz LWXMUMNGZKQRIM-LJQANCHMSA-N 0 3 334.463 3.997 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC(F)(F)F)cc1 ZINC000771262775 1133532935 /nfs/dbraw/zinc/53/29/35/1133532935.db2.gz XUIWNCYQGHKYGJ-CYBMUJFWSA-N 0 3 326.318 3.629 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)c1ccccc1 ZINC001181828679 1133537776 /nfs/dbraw/zinc/53/77/76/1133537776.db2.gz SHFIDNIZLHLVCC-VXKWHMMOSA-N 0 3 348.490 3.780 20 30 EHEDHN CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000771512138 1133567929 /nfs/dbraw/zinc/56/79/29/1133567929.db2.gz XYXKAPHGAYQUSQ-YTQUADARSA-N 0 3 347.503 3.765 20 30 EHEDHN CCCCN(CC)[C@H](C(=O)N1CCCC[C@H]1C#N)c1ccccc1 ZINC001182232767 1133594138 /nfs/dbraw/zinc/59/41/38/1133594138.db2.gz FCJVGCOIIJHMJL-OALUTQOASA-N 0 3 327.472 3.754 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1(C)CCCC1 ZINC000786218432 1133821087 /nfs/dbraw/zinc/82/10/87/1133821087.db2.gz PMPXMYQXFBDOBA-CYBMUJFWSA-N 0 3 327.453 3.737 20 30 EHEDHN CSc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1C#N ZINC001183798171 1133859256 /nfs/dbraw/zinc/85/92/56/1133859256.db2.gz AORDRFAARFZHAO-UHFFFAOYSA-N 0 3 333.460 3.994 20 30 EHEDHN CC[C@@H](C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786549361 1133873988 /nfs/dbraw/zinc/87/39/88/1133873988.db2.gz IEDQUOCYXNTHDP-QAPCUYQASA-N 0 3 328.456 3.927 20 30 EHEDHN Cc1sccc1CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000786928564 1133929888 /nfs/dbraw/zinc/92/98/88/1133929888.db2.gz DQLHHWBHICTBHG-GFCCVEGCSA-N 0 3 332.812 3.600 20 30 EHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(N2CCOC2=O)c1 ZINC000787029993 1133941264 /nfs/dbraw/zinc/94/12/64/1133941264.db2.gz ZLTXYZASWITQNL-JLTOFOAXSA-N 0 3 347.418 3.853 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCCCC1(C)C ZINC000789492867 1134283406 /nfs/dbraw/zinc/28/34/06/1134283406.db2.gz WWZHEOBSIUXHLH-SJORKVTESA-N 0 3 326.440 3.570 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)Cc1ccc(C)o1 ZINC000775226766 1134549551 /nfs/dbraw/zinc/54/95/51/1134549551.db2.gz JPYKJKGCMZWELB-QGZVFWFLSA-N 0 3 338.407 3.603 20 30 EHEDHN CCCCC[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000775320285 1134625853 /nfs/dbraw/zinc/62/58/53/1134625853.db2.gz MUQKTQKLWXYPPR-UYAOXDASSA-N 0 3 329.488 3.952 20 30 EHEDHN N#CC(C(=O)C1=Cc2ccccc2OC1)c1nccc2ccccc21 ZINC000792106029 1134650235 /nfs/dbraw/zinc/65/02/35/1134650235.db2.gz OYFXXHCBTVVPEC-GOSISDBHSA-N 0 3 326.355 3.887 20 30 EHEDHN N#Cc1ccc(CN(C[C@H](O)c2ccc(F)cc2)C2CC2)cc1F ZINC000792237013 1134669589 /nfs/dbraw/zinc/66/95/89/1134669589.db2.gz QMWUKDFQVVJLCI-IBGZPJMESA-N 0 3 328.362 3.534 20 30 EHEDHN C#CC[C@@H](NC[C@@H](O)COc1c(C)ccc(C)c1C)c1ccccc1 ZINC000775399622 1134720966 /nfs/dbraw/zinc/72/09/66/1134720966.db2.gz DVXSIYDGILGSEK-NHCUHLMSSA-N 0 3 337.463 3.706 20 30 EHEDHN C=CCN(CC1CCCCC1)[C@H]1CCN(c2ccccc2OC)C1=O ZINC001190983673 1134774230 /nfs/dbraw/zinc/77/42/30/1134774230.db2.gz FGAWYXBDAZJQBP-IBGZPJMESA-N 0 3 342.483 3.869 20 30 EHEDHN N#CC(C(=O)C[C@H]1CSCCS1)c1ccc2ccccc2n1 ZINC000752473331 1134841415 /nfs/dbraw/zinc/84/14/15/1134841415.db2.gz FZZFNJXQOFAGOL-KBPBESRZSA-N 0 3 328.462 3.650 20 30 EHEDHN CN(C)[C@H]1CCOc2c(Nc3nc(Cl)c(C#N)s3)cccc21 ZINC000804673489 1135164377 /nfs/dbraw/zinc/16/43/77/1135164377.db2.gz DRPOFXDAINPFSG-NSHDSACASA-N 0 3 334.832 3.797 20 30 EHEDHN C=C[C@](C)(CCOC)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805925694 1135356387 /nfs/dbraw/zinc/35/63/87/1135356387.db2.gz QASSLGCHMWLIAI-OAQYLSRUSA-N 0 3 345.483 3.671 20 30 EHEDHN CC(C)Oc1ccc([C@H](C/N=C/c2ccccc2O)N(C)C)cc1 ZINC000806551618 1135456636 /nfs/dbraw/zinc/45/66/36/1135456636.db2.gz WEMLFVZGGJEZTF-IOVUBPJKSA-N 0 3 326.440 3.901 20 30 EHEDHN C#CCC(C)(C)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000807725719 1135564677 /nfs/dbraw/zinc/56/46/77/1135564677.db2.gz BVBIVHNKYUORKK-IBGZPJMESA-N 0 3 328.500 3.654 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001196554719 1135580522 /nfs/dbraw/zinc/58/05/22/1135580522.db2.gz XSFKXOKVTVHBLJ-SFTDATJTSA-N 0 3 345.490 3.946 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccccc1C(F)(F)F ZINC001197285836 1135673735 /nfs/dbraw/zinc/67/37/35/1135673735.db2.gz ORJLBUZYKIXAAK-LBPRGKRZSA-N 0 3 343.418 3.642 20 30 EHEDHN C[C@H]1CN(C(=S)Nc2cccc(C#N)c2)CCN1C1CCCCC1 ZINC001197709015 1135728273 /nfs/dbraw/zinc/72/82/73/1135728273.db2.gz OBQOTMJBBUNYGD-HNNXBMFYSA-N 0 3 342.512 3.594 20 30 EHEDHN C#C[C@H](NCCOC(c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000775794133 1135747841 /nfs/dbraw/zinc/74/78/41/1135747841.db2.gz PGBLZUPCRKNMKX-LEWJYISDSA-N 0 3 335.447 3.563 20 30 EHEDHN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC001198310921 1135805029 /nfs/dbraw/zinc/80/50/29/1135805029.db2.gz SXJFETHBTPJJLK-HXUWFJFHSA-N 0 3 328.456 3.892 20 30 EHEDHN C#C[C@@H](NCc1ccc(OC(F)F)c(Br)c1)C(C)C ZINC000809685076 1135872226 /nfs/dbraw/zinc/87/22/26/1135872226.db2.gz YJKGQJVAOWIZEJ-GFCCVEGCSA-N 0 3 332.188 3.798 20 30 EHEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000776078120 1135949058 /nfs/dbraw/zinc/94/90/58/1135949058.db2.gz UFXXKHKYATXFGL-JKSUJKDBSA-N 0 3 344.842 3.528 20 30 EHEDHN Cc1ccnc(C#N)c1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201475680 1136032203 /nfs/dbraw/zinc/03/22/03/1136032203.db2.gz XXWMFNJOUDAEKX-MOPGFXCFSA-N 0 3 330.435 3.994 20 30 EHEDHN CCCCCCCCCN1CC2(C1)CCN(C(=O)c1cccnc1)C2 ZINC001201847327 1136070387 /nfs/dbraw/zinc/07/03/87/1136070387.db2.gz VFFIJNCSNXMSBM-UHFFFAOYSA-N 0 3 343.515 3.980 20 30 EHEDHN COc1cccc(O)c1/C=N/C[C@H](c1cccs1)N1CCCC1 ZINC000812396403 1136203966 /nfs/dbraw/zinc/20/39/66/1136203966.db2.gz RWNDWDGCKVBWHM-IYSPOMMRSA-N 0 3 330.453 3.718 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nc2ccccc2cc1C#N ZINC001170678860 1136215074 /nfs/dbraw/zinc/21/50/74/1136215074.db2.gz HBSUOQGRJCUBGV-AWEZNQCLSA-N 0 3 339.402 3.979 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000747792487 1136218696 /nfs/dbraw/zinc/21/86/96/1136218696.db2.gz SOWRNVBZCLVRDJ-TZIWHRDSSA-N 0 3 336.435 3.655 20 30 EHEDHN C#C[C@@H](N[C@H](C)CCc1ccc(OC)c(O)c1)c1ccc(F)cc1 ZINC000812792884 1136251582 /nfs/dbraw/zinc/25/15/82/1136251582.db2.gz JUIAAYNYNMJXON-RDTXWAMCSA-N 0 3 327.399 3.825 20 30 EHEDHN CC[C@H](NCc1ccc(N2CCCNC2=O)cc1)c1ccc(C#N)cc1 ZINC000850574898 1136290633 /nfs/dbraw/zinc/29/06/33/1136290633.db2.gz LYFNPGNCRGDXTH-FQEVSTJZSA-N 0 3 348.450 3.719 20 30 EHEDHN C[C@@H](NC(=O)C(C#N)C(=O)CCCF)c1ccc(Cl)cc1Cl ZINC000850977734 1136324675 /nfs/dbraw/zinc/32/46/75/1136324675.db2.gz CXKYFNYQYHOZQU-BXKDBHETSA-N 0 3 345.201 3.629 20 30 EHEDHN N#CCSc1ccccc1NC(=O)CN1CCC[C@H]1C1CCCC1 ZINC000173238717 1136476745 /nfs/dbraw/zinc/47/67/45/1136476745.db2.gz ONVNAFBBDMBVNS-KRWDZBQOSA-N 0 3 343.496 3.895 20 30 EHEDHN C=CCCCN(CC)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC001134802122 1136535633 /nfs/dbraw/zinc/53/56/33/1136535633.db2.gz HZAIWAOIPBTRKU-UHFFFAOYSA-N 0 3 343.515 3.645 20 30 EHEDHN N#CCOc1ccc(CN2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000815206898 1136570433 /nfs/dbraw/zinc/57/04/33/1136570433.db2.gz RDYQJGDRICVRAC-IBGZPJMESA-N 0 3 342.826 3.896 20 30 EHEDHN CCN(CC)c1ccc(/C=N/[C@H](C)C(=O)Nc2ccccc2)c(O)c1 ZINC000111998018 1136595419 /nfs/dbraw/zinc/59/54/19/1136595419.db2.gz ALOHIQKOVVXZBD-HFITWMCCSA-N 0 3 339.439 3.685 20 30 EHEDHN N#CC(C(=O)CCc1cncs1)c1nc2ccccc2n1C(F)F ZINC000815912937 1136652701 /nfs/dbraw/zinc/65/27/01/1136652701.db2.gz DFCSMCHOZXNTGS-NSHDSACASA-N 0 3 346.362 3.697 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C)c(F)cc1Br ZINC001202493448 1136682645 /nfs/dbraw/zinc/68/26/45/1136682645.db2.gz BZCDFZRETSBEOE-CABCVRRESA-N 0 3 328.225 3.720 20 30 EHEDHN C#CCOc1ccc(CNCc2cccc(NC(=O)CCC)c2)cc1 ZINC000113323096 1136696855 /nfs/dbraw/zinc/69/68/55/1136696855.db2.gz OKLYAYMDNGFOMS-UHFFFAOYSA-N 0 3 336.435 3.727 20 30 EHEDHN CN(CC[Si](C)(C)CCN(C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000859314888 1137011440 /nfs/dbraw/zinc/01/14/40/1137011440.db2.gz BSRHGVXMBGIALL-UHFFFAOYSA-N 0 3 336.600 3.658 20 30 EHEDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000805764893 1137026404 /nfs/dbraw/zinc/02/64/04/1137026404.db2.gz GSRZHPJAGIEORS-SFHVURJKSA-N 0 3 343.471 3.828 20 30 EHEDHN CCC[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(Cl)c1 ZINC000860477114 1137062144 /nfs/dbraw/zinc/06/21/44/1137062144.db2.gz APSFZTGLOMTQBZ-SJORKVTESA-N 0 3 346.858 3.991 20 30 EHEDHN CCN1CCN(c2ccc(NC3CCC(C)(C#N)CC3)cc2)CC1 ZINC000823495658 1137102744 /nfs/dbraw/zinc/10/27/44/1137102744.db2.gz UOTSGNPJFVRWJX-UHFFFAOYSA-N 0 3 326.488 3.713 20 30 EHEDHN Cc1c(CNCc2ccc(C#N)c(F)c2)sc2nc(C)nc(C)c12 ZINC000825227424 1137171245 /nfs/dbraw/zinc/17/12/45/1137171245.db2.gz TYAZBAWNTCHYHR-UHFFFAOYSA-N 0 3 340.427 3.917 20 30 EHEDHN CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccnc(C)c2)cc1 ZINC000863158520 1137171936 /nfs/dbraw/zinc/17/19/36/1137171936.db2.gz DZJHYNUPTGDMCM-UHFFFAOYSA-N 0 3 339.443 3.522 20 30 EHEDHN CC#Cc1cccc(-c2cccc(OCCN3CCC(O)CC3)c2)c1 ZINC000844231844 1137205664 /nfs/dbraw/zinc/20/56/64/1137205664.db2.gz XNEVFEXCMJYBSP-UHFFFAOYSA-N 0 3 335.447 3.561 20 30 EHEDHN CCCCCCCCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000794581207 1137210425 /nfs/dbraw/zinc/21/04/25/1137210425.db2.gz ZQULVQHKODFCER-LJQANCHMSA-N 0 3 332.488 3.942 20 30 EHEDHN CC[C@H](OCCN(C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844370108 1137213118 /nfs/dbraw/zinc/21/31/18/1137213118.db2.gz WEXWEACQXMHGIJ-SFTDATJTSA-N 0 3 338.451 3.691 20 30 EHEDHN Cc1cc(C(=O)N(CCN(C)C)C2CCCCC2)cc(C)c1C#N ZINC001143964063 1137219517 /nfs/dbraw/zinc/21/95/17/1137219517.db2.gz DFKWSOMAPZXYPZ-UHFFFAOYSA-N 0 3 327.472 3.512 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc(N(CCC)CCC)cc2)CC1 ZINC000844891100 1137260608 /nfs/dbraw/zinc/26/06/08/1137260608.db2.gz NHQAZIHWRFOXIV-UHFFFAOYSA-N 0 3 341.499 3.597 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000865545968 1137293971 /nfs/dbraw/zinc/29/39/71/1137293971.db2.gz KLXIJAIDVLVZNH-NRFANRHFSA-N 0 3 345.446 3.571 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC001171211468 1137331491 /nfs/dbraw/zinc/33/14/91/1137331491.db2.gz DMPPVSLJBYABPV-INIZCTEOSA-N 0 3 339.870 3.965 20 30 EHEDHN C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)c1cccc(C#N)c1[O-] ZINC000866278654 1137342186 /nfs/dbraw/zinc/34/21/86/1137342186.db2.gz VXFWMUKIPQWBRP-OAHLLOKOSA-N 0 3 327.472 3.712 20 30 EHEDHN C[C@@H](NC1CCN(c2ccccc2C#N)CC1)c1cccnc1Cl ZINC000866448795 1137355640 /nfs/dbraw/zinc/35/56/40/1137355640.db2.gz MFCVVZFICGFPOY-CQSZACIVSA-N 0 3 340.858 3.926 20 30 EHEDHN Cc1nc([C@@H](C)NC2CCN(c3ccccc3C#N)CC2)cs1 ZINC000866449460 1137355695 /nfs/dbraw/zinc/35/56/95/1137355695.db2.gz VHMUBNVYECTTDJ-CYBMUJFWSA-N 0 3 326.469 3.643 20 30 EHEDHN C[C@@H](C#N)c1cccc(C(=O)N(C2CCCC2)C2CCN(C)CC2)c1 ZINC001148617545 1137429745 /nfs/dbraw/zinc/42/97/45/1137429745.db2.gz HARUHWLIPSULCO-INIZCTEOSA-N 0 3 339.483 3.793 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000339095635 1137469870 /nfs/dbraw/zinc/46/98/70/1137469870.db2.gz DKYVDGYNBNMEMD-DNVCBOLYSA-N 0 3 334.423 3.515 20 30 EHEDHN CCO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCCC1 ZINC000870380249 1137490687 /nfs/dbraw/zinc/49/06/87/1137490687.db2.gz XPVQHZODACBAQQ-CZUORRHYSA-N 0 3 340.345 3.872 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(C#N)co2)CC12CCC2 ZINC001171845517 1137515861 /nfs/dbraw/zinc/51/58/61/1137515861.db2.gz YEEAAEQWSBPOEG-HNNXBMFYSA-N 0 3 345.443 3.563 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CC2)CC12CCCCC2 ZINC001172048728 1137529400 /nfs/dbraw/zinc/52/94/00/1137529400.db2.gz JWGLUSXBJNNUMC-MRXNPFEDSA-N 0 3 347.503 3.982 20 30 EHEDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H](NCC1(C#N)CCC1)C2 ZINC001172077834 1137531037 /nfs/dbraw/zinc/53/10/37/1137531037.db2.gz JOFWLFSPKLSTQP-MUJYYYPQSA-N 0 3 333.476 3.590 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001172310942 1137545939 /nfs/dbraw/zinc/54/59/39/1137545939.db2.gz MCWWQNIAMPSFIR-CXAGYDPISA-N 0 3 340.389 3.515 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001172309061 1137545976 /nfs/dbraw/zinc/54/59/76/1137545976.db2.gz PTKWJBTTZMMSIW-OAHLLOKOSA-N 0 3 341.405 3.590 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cn(Cc2cccc(F)c2)cn1 ZINC001172300339 1137549343 /nfs/dbraw/zinc/54/93/43/1137549343.db2.gz VNNQNLFUYFRDBX-MRXNPFEDSA-N 0 3 348.425 3.663 20 30 EHEDHN C[C@@H](NC1CCN(c2ccccc2C#N)CC1)c1cc(O)ccc1F ZINC000872093812 1137571049 /nfs/dbraw/zinc/57/10/49/1137571049.db2.gz XBLOESVCXXZREV-CQSZACIVSA-N 0 3 339.414 3.723 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3csc(C4CC4)n3)nc21 ZINC000873505704 1137601225 /nfs/dbraw/zinc/60/12/25/1137601225.db2.gz WGDLWIZPQHTSJH-ZDUSSCGKSA-N 0 3 336.420 3.624 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)Cc3csc(C4CC4)n3)[nH]c21 ZINC000873505704 1137601226 /nfs/dbraw/zinc/60/12/26/1137601226.db2.gz WGDLWIZPQHTSJH-ZDUSSCGKSA-N 0 3 336.420 3.624 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000876585152 1137656230 /nfs/dbraw/zinc/65/62/30/1137656230.db2.gz BDGNYTUCXGWIPN-AWEZNQCLSA-N 0 3 346.780 3.666 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000876647111 1137658051 /nfs/dbraw/zinc/65/80/51/1137658051.db2.gz GDKPIQJPMRTBKC-LSDHHAIUSA-N 0 3 327.255 3.767 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000876698108 1137659388 /nfs/dbraw/zinc/65/93/88/1137659388.db2.gz LQFSVPOJSKSFIV-MRXNPFEDSA-N 0 3 342.817 3.706 20 30 EHEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)COCc1ccccc1 ZINC000876963495 1137666447 /nfs/dbraw/zinc/66/64/47/1137666447.db2.gz PZOFVWQNNXDUGA-CQSZACIVSA-N 0 3 329.831 3.549 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000876989528 1137667225 /nfs/dbraw/zinc/66/72/25/1137667225.db2.gz WZBUUKNKUSAKBT-HNNXBMFYSA-N 0 3 345.245 3.688 20 30 EHEDHN C#CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877119337 1137670715 /nfs/dbraw/zinc/67/07/15/1137670715.db2.gz DYPKNWKTYHJXND-QFIPXVFZSA-N 0 3 334.463 3.502 20 30 EHEDHN N#Cc1cccc(OC2CCN(C[C@@H]3CCC4(CCC4)O3)CC2)c1 ZINC000878056258 1137700846 /nfs/dbraw/zinc/70/08/46/1137700846.db2.gz QLVPFAQWGHEEMV-IBGZPJMESA-N 0 3 326.440 3.503 20 30 EHEDHN C#CCCCCCN1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000878136579 1137703942 /nfs/dbraw/zinc/70/39/42/1137703942.db2.gz CEJKJUSYWMIKJI-QGZVFWFLSA-N 0 3 349.544 3.552 20 30 EHEDHN C=CCN1CCC(NC(=O)Cc2csc3cc(C)sc23)CC1 ZINC000878750538 1137727120 /nfs/dbraw/zinc/72/71/20/1137727120.db2.gz HZJQEYVORWHORN-UHFFFAOYSA-N 0 3 334.510 3.580 20 30 EHEDHN CC(C)c1cc([C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000879918973 1137762472 /nfs/dbraw/zinc/76/24/72/1137762472.db2.gz KZFMOUXSWVARLI-OAHLLOKOSA-N 0 3 326.419 3.923 20 30 EHEDHN CC(C)c1cc([C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC000879918973 1137762473 /nfs/dbraw/zinc/76/24/73/1137762473.db2.gz KZFMOUXSWVARLI-OAHLLOKOSA-N 0 3 326.419 3.923 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)o1 ZINC000880276119 1137772742 /nfs/dbraw/zinc/77/27/42/1137772742.db2.gz BHEOYUZYRDZPOD-INIZCTEOSA-N 0 3 332.407 3.921 20 30 EHEDHN C=CCCC[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1ccccc1 ZINC000883176165 1137847439 /nfs/dbraw/zinc/84/74/39/1137847439.db2.gz XDLJKKAJKZZGHT-UXHICEINSA-N 0 3 339.483 3.940 20 30 EHEDHN Cc1c([C@@H](C)NCC(C)(C)CCC#N)nnn1-c1ccc(F)cc1 ZINC000348249427 1137878216 /nfs/dbraw/zinc/87/82/16/1137878216.db2.gz YVBSMFKUVDEWEV-CYBMUJFWSA-N 0 3 329.423 3.695 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H]2CC[C@@H](C)C2)c1C ZINC000429561697 1137885781 /nfs/dbraw/zinc/88/57/81/1137885781.db2.gz SENFHBDTUXGTMR-QAPCUYQASA-N 0 3 327.472 3.671 20 30 EHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)NCCN1CCCCC1 ZINC000108532591 1137890008 /nfs/dbraw/zinc/89/00/08/1137890008.db2.gz QRXMEPYQJFDIOS-OAHLLOKOSA-N 0 3 346.500 3.546 20 30 EHEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cccc(C3CCCCC3)c1)C2 ZINC000884429316 1137959632 /nfs/dbraw/zinc/95/96/32/1137959632.db2.gz FITOPMVUDSJOHV-IDYZSHNDSA-N 0 3 337.467 3.812 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CCC(=Cc3cccc(F)c3)CC2)CCC1 ZINC000886076974 1138038605 /nfs/dbraw/zinc/03/86/05/1138038605.db2.gz UQVONIVRXVIVTG-LJQANCHMSA-N 0 3 328.431 3.750 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000050025051 1138044544 /nfs/dbraw/zinc/04/45/44/1138044544.db2.gz WXQUIBTXUZOZOO-LBPRGKRZSA-N 0 3 339.266 3.516 20 30 EHEDHN COc1cc(CN2C[C@@H]3C[C@@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000886345130 1138069730 /nfs/dbraw/zinc/06/97/30/1138069730.db2.gz SIUBUQGOMWFSGA-KDURUIRLSA-N 0 3 334.419 3.598 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](c2cnn(C)c2)C(C)C)c1 ZINC000886547479 1138094490 /nfs/dbraw/zinc/09/44/90/1138094490.db2.gz MAOUAFWYSQHGPC-MJGOQNOKSA-N 0 3 326.444 3.588 20 30 EHEDHN Cc1cscc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000123568557 1138271509 /nfs/dbraw/zinc/27/15/09/1138271509.db2.gz MAWSBXSFUBMKJN-UHFFFAOYSA-N 0 3 342.468 3.524 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OCCC)c2)CC1 ZINC000264336649 1138480380 /nfs/dbraw/zinc/48/03/80/1138480380.db2.gz AXDVQGZRROWYKC-UHFFFAOYSA-N 0 3 331.460 3.637 20 30 EHEDHN COCc1ccc([C@H]2CCCN2CCOc2ccc(C#N)cc2)o1 ZINC000131025709 1138491175 /nfs/dbraw/zinc/49/11/75/1138491175.db2.gz DZGNCYQSDXFZHQ-GOSISDBHSA-N 0 3 326.396 3.514 20 30 EHEDHN C[C@@H](N[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(C#N)cc1 ZINC000338356144 1138850991 /nfs/dbraw/zinc/85/09/91/1138850991.db2.gz KQOYMSHCEVCXKZ-AUUYWEPGSA-N 0 3 337.398 3.544 20 30 EHEDHN C=CCCC[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000889931744 1139290497 /nfs/dbraw/zinc/29/04/97/1139290497.db2.gz GOCRISMRMHHRRJ-UXHICEINSA-N 0 3 339.483 3.740 20 30 EHEDHN CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000173908297 1139386616 /nfs/dbraw/zinc/38/66/16/1139386616.db2.gz WEFMXZUXIFCIFM-INIZCTEOSA-N 0 3 335.451 3.891 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000176944462 1139589012 /nfs/dbraw/zinc/58/90/12/1139589012.db2.gz JMTPBFDFUDBDFP-GFCCVEGCSA-N 0 3 325.437 3.819 20 30 EHEDHN CCN(Cc1ccc(-n2ccnc2)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000177258668 1139607484 /nfs/dbraw/zinc/60/74/84/1139607484.db2.gz IWSJUQRSVZVIGI-INIZCTEOSA-N 0 3 331.423 3.722 20 30 EHEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)cc2)c(C#N)c1C ZINC000182345557 1139966503 /nfs/dbraw/zinc/96/65/03/1139966503.db2.gz VIYRRVSFONKIAM-KBPBESRZSA-N 0 3 325.412 3.754 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](N[C@H](CCC#N)c2ccccc2)C1 ZINC000183350153 1140031233 /nfs/dbraw/zinc/03/12/33/1140031233.db2.gz KMYIQXRIMXKWNF-DLBZAZTESA-N 0 3 329.444 3.630 20 30 EHEDHN COC(=O)COc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000190035022 1140382455 /nfs/dbraw/zinc/38/24/55/1140382455.db2.gz XSJVOZMMXGEHHQ-HUUCEWRRSA-N 0 3 338.407 3.522 20 30 EHEDHN CCN1CCN(c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)c(C)c2)CC1 ZINC000193072659 1140562272 /nfs/dbraw/zinc/56/22/72/1140562272.db2.gz LZAZPARSWPZJOV-QZTJIDSGSA-N 0 3 326.488 3.631 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3ccccc3)ns2)CC1 ZINC000267230436 1140770396 /nfs/dbraw/zinc/77/03/96/1140770396.db2.gz WHHGCTAXBAXLPQ-UHFFFAOYSA-N 0 3 342.468 3.582 20 30 EHEDHN COc1ccc([C@H](OC)[C@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000271589417 1141403179 /nfs/dbraw/zinc/40/31/79/1141403179.db2.gz WOPZMIOWRNNVSX-ORAYPTAESA-N 0 3 328.387 3.572 20 30 EHEDHN CCOC(=O)[C@H]1CC[C@@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000283466230 1141632099 /nfs/dbraw/zinc/63/20/99/1141632099.db2.gz VWVNPGFOJSFBAL-VQTJNVASSA-N 0 3 334.419 3.830 20 30 EHEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000283466227 1141632131 /nfs/dbraw/zinc/63/21/31/1141632131.db2.gz VWVNPGFOJSFBAL-UXHICEINSA-N 0 3 334.419 3.830 20 30 EHEDHN N#Cc1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000078478734 201186342 /nfs/dbraw/zinc/18/63/42/201186342.db2.gz DAARGRDCMGJLJS-INIZCTEOSA-N 0 3 337.398 3.548 20 30 EHEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CCN(CC(C)C)CC3)c12 ZINC001164663604 719340756 /nfs/dbraw/zinc/34/07/56/719340756.db2.gz YTGONDLPJDIQAI-UHFFFAOYSA-N 0 3 342.874 3.846 20 30 EHEDHN C=CCN1CCC(NC(=O)c2c(C)c(C)oc2-c2ccccc2)CC1 ZINC000186688422 1014270120 /nfs/dbraw/zinc/27/01/20/1014270120.db2.gz SINAIMUZUPXWOI-UHFFFAOYSA-N 0 3 338.451 3.944 20 30 EHEDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000538000945 1032091028 /nfs/dbraw/zinc/09/10/28/1032091028.db2.gz SCTOVTHQYASWGL-NRFANRHFSA-N 0 3 347.462 3.716 20 30 EHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000339428076 1014411130 /nfs/dbraw/zinc/41/11/30/1014411130.db2.gz JCHDEDYGUINLMS-OAHLLOKOSA-N 0 3 334.398 3.928 20 30 EHEDHN C=CCN(CCN1CCC(Sc2ccccc2)CC1)C(=O)OCC ZINC001209021183 1015680374 /nfs/dbraw/zinc/68/03/74/1015680374.db2.gz SHJJXCNOMQCBNP-UHFFFAOYSA-N 0 3 348.512 3.888 20 30 EHEDHN C=CCOc1ccc(Cc2nc(-c3ccc(CN(C)C)cc3)no2)cc1 ZINC000904624988 1032142299 /nfs/dbraw/zinc/14/22/99/1032142299.db2.gz ZMQQXQTYFKCLAO-UHFFFAOYSA-N 0 3 349.434 3.954 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000109800901 1016391850 /nfs/dbraw/zinc/39/18/50/1016391850.db2.gz ANSCTPVAJJVLOA-PMACEKPBSA-N 0 3 327.472 3.562 20 30 EHEDHN N#CC(=C([O-])c1ccc(C[NH+]2CCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000340364076 1017037974 /nfs/dbraw/zinc/03/79/74/1017037974.db2.gz XGPQHEORJQOFJO-KRWDZBQOSA-N 0 3 344.418 3.649 20 30 EHEDHN N#C[C@@H](C(=O)c1ccc(CN2CCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000340364076 1017037988 /nfs/dbraw/zinc/03/79/88/1017037988.db2.gz XGPQHEORJQOFJO-KRWDZBQOSA-N 0 3 344.418 3.649 20 30 EHEDHN C=CCN1CCC(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)CC1 ZINC000528451846 1032325482 /nfs/dbraw/zinc/32/54/82/1032325482.db2.gz ZXOHGXFFSXMEEN-UHFFFAOYSA-N 0 3 348.437 3.543 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000537069024 1032506402 /nfs/dbraw/zinc/50/64/02/1032506402.db2.gz AUCYGEQAWUFJEJ-PXNSSMCTSA-N 0 3 347.478 3.947 20 30 EHEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000602002988 1032588521 /nfs/dbraw/zinc/58/85/21/1032588521.db2.gz CLLRQSYJSRDLAA-ZDUSSCGKSA-N 0 3 345.368 3.592 20 30 EHEDHN Cc1ccc([C@H](CN2CCOCC2)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000537295029 1032600573 /nfs/dbraw/zinc/60/05/73/1032600573.db2.gz GFVRRRXCIOQPNT-GCJKJVERSA-N 0 3 349.478 3.591 20 30 EHEDHN Cc1nccn1-c1ccc(CNCc2ccc(C#N)s2)cc1F ZINC000176955442 1017538190 /nfs/dbraw/zinc/53/81/90/1017538190.db2.gz WCDMNYOPQJKYES-UHFFFAOYSA-N 0 3 326.400 3.543 20 30 EHEDHN COc1ccc(C#N)cc1CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000377648950 1018121543 /nfs/dbraw/zinc/12/15/43/1018121543.db2.gz HFMSEHJVIVBIRY-OAQYLSRUSA-N 0 3 348.446 3.751 20 30 EHEDHN COc1cccc(/C=N\C[C@@H](c2cccs2)N2CCCC2)c1O ZINC000255165069 1018494220 /nfs/dbraw/zinc/49/42/20/1018494220.db2.gz FVZHCYHVASYMBV-CCRNYGKSSA-N 0 3 330.453 3.718 20 30 EHEDHN CC1CCN([C@@H](CNC(=O)NCCCCC#N)c2cccs2)CC1 ZINC000171413670 1018771157 /nfs/dbraw/zinc/77/11/57/1018771157.db2.gz OLRQGGMDYGAERL-INIZCTEOSA-N 0 3 348.516 3.514 20 30 EHEDHN CCN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000129182914 1018972679 /nfs/dbraw/zinc/97/26/79/1018972679.db2.gz VACWBHYCKVEXLE-HXUWFJFHSA-N 0 3 348.450 3.687 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000274699589 1019116365 /nfs/dbraw/zinc/11/63/65/1019116365.db2.gz NKRGVINMGMGLGJ-DNVCBOLYSA-N 0 3 336.439 3.680 20 30 EHEDHN N#Cc1ccc(OCCNCc2cnc(-c3cccs3)s2)cc1 ZINC000083472650 1019197047 /nfs/dbraw/zinc/19/70/47/1019197047.db2.gz QCKCGLGTQZTUFM-UHFFFAOYSA-N 0 3 341.461 3.912 20 30 EHEDHN C[NH+](C)CCOc1ccc(CC/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000729148866 1019206259 /nfs/dbraw/zinc/20/62/59/1019206259.db2.gz FONYOIHLXLDCAU-KGENOOAVSA-N 0 3 346.858 3.648 20 30 EHEDHN C[NH+](C)CCOc1ccc(CC/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000729148868 1019206444 /nfs/dbraw/zinc/20/64/44/1019206444.db2.gz FONYOIHLXLDCAU-STZFKDTASA-N 0 3 346.858 3.648 20 30 EHEDHN N#Cc1ccc(C2CCN(Cc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000897589460 1032858768 /nfs/dbraw/zinc/85/87/68/1032858768.db2.gz YYLATIHNRMUMFE-UHFFFAOYSA-N 0 3 346.478 3.933 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1c1cccc2ccccc21 ZINC000513673021 1019923953 /nfs/dbraw/zinc/92/39/53/1019923953.db2.gz NUOQQTBFHRZNAV-UWJYYQICSA-N 0 3 349.478 3.985 20 30 EHEDHN CC(C)c1ccc(CCC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000050682313 1020369763 /nfs/dbraw/zinc/36/97/63/1020369763.db2.gz BLIAMGQKZLUJIP-IBGZPJMESA-N 0 3 340.467 3.900 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000175986605 1020567254 /nfs/dbraw/zinc/56/72/54/1020567254.db2.gz DRMHWROTCJQHSF-CQSZACIVSA-N 0 3 339.395 3.911 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000280753844 1020626743 /nfs/dbraw/zinc/62/67/43/1020626743.db2.gz CWDCWRHFBXIBJF-RZDIXWSQSA-N 0 3 347.890 3.536 20 30 EHEDHN O=C1C=COC2(CCN(Cc3cccc(-c4ccccn4)c3)CC2)C1 ZINC000897602141 1032931347 /nfs/dbraw/zinc/93/13/47/1032931347.db2.gz GVLGBOCZDGOWRI-UHFFFAOYSA-N 0 3 334.419 3.586 20 30 EHEDHN CC(C)CN(CCN(C)C)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458799003 1032947819 /nfs/dbraw/zinc/94/78/19/1032947819.db2.gz IUPKFEDCNLSPMG-IBGZPJMESA-N 0 3 344.503 3.651 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC000602559727 1032973286 /nfs/dbraw/zinc/97/32/86/1032973286.db2.gz PRZBNTDUDWAVEF-VQTJNVASSA-N 0 3 347.462 3.598 20 30 EHEDHN C#C[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(Br)cc1 ZINC000894869775 1021542542 /nfs/dbraw/zinc/54/25/42/1021542542.db2.gz DJYOCHHRRLRFQS-HZPDHXFCSA-N 0 3 334.257 3.815 20 30 EHEDHN C[C@@H](c1cccc2ccccc21)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000140373674 1021616344 /nfs/dbraw/zinc/61/63/44/1021616344.db2.gz QBBXJLZAZBVPGV-KRWDZBQOSA-N 0 3 342.446 3.990 20 30 EHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(OCc2nccn2C)cc1 ZINC000054174590 1021687011 /nfs/dbraw/zinc/68/70/11/1021687011.db2.gz NWUDLRWPOYJZDP-UHFFFAOYSA-N 0 3 346.434 3.503 20 30 EHEDHN CN(Cc1ccc(OC[C@H]2CCCO2)cc1)Cc1cccc(C#N)c1 ZINC000127290810 1021724369 /nfs/dbraw/zinc/72/43/69/1021724369.db2.gz VPJPTHCPOHAEOB-OAQYLSRUSA-N 0 3 336.435 3.748 20 30 EHEDHN C=CCN1CCC(NC(=O)NCC2CCC(CCCC)CC2)CC1 ZINC000519294539 1021992216 /nfs/dbraw/zinc/99/22/16/1021992216.db2.gz FJKDYGDZWBFDAX-UHFFFAOYSA-N 0 3 335.536 3.933 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccccc21 ZINC000593692722 1033027172 /nfs/dbraw/zinc/02/71/72/1033027172.db2.gz ZAAUUZJUIJBBSM-DTDBQYNISA-N 0 3 326.440 3.839 20 30 EHEDHN CN1Cc2c(NC(=O)C(C)(C)C#N)cccc2[C@@H](c2ccccc2)C1 ZINC001143401445 1022084080 /nfs/dbraw/zinc/08/40/80/1022084080.db2.gz MRDOQFRHCWRTHE-QGZVFWFLSA-N 0 3 333.435 3.752 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc(OC)c(OC)c2C)cc1 ZINC000520280348 1022088166 /nfs/dbraw/zinc/08/81/66/1022088166.db2.gz YFWOVRLCINLJDZ-UHFFFAOYSA-N 0 3 327.424 3.867 20 30 EHEDHN CCC(CC)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000112543554 1022270371 /nfs/dbraw/zinc/27/03/71/1022270371.db2.gz IDFOWNLVRFZAFU-SFHVURJKSA-N 0 3 347.890 3.753 20 30 EHEDHN N#CCCN(C(=O)CN(C1CC1)C1CCCC1)c1cccc(Cl)c1 ZINC000517426617 1022324713 /nfs/dbraw/zinc/32/47/13/1022324713.db2.gz DIEOVBNJFGUXQH-UHFFFAOYSA-N 0 3 345.874 3.994 20 30 EHEDHN CC[C@@H](NCC#Cc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000341587160 1022420122 /nfs/dbraw/zinc/42/01/22/1022420122.db2.gz INTAXHWMJZATLV-GOSISDBHSA-N 0 3 325.383 3.689 20 30 EHEDHN C[C@@]1(Br)C[C@@H]1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000891721645 1022460363 /nfs/dbraw/zinc/46/03/63/1022460363.db2.gz BUYDEMSUZYLULI-RHSMWYFYSA-N 0 3 349.272 3.575 20 30 EHEDHN CCc1ccc([C@@H](NCc2cnc3c(C#N)cnn3c2)C(C)C)cc1 ZINC000550153794 1022604266 /nfs/dbraw/zinc/60/42/66/1022604266.db2.gz YNJCBYZYNOFGOH-IBGZPJMESA-N 0 3 333.439 3.650 20 30 EHEDHN CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C2=CCN(C)CC2)c1C(C)C ZINC000330778558 1022672798 /nfs/dbraw/zinc/67/27/98/1022672798.db2.gz BPJFVMIWIQLVAQ-GFCCVEGCSA-N 0 3 331.460 3.604 20 30 EHEDHN CC1CCN([C@H](CNC(=O)CCCCC#N)c2cccs2)CC1 ZINC000593947679 1033122398 /nfs/dbraw/zinc/12/23/98/1033122398.db2.gz KZXUSOIEGPJASO-MRXNPFEDSA-N 0 3 333.501 3.721 20 30 EHEDHN CCCN(C(=O)CCCCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000593971766 1033133630 /nfs/dbraw/zinc/13/36/30/1033133630.db2.gz FUYQDLWMMQDLTN-HXUWFJFHSA-N 0 3 341.499 3.974 20 30 EHEDHN CC[C@H](C)[C@@H](NCC(=O)N(CC)CCC#N)c1ccc(Cl)cc1 ZINC000341859282 1023479773 /nfs/dbraw/zinc/47/97/73/1023479773.db2.gz LRQCBVVWGFNXGP-KBXCAEBGSA-N 0 3 335.879 3.779 20 30 EHEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccsc2)cc1 ZINC000458195018 1023628086 /nfs/dbraw/zinc/62/80/86/1023628086.db2.gz BTFAKGMWEJUMHK-UHFFFAOYSA-N 0 3 344.480 3.517 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NCc1ccccc1F)c1ccccc1 ZINC000341934190 1023705890 /nfs/dbraw/zinc/70/58/90/1023705890.db2.gz WFMNLQQNKBFETB-LJQANCHMSA-N 0 3 326.415 3.739 20 30 EHEDHN CN(C)Cc1ccc(-c2noc(C3(c4cccc(C#N)c4)CC3)n2)cc1 ZINC000610928000 1023880006 /nfs/dbraw/zinc/88/00/06/1023880006.db2.gz YXUVGIQPBYMUAE-UHFFFAOYSA-N 0 3 344.418 3.750 20 30 EHEDHN CN1CC[C@H](NC(=O)Nc2scnc2C2CC2)[C@H]1c1ccccc1 ZINC000329896743 1024240034 /nfs/dbraw/zinc/24/00/34/1024240034.db2.gz CQLUBKUEKXDBQN-GOEBONIOSA-N 0 3 342.468 3.792 20 30 EHEDHN CC(C)n1ncc2c1C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)CC2 ZINC000330048065 1024301006 /nfs/dbraw/zinc/30/10/06/1024301006.db2.gz JVBXXMOMABOXIX-WBVHZDCISA-N 0 3 332.492 3.542 20 30 EHEDHN Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000330208768 1024355618 /nfs/dbraw/zinc/35/56/18/1024355618.db2.gz BHJXAYIKBXJVLQ-LIRRHRJNSA-N 0 3 338.455 3.825 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000443660966 1024375372 /nfs/dbraw/zinc/37/53/72/1024375372.db2.gz ZTIZTHVWFDAIIR-ZACQAIPSSA-N 0 3 345.462 3.829 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000342224123 1024470555 /nfs/dbraw/zinc/47/05/55/1024470555.db2.gz CBNSZQVHMRCXQC-IBGZPJMESA-N 0 3 347.890 3.923 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000514529305 1024540618 /nfs/dbraw/zinc/54/06/18/1024540618.db2.gz TVFBCJIVAWDKPS-KBPBESRZSA-N 0 3 338.398 3.528 20 30 EHEDHN N#Cc1ccc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)nc1 ZINC000579607821 1024577418 /nfs/dbraw/zinc/57/74/18/1024577418.db2.gz ANNWLADJDFLOON-UHFFFAOYSA-N 0 3 333.435 3.833 20 30 EHEDHN CC[C@@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000514709546 1024686900 /nfs/dbraw/zinc/68/69/00/1024686900.db2.gz SZGMCMWJPXJJLD-WOJBJXKFSA-N 0 3 339.483 3.923 20 30 EHEDHN CSc1ccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000281159415 1024716902 /nfs/dbraw/zinc/71/69/02/1024716902.db2.gz KLHGHQDGAHWFOV-GJZGRUSLSA-N 0 3 345.512 3.790 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC(C)C ZINC000114725332 1024754066 /nfs/dbraw/zinc/75/40/66/1024754066.db2.gz BCMGRZDXRNMPAV-OAHLLOKOSA-N 0 3 333.501 3.855 20 30 EHEDHN C=CCC(C)(C)C(=O)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001269977153 1024981880 /nfs/dbraw/zinc/98/18/80/1024981880.db2.gz IUSCUAJMDVQVNE-UHFFFAOYSA-N 0 3 346.437 3.856 20 30 EHEDHN COC(=O)CC1(NCCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000563220911 1024988126 /nfs/dbraw/zinc/98/81/26/1024988126.db2.gz DDUTWATUILOWKG-UHFFFAOYSA-N 0 3 348.446 3.572 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@]2(NCc3csc(C#N)c3)CCC[C@@H]12 ZINC000895943271 1024999178 /nfs/dbraw/zinc/99/91/78/1024999178.db2.gz KEBXUVPBFDSRIT-QAPCUYQASA-N 0 3 347.484 3.641 20 30 EHEDHN C=C(C)CN(CCCc1ccc2c(c1)CCO2)Cc1ccc(CO)o1 ZINC000521115051 1025218241 /nfs/dbraw/zinc/21/82/41/1025218241.db2.gz SHTONGOHHDNQNX-UHFFFAOYSA-N 0 3 341.451 3.718 20 30 EHEDHN C=C(C)COc1cc(CN2CC[C@@H](COC(F)F)C2)ccc1OC ZINC000521115956 1025220537 /nfs/dbraw/zinc/22/05/37/1025220537.db2.gz BZERPSQAJVJHTI-OAHLLOKOSA-N 0 3 341.398 3.711 20 30 EHEDHN N#C[C@H]1CC[C@@H](NCc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000442787197 1025477136 /nfs/dbraw/zinc/47/71/36/1025477136.db2.gz VEWJDVSMLGHXJU-MAUKXSAKSA-N 0 3 325.456 3.987 20 30 EHEDHN CC(=O)c1ccc(NC(=O)CCN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425538212 1025674855 /nfs/dbraw/zinc/67/48/55/1025674855.db2.gz RTNYZPKABUEREA-HNNXBMFYSA-N 0 3 349.434 3.782 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCCN(c2ccccc2C#N)CC1 ZINC000187730851 1025774223 /nfs/dbraw/zinc/77/42/23/1025774223.db2.gz CBPDXLQZUAQWJI-QGZVFWFLSA-N 0 3 330.435 3.703 20 30 EHEDHN C[C@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(C#N)cc1F ZINC000611587629 1025920008 /nfs/dbraw/zinc/92/00/08/1025920008.db2.gz GUQTZZXUEOMXGQ-SWLSCSKDSA-N 0 3 345.368 3.905 20 30 EHEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2Br)[C@H]2CCCO[C@H]21 ZINC000451483081 1026030056 /nfs/dbraw/zinc/03/00/56/1026030056.db2.gz XHAJKPITGPGJBR-FVQBIDKESA-N 0 3 349.272 3.614 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC000329610718 1026074276 /nfs/dbraw/zinc/07/42/76/1026074276.db2.gz CBHVDPQYGWNHOL-PVAVHDDUSA-N 0 3 329.444 3.678 20 30 EHEDHN CN(CC#Cc1ccccc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000452034826 1026450988 /nfs/dbraw/zinc/45/09/88/1026450988.db2.gz USOZDPRSCWYFTP-UHFFFAOYSA-N 0 3 344.808 3.650 20 30 EHEDHN CN(Cc1cccc(F)c1C#N)C1CCN(CCC(F)(F)F)CC1 ZINC000452108160 1026498660 /nfs/dbraw/zinc/49/86/60/1026498660.db2.gz DEIJSEMDUCXUOV-UHFFFAOYSA-N 0 3 343.368 3.546 20 30 EHEDHN C=CCC[C@@H](CCC)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000475430689 1026612968 /nfs/dbraw/zinc/61/29/68/1026612968.db2.gz VDKYNGBVNLQOIK-CABCVRRESA-N 0 3 339.277 3.700 20 30 EHEDHN COc1ccc(Cl)cc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122730692 1026710588 /nfs/dbraw/zinc/71/05/88/1026710588.db2.gz IFPSGDXTINCFGI-ZDUSSCGKSA-N 0 3 339.782 3.725 20 30 EHEDHN N#CCc1ccc(CN(CCCO)Cc2cccc(Cl)c2)cc1 ZINC000342724206 1026852476 /nfs/dbraw/zinc/85/24/76/1026852476.db2.gz JOLZJZKMWLTPRZ-UHFFFAOYSA-N 0 3 328.843 3.791 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000135585060 1027084152 /nfs/dbraw/zinc/08/41/52/1027084152.db2.gz CJUAEXMQYXCWDB-LPHOPBHVSA-N 0 3 348.450 3.651 20 30 EHEDHN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCCCC#N ZINC000273106641 1027271541 /nfs/dbraw/zinc/27/15/41/1027271541.db2.gz WTLDZXQMPDALCT-UHFFFAOYSA-N 0 3 347.260 3.645 20 30 EHEDHN N#CCCCCN1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129538367 1027572705 /nfs/dbraw/zinc/57/27/05/1027572705.db2.gz RFXBHSALVZPSLN-HXUWFJFHSA-N 0 3 335.451 3.728 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COCc1ccccc1Cl ZINC000502502808 1028266315 /nfs/dbraw/zinc/26/63/15/1028266315.db2.gz RPBNGJSCEDZRLM-LJQANCHMSA-N 0 3 345.870 3.906 20 30 EHEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000583028500 1028586105 /nfs/dbraw/zinc/58/61/05/1028586105.db2.gz PROXASHEQGNASM-QHRIQVFBSA-N 0 3 337.379 3.509 20 30 EHEDHN N#CCCCOc1cccc(CNCc2ccc(-n3cccn3)cc2)c1 ZINC000237824353 1028667722 /nfs/dbraw/zinc/66/77/22/1028667722.db2.gz VINCHCAZLKLMCZ-UHFFFAOYSA-N 0 3 346.434 3.845 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccnc(N3CCCCC3)c2)cc1 ZINC000162412384 1028744220 /nfs/dbraw/zinc/74/42/20/1028744220.db2.gz BBXDEUDTTJTHIV-GOSISDBHSA-N 0 3 349.478 3.935 20 30 EHEDHN CCN(CC)CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000502878328 1028771577 /nfs/dbraw/zinc/77/15/77/1028771577.db2.gz VHOOZSVXWJNZTN-MRXNPFEDSA-N 0 3 335.451 3.744 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000424091624 1028795733 /nfs/dbraw/zinc/79/57/33/1028795733.db2.gz MZFPZIUYLYTUFB-ZBFHGGJFSA-N 0 3 347.871 3.628 20 30 EHEDHN CCC(CC)(CNC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424114522 1028808902 /nfs/dbraw/zinc/80/89/02/1028808902.db2.gz RHSOAMYYKKTKAW-MRXNPFEDSA-N 0 3 335.879 3.535 20 30 EHEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000424135030 1028826052 /nfs/dbraw/zinc/82/60/52/1028826052.db2.gz YTXFTQAEUZVUEZ-KRWDZBQOSA-N 0 3 331.485 3.822 20 30 EHEDHN N#Cc1ccc(CN[C@H]2CCN(c3cccc(Cl)c3)C2)c(F)c1 ZINC000532987706 1029144258 /nfs/dbraw/zinc/14/42/58/1029144258.db2.gz NIBULDUUQZTYAF-INIZCTEOSA-N 0 3 329.806 3.719 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000434174116 1029394068 /nfs/dbraw/zinc/39/40/68/1029394068.db2.gz ONNWADBBEVHGSR-LJQANCHMSA-N 0 3 347.478 3.815 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CCc1ccccc1 ZINC000544408561 1029400521 /nfs/dbraw/zinc/40/05/21/1029400521.db2.gz LNCFZCBKLSIJLG-FQEVSTJZSA-N 0 3 325.452 3.677 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000524668865 1029430024 /nfs/dbraw/zinc/43/00/24/1029430024.db2.gz AXWPQDFFTFBGAD-YTQUADARSA-N 0 3 335.536 3.787 20 30 EHEDHN C=CC[C@H](C)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272517504 1029815566 /nfs/dbraw/zinc/81/55/66/1029815566.db2.gz XWUCDWVARMEHMS-IFXJQAMLSA-N 0 3 347.455 3.873 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000453379863 1030158612 /nfs/dbraw/zinc/15/86/12/1030158612.db2.gz ZOGLYBBCLSLMDH-WQAKAFBOSA-N 0 3 349.324 3.884 20 30 EHEDHN CC(C)C[C@H]([NH2+]C1CCC(c2ccc(Cl)cc2)CC1)C(=O)N[O-] ZINC001168341539 1030190343 /nfs/dbraw/zinc/19/03/43/1030190343.db2.gz NACIJBILVYZSKJ-PREGVCBESA-N 0 3 338.879 3.876 20 30 EHEDHN Cc1ccc(C[C@H](CO)N[C@H](C)c2ccc(C#N)cc2F)cc1C ZINC000453447538 1030268995 /nfs/dbraw/zinc/26/89/95/1030268995.db2.gz PKYHWAJCSNACTL-CRAIPNDOSA-N 0 3 326.415 3.568 20 30 EHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000246311533 1030441904 /nfs/dbraw/zinc/44/19/04/1030441904.db2.gz CMCAVQVJYNSKCZ-YQVWRLOYSA-N 0 3 339.483 3.596 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CCC(OC3CCCC3)CC2)cc1 ZINC000092758721 1030510024 /nfs/dbraw/zinc/51/00/24/1030510024.db2.gz ZDCJTAHECXTIKG-MRXNPFEDSA-N 0 3 328.456 3.901 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(Cl)cc1Br ZINC000527703731 1031138775 /nfs/dbraw/zinc/13/87/75/1031138775.db2.gz RZMMBAZJOQJQOV-HZMBPMFUSA-N 0 3 345.668 3.568 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(Cl)cc1Br ZINC000527703740 1031138872 /nfs/dbraw/zinc/13/88/72/1031138872.db2.gz RZMMBAZJOQJQOV-YGRLFVJLSA-N 0 3 345.668 3.568 20 30 EHEDHN CSCC[C@@H](NCCCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000278550310 1031326297 /nfs/dbraw/zinc/32/62/97/1031326297.db2.gz AVQJEAFLTGKOPC-OAHLLOKOSA-N 0 3 345.516 3.833 20 30 EHEDHN COc1cccc([C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)OC)c1 ZINC000527932662 1031495619 /nfs/dbraw/zinc/49/56/19/1031495619.db2.gz XPZOEZMXOKQRKS-ORAYPTAESA-N 0 3 328.387 3.744 20 30 EHEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(Br)cc1F ZINC000598617482 1033330263 /nfs/dbraw/zinc/33/02/63/1033330263.db2.gz SAACGRAZXWGICK-ZYHUDNBSSA-N 0 3 343.240 3.540 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000594370589 1033340491 /nfs/dbraw/zinc/34/04/91/1033340491.db2.gz BETSYZHFTRDWIM-CQSZACIVSA-N 0 3 339.414 3.576 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000594429561 1033365095 /nfs/dbraw/zinc/36/50/95/1033365095.db2.gz RLYQTEVHHCPMCP-LLVKDONJSA-N 0 3 345.390 3.691 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000594432001 1033367960 /nfs/dbraw/zinc/36/79/60/1033367960.db2.gz UUBHCDFRFYLKOJ-SFHVURJKSA-N 0 3 345.462 3.555 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000594431616 1033369094 /nfs/dbraw/zinc/36/90/94/1033369094.db2.gz OVSMZLODDZTFMK-KRWDZBQOSA-N 0 3 347.890 3.679 20 30 EHEDHN Cc1cccc(-c2cccc(CNC(=O)[C@H](N)CCCCC#N)c2)c1 ZINC000594437656 1033376354 /nfs/dbraw/zinc/37/63/54/1033376354.db2.gz MRLOAUHQDMVOAF-HXUWFJFHSA-N 0 3 335.451 3.690 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000594445431 1033377907 /nfs/dbraw/zinc/37/79/07/1033377907.db2.gz FLBOMXYWBUKURP-MRXNPFEDSA-N 0 3 333.863 3.637 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000594427694 1033388863 /nfs/dbraw/zinc/38/88/63/1033388863.db2.gz WCNDAIQYHOOVGG-FQEVSTJZSA-N 0 3 335.451 3.627 20 30 EHEDHN Cc1ccc(-c2csc(NC(=O)[C@H](N)CCCCC#N)n2)c(C)c1 ZINC000594424585 1033390183 /nfs/dbraw/zinc/39/01/83/1033390183.db2.gz BJXAKVIMCYQHDP-OAHLLOKOSA-N 0 3 342.468 3.777 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000607901483 1033397901 /nfs/dbraw/zinc/39/79/01/1033397901.db2.gz IIWYSZXMGDDBLV-ZDUSSCGKSA-N 0 3 340.389 3.576 20 30 EHEDHN COC(=O)c1ccc2c(c1)[C@H](NCc1ccc(CC#N)cc1)CCC2 ZINC000594506990 1033406586 /nfs/dbraw/zinc/40/65/86/1033406586.db2.gz JKCJHEGRLCGUKM-HXUWFJFHSA-N 0 3 334.419 3.706 20 30 EHEDHN N#CCCCOc1cccc(CN2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594614624 1033477723 /nfs/dbraw/zinc/47/77/23/1033477723.db2.gz YLOJJAAMMYJUGL-HXUWFJFHSA-N 0 3 328.456 3.903 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2oc3ccc(OC)cc3c2C)CC1 ZINC000106038572 1033529321 /nfs/dbraw/zinc/52/93/21/1033529321.db2.gz SPXLXLAJXLBIGJ-UHFFFAOYSA-N 0 3 342.439 3.520 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc3ccccc3c2)CC1 ZINC000106339344 1033571127 /nfs/dbraw/zinc/57/11/27/1033571127.db2.gz HEFRQVZXTYUQLG-UHFFFAOYSA-N 0 3 337.467 3.680 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000594951182 1033593368 /nfs/dbraw/zinc/59/33/68/1033593368.db2.gz SOBIDCBDYYAERP-RBBKRZOGSA-N 0 3 348.446 3.893 20 30 EHEDHN N#Cc1ccc(CN[C@]2(Cc3ccc(Cl)cc3)CCCOC2)o1 ZINC000594965846 1033606030 /nfs/dbraw/zinc/60/60/30/1033606030.db2.gz LOEFCDFPZFGYOL-SFHVURJKSA-N 0 3 330.815 3.686 20 30 EHEDHN C[C@H](CCc1cccc(F)c1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966710 1033636849 /nfs/dbraw/zinc/63/68/49/1033636849.db2.gz VHZOQHCQEVNUJV-KDOFPFPSSA-N 0 3 338.382 3.742 20 30 EHEDHN C[C@@H](CCc1ccccc1F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173968098 1033638322 /nfs/dbraw/zinc/63/83/22/1033638322.db2.gz UCXRCRJJLWZEOI-YOEHRIQHSA-N 0 3 338.382 3.742 20 30 EHEDHN C=CCC[C@@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000574982595 1033748439 /nfs/dbraw/zinc/74/84/39/1033748439.db2.gz DGQZBAGPMQCHRN-IUODEOHRSA-N 0 3 349.418 3.735 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc3c(cc2Cl)CCC3)CC1 ZINC000529289932 1033773995 /nfs/dbraw/zinc/77/39/95/1033773995.db2.gz PCNDSGPTYIGSPO-UHFFFAOYSA-N 0 3 347.890 3.991 20 30 EHEDHN N#Cc1cccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000595552252 1033859486 /nfs/dbraw/zinc/85/94/86/1033859486.db2.gz RJNWKYIZYDFLAZ-UHFFFAOYSA-N 0 3 330.435 3.889 20 30 EHEDHN N#CC[C@H]1CCCN(CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000595614642 1033927756 /nfs/dbraw/zinc/92/77/56/1033927756.db2.gz LXGNCDSGAXOLBP-CYBMUJFWSA-N 0 3 328.334 3.590 20 30 EHEDHN C=CC[C@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000595661266 1033940324 /nfs/dbraw/zinc/94/03/24/1033940324.db2.gz XYWXRRYUQDNJEL-KBPBESRZSA-N 0 3 342.399 3.994 20 30 EHEDHN CC(C)(C)N1CC[C@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000595662266 1033940392 /nfs/dbraw/zinc/94/03/92/1033940392.db2.gz GTMPITGTKKHPRK-ROUUACIJSA-N 0 3 342.487 3.594 20 30 EHEDHN N#Cc1cccc(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000609042776 1033991112 /nfs/dbraw/zinc/99/11/12/1033991112.db2.gz QLKIOSWDHVAWPK-HXUWFJFHSA-N 0 3 348.450 3.907 20 30 EHEDHN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCC(F)CC1 ZINC000595819378 1033993508 /nfs/dbraw/zinc/99/35/08/1033993508.db2.gz OSGIELPKHBHUKV-YGONEPDPSA-N 0 3 328.391 3.615 20 30 EHEDHN COC(=O)c1cnc([C@@H]2CCCN(CCCCC(C)(C)C#N)C2)s1 ZINC000595919411 1034038820 /nfs/dbraw/zinc/03/88/20/1034038820.db2.gz MPPMXQWNDWVMAN-CQSZACIVSA-N 0 3 349.500 3.829 20 30 EHEDHN Cc1cccc([C@H](NCC(=O)NC2(C#N)CCCCC2)C(C)C)c1 ZINC000599626806 1034051332 /nfs/dbraw/zinc/05/13/32/1034051332.db2.gz HKDBFDBIZJBBIY-LJQANCHMSA-N 0 3 327.472 3.624 20 30 EHEDHN COc1ccc([C@H]2CCN(Cc3ccc(OC)c(C#N)c3)C2)cc1F ZINC000599676949 1034085116 /nfs/dbraw/zinc/08/51/16/1034085116.db2.gz FWNCSPJPTRCWEQ-INIZCTEOSA-N 0 3 340.398 3.704 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000255830299 1034488876 /nfs/dbraw/zinc/48/88/76/1034488876.db2.gz QCULCOXCOCDLBU-HRCADAONSA-N 0 3 333.366 3.692 20 30 EHEDHN CN(CCOc1ccc(Cl)cc1)CCOc1ccccc1C#N ZINC000060464296 1034558131 /nfs/dbraw/zinc/55/81/31/1034558131.db2.gz XCZYROZQCSZSFO-UHFFFAOYSA-N 0 3 330.815 3.601 20 30 EHEDHN COc1cc(CNCc2ccc(OCC#N)cc2)cc(Cl)c1OC ZINC000171769744 1034622883 /nfs/dbraw/zinc/62/28/83/1034622883.db2.gz PFRSPFRFWXVYSY-UHFFFAOYSA-N 0 3 346.814 3.549 20 30 EHEDHN COc1cc(CN(C)C)ccc1NC(=O)CC1(C#N)CCCCC1 ZINC000601622720 1034632160 /nfs/dbraw/zinc/63/21/60/1034632160.db2.gz UCHVCUUUGLUSCK-UHFFFAOYSA-N 0 3 329.444 3.559 20 30 EHEDHN C=CCN(C(=O)C[C@H](N)c1ccccc1)c1nc2c(s1)CCCC2 ZINC000448235826 1034754085 /nfs/dbraw/zinc/75/40/85/1034754085.db2.gz AFWFAZDEOSRVIT-HNNXBMFYSA-N 0 3 341.480 3.631 20 30 EHEDHN CC1(C)CC[C@@H](NCc2cnc3c(C#N)cnn3c2)c2ccccc21 ZINC000580592019 1035442519 /nfs/dbraw/zinc/44/25/19/1035442519.db2.gz AWOLRBCZBIRRJC-GOSISDBHSA-N 0 3 331.423 3.503 20 30 EHEDHN N#CCC[C@@H](C#N)CNCC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000066484200 1035489656 /nfs/dbraw/zinc/48/96/56/1035489656.db2.gz DUFJMLSHKCZMPY-INIZCTEOSA-N 0 3 339.439 3.650 20 30 EHEDHN CN(C)C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000588231464 1035829625 /nfs/dbraw/zinc/82/96/25/1035829625.db2.gz RUTFXQZMEXYZAY-SFTDATJTSA-N 0 3 337.442 3.967 20 30 EHEDHN C[C@H](NC[C@H](CO)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000588232664 1035832122 /nfs/dbraw/zinc/83/21/22/1035832122.db2.gz VLGQXLWRPNGIFR-SWLSCSKDSA-N 0 3 332.806 3.777 20 30 EHEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl ZINC000026227465 1036399082 /nfs/dbraw/zinc/39/90/82/1036399082.db2.gz PJCNRULANHVIGK-CYBMUJFWSA-N 0 3 327.815 3.891 20 30 EHEDHN CC(C)[C@H](NC1CCC(C)(C#N)CC1)c1nc(-c2ccncc2)no1 ZINC000590647943 1036987901 /nfs/dbraw/zinc/98/79/01/1036987901.db2.gz GQJJIDOYKNKHRU-WUJZJPHMSA-N 0 3 339.443 3.891 20 30 EHEDHN N#Cc1ccc(CN(CCOCC(F)(F)C(F)(F)F)C2CC2)cc1 ZINC000188916874 1037563240 /nfs/dbraw/zinc/56/32/40/1037563240.db2.gz YATFAEXMZVMUGQ-UHFFFAOYSA-N 0 3 348.315 3.737 20 30 EHEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000532576072 1037686005 /nfs/dbraw/zinc/68/60/05/1037686005.db2.gz HNUZKSXXHSLZMV-OZOXKJRCSA-N 0 3 345.446 3.542 20 30 EHEDHN C=CCN1CCC(NC(=O)C2(c3cccc(Cl)c3)CCC2)CC1 ZINC000592068634 1037827617 /nfs/dbraw/zinc/82/76/17/1037827617.db2.gz IMQCCRGFFKKXCG-UHFFFAOYSA-N 0 3 332.875 3.528 20 30 EHEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000540329366 1037829311 /nfs/dbraw/zinc/82/93/11/1037829311.db2.gz MYQZXPDURAKFCD-UISNHOIMSA-N 0 3 341.499 3.965 20 30 EHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc(F)cc3F)C2)c(F)c1 ZINC000237791419 1037986946 /nfs/dbraw/zinc/98/69/46/1037986946.db2.gz PBRZFXUETZUARF-MRXNPFEDSA-N 0 3 345.368 3.734 20 30 EHEDHN COc1ccc([C@H](CNc2ccc(C#N)cn2)N2CCCCC2)cc1 ZINC000058482215 1037988023 /nfs/dbraw/zinc/98/80/23/1037988023.db2.gz YLNRMAKFTQVPJT-IBGZPJMESA-N 0 3 336.439 3.601 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000492128304 1038010936 /nfs/dbraw/zinc/01/09/36/1038010936.db2.gz AFCAUZZYNQDMIK-WBVHZDCISA-N 0 3 343.471 3.856 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc([C@H](C)OC)c2)CC1 ZINC000106324995 1038022368 /nfs/dbraw/zinc/02/23/68/1038022368.db2.gz XZWZESMXRQEMQA-HNNXBMFYSA-N 0 3 331.460 3.556 20 30 EHEDHN C[C@@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(C#N)c(F)c1 ZINC000538506876 1038346426 /nfs/dbraw/zinc/34/64/26/1038346426.db2.gz IFYKMNMZNAYPCU-XIKOKIGWSA-N 0 3 347.384 3.929 20 30 EHEDHN CC(=O)N1CC[C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc21 ZINC000378452278 1038637330 /nfs/dbraw/zinc/63/73/30/1038637330.db2.gz LFKYEICXUJZXCX-QRWLVFNGSA-N 0 3 349.434 3.737 20 30 EHEDHN CC(C)Oc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000539264850 1038756692 /nfs/dbraw/zinc/75/66/92/1038756692.db2.gz FLQDHHVTEINPKZ-FTRWYGJKSA-N 0 3 345.487 3.567 20 30 EHEDHN CC1(c2nc3ccccc3s2)CCN(CCOCCC#N)CC1 ZINC000339186600 1038868265 /nfs/dbraw/zinc/86/82/65/1038868265.db2.gz SSTKSKKCHLGGOW-UHFFFAOYSA-N 0 3 329.469 3.580 20 30 EHEDHN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(C#N)c(C)c3)ccc2NC1=O ZINC000488143740 1038911014 /nfs/dbraw/zinc/91/10/14/1038911014.db2.gz GMNNPTOPKOSRQK-KUHUBIRLSA-N 0 3 349.434 3.827 20 30 EHEDHN N#Cc1ccc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)c(F)c1 ZINC000500548852 1038965572 /nfs/dbraw/zinc/96/55/72/1038965572.db2.gz WANGUJWCHJBINU-IBGZPJMESA-N 0 3 344.817 3.842 20 30 EHEDHN C=CC[C@H](C(=O)NC[C@@H](C)N(C)Cc1ccccc1)c1ccccc1 ZINC000488381036 1039133952 /nfs/dbraw/zinc/13/39/52/1039133952.db2.gz RLUGQBHZEGRRNX-NQIIRXRSSA-N 0 3 336.479 3.983 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](c1ccccc1C)C(C)C ZINC000488706464 1039340937 /nfs/dbraw/zinc/34/09/37/1039340937.db2.gz CPYVBPUWGSVSHO-OXQOHEQNSA-N 0 3 329.488 3.632 20 30 EHEDHN CC1CCN(CCSc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000488749723 1039383331 /nfs/dbraw/zinc/38/33/31/1039383331.db2.gz JHPWHYQOANNWCS-UHFFFAOYSA-N 0 3 329.391 3.796 20 30 EHEDHN N#Cc1ccc(N2CCC[C@H](N3CC[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000489179603 1039703873 /nfs/dbraw/zinc/70/38/73/1039703873.db2.gz ZIZZTWPCECMMPE-FPOVZHCZSA-N 0 3 345.446 3.543 20 30 EHEDHN N#Cc1cccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000043329926 1039770273 /nfs/dbraw/zinc/77/02/73/1039770273.db2.gz ZVLINRNKGXPKDX-INIZCTEOSA-N 0 3 340.452 3.578 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc(OC)ccc1NC(C)=O ZINC000912295104 1039788472 /nfs/dbraw/zinc/78/84/72/1039788472.db2.gz SRSFCLLRTXTELI-MRXNPFEDSA-N 0 3 349.475 3.670 20 30 EHEDHN Cc1ccsc1CCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000129418242 1039852643 /nfs/dbraw/zinc/85/26/43/1039852643.db2.gz BEZWACFPBZYVGN-OAHLLOKOSA-N 0 3 326.421 3.727 20 30 EHEDHN CN(CCOCc1ccc(C#N)cc1)CCOC1CCCCCC1 ZINC000584803569 1039930591 /nfs/dbraw/zinc/93/05/91/1039930591.db2.gz LEIYMFVILBGPEQ-UHFFFAOYSA-N 0 3 330.472 3.746 20 30 EHEDHN CCCN(CCCSCC#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490032775 1040302955 /nfs/dbraw/zinc/30/29/55/1040302955.db2.gz BXOGWBHLGVIFNU-INIZCTEOSA-N 0 3 333.501 3.681 20 30 EHEDHN CC(C)[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000029197469 1040393008 /nfs/dbraw/zinc/39/30/08/1040393008.db2.gz SCBOWGZWCWQQFR-WMZOPIPTSA-N 0 3 327.472 3.704 20 30 EHEDHN C[C@@H](C1CC1)N(C(=O)CN[C@@H](CCCC#N)c1ccccc1)C1CC1 ZINC000433012901 1040469760 /nfs/dbraw/zinc/46/97/60/1040469760.db2.gz MDLFTEPRQWSOIZ-JXFKEZNVSA-N 0 3 339.483 3.801 20 30 EHEDHN CC(C)CN(C(=O)CN[C@H](CCCC#N)c1ccccc1)C(C)C ZINC000433023309 1040479036 /nfs/dbraw/zinc/47/90/36/1040479036.db2.gz ORLXEGVYCMFDND-LJQANCHMSA-N 0 3 329.488 3.904 20 30 EHEDHN Cc1ccccc1CCNC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433030863 1040507165 /nfs/dbraw/zinc/50/71/65/1040507165.db2.gz XIHRBVMCRQFPGM-OAQYLSRUSA-N 0 3 349.478 3.679 20 30 EHEDHN Cn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(-c2cccnc2)n1 ZINC000418147703 1040663465 /nfs/dbraw/zinc/66/34/65/1040663465.db2.gz RSKNEQDBWPRMDV-HXUWFJFHSA-N 0 3 343.434 3.521 20 30 EHEDHN C#Cc1cccc(NC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000155648280 1040883629 /nfs/dbraw/zinc/88/36/29/1040883629.db2.gz CDGIFBFYPWDRCG-OAQYLSRUSA-N 0 3 347.462 3.796 20 30 EHEDHN C[C@H]1CCCC[C@@H]1OCCN1CCCN(c2ccccc2C#N)CC1 ZINC000491074365 1040885588 /nfs/dbraw/zinc/88/55/88/1040885588.db2.gz JBDMCARPHRWHCH-RXVVDRJESA-N 0 3 341.499 3.666 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000171740038 1041027962 /nfs/dbraw/zinc/02/79/62/1041027962.db2.gz ORSGBKQQNBKWQZ-UHFFFAOYSA-N 0 3 328.243 3.765 20 30 EHEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000156515306 1041262003 /nfs/dbraw/zinc/26/20/03/1041262003.db2.gz RPGJCRDRWXIIPG-NWDGAFQWSA-N 0 3 345.251 3.782 20 30 EHEDHN C=CCN(Cc1cccc(OCc2ccccn2)c1)[C@@H](C)COC ZINC000661238888 1042026128 /nfs/dbraw/zinc/02/61/28/1042026128.db2.gz HBDYNLKVSIBBCU-KRWDZBQOSA-N 0 3 326.440 3.684 20 30 EHEDHN CC(C)[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N(C)C ZINC000066928593 1042496816 /nfs/dbraw/zinc/49/68/16/1042496816.db2.gz LUGQBVVSQCNBNF-LJQANCHMSA-N 0 3 337.423 3.875 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(OCCOC)c2)cc1 ZINC000163002383 1043003681 /nfs/dbraw/zinc/00/36/81/1043003681.db2.gz YUFMLEJMNKWHIS-QGZVFWFLSA-N 0 3 339.435 3.575 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)C[C@@H]2CC=CCC2)c1C ZINC000344032846 1043141584 /nfs/dbraw/zinc/14/15/84/1043141584.db2.gz DXIBFUGMMJTBIQ-LJQANCHMSA-N 0 3 339.483 3.838 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@H]1CC=CCC1 ZINC000344032827 1043142298 /nfs/dbraw/zinc/14/22/98/1043142298.db2.gz DTJSTXDXQPIQGB-ROUUACIJSA-N 0 3 325.456 3.610 20 30 EHEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1OC(F)F)c1nccs1 ZINC000344368020 1043769591 /nfs/dbraw/zinc/76/95/91/1043769591.db2.gz XIVBOMGOUDIXPB-LLVKDONJSA-N 0 3 337.395 3.852 20 30 EHEDHN CCCCCCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000318888642 1044075123 /nfs/dbraw/zinc/07/51/23/1044075123.db2.gz HPAQRPHGWXQGRB-MRXNPFEDSA-N 0 3 327.465 3.994 20 30 EHEDHN Cc1oc(NC(=O)CNC2(c3ccccc3)CCCC2)c(C#N)c1C ZINC000183542082 1125591860 /nfs/dbraw/zinc/59/18/60/1125591860.db2.gz HLOOCAMQLGPCHO-UHFFFAOYSA-N 0 3 337.423 3.766 20 30 EHEDHN CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1OC ZINC000183602974 1125614335 /nfs/dbraw/zinc/61/43/35/1125614335.db2.gz QDNZZJXVKSTNGB-GOEBONIOSA-N 0 3 340.423 3.933 20 30 EHEDHN Cc1ccccc1[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(C)(C)C ZINC000180086198 1127118933 /nfs/dbraw/zinc/11/89/33/1127118933.db2.gz QTBXTJBVPXCINS-QUCCMNQESA-N 0 3 329.488 3.726 20 30 EHEDHN CC[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000182602790 1127338988 /nfs/dbraw/zinc/33/89/88/1127338988.db2.gz PFWYMDZHBXBBIW-MRXNPFEDSA-N 0 3 333.863 3.723 20 30 EHEDHN CO[C@@H](CN1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000338539044 1127788641 /nfs/dbraw/zinc/78/86/41/1127788641.db2.gz CUPLROMEFJUHGQ-NRFANRHFSA-N 0 3 336.435 3.789 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cc(C#N)ccc1F)c1ccco1 ZINC000888367824 1127970078 /nfs/dbraw/zinc/97/00/78/1127970078.db2.gz RDWXIINIVUIMTG-BLLLJJGKSA-N 0 3 344.390 3.541 20 30 EHEDHN C=CCCC[C@H](NC(=O)NCCN1CCCCC1)c1ccccc1 ZINC001687450127 1128155569 /nfs/dbraw/zinc/15/55/69/1128155569.db2.gz UQCINCVNJHXUQG-IBGZPJMESA-N 0 3 329.488 3.869 20 30 EHEDHN COCCCOCCN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091101656 1128450292 /nfs/dbraw/zinc/45/02/92/1128450292.db2.gz JYQBDJBDQZFLTD-UHFFFAOYSA-N 0 3 338.451 3.710 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3oc(CC)nc3c2)CC1 ZINC000106341021 1128491517 /nfs/dbraw/zinc/49/15/17/1128491517.db2.gz INBMKWYBQRQACQ-UHFFFAOYSA-N 0 3 342.443 3.552 20 30 EHEDHN CCN(CC)[C@@H](CNc1nnc(C)c(C)c1C#N)c1ccsc1 ZINC000301113117 1128573607 /nfs/dbraw/zinc/57/36/07/1128573607.db2.gz ZZZZUQFDDZMVLU-INIZCTEOSA-N 0 3 329.473 3.522 20 30 EHEDHN CN(C)[C@H](CNc1nc2c(cc1C#N)CCCC2)c1cccs1 ZINC000301113398 1128574279 /nfs/dbraw/zinc/57/42/79/1128574279.db2.gz XHBDLAIRKRWBPM-MRXNPFEDSA-N 0 3 326.469 3.608 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC000302184084 1128624604 /nfs/dbraw/zinc/62/46/04/1128624604.db2.gz SGIFSELYVKKBCE-CXAGYDPISA-N 0 3 326.831 3.539 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nc(Cl)c(C#N)s1 ZINC000307042078 1128808534 /nfs/dbraw/zinc/80/85/34/1128808534.db2.gz AQSOMQWLMVJZKF-AAEUAGOBSA-N 0 3 332.860 3.601 20 30 EHEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCCC(F)(F)C2)c1 ZINC000921858549 1128847803 /nfs/dbraw/zinc/84/78/03/1128847803.db2.gz FLGBYHWPHRTDBA-GFCCVEGCSA-N 0 3 329.188 3.988 20 30 EHEDHN CCCC(C)(C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000494404423 1120551054 /nfs/dbraw/zinc/55/10/54/1120551054.db2.gz JTKAVEFWNUQZLF-UHFFFAOYSA-N 0 3 329.488 3.665 20 30 EHEDHN CN(c1nccc(C#N)c1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000310123900 1128925361 /nfs/dbraw/zinc/92/53/61/1128925361.db2.gz IRHKQKAQWHTJAS-UHFFFAOYSA-N 0 3 340.858 3.707 20 30 EHEDHN C[C@@H](NCc1cccc(N2CCOC2=O)c1)c1ccc(C#N)c(F)c1 ZINC000494625012 1120704436 /nfs/dbraw/zinc/70/44/36/1120704436.db2.gz NOLXWTUTGYLNNN-CYBMUJFWSA-N 0 3 339.370 3.505 20 30 EHEDHN CCOc1ccc(O)c(/C=N\C[C@H](C)N2CCc3ccccc3C2)c1 ZINC000914558401 1120896116 /nfs/dbraw/zinc/89/61/16/1120896116.db2.gz VVYCCMBNRKAEIG-VOMLJKFNSA-N 0 3 338.451 3.657 20 30 EHEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000027208044 1120993704 /nfs/dbraw/zinc/99/37/04/1120993704.db2.gz YZHOXWPFKSBSTP-OAQYLSRUSA-N 0 3 346.430 3.583 20 30 EHEDHN Cc1csc(C2(NCCCOc3ccc(C#N)cc3)CCC2)n1 ZINC000763036314 1121661876 /nfs/dbraw/zinc/66/18/76/1121661876.db2.gz PCUSBKPEMWFZJD-UHFFFAOYSA-N 0 3 327.453 3.761 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cnc2c(c1)c(C)nn2C ZINC000194276773 1121831735 /nfs/dbraw/zinc/83/17/35/1121831735.db2.gz DEHQRTNUYHOFAB-UHFFFAOYSA-N 0 3 333.439 3.561 20 30 EHEDHN C=CCOc1ccc(CN(C)CCOc2ccccc2OC)cc1 ZINC000916987784 1122424508 /nfs/dbraw/zinc/42/45/08/1122424508.db2.gz IINFGLQGLOZKHY-UHFFFAOYSA-N 0 3 327.424 3.771 20 30 EHEDHN C=CCN1CC[C@@H](N[C@@H](c2cccc(Cl)c2)C2CCCC2)C1=O ZINC000499607831 1129075339 /nfs/dbraw/zinc/07/53/39/1129075339.db2.gz BYYHKKYSJWOJJD-QZTJIDSGSA-N 0 3 332.875 3.948 20 30 EHEDHN N#CCC[C@H](NCCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000556813506 1123134199 /nfs/dbraw/zinc/13/41/99/1123134199.db2.gz RWWHVEYTRLOVEJ-SFHVURJKSA-N 0 3 343.377 3.928 20 30 EHEDHN C=C(C)COc1cc(CN2CCCO[C@H](C(C)C)C2)ccc1OC ZINC000556980831 1123253094 /nfs/dbraw/zinc/25/30/94/1123253094.db2.gz JNWDPQNCHADETJ-FQEVSTJZSA-N 0 3 333.472 3.897 20 30 EHEDHN C#Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000920255704 1123344168 /nfs/dbraw/zinc/34/41/68/1123344168.db2.gz UMDZNWNOVMZGNJ-GOSISDBHSA-N 0 3 336.410 3.658 20 30 EHEDHN CN(CCC#N)c1ccc(CNCc2ccc3ccccc3n2)cc1 ZINC000921068104 1123456535 /nfs/dbraw/zinc/45/65/35/1123456535.db2.gz YZVXOFHIUOVFIR-UHFFFAOYSA-N 0 3 330.435 3.874 20 30 EHEDHN CC(C)c1ccc(C(C)(C)NCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000609358169 1123561868 /nfs/dbraw/zinc/56/18/68/1123561868.db2.gz NWLYCECGBIBBMN-UHFFFAOYSA-N 0 3 349.478 3.823 20 30 EHEDHN CC(C)c1ccc(C(C)(C)NCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000609358131 1123561877 /nfs/dbraw/zinc/56/18/77/1123561877.db2.gz KMSIQDWOVWXZGA-UHFFFAOYSA-N 0 3 341.499 3.977 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1)c1ccc(Cl)s1 ZINC000175107077 1123601704 /nfs/dbraw/zinc/60/17/04/1123601704.db2.gz INSLOPGKFSNTCO-PWSUYJOCSA-N 0 3 332.812 3.853 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cncc(-c3ccccc3)c2)CC1 ZINC000135400627 1123608919 /nfs/dbraw/zinc/60/89/19/1123608919.db2.gz BHYUPXNJMJZOAD-UHFFFAOYSA-N 0 3 335.451 3.519 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000609822822 1123670395 /nfs/dbraw/zinc/67/03/95/1123670395.db2.gz GBXDCGZKSWEPOR-INIZCTEOSA-N 0 3 339.483 3.780 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181314036 1124752759 /nfs/dbraw/zinc/75/27/59/1124752759.db2.gz JAZGCFKSPFXPNP-ZWKOTPCHSA-N 0 3 349.478 3.988 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1C ZINC000734963797 1131296687 /nfs/dbraw/zinc/29/66/87/1131296687.db2.gz NESDQWPYLJMZCS-FUHWJXTLSA-N 0 3 328.456 3.894 20 30 EHEDHN Cc1cc(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000618594544 1125124924 /nfs/dbraw/zinc/12/49/24/1125124924.db2.gz LMUMFYKXDFZYQI-MRXNPFEDSA-N 0 3 328.456 3.811 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000615320864 1125192827 /nfs/dbraw/zinc/19/28/27/1125192827.db2.gz YQSZSHXTCPHYCB-SJORKVTESA-N 0 3 330.472 3.714 20 30 EHEDHN C=CCCCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000735491773 1131353282 /nfs/dbraw/zinc/35/32/82/1131353282.db2.gz KOAPGPFKUPWCAI-UHFFFAOYSA-N 0 3 343.349 3.702 20 30 EHEDHN CC(C)(C)OC(=O)NC1(CNCc2csc(C#N)c2)CCCC1 ZINC000922243676 1129392667 /nfs/dbraw/zinc/39/26/67/1129392667.db2.gz DFSGVSCJRPJRPC-UHFFFAOYSA-N 0 3 335.473 3.547 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265858702 1129509997 /nfs/dbraw/zinc/50/99/97/1129509997.db2.gz RQCGXBVBCVNMQE-RVKKMQEKSA-N 0 3 343.471 3.854 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(CN(C)C)c1 ZINC000155693121 1129660587 /nfs/dbraw/zinc/66/05/87/1129660587.db2.gz REDRBNOSEYMRFG-UHFFFAOYSA-N 0 3 335.451 3.672 20 30 EHEDHN N#Cc1cccc(OCCN2CCC(OC3CCCCC3)CC2)c1 ZINC000125431565 1129691048 /nfs/dbraw/zinc/69/10/48/1129691048.db2.gz DMTQYSOOSWYEEO-UHFFFAOYSA-N 0 3 328.456 3.751 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000172216024 1130115411 /nfs/dbraw/zinc/11/54/11/1130115411.db2.gz LUOFVUQMBCXGQG-LJQANCHMSA-N 0 3 348.450 3.653 20 30 EHEDHN CN(C)c1ccccc1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000173667124 1130278882 /nfs/dbraw/zinc/27/88/82/1130278882.db2.gz LBVSOYYSXROMEM-UHFFFAOYSA-N 0 3 335.451 3.668 20 30 EHEDHN COc1cc([C@H](C)NCCSCc2ccccc2C#N)c(F)cn1 ZINC000348056578 1131144452 /nfs/dbraw/zinc/14/44/52/1131144452.db2.gz CGTGMPFGICDOMQ-ZDUSSCGKSA-N 0 3 345.443 3.685 20 30 EHEDHN CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC000734149433 1131199862 /nfs/dbraw/zinc/19/98/62/1131199862.db2.gz LNFMLFNGLINWJC-CQSZACIVSA-N 0 3 327.453 3.595 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CCCCCCC1 ZINC000741561065 1131618319 /nfs/dbraw/zinc/61/83/19/1131618319.db2.gz JELFXDULMBDWBB-UHFFFAOYSA-N 0 3 341.499 3.809 20 30 EHEDHN C=CCSc1nc2ccccc2n1CN1CCC(O)(CC)CC1 ZINC000742175827 1131697495 /nfs/dbraw/zinc/69/74/95/1131697495.db2.gz OSUIOTQBYPTBBE-UHFFFAOYSA-N 0 3 331.485 3.509 20 30 EHEDHN CCCCCCCC[C@@H](CC)N1CCN(CC(=O)NC(C)C)CC1 ZINC001172503734 1131762271 /nfs/dbraw/zinc/76/22/71/1131762271.db2.gz AIFKYEVBQNASGM-LJQANCHMSA-N 0 3 339.568 3.658 20 30 EHEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172717448 1131818493 /nfs/dbraw/zinc/81/84/93/1131818493.db2.gz GEBZOFAPBVJUQD-AABGKKOBSA-N 0 3 347.886 3.633 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1cccc(Cl)c1 ZINC000744027006 1132006956 /nfs/dbraw/zinc/00/69/56/1132006956.db2.gz FDJTXBBZPWTGAL-LRDDRELGSA-N 0 3 332.831 3.601 20 30 EHEDHN C=CCOC1CCC(NCc2cc(O)ccc2Br)CC1 ZINC001173316355 1132059540 /nfs/dbraw/zinc/05/95/40/1132059540.db2.gz HOHQQEVDKGIUEG-UHFFFAOYSA-N 0 3 340.261 3.758 20 30 EHEDHN COC(=O)CCCC[C@@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001173460661 1132083236 /nfs/dbraw/zinc/08/32/36/1132083236.db2.gz NRZIJLVEPJHCEV-MRXNPFEDSA-N 0 3 346.446 3.805 20 30 EHEDHN C[C@@H]1CN(C2CCC(C)(C#N)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001173596784 1132100022 /nfs/dbraw/zinc/10/00/22/1132100022.db2.gz CLOZTKJRAPGNJL-JOUKPKRSSA-N 0 3 335.492 3.789 20 30 EHEDHN C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000745170682 1132212828 /nfs/dbraw/zinc/21/28/28/1132212828.db2.gz JKWUHEDOBLTPKR-KGLIPLIRSA-N 0 3 327.453 3.595 20 30 EHEDHN N#Cc1ccccc1NC1CCN(CCc2ccc(F)c(F)c2)CC1 ZINC001174983306 1132535399 /nfs/dbraw/zinc/53/53/99/1132535399.db2.gz GLZCTZLTCUOIIZ-UHFFFAOYSA-N 0 3 341.405 3.955 20 30 EHEDHN CCN1CCN(c2ccc(Nc3scc(C)c3C#N)cc2)CC1 ZINC001175779369 1132764028 /nfs/dbraw/zinc/76/40/28/1132764028.db2.gz DTZGYFOTZSAHIP-UHFFFAOYSA-N 0 3 326.469 3.814 20 30 EHEDHN C#CCN(C[C@@H](O)COCc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001176452656 1132937723 /nfs/dbraw/zinc/93/77/23/1132937723.db2.gz LPHOTJHBQWDKNW-FYYLOGMGSA-N 0 3 349.474 3.577 20 30 EHEDHN N#Cc1ccc(C2CCN([C@H]3CCc4ccccc4NC3=O)CC2)cc1 ZINC001176577719 1132970171 /nfs/dbraw/zinc/97/01/71/1132970171.db2.gz GKHQXIZVCUSRLA-NRFANRHFSA-N 0 3 345.446 3.691 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc3nsnc32)c1 ZINC001177885303 1133109615 /nfs/dbraw/zinc/10/96/15/1133109615.db2.gz OQQOUMDHFFABOH-OAHLLOKOSA-N 0 3 338.436 3.662 20 30 EHEDHN C=CC[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccncc1 ZINC001177884148 1133109668 /nfs/dbraw/zinc/10/96/68/1133109668.db2.gz AUKYYXHBVULTNG-INIZCTEOSA-N 0 3 330.815 3.913 20 30 EHEDHN Cn1cc(CNCc2ccc3cc[nH]c3c2)c(-c2ccc(C#N)cc2)n1 ZINC001178463445 1133170727 /nfs/dbraw/zinc/17/07/27/1133170727.db2.gz QDAISXLKVKVVRX-UHFFFAOYSA-N 0 3 341.418 3.730 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H](F)c1ccccc1 ZINC000769280688 1133254457 /nfs/dbraw/zinc/25/44/57/1133254457.db2.gz CNHFJIGSEYQLHO-SWLSCSKDSA-N 0 3 348.736 3.837 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000769315210 1133260815 /nfs/dbraw/zinc/26/08/15/1133260815.db2.gz HSCNLSVDEXPSHM-DYESRHJHSA-N 0 3 336.435 3.941 20 30 EHEDHN C#CCOc1ccc(CN(C)[C@H]2CCCc3nc(C)sc32)cc1 ZINC000769402918 1133277614 /nfs/dbraw/zinc/27/76/14/1133277614.db2.gz AFSQJWCVXCTAMA-SFHVURJKSA-N 0 3 326.465 3.973 20 30 EHEDHN C[C@@H]1COCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000769454988 1133293845 /nfs/dbraw/zinc/29/38/45/1133293845.db2.gz CLOXSVCJXMIARW-KRWDZBQOSA-N 0 3 336.435 3.606 20 30 EHEDHN CSC=CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000771583270 1133573523 /nfs/dbraw/zinc/57/35/23/1133573523.db2.gz SEOGBDXBBTXMOM-WBSSQXGSSA-N 0 3 329.208 3.517 20 30 EHEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000772347286 1133677237 /nfs/dbraw/zinc/67/72/37/1133677237.db2.gz QGCJKAKIKQHRDC-MCIONIFRSA-N 0 3 327.453 3.735 20 30 EHEDHN C#CCN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCc2ccccc21 ZINC000772596697 1133706935 /nfs/dbraw/zinc/70/69/35/1133706935.db2.gz AATUQIMCIMKQDW-QHCPKHFHSA-N 0 3 346.474 3.646 20 30 EHEDHN C[C@H](NC[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(C#N)cc1F ZINC000787026173 1133939284 /nfs/dbraw/zinc/93/92/84/1133939284.db2.gz NCKLCCAWFNPGGI-BTDLBPIBSA-N 0 3 336.769 3.874 20 30 EHEDHN C#CCC1(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CCCCC1 ZINC000788192814 1134092344 /nfs/dbraw/zinc/09/23/44/1134092344.db2.gz JCBQMUXXBPSCAZ-UYAOXDASSA-N 0 3 338.495 3.912 20 30 EHEDHN COc1ccc(CNCc2ccc3c(c2)CCC(C)(C)O3)cc1C#N ZINC000746734649 1134097071 /nfs/dbraw/zinc/09/70/71/1134097071.db2.gz XTCUAEPYMWZTIQ-UHFFFAOYSA-N 0 3 336.435 3.960 20 30 EHEDHN Cc1ccnc(N2CCN(C3CCC(C(C)C)CC3)CC2)c1C#N ZINC001185612061 1134113695 /nfs/dbraw/zinc/11/36/95/1134113695.db2.gz VGDRXKMDVPPKJR-UHFFFAOYSA-N 0 3 326.488 3.599 20 30 EHEDHN C#CCC1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000788453611 1134126723 /nfs/dbraw/zinc/12/67/23/1134126723.db2.gz OOUALPDJEMZQBR-HXUWFJFHSA-N 0 3 338.495 3.693 20 30 EHEDHN Cc1c(CNCc2ccc(N(C)CCC#N)cc2)cccc1[N+](=O)[O-] ZINC000791000779 1134490979 /nfs/dbraw/zinc/49/09/79/1134490979.db2.gz ZXMSUWAQSOAMMR-UHFFFAOYSA-N 0 3 338.411 3.543 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc(F)c3F)nc21 ZINC000775241061 1134577193 /nfs/dbraw/zinc/57/71/93/1134577193.db2.gz VYQCKLWCHWNQJB-GFCCVEGCSA-N 0 3 325.318 3.569 20 30 EHEDHN N#CC(C(=O)CCc1cccc2c1OCO2)c1nccc2ccccc21 ZINC000792095950 1134654590 /nfs/dbraw/zinc/65/45/90/1134654590.db2.gz YPWRDIWWAHXAOF-KRWDZBQOSA-N 0 3 344.370 3.773 20 30 EHEDHN CC(C)(C)c1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001191132639 1134807589 /nfs/dbraw/zinc/80/75/89/1134807589.db2.gz LIYWSJVAZURJIM-OAHLLOKOSA-N 0 3 330.453 3.790 20 30 EHEDHN C=C(Br)CN[C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000792969602 1134833727 /nfs/dbraw/zinc/83/37/27/1134833727.db2.gz MLVGCCMRXVTIHD-NWDGAFQWSA-N 0 3 328.250 3.694 20 30 EHEDHN CCC1(CC)CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001191539858 1134881983 /nfs/dbraw/zinc/88/19/83/1134881983.db2.gz HRIZTCRRMQTPSQ-OHTSDLOESA-N 0 3 333.520 3.818 20 30 EHEDHN CCOC(=O)C(C#N)NC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC001191655095 1134900326 /nfs/dbraw/zinc/90/03/26/1134900326.db2.gz LABUEVRHLAMUNH-HNNXBMFYSA-N 0 3 331.416 3.510 20 30 EHEDHN C#CCOCCN(C)Cc1cc(Br)c2ccccc2c1 ZINC001193021929 1135090352 /nfs/dbraw/zinc/09/03/52/1135090352.db2.gz MHHWHZCIOBQCNK-UHFFFAOYSA-N 0 3 332.241 3.684 20 30 EHEDHN CC[C@H]1Cc2ccccc2CN1CCOc1ccc(C#N)cc1OC ZINC001193117224 1135103718 /nfs/dbraw/zinc/10/37/18/1135103718.db2.gz KYEGTDJNDRNYLN-IBGZPJMESA-N 0 3 336.435 3.783 20 30 EHEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001195946169 1135497652 /nfs/dbraw/zinc/49/76/52/1135497652.db2.gz IASCTAWKFDAHIX-SFANZJOMSA-N 0 3 331.504 3.594 20 30 EHEDHN COc1ccc(C(C)=NN[C@H]2CCSC2)cc1CN1CCCCC1 ZINC000807999978 1135602212 /nfs/dbraw/zinc/60/22/12/1135602212.db2.gz DKISQUFQCMNEGE-SFHVURJKSA-N 0 3 347.528 3.500 20 30 EHEDHN C#CC[C@@H]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC001197700862 1135727319 /nfs/dbraw/zinc/72/73/19/1135727319.db2.gz AEZXQMBCLXVJCS-CHWSQXEVSA-N 0 3 339.266 3.516 20 30 EHEDHN C=CCC[C@@H]1CCCN1CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC001198407135 1135811095 /nfs/dbraw/zinc/81/10/95/1135811095.db2.gz QOVOAAWNXZVHOB-WIYYLYMNSA-N 0 3 342.483 3.693 20 30 EHEDHN C#Cc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC000809594836 1135859919 /nfs/dbraw/zinc/85/99/19/1135859919.db2.gz BEORHIPBJVFQHT-QAPCUYQASA-N 0 3 328.456 3.546 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000809655414 1135865834 /nfs/dbraw/zinc/86/58/34/1135865834.db2.gz KDSDAKBPMQWZON-JXFKEZNVSA-N 0 3 338.451 3.827 20 30 EHEDHN C=CCOc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000809690023 1135866966 /nfs/dbraw/zinc/86/69/66/1135866966.db2.gz YMATVJVMOBHBLU-UHFFFAOYSA-N 0 3 333.815 3.909 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN2CCC[C@](C)(C#N)C2)CC1 ZINC000809974837 1135907555 /nfs/dbraw/zinc/90/75/55/1135907555.db2.gz MQRLJPGBSVHAGH-MBOZVWFJSA-N 0 3 349.519 3.943 20 30 EHEDHN N#Cc1ccc2c(c1)[C@H](NC[C@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000810215441 1135938464 /nfs/dbraw/zinc/93/84/64/1135938464.db2.gz FLVGMRSDVIHSHI-MSOLQXFVSA-N 0 3 346.352 3.585 20 30 EHEDHN CCN(CC)C(=O)[C@H](Cc1ccccc1)N[C@H](C)c1ccc(C#N)cc1 ZINC000776154283 1136005909 /nfs/dbraw/zinc/00/59/09/1136005909.db2.gz SBOZRUVMOQIXKF-UTKZUKDTSA-N 0 3 349.478 3.689 20 30 EHEDHN CCOc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1F ZINC000106243870 1136070804 /nfs/dbraw/zinc/07/08/04/1136070804.db2.gz FLNGTYKXGWRTSS-CQSZACIVSA-N 0 3 328.387 3.805 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@](C)(CC)c2ccccc2)CC1 ZINC000107848211 1136179144 /nfs/dbraw/zinc/17/91/44/1136179144.db2.gz SRVPQJVCWUAZCP-HXUWFJFHSA-N 0 3 329.488 3.652 20 30 EHEDHN N#CCCCC(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000813059472 1136283938 /nfs/dbraw/zinc/28/39/38/1136283938.db2.gz ABFWJNJJRKBFCM-INIZCTEOSA-N 0 3 347.374 3.820 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)C2CC3(C2)CCCCC3)cc1 ZINC000850761519 1136301945 /nfs/dbraw/zinc/30/19/45/1136301945.db2.gz NONPUFJXLKVDET-QGZVFWFLSA-N 0 3 340.423 3.703 20 30 EHEDHN CCN(CCC#N)C(=O)CN(Cc1ccc(F)cc1)C1CCCCC1 ZINC000338941661 1136430354 /nfs/dbraw/zinc/43/03/54/1136430354.db2.gz KYKIUZQNZRQKTI-UHFFFAOYSA-N 0 3 345.462 3.723 20 30 EHEDHN C=CCc1cc(CN2CCOC(C3CC3)(C3CC3)C2)c(O)c(OC)c1 ZINC000853582284 1136546466 /nfs/dbraw/zinc/54/64/66/1136546466.db2.gz JBLHCAYZFQLQSZ-UHFFFAOYSA-N 0 3 343.467 3.520 20 30 EHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815624933 1136620771 /nfs/dbraw/zinc/62/07/71/1136620771.db2.gz OBDFTXFRPKMJHB-ZDUSSCGKSA-N 0 3 327.384 3.593 20 30 EHEDHN Cc1ccn(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c(=O)c1C#N ZINC000776774733 1136661431 /nfs/dbraw/zinc/66/14/31/1136661431.db2.gz MTSIJUKJWGDNJU-HMXCVIKNSA-N 0 3 347.462 3.644 20 30 EHEDHN C=C[C@@H](CC)CC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC001135450033 1136687096 /nfs/dbraw/zinc/68/70/96/1136687096.db2.gz BKVKSEYESARRTM-QFBILLFUSA-N 0 3 330.472 3.551 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CNCc2cccc(OC)c2)ccc1OC ZINC000113347551 1136697224 /nfs/dbraw/zinc/69/72/24/1136697224.db2.gz HVKIGNGGVPOILL-KRWDZBQOSA-N 0 3 340.423 3.675 20 30 EHEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000817325121 1136797505 /nfs/dbraw/zinc/79/75/05/1136797505.db2.gz XUIWRAXONBUZOW-XLIONFOSSA-N 0 3 345.462 3.750 20 30 EHEDHN C=C(C)CN(CC)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000218683488 1136856108 /nfs/dbraw/zinc/85/61/08/1136856108.db2.gz IRILNRMVYMHIDX-CYBMUJFWSA-N 0 3 326.843 3.724 20 30 EHEDHN CC[C@@H](C)Oc1cc(C)ccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000819150278 1136914135 /nfs/dbraw/zinc/91/41/35/1136914135.db2.gz OLNOBKCEEZKIDS-OXQOHEQNSA-N 0 3 338.451 3.867 20 30 EHEDHN C=C[C@@H](C(=O)NC[C@@H](CC)N1CCc2ccccc2C1)c1ccccc1 ZINC001136201106 1136926414 /nfs/dbraw/zinc/92/64/14/1136926414.db2.gz VQEOPTZHTBFXQY-FGZHOGPDSA-N 0 3 348.490 3.909 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046588 1136935212 /nfs/dbraw/zinc/93/52/12/1136935212.db2.gz CENPHJCLESRKKJ-FQEVSTJZSA-N 0 3 333.435 3.792 20 30 EHEDHN Cc1ccc(COC(=O)C2CCN(Cc3ccccc3)CC2)cc1C#N ZINC000859565744 1137020064 /nfs/dbraw/zinc/02/00/64/1137020064.db2.gz AQZWLIKXQYPSJM-UHFFFAOYSA-N 0 3 348.446 3.822 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)C(C)(C)c2ccc(C#N)cc2)c1 ZINC000860448666 1137060694 /nfs/dbraw/zinc/06/06/94/1137060694.db2.gz WWFFBXBFGTVQDZ-UHFFFAOYSA-N 0 3 335.451 3.845 20 30 EHEDHN CCC[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(Cl)c1 ZINC000860477113 1137062118 /nfs/dbraw/zinc/06/21/18/1137062118.db2.gz APSFZTGLOMTQBZ-IRXDYDNUSA-N 0 3 346.858 3.991 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)nc21 ZINC000860554881 1137066148 /nfs/dbraw/zinc/06/61/48/1137066148.db2.gz CYGPZVHKYMKZAO-BURFUSLBSA-N 0 3 327.387 3.634 20 30 EHEDHN Cc1ccc(-c2n[nH]cc2CNCc2cccc(OCC#N)c2)cc1 ZINC000113347004 1137112261 /nfs/dbraw/zinc/11/22/61/1137112261.db2.gz OGBOJAQIHJGBEJ-UHFFFAOYSA-N 0 3 332.407 3.577 20 30 EHEDHN C#CC[C@@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000862444578 1137145077 /nfs/dbraw/zinc/14/50/77/1137145077.db2.gz CKMHOWFJXZWBCK-CYBMUJFWSA-N 0 3 329.241 3.843 20 30 EHEDHN C#Cc1cccc(CNCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000825226391 1137169662 /nfs/dbraw/zinc/16/96/62/1137169662.db2.gz GPTDAFZJYUSXNX-UHFFFAOYSA-N 0 3 327.811 3.772 20 30 EHEDHN CCCN(C)[C@H](CNC(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000794500295 1137179639 /nfs/dbraw/zinc/17/96/39/1137179639.db2.gz UKZCBCIVIQJJBP-MRXNPFEDSA-N 0 3 345.830 3.618 20 30 EHEDHN CC(C)O[C@@H](CN(C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844372151 1137213101 /nfs/dbraw/zinc/21/31/01/1137213101.db2.gz VNYDACBMYSWJBE-SFTDATJTSA-N 0 3 338.451 3.690 20 30 EHEDHN N#Cc1ccc(OCCCN2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000844384620 1137216219 /nfs/dbraw/zinc/21/62/19/1137216219.db2.gz VXHLFLQVHGWSLC-UHFFFAOYSA-N 0 3 342.336 3.694 20 30 EHEDHN CCc1ccc([C@@H](O)C/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])cc1 ZINC000794680468 1137225747 /nfs/dbraw/zinc/22/57/47/1137225747.db2.gz NPKYNPZKTYYGOA-ODLJZMMESA-N 0 3 340.467 3.953 20 30 EHEDHN CCCC[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000772927260 1137299345 /nfs/dbraw/zinc/29/93/45/1137299345.db2.gz DXYYJDCBDVUFOL-MRXNPFEDSA-N 0 3 349.450 3.870 20 30 EHEDHN N#Cc1ccccc1N1CCC(NCc2c(F)cccc2F)CC1 ZINC000865696384 1137304895 /nfs/dbraw/zinc/30/48/95/1137304895.db2.gz BKHTVVWOMTZHGZ-UHFFFAOYSA-N 0 3 327.378 3.595 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cn(Cc2ccccc2)cn1 ZINC001171197938 1137310194 /nfs/dbraw/zinc/31/01/94/1137310194.db2.gz FPCWSWFMCRYZBO-KRWDZBQOSA-N 0 3 330.435 3.524 20 30 EHEDHN CCC(CC)(CNCc1ccc(C#N)cc1F)NC(=O)OC(C)(C)C ZINC000772930372 1137310581 /nfs/dbraw/zinc/31/05/81/1137310581.db2.gz PKVGHLNCXRWWEP-UHFFFAOYSA-N 0 3 349.450 3.870 20 30 EHEDHN C#Cc1ccc(CN2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001144581556 1137311510 /nfs/dbraw/zinc/31/15/10/1137311510.db2.gz WMJLEUFAKXJROM-OAQYLSRUSA-N 0 3 342.483 3.795 20 30 EHEDHN C[C@H]1C[C@@H](CNCC2(C#N)CCCC2)CCN1C(=O)OC(C)(C)C ZINC000846009938 1137325438 /nfs/dbraw/zinc/32/54/38/1137325438.db2.gz FWZYIMUYYBDNGF-HOTGVXAUSA-N 0 3 335.492 3.696 20 30 EHEDHN C[C@@H](NC1CCN(c2ccccc2C#N)CC1)c1cn2ccccc2n1 ZINC000866448673 1137355734 /nfs/dbraw/zinc/35/57/34/1137355734.db2.gz JFAXBTIUBAYZES-MRXNPFEDSA-N 0 3 345.450 3.526 20 30 EHEDHN N#Cc1ccccc1N1CCC(N[C@H]2CCCc3scnc32)CC1 ZINC000866449127 1137355742 /nfs/dbraw/zinc/35/57/42/1137355742.db2.gz RXEUMOBXHKVXIX-INIZCTEOSA-N 0 3 338.480 3.651 20 30 EHEDHN C[C@H](NC1CCN(c2ccccc2C#N)CC1)c1cn2ccccc2n1 ZINC000866448672 1137355749 /nfs/dbraw/zinc/35/57/49/1137355749.db2.gz JFAXBTIUBAYZES-INIZCTEOSA-N 0 3 345.450 3.526 20 30 EHEDHN CCOc1ccc(N2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171230301 1137356015 /nfs/dbraw/zinc/35/60/15/1137356015.db2.gz CFZZXIOFPQCSOR-SFHVURJKSA-N 0 3 349.478 3.710 20 30 EHEDHN COc1ccc([C@@H](CNc2ccc(C#N)cc2C)N(C)C)cc1OC ZINC000846745571 1137364266 /nfs/dbraw/zinc/36/42/66/1137364266.db2.gz JLTGSSPOTXEPRU-GOSISDBHSA-N 0 3 339.439 3.599 20 30 EHEDHN Cc1ccc(-c2ccccc2)cc1NC(=N)c1ccc(C(N)=O)cc1 ZINC001171260533 1137380594 /nfs/dbraw/zinc/38/05/94/1137380594.db2.gz ISUVHMSVPJKCEN-UHFFFAOYSA-N 0 3 329.403 3.798 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cnccc2C)ccc1OC ZINC000772980467 1137406410 /nfs/dbraw/zinc/40/64/10/1137406410.db2.gz OYUXRVPGQZVPMP-RDJZCZTQSA-N 0 3 339.439 3.930 20 30 EHEDHN C[C@H](C#N)c1cccc(C(=O)N(C2CCCC2)C2CCN(C)CC2)c1 ZINC001148617548 1137429651 /nfs/dbraw/zinc/42/96/51/1137429651.db2.gz HARUHWLIPSULCO-MRXNPFEDSA-N 0 3 339.483 3.793 20 30 EHEDHN N=C(N[C@H]1CCc2cc(F)c(F)cc2C1)c1ccc2ccccc2n1 ZINC001171463028 1137490910 /nfs/dbraw/zinc/49/09/10/1137490910.db2.gz LTBPLCQKXJDYPY-HNNXBMFYSA-N 0 3 337.373 3.776 20 30 EHEDHN N#Cc1ccccc1O[C@@H]1CCCN([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171806674 1137513677 /nfs/dbraw/zinc/51/36/77/1137513677.db2.gz IVDFVAHKBGCHBR-ZWKOTPCHSA-N 0 3 336.410 3.708 20 30 EHEDHN Cc1cccc(N2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)c1C ZINC001172320617 1137547119 /nfs/dbraw/zinc/54/71/19/1137547119.db2.gz XBYXOUXLQBNBRD-GOSISDBHSA-N 0 3 333.479 3.928 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1ccn(Cc2ccccc2)n1 ZINC001172298029 1137548880 /nfs/dbraw/zinc/54/88/80/1137548880.db2.gz TWQZWJHTOFGVGW-KRWDZBQOSA-N 0 3 330.435 3.524 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000876585109 1137656280 /nfs/dbraw/zinc/65/62/80/1137656280.db2.gz ANNRPKUDZOPRSF-CQSZACIVSA-N 0 3 346.780 3.666 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000876683933 1137659062 /nfs/dbraw/zinc/65/90/62/1137659062.db2.gz YVOJNHITXAEXGT-OALUTQOASA-N 0 3 342.870 3.599 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000876893089 1137664695 /nfs/dbraw/zinc/66/46/95/1137664695.db2.gz ICYZSGIEAIHTIQ-NWDGAFQWSA-N 0 3 329.897 3.564 20 30 EHEDHN CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)[C@H](N)CCCCC#N ZINC000877428757 1137675987 /nfs/dbraw/zinc/67/59/87/1137675987.db2.gz YAZFKXCUAWQXNS-DLBZAZTESA-N 0 3 347.890 3.846 20 30 EHEDHN N#CCOc1ccc(CN2CCC3(Cc4ccccc4O3)CC2)cc1 ZINC001137121367 1137678960 /nfs/dbraw/zinc/67/89/60/1137678960.db2.gz HNXCQRMRPPZBFA-UHFFFAOYSA-N 0 3 334.419 3.559 20 30 EHEDHN C=CCC(C)(C)CNCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877549144 1137680945 /nfs/dbraw/zinc/68/09/45/1137680945.db2.gz HKHMQWAHMPTWFW-UHFFFAOYSA-N 0 3 349.475 3.701 20 30 EHEDHN CN(CCc1cccc(C#N)c1)Cc1c(C2CC2)nc2sccn12 ZINC000877704546 1137686473 /nfs/dbraw/zinc/68/64/73/1137686473.db2.gz QLRYEMYJGHILEO-UHFFFAOYSA-N 0 3 336.464 3.819 20 30 EHEDHN CC(=O)[C@](C#N)(CCN(C)C1Cc2ccccc2C1)c1ccccc1 ZINC000877991560 1137698780 /nfs/dbraw/zinc/69/87/80/1137698780.db2.gz BEUIKKHPGPPSEX-JOCHJYFZSA-N 0 3 332.447 3.526 20 30 EHEDHN C=CCN1C(=O)CCC12CCN(Cc1ccccc1OC(C)C)CC2 ZINC001137135518 1137725972 /nfs/dbraw/zinc/72/59/72/1137725972.db2.gz ABMXXKMUTXJTIR-UHFFFAOYSA-N 0 3 342.483 3.617 20 30 EHEDHN COC(=O)c1cc(CNC2(c3ccc(C#N)cc3)CCC2)ccc1C ZINC000878847490 1137729947 /nfs/dbraw/zinc/72/99/47/1137729947.db2.gz SAHSPQTXJNKIBT-UHFFFAOYSA-N 0 3 334.419 3.822 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690096 1137755406 /nfs/dbraw/zinc/75/54/06/1137755406.db2.gz HADSROZLJOIJHT-IBGZPJMESA-N 0 3 346.478 3.867 20 30 EHEDHN C[C@H](CC1CCCCC1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000114617847 1137784842 /nfs/dbraw/zinc/78/48/42/1137784842.db2.gz OHNULBBJIKALFB-QAPCUYQASA-N 0 3 326.440 3.618 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(OC)ccc2C2CC2)CC1 ZINC000880864367 1137792101 /nfs/dbraw/zinc/79/21/01/1137792101.db2.gz JGTGQSPDQOZTSD-UHFFFAOYSA-N 0 3 343.471 3.735 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCCSC)cc1 ZINC000131016878 1137845237 /nfs/dbraw/zinc/84/52/37/1137845237.db2.gz QPUZWUOPDWENEX-MRXNPFEDSA-N 0 3 332.469 3.820 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(SCC)cc2)CC1 ZINC000883342117 1137856012 /nfs/dbraw/zinc/85/60/12/1137856012.db2.gz LBOCCGMAJYAVPO-UHFFFAOYSA-N 0 3 347.528 3.638 20 30 EHEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cccc(Oc3ccccc3)c1)C2 ZINC000884046823 1137898728 /nfs/dbraw/zinc/89/87/28/1137898728.db2.gz SYRZDTIKRQTRSX-ZGOJQLDESA-N 0 3 347.418 3.557 20 30 EHEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc3c(c1)oc1ccccc13)C2 ZINC000884092553 1137906298 /nfs/dbraw/zinc/90/62/98/1137906298.db2.gz IGKSPNAECNFZES-YZGUTLMUSA-N 0 3 345.402 3.664 20 30 EHEDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885946883 1138027537 /nfs/dbraw/zinc/02/75/37/1138027537.db2.gz TWNATWSSTXXIAU-ZDUSSCGKSA-N 0 3 327.255 3.870 20 30 EHEDHN Cc1ccn(-c2ccccc2CNCc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000136401596 1138028873 /nfs/dbraw/zinc/02/88/73/1138028873.db2.gz BUNFYIHFNXNNNQ-QGZVFWFLSA-N 0 3 346.434 3.761 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CCC(Oc3ccccc3Cl)CC2)CCC1 ZINC000886083174 1138038812 /nfs/dbraw/zinc/03/88/12/1138038812.db2.gz HAEATLPIBWSORL-OAHLLOKOSA-N 0 3 348.874 3.628 20 30 EHEDHN COCCOc1ccc(CNCc2ccc(SC)c(C#N)c2)cc1 ZINC000886278779 1138063850 /nfs/dbraw/zinc/06/38/50/1138063850.db2.gz JDLKRYZGEJKWDZ-UHFFFAOYSA-N 0 3 342.464 3.595 20 30 EHEDHN CC[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc2ccccc21 ZINC000886918421 1138172528 /nfs/dbraw/zinc/17/25/28/1138172528.db2.gz ZKTLLNRUKHKBMR-PZJWPPBQSA-N 0 3 335.451 3.689 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(CCC(F)(F)F)CC1CC1 ZINC000084137543 1138177723 /nfs/dbraw/zinc/17/77/23/1138177723.db2.gz HGDIMAAFZUVTPM-UHFFFAOYSA-N 0 3 342.361 3.610 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cnn([C@@H](C)CC)c2C2CC2)CC1 ZINC000089819982 1138205886 /nfs/dbraw/zinc/20/58/86/1138205886.db2.gz XEMNMGIWUIFUSC-HNNXBMFYSA-N 0 3 344.503 3.502 20 30 EHEDHN COc1ccccc1COC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000092424153 1138227688 /nfs/dbraw/zinc/22/76/88/1138227688.db2.gz BICAVJXPZKSPGF-UHFFFAOYSA-N 0 3 336.435 3.748 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC(C)C)cc2F)CC1 ZINC000264353379 1138484874 /nfs/dbraw/zinc/48/48/74/1138484874.db2.gz FZAPBDKRIYVVCO-UHFFFAOYSA-N 0 3 349.450 3.775 20 30 EHEDHN C=CCN1CC[C@H](N[C@H](CCc2ccccc2)c2ccccc2)C1=O ZINC000337175265 1138485996 /nfs/dbraw/zinc/48/59/96/1138485996.db2.gz HUUUSNWVNRJYIM-RTWAWAEBSA-N 0 3 334.463 3.737 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2oc3ccc(F)cc3c2C)CC1 ZINC000264488455 1138533859 /nfs/dbraw/zinc/53/38/59/1138533859.db2.gz NMTRFRJRXMFPOS-UHFFFAOYSA-N 0 3 330.403 3.651 20 30 EHEDHN COc1cccc(C2(NCc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000150904952 1138991775 /nfs/dbraw/zinc/99/17/75/1138991775.db2.gz FUWIMZVAYXJOPX-UHFFFAOYSA-N 0 3 335.451 3.824 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173790538 1139378003 /nfs/dbraw/zinc/37/80/03/1139378003.db2.gz XCIWCPWUEIVHAR-JKSUJKDBSA-N 0 3 339.414 3.812 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000174311474 1139413166 /nfs/dbraw/zinc/41/31/66/1139413166.db2.gz CUFOZSFPHLTBPC-UHFFFAOYSA-N 0 3 341.377 3.563 20 30 EHEDHN Cc1ccc(Cl)cc1N1CC[C@@H](CNCc2ccc(C#N)o2)C1 ZINC000174336139 1139415072 /nfs/dbraw/zinc/41/50/72/1139415072.db2.gz DDILXVXJZORTQX-AWEZNQCLSA-N 0 3 329.831 3.729 20 30 EHEDHN CC(C)NC(=O)Nc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181544164 1139914202 /nfs/dbraw/zinc/91/42/02/1139914202.db2.gz SFILKEKLRJEVGB-HNNXBMFYSA-N 0 3 336.439 3.939 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000186329213 1140198033 /nfs/dbraw/zinc/19/80/33/1140198033.db2.gz YMZRKAVPWQATID-KRWDZBQOSA-N 0 3 339.483 3.590 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1N1CCOCC1 ZINC000186395463 1140201775 /nfs/dbraw/zinc/20/17/75/1140201775.db2.gz HZLUWFFJWLGPTP-KRWDZBQOSA-N 0 3 335.451 3.588 20 30 EHEDHN COc1ccc(CNCc2cc(C#N)n(C)c2)cc1OC1CCCC1 ZINC000190948020 1140427421 /nfs/dbraw/zinc/42/74/21/1140427421.db2.gz LDJJRBKQDQBIBB-UHFFFAOYSA-N 0 3 339.439 3.517 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192747960 1140549112 /nfs/dbraw/zinc/54/91/12/1140549112.db2.gz MUBNHDSHVPMYNG-CMKODMSKSA-N 0 3 344.499 3.557 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(OCC#N)cc1 ZINC000271453916 1141370989 /nfs/dbraw/zinc/37/09/89/1141370989.db2.gz ISOPZEUPVXJJBO-HUUCEWRRSA-N 0 3 349.434 3.520 20 30 EHEDHN CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCCOC1 ZINC000348711592 1141569450 /nfs/dbraw/zinc/56/94/50/1141569450.db2.gz GPRFMJLXTILOMG-FQEVSTJZSA-N 0 3 336.435 3.748 20 30 EHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cccc2cccnc21 ZINC000063754026 201050823 /nfs/dbraw/zinc/05/08/23/201050823.db2.gz KKPGPSSGUJUBFU-UHFFFAOYSA-N 0 3 331.419 3.755 20 30 EHEDHN CN(Cc1ccccn1)[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000275601918 564009557 /nfs/dbraw/zinc/00/95/57/564009557.db2.gz IIFSVUIVAARYNK-KRWDZBQOSA-N 0 3 340.496 3.501 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H](C)c1ccccc1 ZINC000735425774 599207135 /nfs/dbraw/zinc/20/71/35/599207135.db2.gz GNSDVRFZDQDJON-INIZCTEOSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H](C)c1ccccc1 ZINC000735425774 599207137 /nfs/dbraw/zinc/20/71/37/599207137.db2.gz GNSDVRFZDQDJON-INIZCTEOSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](C)c1ccccc1 ZINC000735425774 599207139 /nfs/dbraw/zinc/20/71/39/599207139.db2.gz GNSDVRFZDQDJON-INIZCTEOSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](C)c1ccccc1 ZINC000735425774 599207143 /nfs/dbraw/zinc/20/71/43/599207143.db2.gz GNSDVRFZDQDJON-INIZCTEOSA-N 0 3 333.439 3.658 20 30 EHEDHN Cc1ccc2nc(N3CCN(CC(C)C)CC3)c(C#N)c(Cl)c2c1 ZINC001164659824 719340727 /nfs/dbraw/zinc/34/07/27/719340727.db2.gz FJCTXFCFXBCKNT-UHFFFAOYSA-N 0 3 342.874 3.846 20 30 EHEDHN CC(C)C[N@H+](CCCC(C)(C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820087144 945346215 /nfs/dbraw/zinc/34/62/15/945346215.db2.gz LXFSNSVAEMIJNT-UHFFFAOYSA-N 0 3 340.475 3.655 20 30 EHEDHN CC(C)C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820087144 945346230 /nfs/dbraw/zinc/34/62/30/945346230.db2.gz LXFSNSVAEMIJNT-UHFFFAOYSA-N 0 3 340.475 3.655 20 30 EHEDHN CC(C)C[N@H+](CCCC(C)(C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820087144 945346246 /nfs/dbraw/zinc/34/62/46/945346246.db2.gz LXFSNSVAEMIJNT-UHFFFAOYSA-N 0 3 340.475 3.655 20 30 EHEDHN CC(C)C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820087144 945346259 /nfs/dbraw/zinc/34/62/59/945346259.db2.gz LXFSNSVAEMIJNT-UHFFFAOYSA-N 0 3 340.475 3.655 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001573342334 947542554 /nfs/dbraw/zinc/54/25/54/947542554.db2.gz WPFPORZWWTWZEG-MOPGFXCFSA-N 0 3 349.413 3.550 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001573342334 947542570 /nfs/dbraw/zinc/54/25/70/947542570.db2.gz WPFPORZWWTWZEG-MOPGFXCFSA-N 0 3 349.413 3.550 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001573342334 947542587 /nfs/dbraw/zinc/54/25/87/947542587.db2.gz WPFPORZWWTWZEG-MOPGFXCFSA-N 0 3 349.413 3.550 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001573342334 947542600 /nfs/dbraw/zinc/54/26/00/947542600.db2.gz WPFPORZWWTWZEG-MOPGFXCFSA-N 0 3 349.413 3.550 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCNC1(c2ccc(Cl)cc2)CC1 ZINC000557540122 1014137014 /nfs/dbraw/zinc/13/70/14/1014137014.db2.gz ZDUOPBAAUHNKIG-UHFFFAOYSA-N 0 3 345.855 3.881 20 30 EHEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000579751276 1014369850 /nfs/dbraw/zinc/36/98/50/1014369850.db2.gz GWKHVSZAPUQWEW-ICSRJNTNSA-N 0 3 329.488 3.544 20 30 EHEDHN Cc1cc2cc(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)oc2cc1C ZINC000430166519 1014529091 /nfs/dbraw/zinc/52/90/91/1014529091.db2.gz RBIHKLCPEYITBF-GOSISDBHSA-N 0 3 347.418 3.970 20 30 EHEDHN N#Cc1cccc(COc2cccc(CNC[C@@H](O)c3ccco3)c2)c1 ZINC000097356852 1014614812 /nfs/dbraw/zinc/61/48/12/1014614812.db2.gz LVXVRRBSRXYWPF-HXUWFJFHSA-N 0 3 348.402 3.553 20 30 EHEDHN C=CCOc1ccccc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000471135592 1014719177 /nfs/dbraw/zinc/71/91/77/1014719177.db2.gz CLRHSIRMKFPCSV-JXFKEZNVSA-N 0 3 338.451 3.673 20 30 EHEDHN CSc1ccc([C@H](CNCc2ccc(C#N)cc2F)N(C)C)cc1 ZINC000339590230 1015090182 /nfs/dbraw/zinc/09/01/82/1015090182.db2.gz GVGIGXLWDQVGHD-IBGZPJMESA-N 0 3 343.471 3.812 20 30 EHEDHN N#Cc1ccc(CNCCSCc2ccccc2C#N)c(F)c1 ZINC000343031431 1015881570 /nfs/dbraw/zinc/88/15/70/1015881570.db2.gz ANKUHFJTAWXOQP-UHFFFAOYSA-N 0 3 325.412 3.592 20 30 EHEDHN C=CCCC[C@H](C)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000538095990 1032140262 /nfs/dbraw/zinc/14/02/62/1032140262.db2.gz OEUQWLZHHSYBGC-HNNXBMFYSA-N 0 3 346.500 3.661 20 30 EHEDHN Cc1ccc([C@H](CNc2ccc(Cl)c(C#N)n2)N2CCCC2)o1 ZINC000067371095 1016229171 /nfs/dbraw/zinc/22/91/71/1016229171.db2.gz HGWOKVXGKFWSFJ-HNNXBMFYSA-N 0 3 330.819 3.757 20 30 EHEDHN C=C(CNCc1cc2c(cc1SC)OCCO2)c1ccccc1 ZINC000343754173 1032185208 /nfs/dbraw/zinc/18/52/08/1032185208.db2.gz BWLCMFMDLDCUEM-UHFFFAOYSA-N 0 3 327.449 3.983 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000538179406 1032198115 /nfs/dbraw/zinc/19/81/15/1032198115.db2.gz HYWWHRGNOJXVRP-UZLBHIALSA-N 0 3 329.488 3.762 20 30 EHEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000538315731 1032291563 /nfs/dbraw/zinc/29/15/63/1032291563.db2.gz NKLJDGWHPOBCHY-SFHVURJKSA-N 0 3 331.822 3.743 20 30 EHEDHN CCCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1OCC ZINC000905081768 1032333803 /nfs/dbraw/zinc/33/38/03/1032333803.db2.gz SIDFLPIRQVWGRE-OJNRTJSBSA-N 0 3 341.411 3.697 20 30 EHEDHN CC(C)[C@@H](NC1CCC(C)(C#N)CC1)c1nc(-c2cccnc2)no1 ZINC000449222436 1032340327 /nfs/dbraw/zinc/34/03/27/1032340327.db2.gz IBDUJLGNUUHFJR-KOHRHEQBSA-N 0 3 339.443 3.891 20 30 EHEDHN C[C@@H]1[C@@H](NC(=O)CC2(C#N)CCCCC2)CCN1Cc1ccccc1 ZINC000597654136 1032591081 /nfs/dbraw/zinc/59/10/81/1032591081.db2.gz QMQBIRKLGBXRKM-MJGOQNOKSA-N 0 3 339.483 3.630 20 30 EHEDHN CCOC(=O)C1(C(F)(F)F)CCN(CCCCC(C)(C)C#N)CC1 ZINC000932655492 1017104991 /nfs/dbraw/zinc/10/49/91/1017104991.db2.gz HWCNJXWBKJMIGF-UHFFFAOYSA-N 0 3 348.409 3.914 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593039858 1032676502 /nfs/dbraw/zinc/67/65/02/1032676502.db2.gz GUWFHOYPJKFXCO-CHWSQXEVSA-N 0 3 326.318 3.553 20 30 EHEDHN Cc1ncc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)[nH]1 ZINC000328679922 1018193259 /nfs/dbraw/zinc/19/32/59/1018193259.db2.gz UHUZJACJPYSKNV-OAHLLOKOSA-N 0 3 332.473 3.557 20 30 EHEDHN C[C@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(C#N)c1 ZINC000610344800 1018349488 /nfs/dbraw/zinc/34/94/88/1018349488.db2.gz IJXLFTWHCFFOAV-KKSFZXQISA-N 0 3 336.435 3.967 20 30 EHEDHN N#Cc1csc(CNCc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000177682730 1018378540 /nfs/dbraw/zinc/37/85/40/1018378540.db2.gz DQMYFSQOFVEIOQ-UHFFFAOYSA-N 0 3 337.404 3.755 20 30 EHEDHN CCN1CCN(c2ccc(NCc3cc(C#N)cs3)c(C)c2)CC1 ZINC000177687970 1018457623 /nfs/dbraw/zinc/45/76/23/1018457623.db2.gz SQKPMYFPZOQODC-UHFFFAOYSA-N 0 3 340.496 3.682 20 30 EHEDHN C[C@@H]1C[C@H]1c1noc(CC2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000593075174 1032768731 /nfs/dbraw/zinc/76/87/31/1032768731.db2.gz AOTQKLJEYAHVOG-RDTXWAMCSA-N 0 3 336.439 3.519 20 30 EHEDHN N#Cc1ccccc1CN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000513066012 1018744079 /nfs/dbraw/zinc/74/40/79/1018744079.db2.gz YYEHONSWUZCTJF-RBUKOAKNSA-N 0 3 328.362 3.926 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000579480058 1018774152 /nfs/dbraw/zinc/77/41/52/1018774152.db2.gz LFJGSTYHIIUWPG-OAQYLSRUSA-N 0 3 348.450 3.653 20 30 EHEDHN C[C@@H]1CC(F)(F)CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000528771049 1032790267 /nfs/dbraw/zinc/79/02/67/1032790267.db2.gz RZZYQVZIOZKVON-LLVKDONJSA-N 0 3 341.789 3.660 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000614397208 1018958884 /nfs/dbraw/zinc/95/88/84/1018958884.db2.gz BOYQOQDBOFOBDJ-IBGZPJMESA-N 0 3 334.419 3.975 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)NCC1(C#N)CCCC1)c1ccsc1 ZINC000593306147 1032857931 /nfs/dbraw/zinc/85/79/31/1032857931.db2.gz RQUZIDSJECNJGE-MRXNPFEDSA-N 0 3 348.516 3.514 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1[C@@H](C)c1ccccc1 ZINC000760355116 1032886595 /nfs/dbraw/zinc/88/65/95/1032886595.db2.gz AIVHWULAAZGIJF-KXBFYZLASA-N 0 3 344.418 3.994 20 30 EHEDHN Cc1cccc(CC2(O)CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000280303286 1020296475 /nfs/dbraw/zinc/29/64/75/1020296475.db2.gz FVKYLYOCPKXXHS-SFHVURJKSA-N 0 3 334.463 3.997 20 30 EHEDHN COCc1ccccc1/C=C(\C)CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897599771 1032893510 /nfs/dbraw/zinc/89/35/10/1032893510.db2.gz VFXHINKTCWFTLT-GHRIWEEISA-N 0 3 341.451 3.574 20 30 EHEDHN C=CCOc1ccccc1CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000093842212 1032909388 /nfs/dbraw/zinc/90/93/88/1032909388.db2.gz ARLMJPNYLWBQKQ-FQEVSTJZSA-N 0 3 345.483 3.802 20 30 EHEDHN Cc1ccccc1[C@H](NCC(=O)Nc1sccc1C#N)C(C)C ZINC000183222234 1020715929 /nfs/dbraw/zinc/71/59/29/1020715929.db2.gz QAJQNLINPPPYRR-QGZVFWFLSA-N 0 3 327.453 3.854 20 30 EHEDHN N#Cc1cccc(CNC[C@@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000602510058 1032945750 /nfs/dbraw/zinc/94/57/50/1032945750.db2.gz ITPLWUHNDYMLQD-IBGZPJMESA-N 0 3 340.858 3.533 20 30 EHEDHN C#CCC1(NCC(=O)Nc2ccc(N3CCCCCC3)cc2)CCC1 ZINC000933298603 1021042084 /nfs/dbraw/zinc/04/20/84/1021042084.db2.gz FFJRJVRXHKLJQB-UHFFFAOYSA-N 0 3 339.483 3.541 20 30 EHEDHN CC[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1cccc(Cl)c1 ZINC000341302416 1021396346 /nfs/dbraw/zinc/39/63/46/1021396346.db2.gz REMAWVASMUOTLQ-QANKJYHBSA-N 0 3 335.879 3.824 20 30 EHEDHN N#CC1(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000593654810 1033000134 /nfs/dbraw/zinc/00/01/34/1033000134.db2.gz PVABKBKRZXMODH-NVXWUHKLSA-N 0 3 327.428 3.980 20 30 EHEDHN C=CC1CCN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC000518981196 1021741100 /nfs/dbraw/zinc/74/11/00/1021741100.db2.gz NMKMSQNFHMTCLO-KRWDZBQOSA-N 0 3 335.517 3.739 20 30 EHEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000519909042 1021758597 /nfs/dbraw/zinc/75/85/97/1021758597.db2.gz FDNHFKQBXBCUQH-HXUWFJFHSA-N 0 3 335.451 3.648 20 30 EHEDHN CC[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)C ZINC000519103067 1021858511 /nfs/dbraw/zinc/85/85/11/1021858511.db2.gz MBGNMHYHNZTDEY-LJQANCHMSA-N 0 3 329.488 3.521 20 30 EHEDHN COc1ccc(C2CCN(Cc3cc(C#N)ccc3OC)CC2)cc1 ZINC000437582006 1021971699 /nfs/dbraw/zinc/97/16/99/1021971699.db2.gz XLBXAVPAMNNCOU-UHFFFAOYSA-N 0 3 336.435 3.955 20 30 EHEDHN C=C(C)COc1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000440132577 1021971915 /nfs/dbraw/zinc/97/19/15/1021971915.db2.gz BZHOLKOYHPBJNJ-LJQANCHMSA-N 0 3 328.456 3.987 20 30 EHEDHN CCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](CC)c1ccccc1 ZINC000520172800 1021988349 /nfs/dbraw/zinc/98/83/49/1021988349.db2.gz ZXFBOCGMIDKDAZ-AZUAARDMSA-N 0 3 327.472 3.658 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000593692729 1033027602 /nfs/dbraw/zinc/02/76/02/1033027602.db2.gz ZAAUUZJUIJBBSM-ZZCKCESHSA-N 0 3 326.440 3.839 20 30 EHEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000441339032 1022159317 /nfs/dbraw/zinc/15/93/17/1022159317.db2.gz HAGGVFMENHSAJX-CTNGQTDRSA-N 0 3 343.515 3.693 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@@H](CCc1ccccc1)c1ccccc1 ZINC000341577451 1022362468 /nfs/dbraw/zinc/36/24/68/1022362468.db2.gz VJJHXZVOTUBSCN-NRFANRHFSA-N 0 3 349.478 3.712 20 30 EHEDHN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C12CCCN1CCC2 ZINC000328853500 1022515771 /nfs/dbraw/zinc/51/57/71/1022515771.db2.gz SNYUMSGYTRCBLU-UHFFFAOYSA-N 0 3 338.455 3.979 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC000441484565 1022551087 /nfs/dbraw/zinc/55/10/87/1022551087.db2.gz JTFSJKPQZWETCB-AZUAARDMSA-N 0 3 339.483 3.815 20 30 EHEDHN COC(=O)c1[nH]c(CN[C@H](CCCC#N)c2ccccc2)cc1C ZINC000602668261 1033064479 /nfs/dbraw/zinc/06/44/79/1033064479.db2.gz DLHWGBMQHFRDMG-QGZVFWFLSA-N 0 3 325.412 3.635 20 30 EHEDHN CC(C)[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000330372236 1022568244 /nfs/dbraw/zinc/56/82/44/1022568244.db2.gz BFTGUQNMQMVAFS-YJBOKZPZSA-N 0 3 345.462 3.844 20 30 EHEDHN C=CCC(CC=C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000467371128 1022741858 /nfs/dbraw/zinc/74/18/58/1022741858.db2.gz SYTGITCWQJYCOG-UHFFFAOYSA-N 0 3 344.524 3.985 20 30 EHEDHN C[C@@H]1C[C@@H]1c1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000506260717 1022742330 /nfs/dbraw/zinc/74/23/30/1022742330.db2.gz ZQOWTKGSDRMQIE-UTKZUKDTSA-N 0 3 349.478 3.983 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189277318 1022995338 /nfs/dbraw/zinc/99/53/38/1022995338.db2.gz LYXCKJITULBKHK-UHFFFAOYSA-N 0 3 346.780 3.739 20 30 EHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000127384560 1023112547 /nfs/dbraw/zinc/11/25/47/1023112547.db2.gz RVDOFGHSCVBJEO-OAQYLSRUSA-N 0 3 336.435 3.748 20 30 EHEDHN N#Cc1ccc(CNCc2ccc(OC[C@@H]3CCCO3)cc2)cc1F ZINC000449735972 1033131797 /nfs/dbraw/zinc/13/17/97/1033131797.db2.gz TXFMDTGTFJANQD-IBGZPJMESA-N 0 3 340.398 3.545 20 30 EHEDHN C=CCC[C@@H](NCC(=O)Nc1nc2c(s1)CCC2)c1ccccc1 ZINC000341948542 1023716105 /nfs/dbraw/zinc/71/61/05/1023716105.db2.gz USFZTZYADOOLIR-OAHLLOKOSA-N 0 3 341.480 3.867 20 30 EHEDHN C[C@@H](NC1CCN(CC#N)CC1)c1cc(F)c(Cl)cc1Cl ZINC000610813612 1023738306 /nfs/dbraw/zinc/73/83/06/1023738306.db2.gz MLGGSBUGHOTEAU-SNVBAGLBSA-N 0 3 330.234 3.771 20 30 EHEDHN Cc1ccccc1[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000441533909 1024045273 /nfs/dbraw/zinc/04/52/73/1024045273.db2.gz OBFTUNYIQAJYHV-SFHVURJKSA-N 0 3 344.418 3.906 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000346062802 1024082132 /nfs/dbraw/zinc/08/21/32/1024082132.db2.gz HGIIUVYANDQECU-ZIAGYGMSSA-N 0 3 335.386 3.690 20 30 EHEDHN CCCn1ccnc1CCCN(C)CC#Cc1cccc(Cl)c1 ZINC000191487220 1024339484 /nfs/dbraw/zinc/33/94/84/1024339484.db2.gz UBCUXBSCAMMXSW-UHFFFAOYSA-N 0 3 329.875 3.863 20 30 EHEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000330201554 1024353776 /nfs/dbraw/zinc/35/37/76/1024353776.db2.gz XYPNVFLEGDWOSE-FJIDUMEYSA-N 0 3 330.476 3.539 20 30 EHEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000330221995 1024359635 /nfs/dbraw/zinc/35/96/35/1024359635.db2.gz RLHRIOABLSAJIH-MANSERQUSA-N 0 3 344.503 3.929 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000346136497 1024464750 /nfs/dbraw/zinc/46/47/50/1024464750.db2.gz RALUXNKKRDWVAP-ZIAGYGMSSA-N 0 3 335.386 3.690 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000342232332 1024497007 /nfs/dbraw/zinc/49/70/07/1024497007.db2.gz YDELXEACFYKPCG-XLIONFOSSA-N 0 3 341.499 3.906 20 30 EHEDHN C=C(C)[C@H](CC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21)OCC ZINC000281129651 1024682035 /nfs/dbraw/zinc/68/20/35/1024682035.db2.gz VYWIMGACDGFYEO-RLLQIKCJSA-N 0 3 342.483 3.501 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000097079361 1024978454 /nfs/dbraw/zinc/97/84/54/1024978454.db2.gz OJVIWTCIWKIFOS-RDTXWAMCSA-N 0 3 333.451 3.511 20 30 EHEDHN C=CCCCCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000515180036 1025076029 /nfs/dbraw/zinc/07/60/29/1025076029.db2.gz VKTXUBPMFLGYDD-UHFFFAOYSA-N 0 3 333.476 3.632 20 30 EHEDHN C[C@@H]1C[C@H](CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000435880045 1025197590 /nfs/dbraw/zinc/19/75/90/1025197590.db2.gz HELTWXIKPKHNQE-UWWQBHOKSA-N 0 3 327.472 3.527 20 30 EHEDHN CC(C)C[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000346998051 1025374701 /nfs/dbraw/zinc/37/47/01/1025374701.db2.gz VBXYZHSPGGNIRQ-INIZCTEOSA-N 0 3 333.863 3.579 20 30 EHEDHN CC[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)N1 ZINC000598530944 1033276081 /nfs/dbraw/zinc/27/60/81/1033276081.db2.gz ALSXUYOOJPGAOT-MAUKXSAKSA-N 0 3 349.434 3.563 20 30 EHEDHN N#C[C@H]1CC[C@H](NCc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000442787202 1025477170 /nfs/dbraw/zinc/47/71/70/1025477170.db2.gz VEWJDVSMLGHXJU-YJBOKZPZSA-N 0 3 325.456 3.987 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(SC)cc2)CC1 ZINC000281821328 1025537100 /nfs/dbraw/zinc/53/71/00/1025537100.db2.gz KDRWWHQQTSYRGN-OAHLLOKOSA-N 0 3 347.528 3.809 20 30 EHEDHN Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)n1 ZINC000329029383 1025574104 /nfs/dbraw/zinc/57/41/04/1025574104.db2.gz PFGWCYQBWBTYHY-NZSAHSFTSA-N 0 3 340.471 3.505 20 30 EHEDHN N#Cc1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000892225124 1025634005 /nfs/dbraw/zinc/63/40/05/1025634005.db2.gz MTAGWWOGBANNIM-SJLPKXTDSA-N 0 3 330.428 3.847 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOCC(F)(F)C(F)(F)F ZINC000425534364 1025679168 /nfs/dbraw/zinc/67/91/68/1025679168.db2.gz LVYBNFFXHPPKBF-NSHDSACASA-N 0 3 336.304 3.765 20 30 EHEDHN COc1cccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)N(C)C)c1 ZINC000121784011 1025775660 /nfs/dbraw/zinc/77/56/60/1025775660.db2.gz QOTJADFUNZNKAI-BOURKTIISA-N 0 3 349.434 3.671 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccccc2SC)CC1 ZINC000281973562 1025827889 /nfs/dbraw/zinc/82/78/89/1025827889.db2.gz VTZISZYSJFPMPR-HNNXBMFYSA-N 0 3 347.528 3.809 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1nccc2ccccc21 ZINC000113650816 1025938527 /nfs/dbraw/zinc/93/85/27/1025938527.db2.gz YPCOXXNEPVDBAJ-HNNXBMFYSA-N 0 3 326.359 3.612 20 30 EHEDHN C[C@H](NC(=O)Nc1nc2c(s1)CCCC2(C)C)C1=CCN(C)CC1 ZINC000329565898 1026011387 /nfs/dbraw/zinc/01/13/87/1026011387.db2.gz KQJOZBGZIVNDLO-LBPRGKRZSA-N 0 3 348.516 3.733 20 30 EHEDHN CN(C)[C@H](CNc1nc2c(cc1C#N)CCC2)c1ccc(Cl)cc1 ZINC000530617960 1026143437 /nfs/dbraw/zinc/14/34/37/1026143437.db2.gz ZHUQZZNHLBYVSR-GOSISDBHSA-N 0 3 340.858 3.810 20 30 EHEDHN C=CCC[C@@H](C(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000452174432 1026523845 /nfs/dbraw/zinc/52/38/45/1026523845.db2.gz QBJWLAJMTNOGPY-YLJYHZDGSA-N 0 3 326.484 3.679 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000684929501 1026687197 /nfs/dbraw/zinc/68/71/97/1026687197.db2.gz MHKSYRAJMKSUPJ-IEBWSBKVSA-N 0 3 329.488 3.647 20 30 EHEDHN Cc1cc(C(C#N)C(=O)c2csc3c2CC[C@@H](C)C3)nc(C)n1 ZINC000075442546 1027132263 /nfs/dbraw/zinc/13/22/63/1027132263.db2.gz FBGPKMPOXASPQA-YGRLFVJLSA-N 0 3 325.437 3.770 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)CC1 ZINC000455483348 1028252272 /nfs/dbraw/zinc/25/22/72/1028252272.db2.gz DYNNGIYZKWWPQB-ZDUSSCGKSA-N 0 3 340.389 3.733 20 30 EHEDHN CC(C)Sc1c(Cl)cccc1NC(=O)[C@H](N)CCCC#N ZINC000424079132 1028778931 /nfs/dbraw/zinc/77/89/31/1028778931.db2.gz FMNKBCJOGBXOCF-GFCCVEGCSA-N 0 3 325.865 3.800 20 30 EHEDHN N#Cc1ccc(N2CCC(N[C@H]3C[C@@]3(F)c3ccccc3)CC2)cc1 ZINC000424184572 1028855971 /nfs/dbraw/zinc/85/59/71/1028855971.db2.gz MWRWBFPDBMKTPM-LEWJYISDSA-N 0 3 335.426 3.754 20 30 EHEDHN Cc1c(CNC(=O)[C@@H](N)CCCC#N)sc2ccc(Cl)cc12 ZINC000424189956 1028878479 /nfs/dbraw/zinc/87/84/79/1028878479.db2.gz NHVVMPBVDSTKRI-ZDUSSCGKSA-N 0 3 335.860 3.501 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](C)c2ccccc2)c1 ZINC000154263798 1029079570 /nfs/dbraw/zinc/07/95/70/1029079570.db2.gz NAOPGFOGTZALAF-SFHVURJKSA-N 0 3 335.451 3.901 20 30 EHEDHN C=CCN(Cc1ccccc1)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000508552608 1029359681 /nfs/dbraw/zinc/35/96/81/1029359681.db2.gz NQVPJBKYUPQNTO-QGZVFWFLSA-N 0 3 339.435 3.815 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000524668863 1029428970 /nfs/dbraw/zinc/42/89/70/1029428970.db2.gz AXWPQDFFTFBGAD-NZSAHSFTSA-N 0 3 335.536 3.787 20 30 EHEDHN C[C@H](NCc1ccc(Oc2cnccn2)cc1)c1ccc(C#N)cc1 ZINC000343192843 1029700781 /nfs/dbraw/zinc/70/07/81/1029700781.db2.gz OVSUCJKLVRZTRF-HNNXBMFYSA-N 0 3 330.391 3.991 20 30 EHEDHN C=C(C)c1cccc(NC(=O)N(CCN(C)C)Cc2ccccn2)c1 ZINC000934879711 1029728725 /nfs/dbraw/zinc/72/87/25/1029728725.db2.gz TXOBCTLIJHRMDC-UHFFFAOYSA-N 0 3 338.455 3.710 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(OCC)ccc2Cl)CC1 ZINC000455771537 1029918849 /nfs/dbraw/zinc/91/88/49/1029918849.db2.gz LSDSTCDPZOUDGQ-UHFFFAOYSA-N 0 3 337.851 3.511 20 30 EHEDHN N#CC(C(=O)C=Cc1ccccc1Cl)c1nnc2n1CCCCC2 ZINC000255569893 1030056438 /nfs/dbraw/zinc/05/64/38/1030056438.db2.gz ZWNWNRSMDHTYCF-CMUBDUJZSA-N 0 3 340.814 3.548 20 30 EHEDHN C[C@H](NCC(=O)NCc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000525952397 1030248894 /nfs/dbraw/zinc/24/88/94/1030248894.db2.gz YCQIAGWVFJEFJB-AWEZNQCLSA-N 0 3 349.459 3.740 20 30 EHEDHN CC[C@@H](N[C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447546101 1030281285 /nfs/dbraw/zinc/28/12/85/1030281285.db2.gz YYSBQDGPPWFPKW-UXHICEINSA-N 0 3 335.451 3.819 20 30 EHEDHN COc1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1C#N ZINC000453578081 1030370687 /nfs/dbraw/zinc/37/06/87/1030370687.db2.gz PRWVESYIXYYOSA-UHFFFAOYSA-N 0 3 348.446 3.631 20 30 EHEDHN C[C@@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H](C)CN1C ZINC000482527889 1030508018 /nfs/dbraw/zinc/50/80/18/1030508018.db2.gz GAPQQUIXDYMCFO-MSOLQXFVSA-N 0 3 349.478 3.662 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000171563529 1030795736 /nfs/dbraw/zinc/79/57/36/1030795736.db2.gz WOYRQKKWFJRRNU-CZAAIQMYSA-N 0 3 336.435 3.987 20 30 EHEDHN CCC(CC)[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000583802851 1030805585 /nfs/dbraw/zinc/80/55/85/1030805585.db2.gz QTUVZCYHWPDXDT-IBGZPJMESA-N 0 3 333.439 3.868 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC(C)C ZINC000172171357 1030842297 /nfs/dbraw/zinc/84/22/97/1030842297.db2.gz BGJYXBQIOMOCHC-HNNXBMFYSA-N 0 3 333.501 3.997 20 30 EHEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccncc1F ZINC000340473544 1030860109 /nfs/dbraw/zinc/86/01/09/1030860109.db2.gz KUYAURYWNALEIG-DZGCQCFKSA-N 0 3 342.393 3.551 20 30 EHEDHN C=CCCN(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000527511976 1030960340 /nfs/dbraw/zinc/96/03/40/1030960340.db2.gz LJDGEXVXOSRYKE-UHFFFAOYSA-N 0 3 342.277 3.607 20 30 EHEDHN C=CCN(CCOC)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000483422764 1031157896 /nfs/dbraw/zinc/15/78/96/1031157896.db2.gz RMKWOVGTYIHZRG-UHFFFAOYSA-N 0 3 340.467 3.912 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Br)c(F)c1F ZINC000527716729 1031177428 /nfs/dbraw/zinc/17/74/28/1031177428.db2.gz QVBMUMCVVGSTDJ-NEPJUHHUSA-N 0 3 332.188 3.551 20 30 EHEDHN COCc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000527813554 1031250588 /nfs/dbraw/zinc/25/05/88/1031250588.db2.gz XPAVNMGGUCHACR-UHFFFAOYSA-N 0 3 336.435 3.500 20 30 EHEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC[C@@H](C2CC2)C1 ZINC000329607142 1031321437 /nfs/dbraw/zinc/32/14/37/1031321437.db2.gz BISUVLQVOXVYSU-GDBMZVCRSA-N 0 3 344.455 3.946 20 30 EHEDHN CSCC[C@H](NCCCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000278550298 1031342094 /nfs/dbraw/zinc/34/20/94/1031342094.db2.gz AVQJEAFLTGKOPC-HNNXBMFYSA-N 0 3 345.516 3.833 20 30 EHEDHN CC(C)C[C@@H](C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000340513802 1031579684 /nfs/dbraw/zinc/57/96/84/1031579684.db2.gz UVVDOFYNGANKRZ-QGZVFWFLSA-N 0 3 329.488 3.521 20 30 EHEDHN Cc1ccccc1[C@@H](C)N(CC(=O)N[C@](C)(C#N)C1CC1)CC(C)C ZINC000551723257 1031601843 /nfs/dbraw/zinc/60/18/43/1031601843.db2.gz ZARVEMGNNRXMDU-DYESRHJHSA-N 0 3 341.499 3.823 20 30 EHEDHN CC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(C)cc1 ZINC000192775549 1031645735 /nfs/dbraw/zinc/64/57/35/1031645735.db2.gz DHMLPUXTXDKUEE-QGZVFWFLSA-N 0 3 325.412 3.756 20 30 EHEDHN C[C@H]1[C@@H](NC(=O)Nc2cccc(CC#N)c2)CCN1Cc1ccccc1 ZINC000455904025 1031752509 /nfs/dbraw/zinc/75/25/09/1031752509.db2.gz JFPRWGKNMFVVEB-JXFKEZNVSA-N 0 3 348.450 3.537 20 30 EHEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180910056 1031924848 /nfs/dbraw/zinc/92/48/48/1031924848.db2.gz FDJKIOZHGYRQMB-QGZVFWFLSA-N 0 3 335.451 3.600 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC1CCCCC1 ZINC000219617967 1032051993 /nfs/dbraw/zinc/05/19/93/1032051993.db2.gz IMKKJKFCJICPHS-MRXNPFEDSA-N 0 3 345.462 3.973 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594429985 1033366410 /nfs/dbraw/zinc/36/64/10/1033366410.db2.gz YQXCYIDJTRGWNU-DYVFJYSZSA-N 0 3 333.863 3.803 20 30 EHEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1OCCC(C)C ZINC000594432551 1033369835 /nfs/dbraw/zinc/36/98/35/1033369835.db2.gz CTWGYHJRWIUTNY-KRWDZBQOSA-N 0 3 331.460 3.770 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000594445138 1033378295 /nfs/dbraw/zinc/37/82/95/1033378295.db2.gz AQHQSNRUKJAGGT-CQSZACIVSA-N 0 3 327.350 3.531 20 30 EHEDHN COc1cc(NC(=O)[C@@H](N)CCCCC#N)c(C2CC2)cc1Cl ZINC000594455794 1033380807 /nfs/dbraw/zinc/38/08/07/1033380807.db2.gz LOJLSAFQJOMTHS-AWEZNQCLSA-N 0 3 335.835 3.576 20 30 EHEDHN CCc1ccc(-c2csc(NC(=O)[C@H](N)CCCCC#N)n2)cc1 ZINC000594427951 1033388098 /nfs/dbraw/zinc/38/80/98/1033388098.db2.gz YMFPYJQVBCNVFK-OAHLLOKOSA-N 0 3 342.468 3.722 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000594425634 1033388545 /nfs/dbraw/zinc/38/85/45/1033388545.db2.gz AWDIRLULUFJOPK-IBGZPJMESA-N 0 3 327.472 3.759 20 30 EHEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cc(F)c(Cl)cc1Cl ZINC000594425303 1033389275 /nfs/dbraw/zinc/38/92/75/1033389275.db2.gz HIPKLXVEGKZFMH-XPTSAGLGSA-N 0 3 346.233 3.721 20 30 EHEDHN COC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(CC#N)cc1)CCC2 ZINC000594506989 1033407118 /nfs/dbraw/zinc/40/71/18/1033407118.db2.gz JKCJHEGRLCGUKM-FQEVSTJZSA-N 0 3 334.419 3.706 20 30 EHEDHN COCCOc1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594518499 1033424318 /nfs/dbraw/zinc/42/43/18/1033424318.db2.gz GUYYAHTZESQYFX-UHFFFAOYSA-N 0 3 336.435 3.752 20 30 EHEDHN COCc1cc(C#N)ccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000603276604 1033498580 /nfs/dbraw/zinc/49/85/80/1033498580.db2.gz QPKNRGLXFAUHLC-GOSISDBHSA-N 0 3 325.412 3.547 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2ccccc2)cc1 ZINC000173790917 1033527708 /nfs/dbraw/zinc/52/77/08/1033527708.db2.gz KGQPQMHOMXTWQM-ROUUACIJSA-N 0 3 335.451 3.981 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000106037854 1033530911 /nfs/dbraw/zinc/53/09/11/1033530911.db2.gz LGNGLTGUXJZCLW-UHFFFAOYSA-N 0 3 327.255 3.764 20 30 EHEDHN COc1cc(CNC(C)(C)c2cccc(C#N)c2)cc(OC)c1OC ZINC000594969819 1033576922 /nfs/dbraw/zinc/57/69/22/1033576922.db2.gz XICLKNGNQJKDBL-UHFFFAOYSA-N 0 3 340.423 3.609 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC2CC2)c2ccccc2)CC1 ZINC000608426171 1033678866 /nfs/dbraw/zinc/67/88/66/1033678866.db2.gz PQXXRBOIAKBJSA-FQEVSTJZSA-N 0 3 341.499 3.868 20 30 EHEDHN N#CC1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000595091411 1033699050 /nfs/dbraw/zinc/69/90/50/1033699050.db2.gz QIFAOLICJZDLRY-QGZVFWFLSA-N 0 3 327.428 3.980 20 30 EHEDHN C=CCC[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000574982596 1033748836 /nfs/dbraw/zinc/74/88/36/1033748836.db2.gz DGQZBAGPMQCHRN-SWLSCSKDSA-N 0 3 349.418 3.735 20 30 EHEDHN N#CC(C(=O)C[C@H]1CCc2sccc2C1=O)c1nc2ccccc2[nH]1 ZINC000892420908 1033820873 /nfs/dbraw/zinc/82/08/73/1033820873.db2.gz ZXWWPBXSZMHVLJ-DGCLKSJQSA-N 0 3 349.415 3.636 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(CCCC2)C1 ZINC000174265086 1033855191 /nfs/dbraw/zinc/85/51/91/1033855191.db2.gz HIVXCFANEHJLFX-MRXNPFEDSA-N 0 3 343.446 3.727 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1csc(CC(=O)OC(C)C)n1 ZINC000595605048 1033917646 /nfs/dbraw/zinc/91/76/46/1033917646.db2.gz UJZJGYJQIAHKEN-GDBMZVCRSA-N 0 3 336.501 3.862 20 30 EHEDHN Cc1ccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1C#N ZINC000599423332 1033918206 /nfs/dbraw/zinc/91/82/06/1033918206.db2.gz CEANFENVPIHESR-JOCHJYFZSA-N 0 3 334.463 3.684 20 30 EHEDHN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595610367 1033919791 /nfs/dbraw/zinc/91/97/91/1033919791.db2.gz XBYQTDUIYPOQRE-PKOBYXMFSA-N 0 3 344.499 3.658 20 30 EHEDHN N#CC[C@H]1CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000595614746 1033926332 /nfs/dbraw/zinc/92/63/32/1033926332.db2.gz NINBHBVNAIDJMT-CYBMUJFWSA-N 0 3 330.819 3.558 20 30 EHEDHN C=CC[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000595661270 1033939232 /nfs/dbraw/zinc/93/92/32/1033939232.db2.gz XYWXRRYUQDNJEL-UONOGXRCSA-N 0 3 342.399 3.994 20 30 EHEDHN N#Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c(Cl)c1 ZINC000593101988 1033942440 /nfs/dbraw/zinc/94/24/40/1033942440.db2.gz MUWGWACQLPVGAA-GHMZBOCLSA-N 0 3 346.736 3.898 20 30 EHEDHN N#Cc1cc2cccnc2nc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000596053101 1034054350 /nfs/dbraw/zinc/05/43/50/1034054350.db2.gz LUSLVWRFYPCIQL-INIZCTEOSA-N 0 3 349.463 3.812 20 30 EHEDHN CC[C@@H](NCC(=O)Nc1sccc1C#N)c1cc(C)ccc1C ZINC000599641567 1034066953 /nfs/dbraw/zinc/06/69/53/1034066953.db2.gz UZXKCZHJPKCBIV-MRXNPFEDSA-N 0 3 327.453 3.916 20 30 EHEDHN CCN(CC)[C@@H](CNc1cc(C)c([N+](=O)[O-])c(C#N)c1)c1ccco1 ZINC000596093078 1034079122 /nfs/dbraw/zinc/07/91/22/1034079122.db2.gz QFXFDUICGAOWDH-INIZCTEOSA-N 0 3 342.399 3.863 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCCC3(CC3)CC2)c1C ZINC000599673343 1034079896 /nfs/dbraw/zinc/07/98/96/1034079896.db2.gz PCGQWUQMNYSWTH-UHFFFAOYSA-N 0 3 339.483 3.816 20 30 EHEDHN C[C@@H](CCc1ccccc1)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000604012549 1034134943 /nfs/dbraw/zinc/13/49/43/1034134943.db2.gz ONFWPWJBSJSEPM-IBGZPJMESA-N 0 3 333.479 3.697 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2nc(C#N)c(Cl)s2)C1 ZINC000596257922 1034152678 /nfs/dbraw/zinc/15/26/78/1034152678.db2.gz UMNSQQNLTRGRQX-CYBMUJFWSA-N 0 3 346.887 3.626 20 30 EHEDHN C=C[C@H](CO)N[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000658335244 1034203904 /nfs/dbraw/zinc/20/39/04/1034203904.db2.gz OXYSWPCWEHBNCY-QPUJVOFHSA-N 0 3 327.268 3.922 20 30 EHEDHN N#Cc1ccc(NCC2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000596441101 1034245146 /nfs/dbraw/zinc/24/51/46/1034245146.db2.gz NIKRYDWXZNJZCV-UHFFFAOYSA-N 0 3 340.858 3.931 20 30 EHEDHN N#Cc1cc(Cl)ccc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596439840 1034245517 /nfs/dbraw/zinc/24/55/17/1034245517.db2.gz HFSKBGYPBQGUIQ-UHFFFAOYSA-N 0 3 340.858 3.931 20 30 EHEDHN CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CCN(C)C1 ZINC000596734039 1034368603 /nfs/dbraw/zinc/36/86/03/1034368603.db2.gz WNWRYPNDGJHIHF-GJZGRUSLSA-N 0 3 346.500 3.639 20 30 EHEDHN COc1ccc(CN2CCC(OC(C)C)CC2)cc1OCCCC#N ZINC000534343162 1034414019 /nfs/dbraw/zinc/41/40/19/1034414019.db2.gz LEVLESQKNOKZQD-UHFFFAOYSA-N 0 3 346.471 3.767 20 30 EHEDHN Cc1ccc([C@@H](CNC(=O)CC2(C#N)CCCCC2)N(C)C)cc1 ZINC000596970483 1034472297 /nfs/dbraw/zinc/47/22/97/1034472297.db2.gz KNRVAYCIHCWAQN-GOSISDBHSA-N 0 3 327.472 3.578 20 30 EHEDHN Cc1cc(C)c(-c2csc(NC(=O)[C@@H](N)CCCC#N)n2)c(C)c1 ZINC000584464022 1034553130 /nfs/dbraw/zinc/55/31/30/1034553130.db2.gz JUHXFOLDZQYQJG-AWEZNQCLSA-N 0 3 342.468 3.695 20 30 EHEDHN C[C@@H]1C[C@H](NC(=O)CC2(C#N)CCCCC2)CN1Cc1ccccc1 ZINC000597371129 1034722181 /nfs/dbraw/zinc/72/21/81/1034722181.db2.gz BEOPBMFCZITSCV-MJGOQNOKSA-N 0 3 339.483 3.630 20 30 EHEDHN CC1(C)CO[C@@H](CCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000892490312 1034838842 /nfs/dbraw/zinc/83/88/42/1034838842.db2.gz SICDCKPBJJTVCH-STQMWFEESA-N 0 3 348.830 3.583 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CC(Cc3ccccc3)(c3ccccc3)C2)CC1 ZINC000601961662 1034840485 /nfs/dbraw/zinc/84/04/85/1034840485.db2.gz YXLMVHLJVPGGAL-OAQYLSRUSA-N 0 3 346.474 3.537 20 30 EHEDHN Cn1cc(CN2CCC[C@H]2c2cccn2C)c(-c2ccc(C#N)cc2)n1 ZINC000179887736 1034965744 /nfs/dbraw/zinc/96/57/44/1034965744.db2.gz QTTFOODDVPGPFM-FQEVSTJZSA-N 0 3 345.450 3.634 20 30 EHEDHN C[C@H]1CCN(Cc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000180075344 1035370030 /nfs/dbraw/zinc/37/00/30/1035370030.db2.gz BZSHEIJXAZBIBO-INIZCTEOSA-N 0 3 325.481 3.716 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000431723547 1035370322 /nfs/dbraw/zinc/37/03/22/1035370322.db2.gz POOWUJXZKJQEAD-IBGZPJMESA-N 0 3 348.450 3.605 20 30 EHEDHN N#CC(C(=O)c1cccc(OC(F)F)c1)c1cnc2ccccc2n1 ZINC000190924107 1036305524 /nfs/dbraw/zinc/30/55/24/1036305524.db2.gz HUKFDCGCXSDYBP-CYBMUJFWSA-N 0 3 339.301 3.721 20 30 EHEDHN N#CC(C(=O)C[C@H]1C=CCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129674061 1036397074 /nfs/dbraw/zinc/39/70/74/1036397074.db2.gz RMEVWKKYIWOBQI-CMPLNLGQSA-N 0 3 337.206 3.997 20 30 EHEDHN CC1=C[C@@H](C)C[C@H](CN2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 ZINC000589495870 1036437439 /nfs/dbraw/zinc/43/74/39/1036437439.db2.gz GOBIVHWIVWAOFU-ZBFHGGJFSA-N 0 3 340.471 3.538 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@H]1c1cccc(C)c1C ZINC000464782220 1036776124 /nfs/dbraw/zinc/77/61/24/1036776124.db2.gz VZLWUTXWWFNGSQ-JXFKEZNVSA-N 0 3 341.499 3.839 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000464897162 1036963124 /nfs/dbraw/zinc/96/31/24/1036963124.db2.gz SJLYYGVWQFJBKP-QRVBRYPASA-N 0 3 339.483 3.671 20 30 EHEDHN Cc1cccc(C2(NCC(=O)Nc3sccc3C#N)CCCC2)c1 ZINC000104076656 1037178619 /nfs/dbraw/zinc/17/86/19/1037178619.db2.gz IUSIXRAHVCMJMP-UHFFFAOYSA-N 0 3 339.464 3.926 20 30 EHEDHN C=CCOC(=O)N[C@@H]1CCCN([C@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168193754 1037192378 /nfs/dbraw/zinc/19/23/78/1037192378.db2.gz QNUNAHNERATKOV-RHSMWYFYSA-N 0 3 336.863 3.648 20 30 EHEDHN C=CCN(CC(=O)N(C)Cc1cccc(OC)c1)CC1CCCCC1 ZINC000303505560 1037486853 /nfs/dbraw/zinc/48/68/53/1037486853.db2.gz ZMHYHTQXEDRSBT-UHFFFAOYSA-N 0 3 344.499 3.722 20 30 EHEDHN N#C[C@H]1CC[C@@H](N[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000591659805 1037536878 /nfs/dbraw/zinc/53/68/78/1037536878.db2.gz UUXMPLNXAQKSQW-DXEWXGHRSA-N 0 3 349.272 3.951 20 30 EHEDHN N#Cc1ccc2[nH]c(=Nc3ccc(N4CCCCC4)nc3)ccc2c1 ZINC000540078551 1037549382 /nfs/dbraw/zinc/54/93/82/1037549382.db2.gz XAEOLPMNGBZJQM-UHFFFAOYSA-N 0 3 329.407 3.657 20 30 EHEDHN N#CCCN(C(=O)CN1CCCC[C@@H]1C1CCC1)c1ccccc1 ZINC000592197694 1037859042 /nfs/dbraw/zinc/85/90/42/1037859042.db2.gz HGWYBTUZIJPSNY-LJQANCHMSA-N 0 3 325.456 3.588 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)c(F)c1 ZINC000592166838 1037911879 /nfs/dbraw/zinc/91/18/79/1037911879.db2.gz JLOGLCGIYXYEPP-LEWJYISDSA-N 0 3 338.426 3.655 20 30 EHEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)C1 ZINC000592394031 1037934372 /nfs/dbraw/zinc/93/43/72/1037934372.db2.gz MTTRJGOVARWYTM-INWMFGNUSA-N 0 3 342.361 3.681 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C1CC1 ZINC001168435091 1037936644 /nfs/dbraw/zinc/93/66/44/1037936644.db2.gz BRIZDOJQYVJZCI-UHFFFAOYSA-N 0 3 348.446 3.897 20 30 EHEDHN C=CCN1CCC(NC(=O)c2sc(C3CCCCC3)nc2C)CC1 ZINC000540471166 1038001303 /nfs/dbraw/zinc/00/13/03/1038001303.db2.gz FLNHJUDTLPDUEL-UHFFFAOYSA-N 0 3 347.528 3.879 20 30 EHEDHN C=CCNC(=O)CN[C@@H](CCc1ccccc1Cl)c1ccccc1 ZINC000538580702 1038404017 /nfs/dbraw/zinc/40/40/17/1038404017.db2.gz FLONHXVYLMAKSO-IBGZPJMESA-N 0 3 342.870 3.906 20 30 EHEDHN CCSc1ccc([C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000539305630 1038775238 /nfs/dbraw/zinc/77/52/38/1038775238.db2.gz WVBOXOOUWDWVFM-QMTMVMCOSA-N 0 3 347.528 3.892 20 30 EHEDHN Cc1sc(NC(=O)CN[C@H](c2cccs2)C2CC2)c(C#N)c1C ZINC000539369638 1038834000 /nfs/dbraw/zinc/83/40/00/1038834000.db2.gz NHAABLRKTHZNBG-INIZCTEOSA-N 0 3 345.493 3.978 20 30 EHEDHN C=CCSc1nc2ccccc2n1CN(C)CCc1nccs1 ZINC000753809904 1038965511 /nfs/dbraw/zinc/96/55/11/1038965511.db2.gz HIIVSTBWDXFEKS-UHFFFAOYSA-N 0 3 344.509 3.903 20 30 EHEDHN CC(C)OC(=O)C[C@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000185585647 1039150439 /nfs/dbraw/zinc/15/04/39/1039150439.db2.gz KXVACUGEIJJUPS-FUHWJXTLSA-N 0 3 344.455 3.531 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(CC2CC2)C(C)C)c1C ZINC000569069997 1039276508 /nfs/dbraw/zinc/27/65/08/1039276508.db2.gz VJYFIUPJHFMGJV-UHFFFAOYSA-N 0 3 327.472 3.671 20 30 EHEDHN N#Cc1ccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000478391278 1039409446 /nfs/dbraw/zinc/40/94/46/1039409446.db2.gz YQOTZSBWXVWUTO-UHFFFAOYSA-N 0 3 333.750 3.591 20 30 EHEDHN C=C[C@@H](CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1 ZINC000554640035 1039549284 /nfs/dbraw/zinc/54/92/84/1039549284.db2.gz GZTVIHHSGYVGSZ-OXJNMPFZSA-N 0 3 340.442 3.905 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000912302916 1039778413 /nfs/dbraw/zinc/77/84/13/1039778413.db2.gz XVPBQUQPQODJRM-KRWDZBQOSA-N 0 3 333.476 3.970 20 30 EHEDHN C=C(C)CN(CC)Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000554852757 1039835904 /nfs/dbraw/zinc/83/59/04/1039835904.db2.gz DVWLXJIMDMQQQG-UHFFFAOYSA-N 0 3 329.387 3.746 20 30 EHEDHN CCN(CC1CC1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000489424250 1039959937 /nfs/dbraw/zinc/95/99/37/1039959937.db2.gz QFJVDFSEEAKPES-CYBMUJFWSA-N 0 3 345.512 3.948 20 30 EHEDHN C=C[C@H](CC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1ccccc1 ZINC000533947830 1039966413 /nfs/dbraw/zinc/96/64/13/1039966413.db2.gz HKAGXZOGSHRIAO-AZUAARDMSA-N 0 3 336.479 3.983 20 30 EHEDHN CC(C)[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000029112987 1040139714 /nfs/dbraw/zinc/13/97/14/1040139714.db2.gz DPMFTURVRORFSD-NRFANRHFSA-N 0 3 335.451 3.920 20 30 EHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NCCN1CCCCCC1 ZINC000429840166 1040170485 /nfs/dbraw/zinc/17/04/85/1040170485.db2.gz UCSRHNJGJKUADG-UHFFFAOYSA-N 0 3 341.480 3.687 20 30 EHEDHN CN1CC[C@H](NCc2cc(C#N)ccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000573731836 1040209729 /nfs/dbraw/zinc/20/97/29/1040209729.db2.gz CEOHRJOAQHAAHH-OALUTQOASA-N 0 3 343.833 3.886 20 30 EHEDHN C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000047010465 1040225083 /nfs/dbraw/zinc/22/50/83/1040225083.db2.gz ZAUUHVJPLVQYCH-GOSISDBHSA-N 0 3 349.478 3.642 20 30 EHEDHN C[C@@H](N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(C#N)cc1F ZINC000512620422 1040284835 /nfs/dbraw/zinc/28/48/35/1040284835.db2.gz QJQAYQUMEJFNPU-TZMCWYRMSA-N 0 3 345.368 3.905 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000433017305 1040456472 /nfs/dbraw/zinc/45/64/72/1040456472.db2.gz YHYLFZIYAWGEND-OAQYLSRUSA-N 0 3 347.462 3.596 20 30 EHEDHN C[S@](=O)Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000586795798 1040511880 /nfs/dbraw/zinc/51/18/80/1040511880.db2.gz IZXJJQKJPRUJLM-YKSBVNFPSA-N 0 3 338.476 3.604 20 30 EHEDHN CCOc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000491028686 1040873799 /nfs/dbraw/zinc/87/37/99/1040873799.db2.gz OZDOBPPEXSZBLK-UHFFFAOYSA-N 0 3 335.451 3.669 20 30 EHEDHN Cc1cc(F)c(C#N)c(N(C)C2CCN(CCC(F)(F)F)CC2)c1 ZINC000894131302 1041089791 /nfs/dbraw/zinc/08/97/91/1041089791.db2.gz QHIMABVSHXMLDN-UHFFFAOYSA-N 0 3 343.368 3.859 20 30 EHEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000156515051 1041261567 /nfs/dbraw/zinc/26/15/67/1041261567.db2.gz RPGJCRDRWXIIPG-VXGBXAGGSA-N 0 3 345.251 3.782 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCCSC ZINC000124012669 1041544135 /nfs/dbraw/zinc/54/41/35/1041544135.db2.gz NTPJZRXDRUUGJL-MRXNPFEDSA-N 0 3 346.496 3.992 20 30 EHEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000278862859 1042660774 /nfs/dbraw/zinc/66/07/74/1042660774.db2.gz GNCROWXIUUHVTM-RTBURBONSA-N 0 3 344.842 3.565 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000663400317 1042815308 /nfs/dbraw/zinc/81/53/08/1042815308.db2.gz OIBNEQRTMQPDKR-ZCNNSNEGSA-N 0 3 339.483 3.716 20 30 EHEDHN N#Cc1ccc(OCCN[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000182144998 1044433670 /nfs/dbraw/zinc/43/36/70/1044433670.db2.gz PISXYRVNTFFDFJ-GOSISDBHSA-N 0 3 326.371 3.580 20 30 EHEDHN CC(C)Sc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000112543346 1044612294 /nfs/dbraw/zinc/61/22/94/1044612294.db2.gz QGUQQKYVDPYHAU-GJZGRUSLSA-N 0 3 333.501 3.598 20 30 EHEDHN CC[C@H]1CN(c2ccccc2)CCN1Cc1ccc(OCC#N)cc1 ZINC000763901862 1126933396 /nfs/dbraw/zinc/93/33/96/1126933396.db2.gz KMSYQULBNKKQGC-IBGZPJMESA-N 0 3 335.451 3.690 20 30 EHEDHN Cc1cnc(C2CCN(CCCOc3ccc(C#N)cc3)CC2)s1 ZINC000763951227 1126959894 /nfs/dbraw/zinc/95/98/94/1126959894.db2.gz GCOCYKCURGEELM-UHFFFAOYSA-N 0 3 341.480 3.972 20 30 EHEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179484157 1127067676 /nfs/dbraw/zinc/06/76/76/1127067676.db2.gz DXMRNMNJZWBBEI-RTWAWAEBSA-N 0 3 349.478 3.830 20 30 EHEDHN C=CCOc1c(Br)cc(CNC/C=C/C)cc1OC ZINC000623738899 1127079040 /nfs/dbraw/zinc/07/90/40/1127079040.db2.gz BAUWKANYZWNCSG-GQCTYLIASA-N 0 3 326.234 3.688 20 30 EHEDHN C=CCSc1ccccc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654316809 1127109419 /nfs/dbraw/zinc/10/94/19/1127109419.db2.gz CXFCUWWLCBTURB-DLBZAZTESA-N 0 3 330.497 3.711 20 30 EHEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(F)c(Br)cc1F ZINC000623928608 1127215201 /nfs/dbraw/zinc/21/52/01/1127215201.db2.gz UXANBGBIDOFDEK-NXEZZACHSA-N 0 3 334.204 3.563 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000181004614 1127264019 /nfs/dbraw/zinc/26/40/19/1127264019.db2.gz ZKIWHUOOFMWJEM-WOJBJXKFSA-N 0 3 345.462 3.701 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000765038211 1127564727 /nfs/dbraw/zinc/56/47/27/1127564727.db2.gz QKWBNJSOUOWYOZ-HOTGVXAUSA-N 0 3 348.446 3.995 20 30 EHEDHN N#CC(C(=O)CCc1cncc2ccccc21)c1nc2ccccc2[nH]1 ZINC000765586061 1127688214 /nfs/dbraw/zinc/68/82/14/1127688214.db2.gz HFBQCNCFFABXCR-QGZVFWFLSA-N 0 3 340.386 3.920 20 30 EHEDHN C=CCCC[C@@H](NC(=O)NCCN1CCCCC1)c1ccccc1 ZINC001687450128 1128155246 /nfs/dbraw/zinc/15/52/46/1128155246.db2.gz UQCINCVNJHXUQG-LJQANCHMSA-N 0 3 329.488 3.869 20 30 EHEDHN CC(C)(C)[C@@H]1CCCC[C@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000734506344 1131243073 /nfs/dbraw/zinc/24/30/73/1131243073.db2.gz MSAGWTBLHUXRDS-RCCFBDPRSA-N 0 3 327.472 3.527 20 30 EHEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301064954 1128571490 /nfs/dbraw/zinc/57/14/90/1128571490.db2.gz DHOQFTUAXSTLSP-KRWDZBQOSA-N 0 3 336.395 3.543 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000302128302 1128621404 /nfs/dbraw/zinc/62/14/04/1128621404.db2.gz XFQYZDAVDQQIKK-IBGZPJMESA-N 0 3 347.462 3.719 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000302099346 1128619569 /nfs/dbraw/zinc/61/95/69/1128619569.db2.gz KPZNWPOZFFFIQW-FOIQADDNSA-N 0 3 333.435 3.836 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)CC1 ZINC000172584883 1128663433 /nfs/dbraw/zinc/66/34/33/1128663433.db2.gz XQOZJDUCDCDVBC-GOSISDBHSA-N 0 3 345.487 3.865 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nc(Cl)c(C#N)s1 ZINC000307042086 1128808721 /nfs/dbraw/zinc/80/87/21/1128808721.db2.gz AQSOMQWLMVJZKF-YPMHNXCESA-N 0 3 332.860 3.601 20 30 EHEDHN Cc1nc2c(s1)[C@@H](N(C)CCOc1ccc(C#N)cc1)CCC2 ZINC000111312207 1128859259 /nfs/dbraw/zinc/85/92/59/1128859259.db2.gz XQNBXXRDKVGKKR-KRWDZBQOSA-N 0 3 327.453 3.711 20 30 EHEDHN Cn1cc(CNC2CC(C#N)(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000129656386 1120149511 /nfs/dbraw/zinc/14/95/11/1120149511.db2.gz OTJZWAKBXFEEJP-UHFFFAOYSA-N 0 3 342.446 3.801 20 30 EHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000185037183 1120397128 /nfs/dbraw/zinc/39/71/28/1120397128.db2.gz XGWCIRYLLSORJB-QFBILLFUSA-N 0 3 332.488 3.797 20 30 EHEDHN N#CC(C(=O)CCc1cccc(Br)c1)c1cccc(F)n1 ZINC001122631215 1121012873 /nfs/dbraw/zinc/01/28/73/1121012873.db2.gz CNYSYSJFRSXIJA-CYBMUJFWSA-N 0 3 347.187 3.792 20 30 EHEDHN C#Cc1cccc(NC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)c1 ZINC000915340216 1121346653 /nfs/dbraw/zinc/34/66/53/1121346653.db2.gz NYKOOZWHJDQIBN-HXUWFJFHSA-N 0 3 335.451 3.655 20 30 EHEDHN N#Cc1ccc(CN(Cc2ccc(-n3cccn3)cc2)C2CC2)cc1 ZINC000193613834 1121492404 /nfs/dbraw/zinc/49/24/04/1121492404.db2.gz SSEPLRPJCLHIBG-UHFFFAOYSA-N 0 3 328.419 3.909 20 30 EHEDHN CCN(Cc1cnc2c(c1)c(C)nn2C)[C@@H](C)c1ccc(C#N)cc1 ZINC000193757385 1121620772 /nfs/dbraw/zinc/62/07/72/1121620772.db2.gz HLWFZZHCZUKNSY-HNNXBMFYSA-N 0 3 333.439 3.732 20 30 EHEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2ccc(Cl)nn2)ccc1[O-] ZINC000916541552 1122187734 /nfs/dbraw/zinc/18/77/34/1122187734.db2.gz AYHYPTBVCSKTSZ-UHFFFAOYSA-N 0 3 347.850 3.514 20 30 EHEDHN C=C(CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000672662886 1129038797 /nfs/dbraw/zinc/03/87/97/1129038797.db2.gz XCRUVSWLHZUEIZ-NRFANRHFSA-N 0 3 349.478 3.836 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)COC2CCCC2)cc1 ZINC000916915075 1122394458 /nfs/dbraw/zinc/39/44/58/1122394458.db2.gz CIGZFAXODIJTNV-GOSISDBHSA-N 0 3 342.439 3.636 20 30 EHEDHN C=CCN1CC[C@H](N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O ZINC000499602951 1129069770 /nfs/dbraw/zinc/06/97/70/1129069770.db2.gz PNFWHGFWRRLLPM-HOTGVXAUSA-N 0 3 340.389 3.779 20 30 EHEDHN C=CCN1CC[C@H](N[C@@H](c2cccc(Cl)c2)C2CCCC2)C1=O ZINC000499607833 1129075330 /nfs/dbraw/zinc/07/53/30/1129075330.db2.gz BYYHKKYSJWOJJD-ZWKOTPCHSA-N 0 3 332.875 3.948 20 30 EHEDHN CC(C)Cc1ccc(CCCC(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000155069491 1123138309 /nfs/dbraw/zinc/13/83/09/1123138309.db2.gz NBOAAPLCCUSPNS-LJQANCHMSA-N 0 3 340.467 3.539 20 30 EHEDHN C[C@H](NCc1cnc2c(C#N)cnn2c1)c1cc2ccccc2s1 ZINC000609335385 1123551589 /nfs/dbraw/zinc/55/15/89/1123551589.db2.gz XDLPAXMRJJGADM-LBPRGKRZSA-N 0 3 333.420 3.666 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175095718 1123592775 /nfs/dbraw/zinc/59/27/75/1123592775.db2.gz RLZMTQZQVKWPIQ-NEPJUHHUSA-N 0 3 340.876 3.910 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)NCc1ccccc1)c1ccc(Cl)s1 ZINC000175101842 1123593609 /nfs/dbraw/zinc/59/36/09/1123593609.db2.gz FACMWABPTMMEFV-DGCLKSJQSA-N 0 3 346.839 3.530 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)NCc1ccccc1)c1ccc(Cl)s1 ZINC000175101859 1123593748 /nfs/dbraw/zinc/59/37/48/1123593748.db2.gz FACMWABPTMMEFV-AAEUAGOBSA-N 0 3 346.839 3.530 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN(CC1CCC1)[C@H](C)c1ccccc1 ZINC000610134097 1123739452 /nfs/dbraw/zinc/73/94/52/1123739452.db2.gz BAEKAANFYSOZPC-UTKZUKDTSA-N 0 3 341.499 3.904 20 30 EHEDHN N#CCCCOc1cccc(CNCc2ccc(-n3ccnc3)cc2)c1 ZINC000237824391 1123872807 /nfs/dbraw/zinc/87/28/07/1123872807.db2.gz XUIJZIWUNVJINF-UHFFFAOYSA-N 0 3 346.434 3.845 20 30 EHEDHN Cn1cccc1C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000068348887 1123920738 /nfs/dbraw/zinc/92/07/38/1123920738.db2.gz VKRRIPHGSCGHDL-JTQLQIEISA-N 0 3 343.358 3.917 20 30 EHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)c1ccc(Cl)cc1 ZINC000068826921 1124034296 /nfs/dbraw/zinc/03/42/96/1124034296.db2.gz POUHPRWFTFRDEU-IBGZPJMESA-N 0 3 326.827 3.933 20 30 EHEDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000181541823 1124920572 /nfs/dbraw/zinc/92/05/72/1124920572.db2.gz MRVNMQPCMYRNRK-MRXNPFEDSA-N 0 3 338.455 3.681 20 30 EHEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000499718200 1129406501 /nfs/dbraw/zinc/40/65/01/1129406501.db2.gz FFPXAUYIBFSIHP-OAHLLOKOSA-N 0 3 333.435 3.726 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3c[nH]c4ccc(F)cc34)nc21 ZINC000735792008 1131380919 /nfs/dbraw/zinc/38/09/19/1131380919.db2.gz GCTPZDZSORGSBS-OAHLLOKOSA-N 0 3 346.365 3.911 20 30 EHEDHN Cn1cnc2cc(CNCc3cccc(OCCCC#N)c3)ccc21 ZINC000922481627 1129544346 /nfs/dbraw/zinc/54/43/46/1129544346.db2.gz NZNGJCIKBCXURW-UHFFFAOYSA-N 0 3 334.423 3.546 20 30 EHEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168729268 1129587725 /nfs/dbraw/zinc/58/77/25/1129587725.db2.gz AHAOLEQWLPEOMA-FUHIMQAGSA-N 0 3 347.886 3.633 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2csnc2-c2ccccc2)CC1 ZINC000888448481 1129606385 /nfs/dbraw/zinc/60/63/85/1129606385.db2.gz SFMWKLNJRMTRCG-UHFFFAOYSA-N 0 3 342.468 3.582 20 30 EHEDHN C=C(C)CCN[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000509008239 1129643006 /nfs/dbraw/zinc/64/30/06/1129643006.db2.gz XSTUWTHORDBJMA-LLVKDONJSA-N 0 3 326.234 3.837 20 30 EHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000131200713 1129775327 /nfs/dbraw/zinc/77/53/27/1129775327.db2.gz KMCWHAALJCDLGZ-UHFFFAOYSA-N 0 3 330.391 3.773 20 30 EHEDHN C=C(C)C[C@H](C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000466546426 1129895607 /nfs/dbraw/zinc/89/56/07/1129895607.db2.gz SXOATKYGGIAVFD-KRWDZBQOSA-N 0 3 329.488 3.758 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000172396035 1130129882 /nfs/dbraw/zinc/12/98/82/1130129882.db2.gz NPHJDOXPJNQGQX-SJORKVTESA-N 0 3 339.483 3.590 20 30 EHEDHN Cn1cccc1[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000175123134 1130408939 /nfs/dbraw/zinc/40/89/39/1130408939.db2.gz JNMWTDLICBUMPT-MRXNPFEDSA-N 0 3 342.468 3.514 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000732593725 1130936748 /nfs/dbraw/zinc/93/67/48/1130936748.db2.gz RGNVEGQBXNZUEX-MAUKXSAKSA-N 0 3 343.430 3.945 20 30 EHEDHN C=C(Br)CN[C@H]1CCc2cccc(Br)c2C1 ZINC000378865631 1131165624 /nfs/dbraw/zinc/16/56/24/1131165624.db2.gz ZUFYKDVOCFEYLB-NSHDSACASA-N 0 3 345.078 3.805 20 30 EHEDHN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1cc(C#N)ccc1F ZINC000734002577 1131181849 /nfs/dbraw/zinc/18/18/49/1131181849.db2.gz PZPSNCFVHUQIDB-IBGZPJMESA-N 0 3 349.450 3.726 20 30 EHEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(Cl)ccc2OCC#N)C1(C)C ZINC000740887066 1131554034 /nfs/dbraw/zinc/55/40/34/1131554034.db2.gz PMMSMADNETUEAC-DLBZAZTESA-N 0 3 336.863 3.878 20 30 EHEDHN CC[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1c(C)nn(C)c1C ZINC000742388572 1131714004 /nfs/dbraw/zinc/71/40/04/1131714004.db2.gz YTAYBAJVOUGHBT-SCLBCKFNSA-N 0 3 326.444 3.569 20 30 EHEDHN C#CCOc1ccc(CN[C@H](Cc2nccn2C)c2ccccc2)cc1 ZINC000742388275 1131714955 /nfs/dbraw/zinc/71/49/55/1131714955.db2.gz NVICRABNXIEIKR-OAQYLSRUSA-N 0 3 345.446 3.506 20 30 EHEDHN C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1cccc(F)c1 ZINC001172969017 1131921339 /nfs/dbraw/zinc/92/13/39/1131921339.db2.gz RUDLNDADYNZQAL-COXVUDFISA-N 0 3 347.434 3.768 20 30 EHEDHN C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000743464723 1131927286 /nfs/dbraw/zinc/92/72/86/1131927286.db2.gz ODZFDULVSZZWBS-MRXNPFEDSA-N 0 3 333.435 3.645 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1cccc2ccccc21)c1ccco1 ZINC000744030075 1132006609 /nfs/dbraw/zinc/00/66/09/1132006609.db2.gz ZDNQRTXBYLIHFB-XJKSGUPXSA-N 0 3 332.359 3.884 20 30 EHEDHN N#CCC1CCC(N2CCN(c3nsc4ccccc43)CC2)CC1 ZINC001173336144 1132051739 /nfs/dbraw/zinc/05/17/39/1132051739.db2.gz PBZYLQVDNYKPEA-UHFFFAOYSA-N 0 3 340.496 3.891 20 30 EHEDHN C=CCOC1CCC([NH2+]Cc2cc(Cl)c([O-])c(OC)c2)CC1 ZINC001173316863 1132059627 /nfs/dbraw/zinc/05/96/27/1132059627.db2.gz OBLKKMQUUFIWKI-UHFFFAOYSA-N 0 3 325.836 3.658 20 30 EHEDHN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1C2CCCC1CCC2 ZINC000744407045 1132090627 /nfs/dbraw/zinc/09/06/27/1132090627.db2.gz RKBHYKPHIHHMSC-OFLPRAFFSA-N 0 3 346.434 3.631 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(CCCC2)C1 ZINC000744422040 1132091735 /nfs/dbraw/zinc/09/17/35/1132091735.db2.gz LJZSUYHYWASDNH-INIZCTEOSA-N 0 3 332.513 3.917 20 30 EHEDHN CCN(CC)Cc1cc(OC)ccc1NC=CC(=O)C(F)(F)F ZINC001169481136 1132764401 /nfs/dbraw/zinc/76/44/01/1132764401.db2.gz WPPDHBFRVVARDJ-CMDGGOBGSA-N 0 3 330.350 3.594 20 30 EHEDHN C#C[C@H](NCc1cccc2c(Br)cccc12)[C@@H]1CCCO1 ZINC001169498340 1132771105 /nfs/dbraw/zinc/77/11/05/1132771105.db2.gz ZWGRCEPZIUMKKP-ROUUACIJSA-N 0 3 344.252 3.873 20 30 EHEDHN C[C@]1(Cc2cccs2)CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC001176665009 1132978756 /nfs/dbraw/zinc/97/87/56/1132978756.db2.gz PSMWFEPHBSCZOV-LJQANCHMSA-N 0 3 339.464 3.655 20 30 EHEDHN C=CCCCN(CC)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC001176798117 1132997560 /nfs/dbraw/zinc/99/75/60/1132997560.db2.gz LBUSJZIODNDUMV-UHFFFAOYSA-N 0 3 328.412 3.916 20 30 EHEDHN C=CCCCNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178593117 1133179526 /nfs/dbraw/zinc/17/95/26/1133179526.db2.gz IJIZBMGAHFGPBL-UHFFFAOYSA-N 0 3 334.463 3.790 20 30 EHEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CCC1 ZINC000769929340 1133368475 /nfs/dbraw/zinc/36/84/75/1133368475.db2.gz YKLUTOWGRJQGAZ-HNNXBMFYSA-N 0 3 341.480 3.983 20 30 EHEDHN Cc1ccc(-c2noc([C@H](C)NC3CCC(C#N)CC3)n2)cc1F ZINC001181445972 1133488109 /nfs/dbraw/zinc/48/81/09/1133488109.db2.gz VAZMQWOOTXCSPN-OPFPJEHXSA-N 0 3 328.391 3.917 20 30 EHEDHN CCCCN(CC)[C@@H](C(=O)N1CCCC[C@H]1C#N)c1ccccc1 ZINC001182232770 1133594020 /nfs/dbraw/zinc/59/40/20/1133594020.db2.gz FCJVGCOIIJHMJL-RBUKOAKNSA-N 0 3 327.472 3.754 20 30 EHEDHN C#CC(C)(C)C(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC001182638119 1133708772 /nfs/dbraw/zinc/70/87/72/1133708772.db2.gz IZIXDJZDHYZVSD-SFHVURJKSA-N 0 3 332.447 3.862 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc4cccnc43)nc21 ZINC000772666953 1133710229 /nfs/dbraw/zinc/71/02/29/1133710229.db2.gz RIAMYINKOARSSM-MRXNPFEDSA-N 0 3 340.386 3.839 20 30 EHEDHN C=C(C)[C@@H](CO)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000785964294 1133784527 /nfs/dbraw/zinc/78/45/27/1133784527.db2.gz HWYRJRZWTXMASK-OAQYLSRUSA-N 0 3 337.463 3.574 20 30 EHEDHN C=C[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000785998585 1133790014 /nfs/dbraw/zinc/79/00/14/1133790014.db2.gz IPVIWKDKQDPPFR-KGLIPLIRSA-N 0 3 325.437 3.513 20 30 EHEDHN N#Cc1c2ccccc2sc1NC(=O)C(C#N)Cc1ccc(O)cc1 ZINC001183606122 1133825699 /nfs/dbraw/zinc/82/56/99/1133825699.db2.gz XDLQBSQDAUQKTE-ZDUSSCGKSA-N 0 3 347.399 3.800 20 30 EHEDHN Cc1sccc1CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000786928565 1133929974 /nfs/dbraw/zinc/92/99/74/1133929974.db2.gz DQLHHWBHICTBHG-LBPRGKRZSA-N 0 3 332.812 3.600 20 30 EHEDHN CC(C)(C#N)CCOC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772722535 1134161552 /nfs/dbraw/zinc/16/15/52/1134161552.db2.gz OCHFNLHQUKFPDN-UHFFFAOYSA-N 0 3 328.456 3.772 20 30 EHEDHN CC1(C(=O)OCC#Cc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000791454414 1134553997 /nfs/dbraw/zinc/55/39/97/1134553997.db2.gz MFNVHPDXFBDSHK-UHFFFAOYSA-N 0 3 347.458 3.884 20 30 EHEDHN C=C(C)c1cccc(C(C)(C)NC(=O)NCCN2CCCCC2)c1 ZINC001189251987 1134558290 /nfs/dbraw/zinc/55/82/90/1134558290.db2.gz QEDIBAIXIFZTGF-UHFFFAOYSA-N 0 3 329.488 3.740 20 30 EHEDHN C#CC[C@H](NC[C@@H](O)COc1c(C)ccc(C)c1C)c1ccccc1 ZINC000775399623 1134720830 /nfs/dbraw/zinc/72/08/30/1134720830.db2.gz DVXSIYDGILGSEK-RTWAWAEBSA-N 0 3 337.463 3.706 20 30 EHEDHN C#CC[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000775401376 1134729871 /nfs/dbraw/zinc/72/98/71/1134729871.db2.gz SVVDXMBNPGTTQA-GMAHTHKFSA-N 0 3 345.442 3.934 20 30 EHEDHN CCOC1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCCC1 ZINC000793123489 1134851538 /nfs/dbraw/zinc/85/15/38/1134851538.db2.gz XMJACLZMEBCGOE-LBPRGKRZSA-N 0 3 347.365 3.957 20 30 EHEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(O)c1 ZINC001193906367 1135202924 /nfs/dbraw/zinc/20/29/24/1135202924.db2.gz LQVDAEINTDMNKG-LBPRGKRZSA-N 0 3 343.814 3.597 20 30 EHEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCCC(C)(C)C)cc1 ZINC000805857904 1135340006 /nfs/dbraw/zinc/34/00/06/1135340006.db2.gz JTQFCWCEDVDPQQ-KRWDZBQOSA-N 0 3 344.455 3.627 20 30 EHEDHN Clc1ccc(C#CCN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 ZINC001195658786 1135453089 /nfs/dbraw/zinc/45/30/89/1135453089.db2.gz DFRYHALBHFRMKQ-KDURUIRLSA-N 0 3 336.866 3.760 20 30 EHEDHN C=CCCCCCCN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000806620493 1135471814 /nfs/dbraw/zinc/47/18/14/1135471814.db2.gz XZYRNNDVNAMSOW-HNNXBMFYSA-N 0 3 339.277 3.702 20 30 EHEDHN COc1ccc(CNCc2ccc(C#N)c(Cl)c2)c(C)c1OC ZINC000808412328 1135664809 /nfs/dbraw/zinc/66/48/09/1135664809.db2.gz HRYLRGIXRTZTGH-UHFFFAOYSA-N 0 3 330.815 3.827 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN([C@@H](C)C2CC2)C2CC2)cc1C ZINC000747524488 1135722857 /nfs/dbraw/zinc/72/28/57/1135722857.db2.gz MVEQLUNSRGRBNT-KRWDZBQOSA-N 0 3 339.483 3.813 20 30 EHEDHN CCC(CC)N(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000808782550 1135736532 /nfs/dbraw/zinc/73/65/32/1135736532.db2.gz XRKNMQSAKRTBJD-AWEZNQCLSA-N 0 3 329.469 3.983 20 30 EHEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747532275 1135751324 /nfs/dbraw/zinc/75/13/24/1135751324.db2.gz VWAIUDDESAHNAF-CRAIPNDOSA-N 0 3 327.472 3.671 20 30 EHEDHN CCCC[N@H+](C)C[C@H](C)/N=C/c1cc(Br)ccc1[O-] ZINC000809144062 1135782554 /nfs/dbraw/zinc/78/25/54/1135782554.db2.gz BYKZTCHPQZUJLI-VAKHEIKFSA-N 0 3 327.266 3.694 20 30 EHEDHN CCCC[N@@H+](C)C[C@H](C)/N=C/c1cc(Br)ccc1[O-] ZINC000809144062 1135782561 /nfs/dbraw/zinc/78/25/61/1135782561.db2.gz BYKZTCHPQZUJLI-VAKHEIKFSA-N 0 3 327.266 3.694 20 30 EHEDHN CC(C)(C)c1ccc(NC(=S)N2CCC3SC(=O)C=C3C2)cc1 ZINC001198474019 1135825367 /nfs/dbraw/zinc/82/53/67/1135825367.db2.gz PQAJGVXNSXSJFF-HNNXBMFYSA-N 0 3 346.521 3.955 20 30 EHEDHN C#Cc1ccc(CN(C)[C@H](CO)c2cccc(Br)c2)cc1 ZINC000809585347 1135858252 /nfs/dbraw/zinc/85/82/52/1135858252.db2.gz IBHYOMNQPNLVGS-GOSISDBHSA-N 0 3 344.252 3.596 20 30 EHEDHN C#Cc1ccc(CNCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000809603093 1135860918 /nfs/dbraw/zinc/86/09/18/1135860918.db2.gz JVFHQNLDTBECFL-UHFFFAOYSA-N 0 3 327.811 3.772 20 30 EHEDHN C#Cc1ccc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000809648500 1135865592 /nfs/dbraw/zinc/86/55/92/1135865592.db2.gz HUWAKSBKTYZWDD-UHFFFAOYSA-N 0 3 328.456 3.547 20 30 EHEDHN C[C@H](C#N)CN(C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809965602 1135904381 /nfs/dbraw/zinc/90/43/81/1135904381.db2.gz IQJZNKIBDLFMSV-BRWVUGGUSA-N 0 3 349.519 3.942 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000776007267 1135919323 /nfs/dbraw/zinc/91/93/23/1135919323.db2.gz QZIIWFOVFVSUME-SFTDATJTSA-N 0 3 341.499 3.952 20 30 EHEDHN C=CCOCc1nn(C)c2c1CN(C[C@@H](C)CCC=C(C)C)CC2 ZINC001201486215 1136027350 /nfs/dbraw/zinc/02/73/50/1136027350.db2.gz HBYXPCIFCKWSCW-KRWDZBQOSA-N 0 3 331.504 3.863 20 30 EHEDHN Cc1ccc(C#N)cc1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001132597008 1136043809 /nfs/dbraw/zinc/04/38/09/1136043809.db2.gz GCXDHAGUEVREBT-HXUWFJFHSA-N 0 3 347.462 3.651 20 30 EHEDHN C[C@@H]1C(N=Nc2ncnc3ccsc32)CCN1Cc1ccccc1 ZINC000811645688 1136116667 /nfs/dbraw/zinc/11/66/67/1136116667.db2.gz WBBNWTGTGPGFIG-CYBMUJFWSA-N 0 3 337.452 3.754 20 30 EHEDHN COCc1ccc(SCC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000747813853 1136242042 /nfs/dbraw/zinc/24/20/42/1136242042.db2.gz MBXJOJHCLPYHRX-CQSZACIVSA-N 0 3 332.450 3.567 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H](C)[C@H](C)COC)cc1 ZINC000813059894 1136283769 /nfs/dbraw/zinc/28/37/69/1136283769.db2.gz KMPIZSSEVSTZCZ-LUXYFRNMSA-N 0 3 344.455 3.766 20 30 EHEDHN CC[C@@H](NCc1ccc(N2CCCNC2=O)cc1)c1ccc(C#N)cc1 ZINC000850574899 1136290680 /nfs/dbraw/zinc/29/06/80/1136290680.db2.gz LYFNPGNCRGDXTH-HXUWFJFHSA-N 0 3 348.450 3.719 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@H]1CC1(Cl)Cl ZINC000850740009 1136298405 /nfs/dbraw/zinc/29/84/05/1136298405.db2.gz ZVMRVCRJHBUSQH-WDEREUQCSA-N 0 3 336.222 3.724 20 30 EHEDHN CO[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)C1CCCCC1 ZINC000850756317 1136300489 /nfs/dbraw/zinc/30/04/89/1136300489.db2.gz PEXATBBXGMGMFR-RDJZCZTQSA-N 0 3 348.830 3.583 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCC(C2CC2)CC1 ZINC000850978591 1136324784 /nfs/dbraw/zinc/32/47/84/1136324784.db2.gz WBEUZIOHNVRQNM-ACBHZAAOSA-N 0 3 338.451 3.570 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000173196852 1136361018 /nfs/dbraw/zinc/36/10/18/1136361018.db2.gz MWUUHAIOGJIGKX-BEFAXECRSA-N 0 3 345.462 3.569 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1ccc(Cl)nc1)c1ccccc1 ZINC000852083212 1136432549 /nfs/dbraw/zinc/43/25/49/1136432549.db2.gz ANQFDLPACRMSPS-INIZCTEOSA-N 0 3 342.830 3.698 20 30 EHEDHN CC(C)(C)OC(=O)NCC12CC(C1)CN2CCCCC(C)(C)C#N ZINC000852529604 1136463083 /nfs/dbraw/zinc/46/30/83/1136463083.db2.gz YEHDYQYVYJQFJW-UHFFFAOYSA-N 0 3 335.492 3.696 20 30 EHEDHN Cc1cc(CN2CCC(C#N)(c3ccccn3)CC2)ccc1N(C)C ZINC000815110497 1136557240 /nfs/dbraw/zinc/55/72/40/1136557240.db2.gz WUBDPGJMMCURRJ-UHFFFAOYSA-N 0 3 334.467 3.513 20 30 EHEDHN N#CC(C(=O)CCc1cncs1)c1nc2ccccc2n1C(F)F ZINC000815912936 1136652465 /nfs/dbraw/zinc/65/24/65/1136652465.db2.gz DFCSMCHOZXNTGS-LLVKDONJSA-N 0 3 346.362 3.697 20 30 EHEDHN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1Cc1ccc(OCC#N)cc1 ZINC000817276540 1136793246 /nfs/dbraw/zinc/79/32/46/1136793246.db2.gz HZTAQGZFSIJBKX-RDJZCZTQSA-N 0 3 344.455 3.531 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCC2)cc1 ZINC000114618309 1136813332 /nfs/dbraw/zinc/81/33/32/1136813332.db2.gz LUHYSQGHRJOLJF-GUYCJALGSA-N 0 3 328.412 3.559 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC2CCCC2)cc1 ZINC000114618307 1136813542 /nfs/dbraw/zinc/81/35/42/1136813542.db2.gz LUHYSQGHRJOLJF-CXAGYDPISA-N 0 3 328.412 3.559 20 30 EHEDHN N#CCC1CCN([C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170879329 1136840214 /nfs/dbraw/zinc/84/02/14/1136840214.db2.gz OTEZYPCMGVRUFD-KRWDZBQOSA-N 0 3 333.273 3.932 20 30 EHEDHN N#Cc1ccc(NCCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000339012024 1136977804 /nfs/dbraw/zinc/97/78/04/1136977804.db2.gz FTXDJTAWWKKPMM-UHFFFAOYSA-N 0 3 348.494 3.568 20 30 EHEDHN C#CCCCOc1cccnc1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000820634184 1136999017 /nfs/dbraw/zinc/99/90/17/1136999017.db2.gz LQWIYFXSBSVLOZ-SFHVURJKSA-N 0 3 341.430 3.728 20 30 EHEDHN Cc1ccc(CN2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859240189 1137009131 /nfs/dbraw/zinc/00/91/31/1137009131.db2.gz VIMGWBOCEPFTSE-WBVHZDCISA-N 0 3 343.471 3.602 20 30 EHEDHN N#Cc1ccc(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000859925924 1137037063 /nfs/dbraw/zinc/03/70/63/1137037063.db2.gz AAFMPIKTFUZDLU-GBESFXJTSA-N 0 3 333.391 3.702 20 30 EHEDHN CSCCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000860470318 1137061848 /nfs/dbraw/zinc/06/18/48/1137061848.db2.gz YNIYMWSJZQJFET-INIZCTEOSA-N 0 3 332.469 3.956 20 30 EHEDHN CN(CCC#N)c1ccc(CN2CC(Cc3cccs3)C2)cc1 ZINC000862538277 1137148716 /nfs/dbraw/zinc/14/87/16/1137148716.db2.gz PNBIWGQXYVNMFC-UHFFFAOYSA-N 0 3 325.481 3.772 20 30 EHEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)nc1 ZINC001144163201 1137246804 /nfs/dbraw/zinc/24/68/04/1137246804.db2.gz UPZBLNZTXJNEQC-HNNXBMFYSA-N 0 3 331.341 3.962 20 30 EHEDHN CC(=O)Nc1ccc(C)c(NC(=N)c2ccc3cc(O)ccc3c2)c1 ZINC001171185206 1137293273 /nfs/dbraw/zinc/29/32/73/1137293273.db2.gz UESPPUJEYXRZMM-UHFFFAOYSA-N 0 3 333.391 3.849 20 30 EHEDHN C#Cc1ccc(CN2CCC[C@]3(CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001144568009 1137311421 /nfs/dbraw/zinc/31/14/21/1137311421.db2.gz HYKOJUBVLFIIMO-NRFANRHFSA-N 0 3 340.467 3.643 20 30 EHEDHN Cc1ccc(CN2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171221590 1137346168 /nfs/dbraw/zinc/34/61/68/1137346168.db2.gz PVJNMLNAGZWLEP-LJQANCHMSA-N 0 3 333.479 3.616 20 30 EHEDHN C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cc(F)ccc1[O-] ZINC000866449304 1137355647 /nfs/dbraw/zinc/35/56/47/1137355647.db2.gz UFKXJWFTVRBVOL-CQSZACIVSA-N 0 3 339.414 3.723 20 30 EHEDHN C[C@H](NC1CCN(c2ccccc2C#N)CC1)c1ccncc1Cl ZINC000866448257 1137355747 /nfs/dbraw/zinc/35/57/47/1137355747.db2.gz CGFHCICFXMWVJE-AWEZNQCLSA-N 0 3 340.858 3.926 20 30 EHEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000121840303 1137386778 /nfs/dbraw/zinc/38/67/78/1137386778.db2.gz SYCUCCYTWRBBNJ-QAPCUYQASA-N 0 3 326.440 3.646 20 30 EHEDHN CCCCCCCCNC(=S)N1CCN(C2CCCC2)CC1 ZINC001247153629 1137420185 /nfs/dbraw/zinc/42/01/85/1137420185.db2.gz HSXWCFVRTJQYIJ-UHFFFAOYSA-N 0 3 325.566 3.782 20 30 EHEDHN C=CCc1cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([O-])c(OC)c1 ZINC000773257347 1137481959 /nfs/dbraw/zinc/48/19/59/1137481959.db2.gz DCSWNVQFHPPHAT-ZWKOTPCHSA-N 0 3 345.483 3.768 20 30 EHEDHN C=CCc1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([O-])c(OC)c1 ZINC000773257347 1137481960 /nfs/dbraw/zinc/48/19/60/1137481960.db2.gz DCSWNVQFHPPHAT-ZWKOTPCHSA-N 0 3 345.483 3.768 20 30 EHEDHN COc1cccc(-c2nc(CN[C@@H](C)Cc3ccc(C#N)cc3)co2)c1 ZINC001172305712 1137545413 /nfs/dbraw/zinc/54/54/13/1137545413.db2.gz UKYDLABTDSITGF-HNNXBMFYSA-N 0 3 347.418 3.943 20 30 EHEDHN C=CC(C)(C)CCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000872099891 1137571143 /nfs/dbraw/zinc/57/11/43/1137571143.db2.gz GJJDIOQPKWNXEW-OAHLLOKOSA-N 0 3 325.449 3.626 20 30 EHEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccccc1-c1ccccc1C#N ZINC000874849424 1137624642 /nfs/dbraw/zinc/62/46/42/1137624642.db2.gz XYXIJCCVQAMNDP-RTWAWAEBSA-N 0 3 345.446 3.534 20 30 EHEDHN CN(C)c1ccc(C#N)cc1CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000876558359 1137655351 /nfs/dbraw/zinc/65/53/51/1137655351.db2.gz LDKWKTJAQSMJET-JOCHJYFZSA-N 0 3 349.478 3.570 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000876572205 1137655884 /nfs/dbraw/zinc/65/58/84/1137655884.db2.gz BNSGDBJIJXBAEJ-VIFPVBQESA-N 0 3 338.782 3.749 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000876677930 1137658971 /nfs/dbraw/zinc/65/89/71/1137658971.db2.gz GDHVGEHDAZCUTM-OALUTQOASA-N 0 3 340.854 3.783 20 30 EHEDHN N#Cc1cccc(CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000876804981 1137661818 /nfs/dbraw/zinc/66/18/18/1137661818.db2.gz WCMYMLCFZBGVOL-QZTJIDSGSA-N 0 3 341.480 3.883 20 30 EHEDHN CC(C)Oc1ccc(CCNCc2cc(C#N)cnc2Cl)cc1 ZINC000876898218 1137664799 /nfs/dbraw/zinc/66/47/99/1137664799.db2.gz KFQVOSDGVSAJNY-UHFFFAOYSA-N 0 3 329.831 3.726 20 30 EHEDHN C[C@H](NCc1cc(C#N)cnc1Cl)[C@H]1Oc2ccccc2[C@H]1C ZINC000877076719 1137669573 /nfs/dbraw/zinc/66/95/73/1137669573.db2.gz PSJISKLSWBFILV-PEBVRCNWSA-N 0 3 327.815 3.649 20 30 EHEDHN Cc1ccc(O[C@H]2CCCN(Cc3ccc(OCC#N)cc3)C2)cc1 ZINC001137119377 1137674729 /nfs/dbraw/zinc/67/47/29/1137674729.db2.gz KLFJIJIHMBKYRD-NRFANRHFSA-N 0 3 336.435 3.941 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H](NCC3(C#N)CCC3)CC[C@@H]21 ZINC000877594010 1137682375 /nfs/dbraw/zinc/68/23/75/1137682375.db2.gz MJAFDGTVFBZBTH-IKGGRYGDSA-N 0 3 347.503 3.838 20 30 EHEDHN CC(C)(C)c1csc(CC2(O)CCN(CCC(C)(C)C#N)CC2)n1 ZINC000879613315 1137752510 /nfs/dbraw/zinc/75/25/10/1137752510.db2.gz HHHRCGPKBNKLIB-UHFFFAOYSA-N 0 3 349.544 3.750 20 30 EHEDHN CN(Cc1nc(C#N)cs1)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000880362066 1137776292 /nfs/dbraw/zinc/77/62/92/1137776292.db2.gz MYLAMVGPUAZPHX-SFHVURJKSA-N 0 3 340.496 3.501 20 30 EHEDHN C#CCC1(O)CCN(Cc2cccc(SC(F)(F)F)c2)CC1 ZINC000880481197 1137779876 /nfs/dbraw/zinc/77/98/76/1137779876.db2.gz OBJJPHLQGOWFEK-UHFFFAOYSA-N 0 3 329.387 3.649 20 30 EHEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCC[C@]23CCCO3)c1 ZINC000880502616 1137780175 /nfs/dbraw/zinc/78/01/75/1137780175.db2.gz KVEAZLKUNKWBEW-CVEARBPZSA-N 0 3 335.245 3.512 20 30 EHEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3CC#Cc2ccc(Cl)cc2)cn1 ZINC000880519258 1137780501 /nfs/dbraw/zinc/78/05/01/1137780501.db2.gz KVSLEGVZBIXNLD-XGSMCBPESA-N 0 3 339.870 3.836 20 30 EHEDHN CSCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000131027801 1137845192 /nfs/dbraw/zinc/84/51/92/1137845192.db2.gz NWAIWBZYOYYZLO-JTQLQIEISA-N 0 3 345.251 3.784 20 30 EHEDHN COCc1c(C)cc(C)c(CNCc2ccc(C#N)c(OC)c2)c1C ZINC000883122085 1137845415 /nfs/dbraw/zinc/84/54/15/1137845415.db2.gz BCLBNRNTDINSIX-UHFFFAOYSA-N 0 3 338.451 3.928 20 30 EHEDHN C=CCC[C@H](Cc1ccccc1)NCc1ccccc1S(C)(=O)=O ZINC000883227894 1137849554 /nfs/dbraw/zinc/84/95/54/1137849554.db2.gz ANJBDWDOOOIQFV-LJQANCHMSA-N 0 3 343.492 3.757 20 30 EHEDHN C=CCC[C@H](NCc1nc(-c2ccncc2)cs1)[C@@H]1CCCO1 ZINC000883244002 1137850196 /nfs/dbraw/zinc/85/01/96/1137850196.db2.gz CIVJUBKLOVXIIX-RDJZCZTQSA-N 0 3 329.469 3.809 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)CC1 ZINC000883342139 1137856025 /nfs/dbraw/zinc/85/60/25/1137856025.db2.gz LSWYTBKTEBWJQS-JXFKEZNVSA-N 0 3 339.483 3.671 20 30 EHEDHN Cc1cncc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000132006192 1137862089 /nfs/dbraw/zinc/86/20/89/1137862089.db2.gz CQDNDIQUVLFXLU-CQSZACIVSA-N 0 3 348.189 3.658 20 30 EHEDHN CCC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1[O-] ZINC000103479537 1137876542 /nfs/dbraw/zinc/87/65/42/1137876542.db2.gz NEICOUHKRBTGBQ-UHFFFAOYSA-N 0 3 337.423 3.505 20 30 EHEDHN CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1[O-] ZINC000103479537 1137876543 /nfs/dbraw/zinc/87/65/43/1137876543.db2.gz NEICOUHKRBTGBQ-UHFFFAOYSA-N 0 3 337.423 3.505 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000106255382 1137883078 /nfs/dbraw/zinc/88/30/78/1137883078.db2.gz OJMPVBMUSPMRPB-CQSZACIVSA-N 0 3 335.879 3.741 20 30 EHEDHN CCCN(C(=O)C1CC2(C1)CNC[C@H]2C#N)[C@@H](CC)c1ccccc1 ZINC000884086113 1137905604 /nfs/dbraw/zinc/90/56/04/1137905604.db2.gz NJVBREQWZNEJJH-LSNYBQGISA-N 0 3 339.483 3.516 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000113325491 1137912785 /nfs/dbraw/zinc/91/27/85/1137912785.db2.gz JCUOGTYXTPVDAA-HNNXBMFYSA-N 0 3 325.408 3.567 20 30 EHEDHN C[C@H](NC[C@@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1F ZINC000348323063 1137952588 /nfs/dbraw/zinc/95/25/88/1137952588.db2.gz JCPMZWUYJPNQRI-JSGCOSHPSA-N 0 3 332.806 3.777 20 30 EHEDHN C[C@H](NCCOc1ccccc1C#N)c1cnn(Cc2ccccc2)c1 ZINC000348360907 1138043012 /nfs/dbraw/zinc/04/30/12/1138043012.db2.gz BIKIGGARWLYNAA-KRWDZBQOSA-N 0 3 346.434 3.533 20 30 EHEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1nc2ccccc2n1C(F)F ZINC000886158003 1138054055 /nfs/dbraw/zinc/05/40/55/1138054055.db2.gz PJBYMQWSCIPMCL-CHWSQXEVSA-N 0 3 348.397 3.527 20 30 EHEDHN CCOc1cc(CNCc2ccc(SC)c(C#N)c2)ccc1OC ZINC000886279365 1138063996 /nfs/dbraw/zinc/06/39/96/1138063996.db2.gz WZJOXNLUNAFLRB-UHFFFAOYSA-N 0 3 342.464 3.977 20 30 EHEDHN CC(C)[C@H](Cc1ccccc1)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000886423585 1138074572 /nfs/dbraw/zinc/07/45/72/1138074572.db2.gz HWHJLKFRVMEELU-IBGZPJMESA-N 0 3 346.434 3.965 20 30 EHEDHN C#CCC1(NCc2cc(-c3ccc(Cl)cc3)no2)CCOCC1 ZINC000887125811 1138219215 /nfs/dbraw/zinc/21/92/15/1138219215.db2.gz KIZDTVYPHXLKJU-UHFFFAOYSA-N 0 3 330.815 3.657 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccc(Cl)cc2)CC1 ZINC000264410314 1138504648 /nfs/dbraw/zinc/50/46/48/1138504648.db2.gz SXLPFEFLXZTIEK-UHFFFAOYSA-N 0 3 349.906 3.912 20 30 EHEDHN N#CCOc1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000264529144 1138548501 /nfs/dbraw/zinc/54/85/01/1138548501.db2.gz CVFWTVDMFOGZTO-OAQYLSRUSA-N 0 3 336.435 3.770 20 30 EHEDHN CCCN(C(=O)CCCC#N)C1CCN(Cc2ccccc2)CC1 ZINC000889489602 1139218622 /nfs/dbraw/zinc/21/86/22/1139218622.db2.gz PXTLXJKNLTXXRC-UHFFFAOYSA-N 0 3 327.472 3.583 20 30 EHEDHN CC[C@@H]1Oc2cc([C@@H](C)NCc3cccc(C#N)c3)ccc2NC1=O ZINC000174139384 1139401307 /nfs/dbraw/zinc/40/13/07/1139401307.db2.gz QHOGYVLSNXZKLX-ACJLOTCBSA-N 0 3 335.407 3.519 20 30 EHEDHN CN(CCCC(C)(C)C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000174857292 1139446150 /nfs/dbraw/zinc/44/61/50/1139446150.db2.gz BXRQPYCVFBTPSM-MRXNPFEDSA-N 0 3 333.863 3.707 20 30 EHEDHN CCC(CC)CN(CCC#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000176338272 1139552923 /nfs/dbraw/zinc/55/29/23/1139552923.db2.gz COTSCUJOOGEPQJ-UHFFFAOYSA-N 0 3 330.476 3.932 20 30 EHEDHN CC(C)[C@H](NCc1ccc(C#N)s1)c1ccc2c(c1)OCCO2 ZINC000176942914 1139588864 /nfs/dbraw/zinc/58/88/64/1139588864.db2.gz AXAVUMSCLCCRIT-SFHVURJKSA-N 0 3 328.437 3.878 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000180178674 1139815863 /nfs/dbraw/zinc/81/58/63/1139815863.db2.gz PEWHJKQAVKBYQS-UHFFFAOYSA-N 0 3 346.780 3.739 20 30 EHEDHN COc1cc(O)c(CN[C@@H](CCC#N)c2ccccc2)cc1OC ZINC000182655879 1139984859 /nfs/dbraw/zinc/98/48/59/1139984859.db2.gz PGSHUKGJHXJNLU-INIZCTEOSA-N 0 3 326.396 3.544 20 30 EHEDHN C=CC[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000184282756 1140092580 /nfs/dbraw/zinc/09/25/80/1140092580.db2.gz QNQWCHZNWOIORG-LLVKDONJSA-N 0 3 336.775 3.535 20 30 EHEDHN N#CC(C(=O)c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cn1 ZINC000047371680 201108010 /nfs/dbraw/zinc/10/80/10/201108010.db2.gz WIQJSAULRYYBQP-SNVBAGLBSA-N 0 3 326.224 3.869 20 30 EHEDHN N#CC(C(=O)C=Cc1ccccc1OC(F)(F)F)c1ccccn1 ZINC000049457685 1014171141 /nfs/dbraw/zinc/17/11/41/1014171141.db2.gz DOXYYHFAGJCZFG-MMQHEFTJSA-N 0 3 332.281 3.870 20 30 EHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000320902182 1014547990 /nfs/dbraw/zinc/54/79/90/1014547990.db2.gz DUHFYDHBASWTNO-MRXNPFEDSA-N 0 3 346.883 3.803 20 30 EHEDHN C=CCCCCN1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001209200115 1015930809 /nfs/dbraw/zinc/93/08/09/1015930809.db2.gz GVWGGXOPOWOVEF-SXLOBPIMSA-N 0 3 332.488 3.547 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCN(C)c4ccccc43)nc21 ZINC000892706681 1016982124 /nfs/dbraw/zinc/98/21/24/1016982124.db2.gz XDQZNRSSTVVHOF-CVEARBPZSA-N 0 3 344.418 3.671 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CCN(C)c4ccccc43)[nH]c21 ZINC000892706681 1016982135 /nfs/dbraw/zinc/98/21/35/1016982135.db2.gz XDQZNRSSTVVHOF-CVEARBPZSA-N 0 3 344.418 3.671 20 30 EHEDHN CN(C)Cc1ccc(-c2noc(-c3[nH]c4ccccc4c3C#N)n2)cc1 ZINC000904625299 1032164283 /nfs/dbraw/zinc/16/42/83/1032164283.db2.gz PIVCBHJQNYRIHD-UHFFFAOYSA-N 0 3 343.390 3.818 20 30 EHEDHN Cc1cccc([C@@H](NCC(=O)NCc2ccc(C#N)cc2)C(C)(C)C)c1 ZINC000538235013 1032241828 /nfs/dbraw/zinc/24/18/28/1032241828.db2.gz RTHHIGAZDBHESC-OAQYLSRUSA-N 0 3 349.478 3.860 20 30 EHEDHN CCO[C@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C12CCC2 ZINC000537308478 1032616527 /nfs/dbraw/zinc/61/65/27/1032616527.db2.gz RNQSVIPHJQMGSJ-SJORKVTESA-N 0 3 337.385 3.994 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593039861 1032676179 /nfs/dbraw/zinc/67/61/79/1032676179.db2.gz GUWFHOYPJKFXCO-STQMWFEESA-N 0 3 326.318 3.553 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N1CCC(c2c[nH]c3c2cccc3CC)CC1 ZINC000340403229 1017405053 /nfs/dbraw/zinc/40/50/53/1017405053.db2.gz APWJRBGSXDSPJO-OAHLLOKOSA-N 0 3 339.483 3.600 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2Cc3ccccc3[C@@H]2CC)CC1 ZINC000892852296 1017584625 /nfs/dbraw/zinc/58/46/25/1017584625.db2.gz ZIKGICILOLZVNJ-IBGZPJMESA-N 0 3 327.472 3.703 20 30 EHEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1scc(C)c1C#N)c1ccco1 ZINC000574169159 1032747802 /nfs/dbraw/zinc/74/78/02/1032747802.db2.gz DCTOEUZMJUTRDA-TZMCWYRMSA-N 0 3 346.456 3.772 20 30 EHEDHN C=CCc1cc(CN2CCC(c3ccncc3)CC2)cc(OC)c1O ZINC000377692102 1018203352 /nfs/dbraw/zinc/20/33/52/1018203352.db2.gz GNKFQOWZBUXJKT-UHFFFAOYSA-N 0 3 338.451 3.904 20 30 EHEDHN Cn1cc(CN[C@@H]2CCc3c2ccc(F)c3Br)cc1C#N ZINC000449548034 1032770379 /nfs/dbraw/zinc/77/03/79/1032770379.db2.gz KWKBGCQQKULWIE-OAHLLOKOSA-N 0 3 348.219 3.575 20 30 EHEDHN CC[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)C(=O)NCc1cccs1 ZINC000592397905 1032771968 /nfs/dbraw/zinc/77/19/68/1032771968.db2.gz UYCBUVCEJXBVHG-ZWKOTPCHSA-N 0 3 341.480 3.755 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)NCCN(C)Cc1ccccc1 ZINC000054762380 1032779124 /nfs/dbraw/zinc/77/91/24/1032779124.db2.gz CWRLZECAHAEOPA-UHFFFAOYSA-N 0 3 343.496 3.578 20 30 EHEDHN C[C@@H](c1ccc(F)cc1F)N1CCN(CC2CCC(C#N)CC2)CC1 ZINC001167359706 1018705371 /nfs/dbraw/zinc/70/53/71/1018705371.db2.gz GMSOHHLQRXBFAO-GTPINHCMSA-N 0 3 347.453 3.973 20 30 EHEDHN C[C@H]1CC(F)(F)CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000528771065 1032791506 /nfs/dbraw/zinc/79/15/06/1032791506.db2.gz RZZYQVZIOZKVON-NSHDSACASA-N 0 3 341.789 3.660 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1F ZINC000594020039 1032792202 /nfs/dbraw/zinc/79/22/02/1032792202.db2.gz XRYYSSKIKVLORQ-OAHLLOKOSA-N 0 3 331.416 3.828 20 30 EHEDHN CCN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000129186456 1018966296 /nfs/dbraw/zinc/96/62/96/1018966296.db2.gz UKCWMADKAOMIFD-FQEVSTJZSA-N 0 3 348.450 3.687 20 30 EHEDHN COc1cc([C@H](C)NCc2ccc(C#N)cc2C)cc(OC)c1OC ZINC000614407497 1018999570 /nfs/dbraw/zinc/99/95/70/1018999570.db2.gz SIKQDNUHTDBWDS-AWEZNQCLSA-N 0 3 340.423 3.743 20 30 EHEDHN Cc1cc(C#N)ccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528779226 1032811895 /nfs/dbraw/zinc/81/18/95/1032811895.db2.gz SUGHEGWHPAHYOK-UHFFFAOYSA-N 0 3 331.419 3.534 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccc2ccccc2c1 ZINC000175947263 1019385282 /nfs/dbraw/zinc/38/52/82/1019385282.db2.gz LSSXAFADLSKSEA-KUHUBIRLSA-N 0 3 334.419 3.711 20 30 EHEDHN Cc1cc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc(C)c1C#N ZINC001125467012 1019901083 /nfs/dbraw/zinc/90/10/83/1019901083.db2.gz OZQCIIADZHGGBS-FXAWDEMLSA-N 0 3 347.462 3.740 20 30 EHEDHN N#Cc1cccc(OC2CCN(Cc3ccc4nccnc4c3)CC2)c1 ZINC000602451322 1032881492 /nfs/dbraw/zinc/88/14/92/1032881492.db2.gz FRUCMFNYRJFDLQ-UHFFFAOYSA-N 0 3 344.418 3.545 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)CCC#N ZINC000602433236 1032886840 /nfs/dbraw/zinc/88/68/40/1032886840.db2.gz MJWPJIKUIQXRPK-CYBMUJFWSA-N 0 3 341.377 3.906 20 30 EHEDHN CN(C)Cc1ccc(-c2noc(/C=C/c3ccccc3C#N)n2)cc1 ZINC000610482955 1020466275 /nfs/dbraw/zinc/46/62/75/1020466275.db2.gz MMCGRGIMZJORAQ-VAWYXSNFSA-N 0 3 330.391 3.840 20 30 EHEDHN CC[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)N(CC)CC ZINC000345800793 1020514173 /nfs/dbraw/zinc/51/41/73/1020514173.db2.gz OYZDHYYTSAGWLJ-HXUWFJFHSA-N 0 3 335.451 3.540 20 30 EHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(COc2ccccc2)n1 ZINC000280717418 1020604100 /nfs/dbraw/zinc/60/41/00/1020604100.db2.gz URPBGFWNDAVYNF-HNAYVOBHSA-N 0 3 344.480 3.793 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419458037 1020652000 /nfs/dbraw/zinc/65/20/00/1020652000.db2.gz YIPQEZSZWNIBTC-MSOLQXFVSA-N 0 3 335.536 3.883 20 30 EHEDHN CC[C@@H](C/N=C/c1cccc(OC)c1O)N1CCc2ccccc2C1 ZINC000075533132 1021167543 /nfs/dbraw/zinc/16/75/43/1021167543.db2.gz CKPQAFBLDYKLML-MEGCXXLRSA-N 0 3 338.451 3.657 20 30 EHEDHN CCC[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C(C)C ZINC000120833964 1021253141 /nfs/dbraw/zinc/25/31/41/1021253141.db2.gz MLCHYPLFIJZHOD-LJQANCHMSA-N 0 3 329.488 3.521 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000664875327 1021407775 /nfs/dbraw/zinc/40/77/75/1021407775.db2.gz GCKWITVVOQSNGA-WCXIOVBPSA-N 0 3 331.460 3.601 20 30 EHEDHN CCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(CC)cc2)s1 ZINC000140322513 1021538717 /nfs/dbraw/zinc/53/87/17/1021538717.db2.gz IGSKVWXWPGHOII-CQSZACIVSA-N 0 3 341.436 3.538 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000519876141 1021731751 /nfs/dbraw/zinc/73/17/51/1021731751.db2.gz XFQLMRVZXLHQRH-BEFAXECRSA-N 0 3 342.870 3.904 20 30 EHEDHN COC(=O)C(C)(C)[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000612118943 1033012256 /nfs/dbraw/zinc/01/22/56/1033012256.db2.gz STIGLZNAUUJPMM-IBGZPJMESA-N 0 3 336.435 3.783 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1cccc(C#N)c1 ZINC000178176430 1021931561 /nfs/dbraw/zinc/93/15/61/1021931561.db2.gz HCDSMZJFBOJOFF-LSDHHAIUSA-N 0 3 335.407 3.927 20 30 EHEDHN C[C@@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(C#N)cc1 ZINC000520216467 1022033643 /nfs/dbraw/zinc/03/36/43/1022033643.db2.gz KDYWESSCXVZOJJ-IERDGZPVSA-N 0 3 336.435 3.967 20 30 EHEDHN CN(CC#Cc1ccc(OC(F)(F)F)cc1)CCC1CCOCC1 ZINC000156854209 1022322780 /nfs/dbraw/zinc/32/27/80/1022322780.db2.gz HNUNTFRYETVKFS-UHFFFAOYSA-N 0 3 341.373 3.685 20 30 EHEDHN N#CC(C(=O)C1CCc2ccccc2CC1)c1nc2ccccc2[nH]1 ZINC000528906398 1033050324 /nfs/dbraw/zinc/05/03/24/1033050324.db2.gz BXGRAQLVFNBDTC-KRWDZBQOSA-N 0 3 329.403 3.934 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000438176633 1022440797 /nfs/dbraw/zinc/44/07/97/1022440797.db2.gz LIFQOTRIKZPQCR-FQEVSTJZSA-N 0 3 335.451 3.970 20 30 EHEDHN C[C@H]1C[C@@H]1c1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000506260718 1022741807 /nfs/dbraw/zinc/74/18/07/1022741807.db2.gz ZQOWTKGSDRMQIE-UWJYYQICSA-N 0 3 349.478 3.983 20 30 EHEDHN CC(C)C[C@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000342061448 1023812661 /nfs/dbraw/zinc/81/26/61/1023812661.db2.gz TZAKDNXNRSXOPC-LJQANCHMSA-N 0 3 327.472 3.834 20 30 EHEDHN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000439267477 1024091961 /nfs/dbraw/zinc/09/19/61/1024091961.db2.gz SCIOMUMYUOSKGI-OAQYLSRUSA-N 0 3 338.451 3.730 20 30 EHEDHN O=C(C[C@H]1C=CCCC1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000330235046 1024365909 /nfs/dbraw/zinc/36/59/09/1024365909.db2.gz SZZRQQNOYPXMLC-INIZCTEOSA-N 0 3 328.456 3.978 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000187710509 1024393647 /nfs/dbraw/zinc/39/36/47/1024393647.db2.gz YKZVTKBCDNIUJO-OXJNMPFZSA-N 0 3 328.456 3.669 20 30 EHEDHN C=CCCCCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000320522913 1024416557 /nfs/dbraw/zinc/41/65/57/1024416557.db2.gz MRKRRLMWRFEAHG-INIZCTEOSA-N 0 3 325.449 3.770 20 30 EHEDHN COCCOc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000346160021 1024474178 /nfs/dbraw/zinc/47/41/78/1024474178.db2.gz BQACSXRCDFHEGH-CQSZACIVSA-N 0 3 328.387 3.573 20 30 EHEDHN Cc1cc(C)cc([C@H](C)N[C@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000434880565 1024479632 /nfs/dbraw/zinc/47/96/32/1024479632.db2.gz PCTUGJMJPRLAMP-YOEHRIQHSA-N 0 3 339.464 3.693 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ncc(Br)cc1F ZINC000280956818 1024489508 /nfs/dbraw/zinc/48/95/08/1024489508.db2.gz YGZYYBWCPYKANS-RWSFTLGLSA-N 0 3 343.240 3.615 20 30 EHEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000522418997 1024537615 /nfs/dbraw/zinc/53/76/15/1024537615.db2.gz YEHSYLOANYILCG-IEBWSBKVSA-N 0 3 339.483 3.549 20 30 EHEDHN C#CCC1(O)CCN(Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000895670956 1024717462 /nfs/dbraw/zinc/71/74/62/1024717462.db2.gz YNKPQHCWKZZIGT-UHFFFAOYSA-N 0 3 335.447 3.712 20 30 EHEDHN CN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccccc1 ZINC000281221578 1024761082 /nfs/dbraw/zinc/76/10/82/1024761082.db2.gz OJICSPWRPFSMNV-WOJBJXKFSA-N 0 3 347.462 3.663 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000097079359 1024977527 /nfs/dbraw/zinc/97/75/27/1024977527.db2.gz OJVIWTCIWKIFOS-KDOFPFPSSA-N 0 3 333.451 3.511 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@](C)(CNCC2(C#N)CCCC2)C1 ZINC000895141255 1024997117 /nfs/dbraw/zinc/99/71/17/1024997117.db2.gz JMEPMJUGZQLAMR-GOSISDBHSA-N 0 3 335.492 3.697 20 30 EHEDHN N#Cc1ccc(C2CCN(Cc3cnc4ccccc4c3)CC2)nc1 ZINC000602905770 1033254239 /nfs/dbraw/zinc/25/42/39/1033254239.db2.gz BKTDDUHADQFKQT-UHFFFAOYSA-N 0 3 328.419 3.881 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2nc3c(s2)CCCCCC3)CC1 ZINC000441917009 1025099106 /nfs/dbraw/zinc/09/91/06/1025099106.db2.gz HSVXIBGQXSQOGA-UHFFFAOYSA-N 0 3 348.516 3.574 20 30 EHEDHN C=CCS(=O)(=O)CCN[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000783531922 1025128058 /nfs/dbraw/zinc/12/80/58/1025128058.db2.gz NSUQXQVAIKAPEY-HNNXBMFYSA-N 0 3 349.418 3.593 20 30 EHEDHN C[C@@H]1C[C@@H](CCN[C@H](C(N)=O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000435880043 1025198377 /nfs/dbraw/zinc/19/83/77/1025198377.db2.gz HELTWXIKPKHNQE-KYJSFNMBSA-N 0 3 327.472 3.527 20 30 EHEDHN COc1cc(CN2CCC(COc3ccccc3)CC2)ccc1C#N ZINC000442800864 1025493521 /nfs/dbraw/zinc/49/35/21/1025493521.db2.gz NIGMCMNCKCJVIA-UHFFFAOYSA-N 0 3 336.435 3.858 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000896530642 1025515347 /nfs/dbraw/zinc/51/53/47/1025515347.db2.gz GIFCVFDGXJLFAV-NVXWUHKLSA-N 0 3 341.480 3.889 20 30 EHEDHN N#Cc1cc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000892225123 1025633822 /nfs/dbraw/zinc/63/38/22/1025633822.db2.gz MTAGWWOGBANNIM-FUHWJXTLSA-N 0 3 330.428 3.847 20 30 EHEDHN Cc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2cccc(C#N)c2)s1 ZINC000436377369 1025644894 /nfs/dbraw/zinc/64/48/94/1025644894.db2.gz HBBGSICQLHQNOF-ZDUSSCGKSA-N 0 3 342.468 3.653 20 30 EHEDHN Cc1ccc(C)c(OC[C@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425543007 1025694208 /nfs/dbraw/zinc/69/42/08/1025694208.db2.gz RJAXSCVBKMAHFM-FXAWDEMLSA-N 0 3 338.451 3.608 20 30 EHEDHN Cc1csc(C(C#N)C(=O)Nc2ncc(-c3ccccc3)s2)n1 ZINC000121702824 1025726288 /nfs/dbraw/zinc/72/62/88/1025726288.db2.gz VQYOXSKGXRRUKH-GFCCVEGCSA-N 0 3 340.433 3.821 20 30 EHEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccc4cnccc4c3)C2)nc1 ZINC000896652629 1025810433 /nfs/dbraw/zinc/81/04/33/1025810433.db2.gz DDWDUNQWRLXJNA-HXUWFJFHSA-N 0 3 343.434 3.578 20 30 EHEDHN C=C1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000522000661 1025865673 /nfs/dbraw/zinc/86/56/73/1025865673.db2.gz ATKSULPWMACKLU-GOSISDBHSA-N 0 3 326.484 3.508 20 30 EHEDHN Cc1nn(-c2ccncc2)cc1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000544369658 1025903629 /nfs/dbraw/zinc/90/36/29/1025903629.db2.gz IRHOPIIRYCJCOF-UHFFFAOYSA-N 0 3 343.434 3.612 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)c1cccc(C#N)c1C)c1ccsc1 ZINC000338162491 1025940716 /nfs/dbraw/zinc/94/07/16/1025940716.db2.gz QSRISKVLCSMJMC-GOSISDBHSA-N 0 3 341.480 3.741 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000178569133 1026013634 /nfs/dbraw/zinc/01/36/34/1026013634.db2.gz JKKDKPMGUDBKBK-BEFAXECRSA-N 0 3 348.450 3.651 20 30 EHEDHN C=CCCn1cc(CN[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)nn1 ZINC000657490988 1026740090 /nfs/dbraw/zinc/74/00/90/1026740090.db2.gz QBBVHSYRNDRGEY-DOTOQJQBSA-N 0 3 330.863 3.934 20 30 EHEDHN COc1ccc2c(c1)CCCN(CCCOc1cccc(C#N)c1)C2 ZINC000531658633 1027166489 /nfs/dbraw/zinc/16/64/89/1027166489.db2.gz CHJYHCHWHWLASV-UHFFFAOYSA-N 0 3 336.435 3.784 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](CC2CC2)C1 ZINC000582732857 1027210487 /nfs/dbraw/zinc/21/04/87/1027210487.db2.gz KROMIRSENLDABX-NVXWUHKLSA-N 0 3 332.513 3.773 20 30 EHEDHN CCCCc1ccc([C@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000525893808 1027474005 /nfs/dbraw/zinc/47/40/05/1027474005.db2.gz ZJKCBXLIJHYEQX-HXUWFJFHSA-N 0 3 341.499 3.878 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2nccc(C#N)c2Cl)C1 ZINC000324083925 1028322057 /nfs/dbraw/zinc/32/20/57/1028322057.db2.gz ZPZMAGXQMSPYDM-HNNXBMFYSA-N 0 3 340.858 3.565 20 30 EHEDHN COc1ccc(CNCc2cccc(-c3ccccn3)c2)cc1C#N ZINC000178751658 1028590344 /nfs/dbraw/zinc/59/03/44/1028590344.db2.gz KZPKFWUXAPCFBI-UHFFFAOYSA-N 0 3 329.403 3.919 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000424066886 1028774614 /nfs/dbraw/zinc/77/46/14/1028774614.db2.gz OGJIJKUTWFSJIA-MSOLQXFVSA-N 0 3 341.842 3.567 20 30 EHEDHN Cc1ccccc1CN(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424089927 1028794447 /nfs/dbraw/zinc/79/44/47/1028794447.db2.gz BENZHAOIIJVORO-FQEVSTJZSA-N 0 3 335.451 3.545 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC000424099222 1028800703 /nfs/dbraw/zinc/80/07/03/1028800703.db2.gz UWOASXLWZDITHY-OAHLLOKOSA-N 0 3 339.443 3.501 20 30 EHEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000424114381 1028810411 /nfs/dbraw/zinc/81/04/11/1028810411.db2.gz QSRTXECUZAOARQ-KXBFYZLASA-N 0 3 337.423 3.677 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000424115044 1028813069 /nfs/dbraw/zinc/81/30/69/1028813069.db2.gz SZBFSQBNGJDDGN-RBUKOAKNSA-N 0 3 327.472 3.835 20 30 EHEDHN C=CCn1cc(CN[C@H](C)CCc2ccc(C(F)(F)F)cc2)nn1 ZINC000424290370 1028930756 /nfs/dbraw/zinc/93/07/56/1028930756.db2.gz BNKOWQUFMIXJLK-CYBMUJFWSA-N 0 3 338.377 3.594 20 30 EHEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)nn1 ZINC000424294160 1028936640 /nfs/dbraw/zinc/93/66/40/1028936640.db2.gz JXPIMHNKIKHJCT-NVXWUHKLSA-N 0 3 330.863 3.934 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](C)[C@@H](C)[C@@H]2C)c1C ZINC000419336765 1028959975 /nfs/dbraw/zinc/95/99/75/1028959975.db2.gz AOQKCGQVHJTRBF-JZXOWHBKSA-N 0 3 327.472 3.526 20 30 EHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCOc3cc(Br)ccc32)C1 ZINC000424330775 1028979732 /nfs/dbraw/zinc/97/97/32/1028979732.db2.gz RCUFBWVZVAEBJE-LNSITVRQSA-N 0 3 335.245 3.945 20 30 EHEDHN C=CCCCN(C)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000076734451 1029041169 /nfs/dbraw/zinc/04/11/69/1029041169.db2.gz YEAMHBYZJGTZOG-CQSZACIVSA-N 0 3 331.485 3.541 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2C)CC1 ZINC000454556785 1029041793 /nfs/dbraw/zinc/04/17/93/1029041793.db2.gz ZERWSDONEXPETA-LJQANCHMSA-N 0 3 345.462 3.631 20 30 EHEDHN CC(C)(C#N)CCCCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000278154945 1029377280 /nfs/dbraw/zinc/37/72/80/1029377280.db2.gz OSCUISBJNAXHIA-UHFFFAOYSA-N 0 3 345.462 3.694 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000524668274 1029427122 /nfs/dbraw/zinc/42/71/22/1029427122.db2.gz BIPIVLPEYYKDNA-ROUUACIJSA-N 0 3 335.536 3.931 20 30 EHEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC1CCC1 ZINC000533302891 1029606123 /nfs/dbraw/zinc/60/61/23/1029606123.db2.gz CPWIMCGUFZGIDH-CYBMUJFWSA-N 0 3 345.512 3.948 20 30 EHEDHN C=CCN(Cc1ccccc1F)C(=O)c1cccc(CN(C)C)c1 ZINC000155889789 1029690447 /nfs/dbraw/zinc/69/04/47/1029690447.db2.gz WXYATFDAEKNJRF-UHFFFAOYSA-N 0 3 326.415 3.716 20 30 EHEDHN CCc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000531866440 1029936728 /nfs/dbraw/zinc/93/67/28/1029936728.db2.gz CKAYFGBQKPXOHT-OAHLLOKOSA-N 0 3 327.403 3.611 20 30 EHEDHN N#CCC[C@H](C#N)CNCC/C=C\c1ccc(Br)cc1 ZINC000600603782 1030044212 /nfs/dbraw/zinc/04/42/12/1030044212.db2.gz RLZUFQLZAUYABU-AIOIPUTFSA-N 0 3 332.245 3.886 20 30 EHEDHN C=CCC(CC=C)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000121204730 1030205583 /nfs/dbraw/zinc/20/55/83/1030205583.db2.gz FCUZEDVIPFPZOD-HXUWFJFHSA-N 0 3 342.483 3.717 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@H](C)c1cccc(O)c1 ZINC000121289819 1030238958 /nfs/dbraw/zinc/23/89/58/1030238958.db2.gz NNVAVHOWNXLCNV-UZLBHIALSA-N 0 3 341.451 3.553 20 30 EHEDHN CC[C@H](N[C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447546100 1030280850 /nfs/dbraw/zinc/28/08/50/1030280850.db2.gz YYSBQDGPPWFPKW-PMACEKPBSA-N 0 3 335.451 3.819 20 30 EHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C1CCCC1 ZINC000170983659 1030337953 /nfs/dbraw/zinc/33/79/53/1030337953.db2.gz VNWVXAGTGNSGPD-CQSZACIVSA-N 0 3 331.485 3.751 20 30 EHEDHN C=CCc1cc(CN(C)Cc2ccc(OC)cc2)cc(OC)c1O ZINC000159856413 1030387871 /nfs/dbraw/zinc/38/78/71/1030387871.db2.gz BTFMUSBVVAZJQM-UHFFFAOYSA-N 0 3 327.424 3.770 20 30 EHEDHN C=CCOc1ccc(CN[C@H]2CCO[C@H]2c2cccnc2)cc1Cl ZINC000343387926 1030630197 /nfs/dbraw/zinc/63/01/97/1030630197.db2.gz NGEPGNVUYAZSKH-HKUYNNGSSA-N 0 3 344.842 3.920 20 30 EHEDHN C#Cc1cccc(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000728574533 1030638290 /nfs/dbraw/zinc/63/82/90/1030638290.db2.gz DUJQXNIGIIGYGX-MRXNPFEDSA-N 0 3 345.427 3.590 20 30 EHEDHN C=C(C)CCc1noc(-c2ccc(N3CCN(C(C)C)CC3)cc2)n1 ZINC000508618035 1030659661 /nfs/dbraw/zinc/65/96/61/1030659661.db2.gz IORDDWHVMVVBOA-UHFFFAOYSA-N 0 3 340.471 3.776 20 30 EHEDHN CC(C)c1ccc([C@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000527135402 1030683915 /nfs/dbraw/zinc/68/39/15/1030683915.db2.gz TUUKNNRFDICLFP-LJQANCHMSA-N 0 3 327.472 3.659 20 30 EHEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000537652996 1030860412 /nfs/dbraw/zinc/86/04/12/1030860412.db2.gz VIEOQZPHUXHGDN-CABCVRRESA-N 0 3 326.415 3.834 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000527484614 1030909710 /nfs/dbraw/zinc/90/97/10/1030909710.db2.gz QDXMYNFTGBPTON-TYILLQQXSA-N 0 3 343.496 3.995 20 30 EHEDHN C[C@H](NC[C@@]1(C)COc2ccccc2O1)c1ccc(C#N)cc1F ZINC000527927011 1031421357 /nfs/dbraw/zinc/42/13/57/1031421357.db2.gz BVGGZPVCFCVCPG-DJJJIMSYSA-N 0 3 326.371 3.578 20 30 EHEDHN C[C@H](NC[C@]1(C)COc2ccccc2O1)c1ccc(C#N)cc1F ZINC000527927013 1031421996 /nfs/dbraw/zinc/42/19/96/1031421996.db2.gz BVGGZPVCFCVCPG-ORAYPTAESA-N 0 3 326.371 3.578 20 30 EHEDHN CCC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000192780395 1031678384 /nfs/dbraw/zinc/67/83/84/1031678384.db2.gz SABHGHSRHFGULZ-QGZVFWFLSA-N 0 3 325.412 3.838 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cccc(CC#N)c1)c1ccco1 ZINC000455904248 1031751390 /nfs/dbraw/zinc/75/13/90/1031751390.db2.gz KEWAKBKOLKWALG-WMLDXEAASA-N 0 3 340.427 3.597 20 30 EHEDHN CC(C)(C)OC(=O)[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000179960811 1031826511 /nfs/dbraw/zinc/82/65/11/1031826511.db2.gz AHURPGCTKOAQNP-KRWDZBQOSA-N 0 3 344.455 3.533 20 30 EHEDHN C[C@@H](NC(=O)Nc1cccc(CC#N)c1)[C@H](c1ccccc1)N(C)C ZINC000455910903 1031955489 /nfs/dbraw/zinc/95/54/89/1031955489.db2.gz UQBWCIFSISXWMH-DNVCBOLYSA-N 0 3 336.439 3.566 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594432593 1033369430 /nfs/dbraw/zinc/36/94/30/1033369430.db2.gz DNANUXJFEKIZHY-VBQJREDUSA-N 0 3 335.879 3.702 20 30 EHEDHN CCN(C(=O)[C@H](N)CCCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000594431271 1033369482 /nfs/dbraw/zinc/36/94/82/1033369482.db2.gz KTUOFMRBRXDTEQ-GDBMZVCRSA-N 0 3 327.428 3.754 20 30 EHEDHN Cc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1OCCC(C)C ZINC000594432552 1033369964 /nfs/dbraw/zinc/36/99/64/1033369964.db2.gz CTWGYHJRWIUTNY-QGZVFWFLSA-N 0 3 331.460 3.770 20 30 EHEDHN CC(C)[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1F ZINC000594445227 1033379058 /nfs/dbraw/zinc/37/90/58/1033379058.db2.gz INIIZZCEIXPLRE-HOTGVXAUSA-N 0 3 339.842 3.704 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000594447917 1033379085 /nfs/dbraw/zinc/37/90/85/1033379085.db2.gz XNGKJWPGRPQATD-IRXDYDNUSA-N 0 3 341.480 3.559 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000594427773 1033389215 /nfs/dbraw/zinc/38/92/15/1033389215.db2.gz WKFOHMFLLHJRTR-WBVHZDCISA-N 0 3 345.443 3.504 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2ccccc2)cc1 ZINC000173790936 1033528075 /nfs/dbraw/zinc/52/80/75/1033528075.db2.gz KGQPQMHOMXTWQM-MSOLQXFVSA-N 0 3 335.451 3.981 20 30 EHEDHN N#CC1(c2ccc(CNCc3ccc(Cn4cccn4)cc3)cc2)CC1 ZINC000594914170 1033541642 /nfs/dbraw/zinc/54/16/42/1033541642.db2.gz DVVCHFLHLZAPMV-UHFFFAOYSA-N 0 3 342.446 3.776 20 30 EHEDHN C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000595259921 1033724938 /nfs/dbraw/zinc/72/49/38/1033724938.db2.gz QNIATDGWELOBSA-GHTZIAJQSA-N 0 3 349.478 3.668 20 30 EHEDHN C=CC[C@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000595661268 1033939524 /nfs/dbraw/zinc/93/95/24/1033939524.db2.gz XYWXRRYUQDNJEL-KGLIPLIRSA-N 0 3 342.399 3.994 20 30 EHEDHN N#Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c(Cl)c1 ZINC000593101989 1033942767 /nfs/dbraw/zinc/94/27/67/1033942767.db2.gz MUWGWACQLPVGAA-MNOVXSKESA-N 0 3 346.736 3.898 20 30 EHEDHN Cc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2sccc2C#N)s1 ZINC000106877648 1033981203 /nfs/dbraw/zinc/98/12/03/1033981203.db2.gz AUEWWCLUUUFLNX-LLVKDONJSA-N 0 3 348.497 3.715 20 30 EHEDHN C#CCOc1ccc(CNCc2cc(OC)nc3ccccc23)cc1 ZINC000174582419 1033983408 /nfs/dbraw/zinc/98/34/08/1033983408.db2.gz QRMNIORMYQBLBP-UHFFFAOYSA-N 0 3 332.403 3.545 20 30 EHEDHN CC(C)(C)O[C@H]1C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCC2 ZINC000595778739 1033996474 /nfs/dbraw/zinc/99/64/74/1033996474.db2.gz UKWCHCXHEWEDOA-IRXDYDNUSA-N 0 3 343.427 3.682 20 30 EHEDHN C=CCOc1ccccc1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000599631713 1034057483 /nfs/dbraw/zinc/05/74/83/1034057483.db2.gz ZBPJAQAYLXANPB-KRWDZBQOSA-N 0 3 338.451 3.502 20 30 EHEDHN COc1ccc([C@@H]2CCN(Cc3ccc(OC)c(C#N)c3)C2)cc1F ZINC000599676951 1034083712 /nfs/dbraw/zinc/08/37/12/1034083712.db2.gz FWNCSPJPTRCWEQ-MRXNPFEDSA-N 0 3 340.398 3.704 20 30 EHEDHN C[C@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CCCO1 ZINC000179399806 1034277296 /nfs/dbraw/zinc/27/72/96/1034277296.db2.gz CBSZRESPYJIEEB-KRWDZBQOSA-N 0 3 336.435 3.748 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000604482187 1034389044 /nfs/dbraw/zinc/38/90/44/1034389044.db2.gz FKDMFQBNZKFGQW-YLJYHZDGSA-N 0 3 341.499 3.665 20 30 EHEDHN CC1(C)CO[C@H](CCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000892490310 1034839548 /nfs/dbraw/zinc/83/95/48/1034839548.db2.gz SICDCKPBJJTVCH-OLZOCXBDSA-N 0 3 348.830 3.583 20 30 EHEDHN CC[C@H]1[C@H](C)CCN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000185636763 1035507489 /nfs/dbraw/zinc/50/74/89/1035507489.db2.gz IKXTZGYDAWDVQE-AEFFLSMTSA-N 0 3 327.472 3.671 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000492275544 1035572424 /nfs/dbraw/zinc/57/24/24/1035572424.db2.gz XIBGQXREUYSAAU-HXUWFJFHSA-N 0 3 343.515 3.984 20 30 EHEDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCOCc1ccc(C#N)cc1 ZINC000581907827 1035652733 /nfs/dbraw/zinc/65/27/33/1035652733.db2.gz HWKHFTBPCCZGHB-OAHLLOKOSA-N 0 3 339.395 3.676 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000173647047 1035699735 /nfs/dbraw/zinc/69/97/35/1035699735.db2.gz XWCITULTYBJLHB-UHFFFAOYSA-N 0 3 341.377 3.563 20 30 EHEDHN C[C@@](O)(C1CCN(CCC2(C#N)CCCCC2)CC1)C(F)(F)F ZINC000571860017 1035787744 /nfs/dbraw/zinc/78/77/44/1035787744.db2.gz ZBDZZZJJOZKFNG-OAHLLOKOSA-N 0 3 332.410 3.876 20 30 EHEDHN C[C@H]1CCN(C(=O)CCCCCC#N)CCN1Cc1ccccc1 ZINC000588627109 1035920864 /nfs/dbraw/zinc/92/08/64/1035920864.db2.gz CMFBOWPMQZLNGI-SFHVURJKSA-N 0 3 327.472 3.583 20 30 EHEDHN CN1CCC(N(Cc2ccccc2)C(=O)CCCCCC#N)CC1 ZINC000588755468 1036026542 /nfs/dbraw/zinc/02/65/42/1036026542.db2.gz LCRLKTWQEVIWAG-UHFFFAOYSA-N 0 3 327.472 3.583 20 30 EHEDHN CCN(CC)[C@@H](C/N=C/c1cccc(OC)c1O)c1ccsc1 ZINC000032070403 1036039644 /nfs/dbraw/zinc/03/96/44/1036039644.db2.gz JEHCQPNXUQMBLB-ZVCOJXFSSA-N 0 3 332.469 3.964 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCc2cccs2)c1 ZINC000127527050 1036062243 /nfs/dbraw/zinc/06/22/43/1036062243.db2.gz QWJPDZCJNKMUQX-MRXNPFEDSA-N 0 3 326.421 3.727 20 30 EHEDHN N#Cc1ccc(CNCCOc2ccccc2F)c(C(F)(F)F)c1 ZINC000589309162 1036354687 /nfs/dbraw/zinc/35/46/87/1036354687.db2.gz NGZYURABFWNOLF-UHFFFAOYSA-N 0 3 338.304 3.885 20 30 EHEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@H](C)c2cccc(C#N)c2)c1 ZINC000462243680 1036730412 /nfs/dbraw/zinc/73/04/12/1036730412.db2.gz CAOUQBDSLRQPHX-GOSISDBHSA-N 0 3 349.478 3.561 20 30 EHEDHN CC(C)[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000590615077 1036968655 /nfs/dbraw/zinc/96/86/55/1036968655.db2.gz VYERUTDORKTWNY-SFHVURJKSA-N 0 3 347.890 3.969 20 30 EHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)c3cnc4n3CCC4)n2)cc1 ZINC000659041264 1036971246 /nfs/dbraw/zinc/97/12/46/1036971246.db2.gz GFJNIRBKDPYTDL-CQSZACIVSA-N 0 3 348.431 3.751 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000462472284 1037017423 /nfs/dbraw/zinc/01/74/23/1037017423.db2.gz XPIWMWCBEJOCBY-RLFYNMQTSA-N 0 3 339.439 3.500 20 30 EHEDHN C=CCOC(=O)N[C@@H]1CCCN([C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168193760 1037204109 /nfs/dbraw/zinc/20/41/09/1037204109.db2.gz QNUNAHNERATKOV-WMLDXEAASA-N 0 3 336.863 3.648 20 30 EHEDHN C[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(C#N)c(F)c1 ZINC000271916379 1037779232 /nfs/dbraw/zinc/77/92/32/1037779232.db2.gz GMJAIBKBTQYOKP-CQSZACIVSA-N 0 3 337.398 3.675 20 30 EHEDHN N#CCc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000114806889 1037811496 /nfs/dbraw/zinc/81/14/96/1037811496.db2.gz QFUUFOMFWWJPCU-FQEVSTJZSA-N 0 3 348.450 3.539 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000494162968 1037893638 /nfs/dbraw/zinc/89/36/38/1037893638.db2.gz HRKBUFCJYFEREC-YLJYHZDGSA-N 0 3 341.499 3.820 20 30 EHEDHN N#Cc1cc(CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)ccc1F ZINC000592166140 1037910131 /nfs/dbraw/zinc/91/01/31/1037910131.db2.gz GXOQCCVKLRQLMG-SFTDATJTSA-N 0 3 338.426 3.655 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000592343875 1037929899 /nfs/dbraw/zinc/92/98/99/1037929899.db2.gz LHSSFZXGDMYQKH-FQEVSTJZSA-N 0 3 341.499 3.786 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccc(CC)cc2)C(C)C)CC1 ZINC000592478363 1038004342 /nfs/dbraw/zinc/00/43/42/1038004342.db2.gz DOJGURCGTZILGT-HXUWFJFHSA-N 0 3 343.515 3.896 20 30 EHEDHN COc1cccc(F)c1[C@@H](C)NCCCOc1cccc(C#N)c1 ZINC000539358063 1038802045 /nfs/dbraw/zinc/80/20/45/1038802045.db2.gz NZRNNFVGEBCMPC-CQSZACIVSA-N 0 3 328.387 3.826 20 30 EHEDHN C=C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000462187224 1038826831 /nfs/dbraw/zinc/82/68/31/1038826831.db2.gz IMNLPAVYHHOOQS-DWLFOUALSA-N 0 3 348.490 3.983 20 30 EHEDHN COc1cc([C@@H](C)NCc2ccc(C#N)c(C)c2)cc(OC)c1OC ZINC000488158586 1038918265 /nfs/dbraw/zinc/91/82/65/1038918265.db2.gz PCZCJCGBIUIZHR-CQSZACIVSA-N 0 3 340.423 3.743 20 30 EHEDHN C=C(C)CNCc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000512395376 1038976911 /nfs/dbraw/zinc/97/69/11/1038976911.db2.gz UEJMPSLCXRDXQM-UHFFFAOYSA-N 0 3 334.261 3.917 20 30 EHEDHN Cc1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccc1C#N ZINC000488273514 1039027673 /nfs/dbraw/zinc/02/76/73/1039027673.db2.gz PZMXREGRFJGAIF-MRXNPFEDSA-N 0 3 348.372 3.919 20 30 EHEDHN Cc1cc(C)cc(OC[C@@H](O)CN[C@H](CCC#N)c2ccccc2)c1 ZINC000553385290 1040036785 /nfs/dbraw/zinc/03/67/85/1040036785.db2.gz WXXYLAWQDNEVHF-PZJWPPBQSA-N 0 3 338.451 3.678 20 30 EHEDHN Cc1ccc([C@@H]2C[C@H](C)N([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)cc1 ZINC000490106994 1040344240 /nfs/dbraw/zinc/34/42/40/1040344240.db2.gz ZNXGKKXIPFZTND-NEOGFGCTSA-N 0 3 341.499 3.616 20 30 EHEDHN COc1ccc([C@@H](CCO)NCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614179160 1040373800 /nfs/dbraw/zinc/37/38/00/1040373800.db2.gz GGZAGSUFPAJEFD-HXUWFJFHSA-N 0 3 338.451 3.710 20 30 EHEDHN C[C@H](NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc(C#N)cc1F ZINC000512667493 1040463130 /nfs/dbraw/zinc/46/31/30/1040463130.db2.gz PWIQBYSOKBOIGN-DJJJIMSYSA-N 0 3 329.394 3.790 20 30 EHEDHN C=CCC[C@H](NCc1nc2c(s1)COCC2)[C@@]1(C)CCCCO1 ZINC000927116181 1040542974 /nfs/dbraw/zinc/54/29/74/1040542974.db2.gz UDUBEZCKQQLXAM-FUHWJXTLSA-N 0 3 336.501 3.599 20 30 EHEDHN CCOC(=O)c1[nH]c(C)c(CN(C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000600167235 1040751870 /nfs/dbraw/zinc/75/18/70/1040751870.db2.gz QKMMDMFLEOVFPD-HNNXBMFYSA-N 0 3 339.439 3.873 20 30 EHEDHN N#CCCn1cc(CN2CCCC3(CC3)CC2)c(-c2ccncc2)n1 ZINC000600214534 1040854647 /nfs/dbraw/zinc/85/46/47/1040854647.db2.gz AJQJIQHKBQWWRH-UHFFFAOYSA-N 0 3 335.455 3.625 20 30 EHEDHN CS[C@H](C)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000156340513 1041125272 /nfs/dbraw/zinc/12/52/72/1041125272.db2.gz IMLNWYDIVVONJT-IUODEOHRSA-N 0 3 326.421 3.629 20 30 EHEDHN C=CC1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600417971 1041184573 /nfs/dbraw/zinc/18/45/73/1041184573.db2.gz LPJCOLLKOGDNHE-GOSISDBHSA-N 0 3 340.511 3.754 20 30 EHEDHN C=CCN(Cc1ccc(OCc2cccnc2)cc1)[C@H](C)COC ZINC000661243916 1042024584 /nfs/dbraw/zinc/02/45/84/1042024584.db2.gz PNPWILHKANJKNU-QGZVFWFLSA-N 0 3 326.440 3.684 20 30 EHEDHN C[C@@H](CO)[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000661438789 1042125659 /nfs/dbraw/zinc/12/56/59/1042125659.db2.gz WKJJCJIKZJEMFI-YOEHRIQHSA-N 0 3 325.374 3.540 20 30 EHEDHN CSC=CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000771583269 1133573353 /nfs/dbraw/zinc/57/33/53/1133573353.db2.gz SEOGBDXBBTXMOM-MOVJSRMASA-N 0 3 329.208 3.517 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000198201953 1042339940 /nfs/dbraw/zinc/33/99/40/1042339940.db2.gz ZNJQRTBVADAEQC-IFMALSPDSA-N 0 3 349.478 3.614 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000585753741 1043024367 /nfs/dbraw/zinc/02/43/67/1043024367.db2.gz NEYHONUJKVYZFU-UHFFFAOYSA-N 0 3 341.405 3.857 20 30 EHEDHN C=C(CNCc1nc2c(s1)CN(C(C)C)CC2)c1ccccc1 ZINC000344134750 1043309084 /nfs/dbraw/zinc/30/90/84/1043309084.db2.gz ZITBXYCMQCPSFS-UHFFFAOYSA-N 0 3 327.497 3.713 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000279664263 1044382147 /nfs/dbraw/zinc/38/21/47/1044382147.db2.gz ZAXBUNPOFMSQJP-UHFFFAOYSA-N 0 3 341.499 3.815 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1OC ZINC000183603511 1125616704 /nfs/dbraw/zinc/61/67/04/1125616704.db2.gz QDNZZJXVKSTNGB-ZBFHGGJFSA-N 0 3 340.423 3.933 20 30 EHEDHN C=CCn1c(SCCN2CCCCC2)nnc1-c1ccccc1 ZINC000072635515 1126808863 /nfs/dbraw/zinc/80/88/63/1126808863.db2.gz HPYPYCLJOKJDHQ-UHFFFAOYSA-N 0 3 328.485 3.709 20 30 EHEDHN COCc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000177715219 1126987511 /nfs/dbraw/zinc/98/75/11/1126987511.db2.gz LKGDDCGORTXWSX-UHFFFAOYSA-N 0 3 333.353 3.993 20 30 EHEDHN C=CC(C)(C)CCNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000623593239 1126992536 /nfs/dbraw/zinc/99/25/36/1126992536.db2.gz ZSQBNLNOEIROQY-UHFFFAOYSA-N 0 3 329.893 3.826 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000623634991 1126998385 /nfs/dbraw/zinc/99/83/85/1126998385.db2.gz MQLQMMRXHWJIHO-PMACEKPBSA-N 0 3 341.499 3.821 20 30 EHEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(F)c(Br)cc1F ZINC000623928609 1127215408 /nfs/dbraw/zinc/21/54/08/1127215408.db2.gz UXANBGBIDOFDEK-UWVGGRQHSA-N 0 3 334.204 3.563 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccccc1CN1CCCC1=O ZINC000921523485 1127625533 /nfs/dbraw/zinc/62/55/33/1127625533.db2.gz XMTVQHCIOLVDQI-UHFFFAOYSA-N 0 3 347.462 3.587 20 30 EHEDHN Cc1cc(C)n(-c2ccc(CNCc3c(C)cc(C#N)cc3C)cn2)n1 ZINC000921549252 1127726558 /nfs/dbraw/zinc/72/65/58/1127726558.db2.gz WCUSFBCSUKIPRB-UHFFFAOYSA-N 0 3 345.450 3.662 20 30 EHEDHN COc1cccc([C@H]2[C@@H](NCc3ccccc3C#N)CCN2C2CC2)c1 ZINC000338634365 1127941823 /nfs/dbraw/zinc/94/18/23/1127941823.db2.gz WTTJZLDAFPJFTR-VXKWHMMOSA-N 0 3 347.462 3.634 20 30 EHEDHN C[C@@H](NCC1CCC(C#N)CC1)c1ncc(Br)cc1F ZINC000282252402 1128130660 /nfs/dbraw/zinc/13/06/60/1128130660.db2.gz JOSIIFQDLRFVRN-VOMCLLRMSA-N 0 3 340.240 3.964 20 30 EHEDHN CN(C)[C@H](CNc1c(C#N)cnc2ccccc21)c1ccc(F)cc1 ZINC000301339472 1128585534 /nfs/dbraw/zinc/58/55/34/1128585534.db2.gz FDDOMSWFFUZKFW-LJQANCHMSA-N 0 3 334.398 3.960 20 30 EHEDHN CC[C@@H]1CN(c2ccc(Cl)c(C#N)n2)CCN1Cc1ccccc1 ZINC000302149987 1128622489 /nfs/dbraw/zinc/62/24/89/1128622489.db2.gz JXUMYGHPIHFKBO-MRXNPFEDSA-N 0 3 340.858 3.707 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921744557 1128720029 /nfs/dbraw/zinc/72/00/29/1128720029.db2.gz VSSQMZAEYRBYRB-LJQANCHMSA-N 0 3 336.435 3.982 20 30 EHEDHN N#Cc1cc(CN[C@H]2CCN(c3ccccc3OC(F)F)C2)cs1 ZINC000921752671 1128730450 /nfs/dbraw/zinc/73/04/50/1128730450.db2.gz WHCWAHRYGBIDHF-ZDUSSCGKSA-N 0 3 349.406 3.590 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000305748725 1128781430 /nfs/dbraw/zinc/78/14/30/1128781430.db2.gz XJGYHQPRAJIXNK-SJORKVTESA-N 0 3 342.464 3.716 20 30 EHEDHN Cc1ccc(CNCc2c(C)cc(C#N)cc2C)c(N2CCOCC2)c1 ZINC000921827442 1128792645 /nfs/dbraw/zinc/79/26/45/1128792645.db2.gz FRBMJRHZFDJZNJ-UHFFFAOYSA-N 0 3 349.478 3.610 20 30 EHEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC001648907741 1120074504 /nfs/dbraw/zinc/07/45/04/1120074504.db2.gz IACZWOZGQAZDFF-VQIMIIECSA-N 0 3 330.472 3.549 20 30 EHEDHN CC(C)(C)[C@@H]1CCCC[C@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000734506241 1131243540 /nfs/dbraw/zinc/24/35/40/1131243540.db2.gz MSAGWTBLHUXRDS-KSZLIROESA-N 0 3 327.472 3.527 20 30 EHEDHN CCOc1ccc(C#N)cc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000064027900 1128910779 /nfs/dbraw/zinc/91/07/79/1128910779.db2.gz FRMINOHOIHCKOO-UHFFFAOYSA-N 0 3 349.434 3.805 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000175433771 1120373246 /nfs/dbraw/zinc/37/32/46/1120373246.db2.gz KSOJDXSTHRFENE-NJSLBKSFSA-N 0 3 347.890 3.572 20 30 EHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000185037200 1120396693 /nfs/dbraw/zinc/39/66/93/1120396693.db2.gz XGWCIRYLLSORJB-APWZRJJASA-N 0 3 332.488 3.797 20 30 EHEDHN C[C@@H](N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(C#N)cc1F ZINC000494971546 1120918619 /nfs/dbraw/zinc/91/86/19/1120918619.db2.gz MMPAJESFYPHWGS-PXAZEXFGSA-N 0 3 347.434 3.651 20 30 EHEDHN N#Cc1cc2c(nc1N[C@@H]1CCN(Cc3ccccc3)C1)CCCC2 ZINC000310748476 1128958919 /nfs/dbraw/zinc/95/89/19/1128958919.db2.gz HPIAPLJLSDWVLB-LJQANCHMSA-N 0 3 332.451 3.518 20 30 EHEDHN CC(C)C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000542557088 1121181743 /nfs/dbraw/zinc/18/17/43/1121181743.db2.gz RGUYKYMKWHVIRK-INIZCTEOSA-N 0 3 327.453 3.935 20 30 EHEDHN C=CCOc1cccc(CNCc2cccc(NC(=O)OC)c2)c1 ZINC000495748561 1121399501 /nfs/dbraw/zinc/39/95/01/1121399501.db2.gz JJJWCXQXXIFHGM-UHFFFAOYSA-N 0 3 326.396 3.720 20 30 EHEDHN C=CCn1c2ccccc2n(CN2CCN(C)C[C@@H]2C(C)C)c1=S ZINC000153663545 1121562942 /nfs/dbraw/zinc/56/29/42/1121562942.db2.gz ADTFDCNDKUVFRF-GOSISDBHSA-N 0 3 344.528 3.588 20 30 EHEDHN C=CCN1CCC(NC(=O)NC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000171734107 1121636563 /nfs/dbraw/zinc/63/65/63/1121636563.db2.gz HLHXVJDGQROAKE-UHFFFAOYSA-N 0 3 347.890 3.669 20 30 EHEDHN C[C@@H](CCC#N)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000496476391 1122094892 /nfs/dbraw/zinc/09/48/92/1122094892.db2.gz ARILMZYREOESKS-HNNXBMFYSA-N 0 3 335.492 3.790 20 30 EHEDHN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(C#N)c(C)c3)ccc2NC1=O ZINC000488143738 1122218915 /nfs/dbraw/zinc/21/89/15/1122218915.db2.gz GMNNPTOPKOSRQK-AUUYWEPGSA-N 0 3 349.434 3.827 20 30 EHEDHN Cc1ccccc1C(=O)NC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488171026 1122254281 /nfs/dbraw/zinc/25/42/81/1122254281.db2.gz NTJDRHSGMRFVBF-UHFFFAOYSA-N 0 3 347.462 3.570 20 30 EHEDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1NCC1(C#N)CC1 ZINC000497287331 1122436039 /nfs/dbraw/zinc/43/60/39/1122436039.db2.gz VFRYIGIPKZKXDQ-IXDOHACOSA-N 0 3 347.503 3.838 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)Cc2ccc(C)cc2C)CC1 ZINC000066599321 1122476784 /nfs/dbraw/zinc/47/67/84/1122476784.db2.gz OEEBTVACIYWKIU-GOSISDBHSA-N 0 3 343.515 3.574 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1cc(C)ccc1C ZINC000497605817 1122607249 /nfs/dbraw/zinc/60/72/49/1122607249.db2.gz RRGWCDKIOJMGKJ-HXUWFJFHSA-N 0 3 325.452 3.731 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C(C)C)C2CCC2)c1C ZINC000072685690 1123142336 /nfs/dbraw/zinc/14/23/36/1123142336.db2.gz IRBBLBUZONZCPN-UHFFFAOYSA-N 0 3 327.472 3.813 20 30 EHEDHN C[C@@H](Cc1ccccc1Cl)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000155111991 1123188345 /nfs/dbraw/zinc/18/83/45/1123188345.db2.gz XCDIALOLOOPCMQ-XJKSGUPXSA-N 0 3 346.858 3.676 20 30 EHEDHN CC#CCNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000132535374 1123245257 /nfs/dbraw/zinc/24/52/57/1123245257.db2.gz VPFWQXWOGOCYNV-UHFFFAOYSA-N 0 3 335.447 3.884 20 30 EHEDHN CCOc1ccc(/C=N/C[C@H](c2ccco2)N(CC)CC)c(O)c1 ZINC000921261026 1123500956 /nfs/dbraw/zinc/50/09/56/1123500956.db2.gz KVGYNTANGPNRDK-UOBPLZBXSA-N 0 3 330.428 3.886 20 30 EHEDHN N#CC(C(=O)c1csc2ccccc12)c1nnc2n1CCCCC2 ZINC000078733879 1123648330 /nfs/dbraw/zinc/64/83/30/1123648330.db2.gz CDMPCPJXWLPYIM-CYBMUJFWSA-N 0 3 336.420 3.709 20 30 EHEDHN CCN1CCN(c2ccc(NCc3cccc(C#N)c3)c(C)c2)CC1 ZINC000079751891 1123718698 /nfs/dbraw/zinc/71/86/98/1123718698.db2.gz NGSOREAYNYDCFI-UHFFFAOYSA-N 0 3 334.467 3.621 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1C ZINC000734963799 1131297011 /nfs/dbraw/zinc/29/70/11/1131297011.db2.gz NESDQWPYLJMZCS-WMZOPIPTSA-N 0 3 328.456 3.894 20 30 EHEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)n1cccc1 ZINC000735206484 1131317626 /nfs/dbraw/zinc/31/76/26/1131317626.db2.gz LAXHDHUCMBOXJE-YPMHNXCESA-N 0 3 347.777 3.579 20 30 EHEDHN C=CCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618741664 1125178681 /nfs/dbraw/zinc/17/86/81/1125178681.db2.gz JLCHGOCKZKOEST-LJQANCHMSA-N 0 3 334.419 3.909 20 30 EHEDHN COc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1NC(C)=O ZINC000618804711 1125207872 /nfs/dbraw/zinc/20/78/72/1125207872.db2.gz LQSVGKYGCOQMPP-BFUOFWGJSA-N 0 3 349.434 3.863 20 30 EHEDHN C[C@@](C#N)(NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000182569290 1125332081 /nfs/dbraw/zinc/33/20/81/1125332081.db2.gz LDFGGIJDAZEKCE-OALUTQOASA-N 0 3 345.874 3.579 20 30 EHEDHN N#CC1CCN(Cc2cccc3cc(Br)cnc32)CC1 ZINC001237140400 1125334825 /nfs/dbraw/zinc/33/48/25/1125334825.db2.gz MVWHKOLDNHHYQM-UHFFFAOYSA-N 0 3 330.229 3.733 20 30 EHEDHN Cn1cc(-c2ccc(CNCc3ccc(C#N)c(Cl)c3)s2)cn1 ZINC000619748562 1125399834 /nfs/dbraw/zinc/39/98/34/1125399834.db2.gz OADQMBWBSVXPHZ-UHFFFAOYSA-N 0 3 342.855 3.963 20 30 EHEDHN N#Cc1ccc(CNCc2c[nH]nc2-c2cccs2)cc1Cl ZINC000619748576 1125400215 /nfs/dbraw/zinc/40/02/15/1125400215.db2.gz IYOLODAZOGCRFK-UHFFFAOYSA-N 0 3 328.828 3.953 20 30 EHEDHN C[C@@H](CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)(C)C ZINC000619843790 1125415477 /nfs/dbraw/zinc/41/54/77/1125415477.db2.gz FHFVVTABMIDRCW-AWEZNQCLSA-N 0 3 342.443 3.610 20 30 EHEDHN C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000079121249 1129236595 /nfs/dbraw/zinc/23/65/95/1129236595.db2.gz XOFPHEUJDMHBPK-HXUWFJFHSA-N 0 3 337.467 3.687 20 30 EHEDHN CSc1ccc([C@H](CNc2nc(C)ccc2C#N)N(C)C)cc1 ZINC000338837578 1129415143 /nfs/dbraw/zinc/41/51/43/1129415143.db2.gz PJZNACCROVNUFJ-KRWDZBQOSA-N 0 3 326.469 3.698 20 30 EHEDHN N#Cc1cccc(CCNCc2ccc(F)cc2Br)c1 ZINC000466423421 1129438371 /nfs/dbraw/zinc/43/83/71/1129438371.db2.gz CYSHLTAFKQEWBM-UHFFFAOYSA-N 0 3 333.204 3.792 20 30 EHEDHN C=C(C)C[C@@H](C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000466546427 1129895849 /nfs/dbraw/zinc/89/58/49/1129895849.db2.gz SXOATKYGGIAVFD-QGZVFWFLSA-N 0 3 329.488 3.758 20 30 EHEDHN N#Cc1ccc(CNC[C@@H](c2cccc(Cl)c2)N2CCCC2)o1 ZINC000174266355 1130346316 /nfs/dbraw/zinc/34/63/16/1130346316.db2.gz COQVTMXOWCHWDC-SFHVURJKSA-N 0 3 329.831 3.731 20 30 EHEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000174662192 1130375170 /nfs/dbraw/zinc/37/51/70/1130375170.db2.gz QGLZIBZWYHKJIO-GFCCVEGCSA-N 0 3 329.350 3.516 20 30 EHEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000730122830 1130677917 /nfs/dbraw/zinc/67/79/17/1130677917.db2.gz VHRUBXFKYNIZDH-FUHWJXTLSA-N 0 3 335.536 3.789 20 30 EHEDHN CN(CCOc1ccccc1Cl)Cc1ccc(OCC#N)cc1 ZINC000731210580 1130776944 /nfs/dbraw/zinc/77/69/44/1130776944.db2.gz SMKSKOGOSOORSQ-UHFFFAOYSA-N 0 3 330.815 3.753 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccccc1F ZINC000731411372 1130796480 /nfs/dbraw/zinc/79/64/80/1130796480.db2.gz XFBDRVCPGWOABA-AAEUAGOBSA-N 0 3 344.773 3.930 20 30 EHEDHN CCOc1ccc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)c([O-])c1 ZINC000733800707 1131082937 /nfs/dbraw/zinc/08/29/37/1131082937.db2.gz FJXFUKTUJQGMIS-QGZVFWFLSA-N 0 3 340.423 3.762 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1cccs1 ZINC000739156588 1131494115 /nfs/dbraw/zinc/49/41/15/1131494115.db2.gz ZJEYHPAYAXEUSW-QWRGUYRKSA-N 0 3 332.812 3.853 20 30 EHEDHN N#CC(C(=O)C[C@@H]1C(=O)Nc2ccccc21)c1ccc2ccccc2n1 ZINC000741110625 1131576603 /nfs/dbraw/zinc/57/66/03/1131576603.db2.gz KIXLUGUBUUXDJZ-JKSUJKDBSA-N 0 3 341.370 3.537 20 30 EHEDHN N#CC(C(=O)C[C@H]1C(=O)Nc2ccccc21)c1ccc2ccccc2n1 ZINC000741110624 1131576712 /nfs/dbraw/zinc/57/67/12/1131576712.db2.gz KIXLUGUBUUXDJZ-HZPDHXFCSA-N 0 3 341.370 3.537 20 30 EHEDHN C[C@@H]1CCC[C@@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000741793829 1131649385 /nfs/dbraw/zinc/64/93/85/1131649385.db2.gz ACZVWPADXAPYII-RBSFLKMASA-N 0 3 341.480 3.983 20 30 EHEDHN C[C@H](CCCC#N)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC001172509770 1131764132 /nfs/dbraw/zinc/76/41/32/1131764132.db2.gz QGZKTWHNAZPWBC-CQSZACIVSA-N 0 3 325.378 3.910 20 30 EHEDHN Cc1ccc(N2CCC[C@H](N[C@H](C)c3cccc(C#N)c3)C2=O)cc1 ZINC000743490604 1131933567 /nfs/dbraw/zinc/93/35/67/1131933567.db2.gz KGXXYBXHAYHGCO-UZLBHIALSA-N 0 3 333.435 3.713 20 30 EHEDHN CC(C)C[C@H]([NH2+][C@H](C)CCc1ccc(Cl)c(Cl)c1)C(=O)N[O-] ZINC001173547708 1132089771 /nfs/dbraw/zinc/08/97/71/1132089771.db2.gz RIXQDDNRIKPYJT-ABAIWWIYSA-N 0 3 347.286 3.824 20 30 EHEDHN CC(C)(C)OC(=O)N1CCN(C2CCC(C)(C#N)CC2)C(C)(C)C1 ZINC001173597723 1132100727 /nfs/dbraw/zinc/10/07/27/1132100727.db2.gz FNPQRIASVBQKPM-UHFFFAOYSA-N 0 3 335.492 3.790 20 30 EHEDHN COc1cc(C#N)ccc1OC1CCN(Cc2cccs2)CC1 ZINC001204016043 1132174761 /nfs/dbraw/zinc/17/47/61/1132174761.db2.gz VNCMUCFKKCJKGF-UHFFFAOYSA-N 0 3 328.437 3.672 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](CC(C)C)C2)cc1 ZINC000745946390 1132334068 /nfs/dbraw/zinc/33/40/68/1132334068.db2.gz BVQMVOOCIZKXFI-RBUKOAKNSA-N 0 3 341.499 3.998 20 30 EHEDHN C[C@H](c1ccco1)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000746124795 1132378856 /nfs/dbraw/zinc/37/88/56/1132378856.db2.gz YLPHOHCTRPKMRB-OLZOCXBDSA-N 0 3 339.420 3.759 20 30 EHEDHN N#Cc1ccc(-c2cccc(CNCc3cnc4cnccn34)c2)s1 ZINC000746465967 1132552560 /nfs/dbraw/zinc/55/25/60/1132552560.db2.gz LFJRXZAADCULBV-UHFFFAOYSA-N 0 3 345.431 3.619 20 30 EHEDHN C[C@H]1C[C@H](NCc2ccc(Cl)c(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001168840400 1132578794 /nfs/dbraw/zinc/57/87/94/1132578794.db2.gz VCWKKAAJCPHHHZ-WFASDCNBSA-N 0 3 349.862 3.699 20 30 EHEDHN CC(=O)N1CC[C@H](N(Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)C1 ZINC001169560311 1132786326 /nfs/dbraw/zinc/78/63/26/1132786326.db2.gz LNNCHASFTXUYTH-JTSKRJEESA-N 0 3 347.462 3.742 20 30 EHEDHN C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001176364824 1132922883 /nfs/dbraw/zinc/92/28/83/1132922883.db2.gz HBYWDVRFKBLOQZ-OXJNMPFZSA-N 0 3 333.435 3.765 20 30 EHEDHN CCCCCCCNC(=S)N1CCN(CC2CCCC2)CC1 ZINC001249637822 1132964707 /nfs/dbraw/zinc/96/47/07/1132964707.db2.gz VEKXUMREUGQLRC-UHFFFAOYSA-N 0 3 325.566 3.639 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(C#N)c(C)c2)ccc1OC ZINC000767689573 1133040258 /nfs/dbraw/zinc/04/02/58/1133040258.db2.gz MXXASGRJLQKBCW-LJQANCHMSA-N 0 3 349.434 3.846 20 30 EHEDHN C#CCOc1ccc(CN2CCC(O)(c3cccc(C)c3C)CC2)cc1 ZINC000769495981 1133301156 /nfs/dbraw/zinc/30/11/56/1133301156.db2.gz IKRRAUIEQAEARK-UHFFFAOYSA-N 0 3 349.474 3.799 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)cc1 ZINC000786311734 1133835548 /nfs/dbraw/zinc/83/55/48/1133835548.db2.gz MIZQHDXJLTXDPU-INIZCTEOSA-N 0 3 325.412 3.616 20 30 EHEDHN CC(C)(C)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533674 1133862999 /nfs/dbraw/zinc/86/29/99/1133862999.db2.gz HHXSEHAZVLAGLM-HNNXBMFYSA-N 0 3 334.847 3.881 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)CC(C)(C)c1ccccc1Cl ZINC001183891555 1133871015 /nfs/dbraw/zinc/87/10/15/1133871015.db2.gz ZGQUVFGDTUGVQF-HNNXBMFYSA-N 0 3 334.891 3.774 20 30 EHEDHN N#Cc1cccc(Oc2ccnc(NC[C@@H]3CCCCN3C3CC3)n2)c1 ZINC001186373719 1134211226 /nfs/dbraw/zinc/21/12/26/1134211226.db2.gz QHONIPRSSHZMIV-KRWDZBQOSA-N 0 3 349.438 3.569 20 30 EHEDHN Cc1ccc2c(c1)[C@H](NC1CCC(C#N)(c3ccccc3)CC1)C(=O)N2 ZINC001170359769 1134756250 /nfs/dbraw/zinc/75/62/50/1134756250.db2.gz FHAFRTBQSLSBSQ-DHHCDUQHSA-N 0 3 345.446 3.982 20 30 EHEDHN C[C@H](Cn1ncc2ccccc21)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000793121553 1134851300 /nfs/dbraw/zinc/85/13/00/1134851300.db2.gz DGDYOVFYSGJFKH-HIFRSBDPSA-N 0 3 344.374 3.690 20 30 EHEDHN CCNc1ccc(Cl)cc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000793123939 1134852058 /nfs/dbraw/zinc/85/20/58/1134852058.db2.gz KGDZOHIPKKGHRQ-AWEZNQCLSA-N 0 3 328.803 3.669 20 30 EHEDHN C(#Cc1ccccc1)CNc1nc(N2CCOCC2)cc2ccccc21 ZINC001170426668 1134860068 /nfs/dbraw/zinc/86/00/68/1134860068.db2.gz YUBNMVKUGLGQCN-UHFFFAOYSA-N 0 3 343.430 3.535 20 30 EHEDHN COc1cccc([C@@H](C/N=C/c2cc(Cl)ccc2O)N(C)C)c1 ZINC000005292316 1134920521 /nfs/dbraw/zinc/92/05/21/1134920521.db2.gz OQDKXIWLUVTGAZ-MLHZQLSASA-N 0 3 332.831 3.776 20 30 EHEDHN C=C(C)CN(Cc1ccc(CO)o1)c1ccnc2cc(OC)ccc21 ZINC000804809525 1135198738 /nfs/dbraw/zinc/19/87/38/1135198738.db2.gz FJMCJXYIYVSBAF-UHFFFAOYSA-N 0 3 338.407 3.911 20 30 EHEDHN C=C(C)CN(CCOCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001194052714 1135222579 /nfs/dbraw/zinc/22/25/79/1135222579.db2.gz ZFTWUBNYKWYCAF-UHFFFAOYSA-N 0 3 348.487 3.606 20 30 EHEDHN C#CCN(C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1)C1CCCCC1 ZINC000807445120 1135548327 /nfs/dbraw/zinc/54/83/27/1135548327.db2.gz OSLJNGGYAZTJFS-FUHWJXTLSA-N 0 3 345.487 3.686 20 30 EHEDHN C#CCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CCCCC1 ZINC000807740905 1135566943 /nfs/dbraw/zinc/56/69/43/1135566943.db2.gz WVRUFBPTRMEDAN-AZUAARDMSA-N 0 3 338.495 3.739 20 30 EHEDHN C=CCC[C@@H](C)NCc1ccc(C(=O)OC)cc1Br ZINC000809753165 1135886079 /nfs/dbraw/zinc/88/60/79/1135886079.db2.gz BPLKCCMDANFWRA-LLVKDONJSA-N 0 3 326.234 3.680 20 30 EHEDHN C#C[C@@H](NCc1cnc2c(C)cc(Br)cn12)C(C)(C)C ZINC000809780945 1135890243 /nfs/dbraw/zinc/89/02/43/1135890243.db2.gz BBBDMNVJBDVTHR-CQSZACIVSA-N 0 3 334.261 3.543 20 30 EHEDHN N#Cc1cccc(OCCN2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001170594206 1135907589 /nfs/dbraw/zinc/90/75/89/1135907589.db2.gz RRHCZCRAVBJACU-IBGZPJMESA-N 0 3 342.826 3.744 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C1(CCF)CC1 ZINC000810530238 1135970593 /nfs/dbraw/zinc/97/05/93/1135970593.db2.gz YXGIIXCLHFFJLY-HNNXBMFYSA-N 0 3 330.403 3.599 20 30 EHEDHN C[C@@]1(CNCc2cc(C#N)ccc2Br)CCCS1 ZINC001201406981 1136013146 /nfs/dbraw/zinc/01/31/46/1136013146.db2.gz HMUNWEYKLUGPDL-AWEZNQCLSA-N 0 3 325.275 3.696 20 30 EHEDHN CCOc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1F ZINC000106243866 1136070703 /nfs/dbraw/zinc/07/07/03/1136070703.db2.gz FLNGTYKXGWRTSS-AWEZNQCLSA-N 0 3 328.387 3.805 20 30 EHEDHN C=CCc1cc(OCC)cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000811776111 1136134226 /nfs/dbraw/zinc/13/42/26/1136134226.db2.gz ABQPKNMSNIPOQN-QUCCMNQESA-N 0 3 345.483 3.909 20 30 EHEDHN C#CCOc1ccccc1CN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000812780600 1136246441 /nfs/dbraw/zinc/24/64/41/1136246441.db2.gz KBJYULCDRFWJNI-HSZRJFAPSA-N 0 3 349.474 3.516 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)Cc2occc2C)cc1 ZINC000850760809 1136301652 /nfs/dbraw/zinc/30/16/52/1136301652.db2.gz XNVJMXKPCZFYRP-QGZVFWFLSA-N 0 3 338.407 3.821 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)C2CC3(C2)CCCCC3)cc1 ZINC000850761518 1136301967 /nfs/dbraw/zinc/30/19/67/1136301967.db2.gz NONPUFJXLKVDET-KRWDZBQOSA-N 0 3 340.423 3.703 20 30 EHEDHN C#C[C@@](C)(CC)NCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000852100790 1136433590 /nfs/dbraw/zinc/43/35/90/1136433590.db2.gz JAEIXPAZCACIRG-FPOVZHCZSA-N 0 3 342.483 3.530 20 30 EHEDHN COc1ccccc1-c1ccnc(C2CCN(CCCC#N)CC2)n1 ZINC000854097438 1136587372 /nfs/dbraw/zinc/58/73/72/1136587372.db2.gz MDCBPLVZNWBUIW-UHFFFAOYSA-N 0 3 336.439 3.635 20 30 EHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C(F)=C1CCCC1 ZINC000815908775 1136646916 /nfs/dbraw/zinc/64/69/16/1136646916.db2.gz IVJQDYWMJGZMFG-ZDUSSCGKSA-N 0 3 330.359 3.530 20 30 EHEDHN Cc1ccn(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c(=O)c1C#N ZINC000776774735 1136661413 /nfs/dbraw/zinc/66/14/13/1136661413.db2.gz MTSIJUKJWGDNJU-TYPHKJRUSA-N 0 3 347.462 3.644 20 30 EHEDHN C#CCOc1ccc(CN[C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000113321852 1136696949 /nfs/dbraw/zinc/69/69/49/1136696949.db2.gz DJGJQWZAKNDBEY-MRXNPFEDSA-N 0 3 339.435 3.875 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(F)cc2)ccc1OC ZINC000113347531 1136697316 /nfs/dbraw/zinc/69/73/16/1136697316.db2.gz HNQBCXUHENMJND-QGZVFWFLSA-N 0 3 328.387 3.805 20 30 EHEDHN C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccc(C#N)cc1F ZINC000858589621 1136980823 /nfs/dbraw/zinc/98/08/23/1136980823.db2.gz RGZKUKWDGVUETF-IIYDPXPESA-N 0 3 347.434 3.746 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000116591969 1137005804 /nfs/dbraw/zinc/00/58/04/1137005804.db2.gz XIXLONPNRFDYAM-PBHICJAKSA-N 0 3 332.419 3.725 20 30 EHEDHN Cc1ccc(CN2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc1C#N ZINC000859204402 1137007741 /nfs/dbraw/zinc/00/77/41/1137007741.db2.gz HIIPWOQTTJXPPD-NVXWUHKLSA-N 0 3 343.471 3.602 20 30 EHEDHN Cc1ccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1C#N ZINC000859229872 1137009084 /nfs/dbraw/zinc/00/90/84/1137009084.db2.gz OTLIPRKFLJQSOE-MRXNPFEDSA-N 0 3 333.435 3.844 20 30 EHEDHN C[C@@H](CN(C)Cc1ccccc1C(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000860093794 1137044161 /nfs/dbraw/zinc/04/41/61/1137044161.db2.gz HUNWTQDLROCUSO-HNNXBMFYSA-N 0 3 345.487 3.833 20 30 EHEDHN C[C@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000860902694 1137084129 /nfs/dbraw/zinc/08/41/29/1137084129.db2.gz JOPMNIUYGDSHKB-JXFKEZNVSA-N 0 3 349.478 3.643 20 30 EHEDHN CN(C)Cc1ccc(NC(=O)C(C)(C)c2ccc(C#N)cc2)c(F)c1 ZINC000861990929 1137126459 /nfs/dbraw/zinc/12/64/59/1137126459.db2.gz WHYVXSZYTFGISV-UHFFFAOYSA-N 0 3 339.414 3.675 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000824690585 1137148371 /nfs/dbraw/zinc/14/83/71/1137148371.db2.gz HIGQTZDDXRJAAZ-KUHUBIRLSA-N 0 3 344.842 3.796 20 30 EHEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1c[nH]c3cccc(F)c13)C2 ZINC001136983437 1137163758 /nfs/dbraw/zinc/16/37/58/1137163758.db2.gz SDPINKCXDKFRPO-OXJNMPFZSA-N 0 3 344.430 3.633 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)c1sccc1CC#N)c1ccsc1 ZINC000864865862 1137249981 /nfs/dbraw/zinc/24/99/81/1137249981.db2.gz KAFPUUJQDNZAIF-HNNXBMFYSA-N 0 3 347.509 3.689 20 30 EHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](C2CCC2)C1 ZINC001171157229 1137268491 /nfs/dbraw/zinc/26/84/91/1137268491.db2.gz TVXLYHJGCXQMOU-WFASDCNBSA-N 0 3 331.847 3.661 20 30 EHEDHN CCc1nc(SCC(=O)C(C#N)c2nc(C)cs2)sc1C ZINC000845326398 1137285220 /nfs/dbraw/zinc/28/52/20/1137285220.db2.gz VDEKDDKORDRAER-JTQLQIEISA-N 0 3 337.495 3.747 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cc(O)ccc1Br ZINC001171193831 1137302090 /nfs/dbraw/zinc/30/20/90/1137302090.db2.gz CZWKHBOGJUPZBI-GFCCVEGCSA-N 0 3 345.240 3.747 20 30 EHEDHN COc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1C#N ZINC000865858411 1137316948 /nfs/dbraw/zinc/31/69/48/1137316948.db2.gz BEJUWUUHHJZDOX-UHFFFAOYSA-N 0 3 346.434 3.515 20 30 EHEDHN Cc1ccc(C)c(N2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171203256 1137324186 /nfs/dbraw/zinc/32/41/86/1137324186.db2.gz KYMPRGMYYJBWKO-IBGZPJMESA-N 0 3 333.479 3.928 20 30 EHEDHN C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1[O-] ZINC000846213405 1137341565 /nfs/dbraw/zinc/34/15/65/1137341565.db2.gz SDLWRAOEEGYRAY-MRXNPFEDSA-N 0 3 335.451 3.579 20 30 EHEDHN C#CCN(Cc1cc2ccccc2n(C)c1=O)[C@@H]1CCc2ccccc21 ZINC000846780773 1137365200 /nfs/dbraw/zinc/36/52/00/1137365200.db2.gz TULOTRAUNGWFJM-JOCHJYFZSA-N 0 3 342.442 3.661 20 30 EHEDHN CCc1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000121841436 1137387151 /nfs/dbraw/zinc/38/71/51/1137387151.db2.gz FERBPOOMTCWZHS-RDTXWAMCSA-N 0 3 326.440 3.510 20 30 EHEDHN C=CCCCN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000266075912 1137402301 /nfs/dbraw/zinc/40/23/01/1137402301.db2.gz ASKHQPZBOCBIDA-IBGZPJMESA-N 0 3 347.455 3.874 20 30 EHEDHN C#CCC1(C(=O)Nc2ccc(CN(C)C)cc2OC)CCCCC1 ZINC000868816836 1137424964 /nfs/dbraw/zinc/42/49/64/1137424964.db2.gz PTTWCLAHXMWWSB-UHFFFAOYSA-N 0 3 328.456 3.669 20 30 EHEDHN N#CC(C(=O)CCc1ccc(C(F)F)cc1)C(=O)NC1CCCCC1 ZINC000870137551 1137478583 /nfs/dbraw/zinc/47/85/83/1137478583.db2.gz WTQUGAFYTKKNJN-INIZCTEOSA-N 0 3 348.393 3.715 20 30 EHEDHN COc1cccc([C@@H](CNc2cc(C)cc(F)c2C#N)N(C)C)c1 ZINC001649160504 1137487399 /nfs/dbraw/zinc/48/73/99/1137487399.db2.gz ZVYAPDNQRVKOKA-LJQANCHMSA-N 0 3 327.403 3.729 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CC(CC#N)C2)C[C@@H]1C(C)(C)C ZINC001171599655 1137500148 /nfs/dbraw/zinc/50/01/48/1137500148.db2.gz CWDUUCZXMDCYOB-JKSUJKDBSA-N 0 3 335.492 3.646 20 30 EHEDHN C=CC[C@H]1CCCN(CC(=O)NCCc2c(C)cc(C)cc2C)C1 ZINC001171847009 1137515783 /nfs/dbraw/zinc/51/57/83/1137515783.db2.gz GHTBJRSGJNXTJC-IBGZPJMESA-N 0 3 328.500 3.559 20 30 EHEDHN C#CC[C@H]1CCCN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000825639995 1137586558 /nfs/dbraw/zinc/58/65/58/1137586558.db2.gz WPUNWKQYRUQOOK-FUHWJXTLSA-N 0 3 347.528 3.576 20 30 EHEDHN C[C@H]1C[C@H](NCc2cccc(F)c2C#N)CCN1C(=O)OC(C)(C)C ZINC000873115455 1137590375 /nfs/dbraw/zinc/59/03/75/1137590375.db2.gz OEZKMBUYJQQJFD-DZGCQCFKSA-N 0 3 347.434 3.575 20 30 EHEDHN N#Cc1cccc(O[C@@H]2CCCN(Cc3ccc4nccnc4c3)C2)c1 ZINC001137090264 1137633983 /nfs/dbraw/zinc/63/39/83/1137633983.db2.gz ZBFNUEDSHMVHPE-LJQANCHMSA-N 0 3 344.418 3.545 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1NCCC ZINC000876772513 1137660971 /nfs/dbraw/zinc/66/09/71/1137660971.db2.gz OQFAOVQNCFPUCS-LLVKDONJSA-N 0 3 349.784 3.936 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC[C@H](c2cccs2)N2CCCC2)c1 ZINC000876885170 1137664587 /nfs/dbraw/zinc/66/45/87/1137664587.db2.gz LYHXHPJQXAQXAE-OAHLLOKOSA-N 0 3 346.887 3.595 20 30 EHEDHN C=CCc1cc(CNC[C@@H]2CC2(Cl)Cl)cc(OC)c1OC ZINC000877021532 1137667833 /nfs/dbraw/zinc/66/78/33/1137667833.db2.gz FQUINDXIFDITNE-ZDUSSCGKSA-N 0 3 330.255 3.716 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CNC[C@@H]2CC2(Cl)Cl)ccc1OC ZINC000877030089 1137668100 /nfs/dbraw/zinc/66/81/00/1137668100.db2.gz XMIFFEBPGRIYQA-QWHCGFSZSA-N 0 3 343.254 3.660 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@@H](Sc3ccncc3)C2)cc1 ZINC001137119293 1137674703 /nfs/dbraw/zinc/67/47/03/1137674703.db2.gz DLTWYEFZZCYYBQ-LJQANCHMSA-N 0 3 339.464 3.741 20 30 EHEDHN N#Cc1cccc(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000877390751 1137675214 /nfs/dbraw/zinc/67/52/14/1137675214.db2.gz UJSQDBNEQNHUML-AWEZNQCLSA-N 0 3 331.341 3.962 20 30 EHEDHN C[C@H](CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000878771949 1137727745 /nfs/dbraw/zinc/72/77/45/1137727745.db2.gz ATUUHLUPCUEMFI-KFWWJZLASA-N 0 3 339.405 3.727 20 30 EHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878885895 1137730917 /nfs/dbraw/zinc/73/09/17/1137730917.db2.gz UHZJPBPINVWMOY-DZGCQCFKSA-N 0 3 342.399 3.869 20 30 EHEDHN CC(C)(C)c1csc(CC2(O)CCN([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000879614032 1137752523 /nfs/dbraw/zinc/75/25/23/1137752523.db2.gz XCEHZWOOJBDJTI-LSDHHAIUSA-N 0 3 347.528 3.502 20 30 EHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1oc(CC)cc1C ZINC000128743647 1137796600 /nfs/dbraw/zinc/79/66/00/1137796600.db2.gz WSISHSKRVATNLO-AWEZNQCLSA-N 0 3 340.379 3.510 20 30 EHEDHN CSCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000131027625 1137845178 /nfs/dbraw/zinc/84/51/78/1137845178.db2.gz NWAIWBZYOYYZLO-SNVBAGLBSA-N 0 3 345.251 3.784 20 30 EHEDHN Cc1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)c(Cl)n1 ZINC000883293304 1137853369 /nfs/dbraw/zinc/85/33/69/1137853369.db2.gz OXPQDSPSMPKCEY-UHFFFAOYSA-N 0 3 340.858 3.674 20 30 EHEDHN Cc1oc(NC(=O)CN[C@@H](c2ccccc2)C2CCC2)c(C#N)c1C ZINC000104698281 1137879104 /nfs/dbraw/zinc/87/91/04/1137879104.db2.gz WCRVXRNOZFLJID-IBGZPJMESA-N 0 3 337.423 3.838 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)c3cccnc23)CC1 ZINC000106036687 1137882522 /nfs/dbraw/zinc/88/25/22/1137882522.db2.gz RGLOGCYLUGGDBJ-UHFFFAOYSA-N 0 3 343.858 3.659 20 30 EHEDHN Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H](N4CC=CC4)C3)c2c1 ZINC000282888443 1137903872 /nfs/dbraw/zinc/90/38/72/1137903872.db2.gz SCOJVFVMNIEFFO-OAHLLOKOSA-N 0 3 338.842 3.519 20 30 EHEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(-c3ccccc3)cc1F)C2 ZINC000884090220 1137906070 /nfs/dbraw/zinc/90/60/70/1137906070.db2.gz NDROKHBXULFPDZ-BQIYRTECSA-N 0 3 349.409 3.571 20 30 EHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000113329014 1137912724 /nfs/dbraw/zinc/91/27/24/1137912724.db2.gz FKLCHXJDXYPAFL-QGZVFWFLSA-N 0 3 348.446 3.676 20 30 EHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000121057870 1137954785 /nfs/dbraw/zinc/95/47/85/1137954785.db2.gz UTXONEBPXQSIAB-LBPRGKRZSA-N 0 3 325.250 3.674 20 30 EHEDHN N#Cc1cc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)ccc1F ZINC000134807702 1137960935 /nfs/dbraw/zinc/96/09/35/1137960935.db2.gz YWSDAUXDVWXQGV-AZUAARDMSA-N 0 3 342.389 3.925 20 30 EHEDHN C[C@@H]1C[C@H]1c1ccc(CN(C[C@@H](O)CC2(C#N)CCC2)C2CC2)o1 ZINC000885930990 1138026094 /nfs/dbraw/zinc/02/60/94/1138026094.db2.gz NMYGEAIKUDRWDP-UWWQBHOKSA-N 0 3 328.456 3.812 20 30 EHEDHN C#CCN(C(=O)c1sc2cc(F)ccc2c1C)C1CCN(C)CC1 ZINC000886575785 1138098877 /nfs/dbraw/zinc/09/88/77/1138098877.db2.gz KVWZMDWMKNQHLR-UHFFFAOYSA-N 0 3 344.455 3.518 20 30 EHEDHN COc1ccc(CN(C)CCc2nccs2)cc1OCCCC#N ZINC000093844073 1138242282 /nfs/dbraw/zinc/24/22/82/1138242282.db2.gz GDLZYVHSLPBIBF-UHFFFAOYSA-N 0 3 345.468 3.509 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CCC)Cc2ccc(F)cc2)CC1 ZINC000264419769 1138508473 /nfs/dbraw/zinc/50/84/73/1138508473.db2.gz WICYJRJNPQQCDK-UHFFFAOYSA-N 0 3 347.478 3.788 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000264941627 1138681299 /nfs/dbraw/zinc/68/12/99/1138681299.db2.gz GKOOKHHXYGMDCM-KRWDZBQOSA-N 0 3 348.446 3.676 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC(C)(C)C)cc2)CC1 ZINC000173684532 1139372123 /nfs/dbraw/zinc/37/21/23/1139372123.db2.gz FPQZHOAOWSOUBK-UHFFFAOYSA-N 0 3 331.460 3.636 20 30 EHEDHN C[C@H](NC[C@H]1COC2(CCCCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000777315236 1139574856 /nfs/dbraw/zinc/57/48/56/1139574856.db2.gz OJYHKGNJDBSARZ-YOEHRIQHSA-N 0 3 332.419 3.814 20 30 EHEDHN Cc1c(Cl)cccc1NC(=O)CCNCc1ccc(C#N)s1 ZINC000176959671 1139589821 /nfs/dbraw/zinc/58/98/21/1139589821.db2.gz WUYSVQHPIFFSSO-UHFFFAOYSA-N 0 3 333.844 3.700 20 30 EHEDHN Cc1oc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)c(C#N)c1C ZINC000179689874 1139774846 /nfs/dbraw/zinc/77/48/46/1139774846.db2.gz XGNXTLJWZNOVJC-ACJLOTCBSA-N 0 3 337.423 3.836 20 30 EHEDHN Cc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccc1-n1cncn1 ZINC000180028669 1139803320 /nfs/dbraw/zinc/80/33/20/1139803320.db2.gz JABZQGBYWJAJLJ-UHFFFAOYSA-N 0 3 343.434 3.612 20 30 EHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000180548977 1139844393 /nfs/dbraw/zinc/84/43/93/1139844393.db2.gz HMPUQEPQIFOMRH-MRXNPFEDSA-N 0 3 349.434 3.567 20 30 EHEDHN Cc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c(CN(C)C)c1 ZINC000180860252 1139868994 /nfs/dbraw/zinc/86/89/94/1139868994.db2.gz YLYAKWJCSAHOSL-UHFFFAOYSA-N 0 3 333.435 3.864 20 30 EHEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000181302432 1139898933 /nfs/dbraw/zinc/89/89/33/1139898933.db2.gz DTMDXTSRDUCTQL-AWEZNQCLSA-N 0 3 338.411 3.683 20 30 EHEDHN C[C@H](NCc1cccc(CN2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000181489375 1139910191 /nfs/dbraw/zinc/91/01/91/1139910191.db2.gz YHDYTNGCCNKHMM-INIZCTEOSA-N 0 3 333.435 3.531 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](C(=C)C)c2ccc(F)c(F)c2)CC1 ZINC000188041289 1140281429 /nfs/dbraw/zinc/28/14/29/1140281429.db2.gz XHHPJYUOIZSROW-SFHVURJKSA-N 0 3 349.425 3.532 20 30 EHEDHN CC(C)COc1ccc(C(C)(C)NCc2cc(C#N)n(C)c2)cc1 ZINC000190982935 1140429145 /nfs/dbraw/zinc/42/91/45/1140429145.db2.gz GGBFQLJRGOAMEZ-UHFFFAOYSA-N 0 3 325.456 3.956 20 30 EHEDHN Cn1cc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1C#N ZINC000191428741 1140463578 /nfs/dbraw/zinc/46/35/78/1140463578.db2.gz QATMSJAMPXJSDH-OAHLLOKOSA-N 0 3 340.496 3.612 20 30 EHEDHN COc1ccc2c(c1)[C@H](NCc1ccc(OCC#N)cc1)CCS2 ZINC000191529573 1140470417 /nfs/dbraw/zinc/47/04/17/1140470417.db2.gz UHARYJZNBFVCTO-GOSISDBHSA-N 0 3 340.448 3.924 20 30 EHEDHN C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000268639055 1140965011 /nfs/dbraw/zinc/96/50/11/1140965011.db2.gz RXMWSANNRBRLIC-WBMJQRKESA-N 0 3 332.350 3.544 20 30 EHEDHN N#Cc1cnc(NC[C@@H](c2ccccc2)N2CCCC2)c(Cl)c1 ZINC000339233134 1141535603 /nfs/dbraw/zinc/53/56/03/1141535603.db2.gz BXRJQBXEQDEFDL-KRWDZBQOSA-N 0 3 326.831 3.856 20 30 EHEDHN C=CC[N@H+](CCCc1ccsc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823904225 946513307 /nfs/dbraw/zinc/51/33/07/946513307.db2.gz XBYKVNVQPDUEPH-UHFFFAOYSA-N 0 3 339.468 3.549 20 30 EHEDHN C=CC[N@@H+](CCCc1ccsc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823904225 946513313 /nfs/dbraw/zinc/51/33/13/946513313.db2.gz XBYKVNVQPDUEPH-UHFFFAOYSA-N 0 3 339.468 3.549 20 30 EHEDHN C=CC[N@H+](CCCc1ccsc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823904225 946513319 /nfs/dbraw/zinc/51/33/19/946513319.db2.gz XBYKVNVQPDUEPH-UHFFFAOYSA-N 0 3 339.468 3.549 20 30 EHEDHN C=CC[N@@H+](CCCc1ccsc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823904225 946513323 /nfs/dbraw/zinc/51/33/23/946513323.db2.gz XBYKVNVQPDUEPH-UHFFFAOYSA-N 0 3 339.468 3.549 20 30 EHEDHN COCCOc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080453270 1032063877 /nfs/dbraw/zinc/06/38/77/1032063877.db2.gz PFJSHFMWYJOOKR-HNNXBMFYSA-N 0 3 344.436 3.782 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1OC ZINC000080454960 1032066622 /nfs/dbraw/zinc/06/66/22/1032066622.db2.gz NHQIVMFGNNMHNH-GFCCVEGCSA-N 0 3 330.409 3.774 20 30 EHEDHN Cc1cc(C)cc([C@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)c1 ZINC000183214139 1125474613 /nfs/dbraw/zinc/47/46/13/1125474613.db2.gz PETCXQIFAZLCBQ-SFHVURJKSA-N 0 3 330.435 3.812 20 30 EHEDHN C=CCc1cc(CN(C)Cc2cccc(N(C)C)c2)cc(OC)c1O ZINC000536665110 1032086802 /nfs/dbraw/zinc/08/68/02/1032086802.db2.gz ROWGLWLXDUGMDF-UHFFFAOYSA-N 0 3 340.467 3.827 20 30 EHEDHN C=CCOc1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000339427389 1014405561 /nfs/dbraw/zinc/40/55/61/1014405561.db2.gz YQJXOCVHXATTBU-UHFFFAOYSA-N 0 3 336.435 3.515 20 30 EHEDHN C[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000274694592 1014554929 /nfs/dbraw/zinc/55/49/29/1014554929.db2.gz MFPSDUSCNUVSRI-HNAYVOBHSA-N 0 3 336.439 3.566 20 30 EHEDHN C=CCSCC[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459424973 1032108735 /nfs/dbraw/zinc/10/87/35/1032108735.db2.gz KDJLXKCMGJGTKV-UHFFFAOYSA-N 0 3 346.290 3.562 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000187166105 1015067261 /nfs/dbraw/zinc/06/72/61/1015067261.db2.gz DPKROIPNVRELAS-CQSZACIVSA-N 0 3 339.464 3.575 20 30 EHEDHN Cc1ccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)N(C)C)cc1 ZINC000255006661 1015505126 /nfs/dbraw/zinc/50/51/26/1015505126.db2.gz QOPABFZKVUFVOI-CWGWECIMSA-N 0 3 333.435 3.971 20 30 EHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](CC2CC2)C1 ZINC000339678322 1015507517 /nfs/dbraw/zinc/50/75/17/1015507517.db2.gz MDLMQXHLPOQGFT-JSGCOSHPSA-N 0 3 331.847 3.661 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1c[nH]c2ccccc12 ZINC000122252284 1016812813 /nfs/dbraw/zinc/81/28/13/1016812813.db2.gz DJTXZECYNBLHDF-MRXNPFEDSA-N 0 3 342.402 3.864 20 30 EHEDHN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(C2CC2)cc1 ZINC000557287789 1017069226 /nfs/dbraw/zinc/06/92/26/1017069226.db2.gz FKPRJGIZTSOIQB-OAHLLOKOSA-N 0 3 325.456 3.557 20 30 EHEDHN Cn1cc(CN2CC(C3CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000459597617 1032316469 /nfs/dbraw/zinc/31/64/69/1032316469.db2.gz VQGNTYYZMCSQRE-UHFFFAOYSA-N 0 3 334.467 3.971 20 30 EHEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1OCCC(C)C ZINC000905079680 1032331476 /nfs/dbraw/zinc/33/14/76/1032331476.db2.gz DPEOHPLETNOBOC-NCPSJORJSA-N 0 3 341.411 3.553 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459640610 1032361072 /nfs/dbraw/zinc/36/10/72/1032361072.db2.gz LQUADWCZRQFJHP-MRXNPFEDSA-N 0 3 338.373 3.739 20 30 EHEDHN N#Cc1cccc(OCCCN2CCC(CC(F)(F)F)CC2)c1 ZINC000584425947 1032514200 /nfs/dbraw/zinc/51/42/00/1032514200.db2.gz VBIMKQFUOLUSHI-UHFFFAOYSA-N 0 3 326.362 3.992 20 30 EHEDHN N#CCCN(C(=O)CN1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000053065133 1032575540 /nfs/dbraw/zinc/57/55/40/1032575540.db2.gz PVEGSQPDOMWUHI-HKUYNNGSSA-N 0 3 325.456 3.588 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000449465384 1032614717 /nfs/dbraw/zinc/61/47/17/1032614717.db2.gz CPQJREDJTCKLOY-DJIMGWMZSA-N 0 3 338.373 3.702 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000449465386 1032615708 /nfs/dbraw/zinc/61/57/08/1032615708.db2.gz CPQJREDJTCKLOY-UAGQMJEPSA-N 0 3 338.373 3.702 20 30 EHEDHN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]2CCCC[C@@H]12 ZINC000541112451 1017542613 /nfs/dbraw/zinc/54/26/13/1017542613.db2.gz PXKMLLNHIQNPPF-PVUWLOKVSA-N 0 3 331.847 3.661 20 30 EHEDHN CC(C)(CNC[C@@H](C#N)CCC#N)c1ccc(Br)cc1 ZINC000549194672 1017598203 /nfs/dbraw/zinc/59/82/03/1017598203.db2.gz NQIRYMZOBOUQCY-CYBMUJFWSA-N 0 3 334.261 3.760 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000728711439 1018326867 /nfs/dbraw/zinc/32/68/67/1018326867.db2.gz FBVLXKDZPWBHDR-HUUCEWRRSA-N 0 3 349.434 3.713 20 30 EHEDHN CCN(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000593073043 1032770604 /nfs/dbraw/zinc/77/06/04/1032770604.db2.gz OEAHBCIDVKVVAP-HUUCEWRRSA-N 0 3 340.345 3.659 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(C(F)(F)F)c1 ZINC000449554467 1032790562 /nfs/dbraw/zinc/79/05/62/1032790562.db2.gz OISHKZCHUKHKGL-IJEWVQPXSA-N 0 3 338.373 3.560 20 30 EHEDHN CN(Cc1ccc(Br)cc1)Cc1ccc(OCC#N)cc1 ZINC000729266754 1019255239 /nfs/dbraw/zinc/25/52/39/1019255239.db2.gz GUNSFAFTBRMURK-UHFFFAOYSA-N 0 3 345.240 3.983 20 30 EHEDHN C[C@@H](N[C@H]1CC(C)(C)CCc2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000580517176 1019537094 /nfs/dbraw/zinc/53/70/94/1019537094.db2.gz PEINPFLNYHADMT-QAPCUYQASA-N 0 3 339.483 3.631 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172753324 1032907891 /nfs/dbraw/zinc/90/78/91/1032907891.db2.gz BEZFJLYLVOEDTF-FQEVSTJZSA-N 0 3 349.434 3.796 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000581431951 1020913733 /nfs/dbraw/zinc/91/37/33/1020913733.db2.gz CSUATWVRLFDSER-INIZCTEOSA-N 0 3 339.370 3.670 20 30 EHEDHN C[C@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000276250804 1020961364 /nfs/dbraw/zinc/96/13/64/1020961364.db2.gz WEJGMUAYMGYDES-KXBFYZLASA-N 0 3 325.456 3.533 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNc1c(C#N)nnc2ccccc21)c1ccco1 ZINC000581599381 1021132554 /nfs/dbraw/zinc/13/25/54/1021132554.db2.gz DEMZQVAJYCVDGU-DYVFJYSZSA-N 0 3 335.411 3.636 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000426450094 1021618161 /nfs/dbraw/zinc/61/81/61/1021618161.db2.gz XANCKECKIJOKNO-GOSISDBHSA-N 0 3 337.385 3.950 20 30 EHEDHN COc1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1OCCCC#N ZINC000593695611 1033008222 /nfs/dbraw/zinc/00/82/22/1033008222.db2.gz SEQGXNLKPLEEKT-KRWDZBQOSA-N 0 3 336.382 3.609 20 30 EHEDHN Cc1cccc(C)c1CN(Cc1cnc2c(C#N)cnn2c1)CC(C)C ZINC000592518999 1033015624 /nfs/dbraw/zinc/01/56/24/1033015624.db2.gz FLJUURVZVMISPM-UHFFFAOYSA-N 0 3 347.466 3.876 20 30 EHEDHN N#CCCCOc1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000440113744 1021960175 /nfs/dbraw/zinc/96/01/75/1021960175.db2.gz ZEMKNKOYGNIVLF-LJQANCHMSA-N 0 3 341.455 3.715 20 30 EHEDHN C[C@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(C#N)cc1 ZINC000520216466 1022032902 /nfs/dbraw/zinc/03/29/02/1022032902.db2.gz KDYWESSCXVZOJJ-HRAATJIYSA-N 0 3 336.435 3.967 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000517384668 1022297837 /nfs/dbraw/zinc/29/78/37/1022297837.db2.gz HMOOODUQYZYCFN-ZWKOTPCHSA-N 0 3 348.437 3.711 20 30 EHEDHN O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)N[C@@H]1CCCc2ccccc21 ZINC000328865980 1022520709 /nfs/dbraw/zinc/52/07/09/1022520709.db2.gz BVTCIGIDUIMTSU-MBOZVWFJSA-N 0 3 341.455 3.508 20 30 EHEDHN COC(=O)c1csc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000602697149 1033077286 /nfs/dbraw/zinc/07/72/86/1033077286.db2.gz VMLZCWMWSRLCSK-KRWDZBQOSA-N 0 3 326.421 3.574 20 30 EHEDHN CC(C)(C#N)CCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510592307 1022718760 /nfs/dbraw/zinc/71/87/60/1022718760.db2.gz PIKJSNVMARVNCG-LJQANCHMSA-N 0 3 341.499 3.530 20 30 EHEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccoc1 ZINC000126590248 1022896149 /nfs/dbraw/zinc/89/61/49/1022896149.db2.gz QJXLXBWXYGDYSH-LBPRGKRZSA-N 0 3 336.319 3.555 20 30 EHEDHN C[C@H](CCC#N)CN1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602707985 1033094939 /nfs/dbraw/zinc/09/49/39/1033094939.db2.gz XDQGHQGXOAPTBE-QAPCUYQASA-N 0 3 328.456 3.867 20 30 EHEDHN Cc1cncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000426167050 1023024170 /nfs/dbraw/zinc/02/41/70/1023024170.db2.gz IQEXSRSVVBKFPC-GFCCVEGCSA-N 0 3 326.306 3.625 20 30 EHEDHN C=C(CNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1)c1ccccc1 ZINC000509572750 1023070598 /nfs/dbraw/zinc/07/05/98/1023070598.db2.gz VSDREWOILYHVRP-SJLPKXTDSA-N 0 3 341.455 3.721 20 30 EHEDHN CCC(CC)[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000536381689 1023133688 /nfs/dbraw/zinc/13/36/88/1023133688.db2.gz ITWOBXPKTSIBKA-MRXNPFEDSA-N 0 3 329.488 3.521 20 30 EHEDHN C=CCOc1cccc(CN2CCC(OCCOC(C)C)CC2)c1 ZINC000449726394 1033116382 /nfs/dbraw/zinc/11/63/82/1033116382.db2.gz KTTLSYMBFJQBGU-UHFFFAOYSA-N 0 3 333.472 3.657 20 30 EHEDHN CC1CCC(OC2CCN(CCOc3cccc(C#N)c3)CC2)CC1 ZINC000342000001 1023750863 /nfs/dbraw/zinc/75/08/63/1023750863.db2.gz XKDKSCXFJFPZKM-UHFFFAOYSA-N 0 3 342.483 3.997 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000280819199 1023959760 /nfs/dbraw/zinc/95/97/60/1023959760.db2.gz NEXANHHXPYSMCK-MDYRTPRTSA-N 0 3 340.471 3.516 20 30 EHEDHN COc1ccc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1F ZINC000237251399 1023960100 /nfs/dbraw/zinc/96/01/00/1023960100.db2.gz IANSWWUDMFEANE-KGLIPLIRSA-N 0 3 328.387 3.976 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)cc3cccnc32)CC1 ZINC000092144317 1023994905 /nfs/dbraw/zinc/99/49/05/1023994905.db2.gz NSGUUOVDZTXTBG-UHFFFAOYSA-N 0 3 338.455 3.705 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000346062798 1024080953 /nfs/dbraw/zinc/08/09/53/1024080953.db2.gz HGIIUVYANDQECU-KGLIPLIRSA-N 0 3 335.386 3.690 20 30 EHEDHN CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)CC2 ZINC000330048063 1024299805 /nfs/dbraw/zinc/29/98/05/1024299805.db2.gz JVBXXMOMABOXIX-NVXWUHKLSA-N 0 3 332.492 3.542 20 30 EHEDHN Cc1c2ccccc2oc1[C@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000330050262 1024303847 /nfs/dbraw/zinc/30/38/47/1024303847.db2.gz LMOPNYADJSEQEK-CABCVRRESA-N 0 3 341.455 3.956 20 30 EHEDHN C[C@@H](NCc1ccccc1Cn1cccn1)c1ccc(C#N)c(F)c1 ZINC000346047720 1024415366 /nfs/dbraw/zinc/41/53/66/1024415366.db2.gz OUSVMQIAYPVDAZ-OAHLLOKOSA-N 0 3 334.398 3.793 20 30 EHEDHN C[C@@H]1CN(CCCc2ccc(C(F)(F)F)cc2)C[C@H](C)N1CC#N ZINC000602859707 1033211688 /nfs/dbraw/zinc/21/16/88/1033211688.db2.gz GMCXOWFOUQAVRV-GASCZTMLSA-N 0 3 339.405 3.556 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](CC1CCCC1)c1ccccc1 ZINC000342232319 1024497501 /nfs/dbraw/zinc/49/75/01/1024497501.db2.gz YDELXEACFYKPCG-FXAWDEMLSA-N 0 3 341.499 3.906 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)ccc2-c2ccoc2)CC1 ZINC000472081790 1024636087 /nfs/dbraw/zinc/63/60/87/1024636087.db2.gz DJZQPKOWSPGGPK-UHFFFAOYSA-N 0 3 342.414 3.856 20 30 EHEDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000594084075 1033229338 /nfs/dbraw/zinc/22/93/38/1033229338.db2.gz NUJQGENAQGBMJF-UHFFFAOYSA-N 0 3 334.851 3.550 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN1CCC(Oc2ccccn2)CC1 ZINC000487411464 1025068405 /nfs/dbraw/zinc/06/84/05/1025068405.db2.gz KMPKSLNCODUFGN-UHFFFAOYSA-N 0 3 335.451 3.926 20 30 EHEDHN C=CCC[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000435765302 1025127626 /nfs/dbraw/zinc/12/76/26/1025127626.db2.gz SLOOQHKCXDCRFB-MOPGFXCFSA-N 0 3 327.472 3.572 20 30 EHEDHN N#Cc1ccnc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000342402269 1025212534 /nfs/dbraw/zinc/21/25/34/1025212534.db2.gz CZKYWGOSFYOXSU-MRXNPFEDSA-N 0 3 346.356 3.658 20 30 EHEDHN CCOc1c(F)cccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000442597542 1025385756 /nfs/dbraw/zinc/38/57/56/1025385756.db2.gz JMPSCPPHXJXUKL-ZDUSSCGKSA-N 0 3 337.354 3.601 20 30 EHEDHN CCOc1c(F)cccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000442597542 1025385769 /nfs/dbraw/zinc/38/57/69/1025385769.db2.gz JMPSCPPHXJXUKL-ZDUSSCGKSA-N 0 3 337.354 3.601 20 30 EHEDHN N#Cc1cccc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000263721486 1025615157 /nfs/dbraw/zinc/61/51/57/1025615157.db2.gz OLVGDESOVUPMAC-UHFFFAOYSA-N 0 3 337.398 3.548 20 30 EHEDHN Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cnn1C1CCCCC1 ZINC000329310829 1025745318 /nfs/dbraw/zinc/74/53/18/1025745318.db2.gz FYZWWZSPWMTMRN-DZGCQCFKSA-N 0 3 330.476 3.627 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC(C)(C)CC1 ZINC000303933356 1025825381 /nfs/dbraw/zinc/82/53/81/1025825381.db2.gz RDCPHKKVCROWKY-QGZVFWFLSA-N 0 3 327.472 3.834 20 30 EHEDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)CC#N)c1[O-] ZINC000848552510 1025925786 /nfs/dbraw/zinc/92/57/86/1025925786.db2.gz LQIUXWIDJOYDSG-SNVBAGLBSA-N 0 3 341.249 3.754 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2C)N(C)C)cc1 ZINC000178571840 1026019797 /nfs/dbraw/zinc/01/97/97/1026019797.db2.gz OXAGYJADYWFSEP-IBGZPJMESA-N 0 3 336.439 3.600 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2C(C)C)c1C ZINC000143289215 1026029572 /nfs/dbraw/zinc/02/95/72/1026029572.db2.gz FEMROZPQSPMPCI-SFHVURJKSA-N 0 3 327.472 3.671 20 30 EHEDHN C=CCCN(C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000466973735 1026376642 /nfs/dbraw/zinc/37/66/42/1026376642.db2.gz OXHLVQHTKMPJSL-IBGZPJMESA-N 0 3 329.488 3.677 20 30 EHEDHN COc1cccc([C@H]2C[C@H](N(C)Cc3ccc(C#N)cc3OC)C2)c1 ZINC000452017440 1026436028 /nfs/dbraw/zinc/43/60/28/1026436028.db2.gz NJZXXQLRDNVOOZ-WGSAOQKQSA-N 0 3 336.435 3.953 20 30 EHEDHN COC[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000452095076 1026471423 /nfs/dbraw/zinc/47/14/23/1026471423.db2.gz WQEGKNLIXOOMBI-INIZCTEOSA-N 0 3 325.374 3.805 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000657460304 1026560736 /nfs/dbraw/zinc/56/07/36/1026560736.db2.gz CZMVYYQRERGLQD-NRFANRHFSA-N 0 3 339.435 3.709 20 30 EHEDHN C=CCN1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000475432272 1026617552 /nfs/dbraw/zinc/61/75/52/1026617552.db2.gz YTVYPFQMSDBBEV-UHFFFAOYSA-N 0 3 330.215 3.964 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc2ccccc2n1 ZINC000122632477 1026628517 /nfs/dbraw/zinc/62/85/17/1026628517.db2.gz ACYHVIANILQGSV-CQSZACIVSA-N 0 3 326.359 3.612 20 30 EHEDHN C[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCCO1 ZINC000193048678 1026691669 /nfs/dbraw/zinc/69/16/69/1026691669.db2.gz MXJCKKQOGNTOAG-LJQANCHMSA-N 0 3 334.463 3.997 20 30 EHEDHN N#CC(C(=O)Cc1ccc(F)cc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000176722621 1026880451 /nfs/dbraw/zinc/88/04/51/1026880451.db2.gz XXXDTXRBXPTSQA-CQSZACIVSA-N 0 3 348.736 3.508 20 30 EHEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000501207973 1027135303 /nfs/dbraw/zinc/13/53/03/1027135303.db2.gz WEFAWBJQDQPKIL-HXUWFJFHSA-N 0 3 335.451 3.668 20 30 EHEDHN N#CCC1(CNCc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000430056460 1027231153 /nfs/dbraw/zinc/23/11/53/1027231153.db2.gz GRPOFYIUDINXEQ-UHFFFAOYSA-N 0 3 345.187 3.834 20 30 EHEDHN C[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)N(C)Cc1ccccc1 ZINC000475902058 1027442164 /nfs/dbraw/zinc/44/21/64/1027442164.db2.gz UDIXCPMGBYKXLD-KRWDZBQOSA-N 0 3 349.478 3.738 20 30 EHEDHN N#CCCCOc1cccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000414482786 1027936285 /nfs/dbraw/zinc/93/62/85/1027936285.db2.gz GNXLJEGUKQKIQJ-PZJWPPBQSA-N 0 3 336.435 3.677 20 30 EHEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)C[C@@H]1CCCO1 ZINC000444667518 1028139186 /nfs/dbraw/zinc/13/91/86/1028139186.db2.gz AGLWFFKDEIDRJV-NRFANRHFSA-N 0 3 334.463 3.997 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(C)Cc1ccc(F)c(C)c1 ZINC000444741934 1028226283 /nfs/dbraw/zinc/22/62/83/1028226283.db2.gz FGWMWMOSCMZRCV-UHFFFAOYSA-N 0 3 328.387 3.525 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](C(C)C)C2)c1C ZINC000444764022 1028247370 /nfs/dbraw/zinc/24/73/70/1028247370.db2.gz ACEJMKGWRUYEGF-IBGZPJMESA-N 0 3 341.499 3.918 20 30 EHEDHN N#Cc1ccc(OCCN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502531584 1028293057 /nfs/dbraw/zinc/29/30/57/1028293057.db2.gz PXOBJSONLQZGSX-UHFFFAOYSA-N 0 3 329.403 3.598 20 30 EHEDHN Cc1cccc([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000502618036 1028438412 /nfs/dbraw/zinc/43/84/12/1028438412.db2.gz QVJHQDGJCZMTNZ-UZLBHIALSA-N 0 3 333.435 3.713 20 30 EHEDHN C=CCCCCCN(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000523565366 1028444979 /nfs/dbraw/zinc/44/49/79/1028444979.db2.gz XICUQNYIIGVLNG-UHFFFAOYSA-N 0 3 343.515 3.823 20 30 EHEDHN N#CCCn1cc(CNCc2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000072714086 1028516095 /nfs/dbraw/zinc/51/60/95/1028516095.db2.gz GAPFOLUOTOARKA-UHFFFAOYSA-N 0 3 334.398 3.893 20 30 EHEDHN N#CC(C(=O)CCc1ccc2ccccc2c1)C(=O)NC1CCCC1 ZINC000054465938 1028520785 /nfs/dbraw/zinc/52/07/85/1028520785.db2.gz UZSNTKWBVFLGSO-IBGZPJMESA-N 0 3 334.419 3.540 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000424113639 1028809140 /nfs/dbraw/zinc/80/91/40/1028809140.db2.gz NTGDRFYTJVRVAA-HXUWFJFHSA-N 0 3 335.451 3.822 20 30 EHEDHN Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1OCC1CCCCC1 ZINC000424124596 1028819672 /nfs/dbraw/zinc/81/96/72/1028819672.db2.gz MMQTXKFIAPJFFL-SFHVURJKSA-N 0 3 343.471 3.914 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000424147968 1028834378 /nfs/dbraw/zinc/83/43/78/1028834378.db2.gz ZGGRMKUOMOQUPM-KRWDZBQOSA-N 0 3 333.863 3.632 20 30 EHEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)nn1 ZINC000424294877 1028936438 /nfs/dbraw/zinc/93/64/38/1028936438.db2.gz LNJWPYCGKXKCRR-NVXWUHKLSA-N 0 3 330.863 3.934 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183690175 1029106641 /nfs/dbraw/zinc/10/66/41/1029106641.db2.gz MWDFUZPYWGLVRE-HNNXBMFYSA-N 0 3 346.434 3.912 20 30 EHEDHN C=CCC[C@H](O)CN(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445895404 1029215063 /nfs/dbraw/zinc/21/50/63/1029215063.db2.gz GDTCCQHBUFQUCJ-DZGCQCFKSA-N 0 3 340.261 3.532 20 30 EHEDHN N#Cc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1F ZINC000192163975 1029608058 /nfs/dbraw/zinc/60/80/58/1029608058.db2.gz XZDTZSCEWSLQHP-FQEVSTJZSA-N 0 3 338.382 3.709 20 30 EHEDHN CC1(C)[C@H]2CC[C@]1(C)[C@H](NCc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000163079054 1029886256 /nfs/dbraw/zinc/88/62/56/1029886256.db2.gz KWTQQGICTIMIGB-RZQQEMMASA-N 0 3 336.439 3.913 20 30 EHEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCc2ccccc2C1 ZINC000525783798 1030119273 /nfs/dbraw/zinc/11/92/73/1030119273.db2.gz VIMADJAOZKXERF-IBGZPJMESA-N 0 3 344.418 3.598 20 30 EHEDHN CC[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447532192 1030268375 /nfs/dbraw/zinc/26/83/75/1030268375.db2.gz SQXUWMXGGGGFPQ-PMACEKPBSA-N 0 3 333.435 3.795 20 30 EHEDHN CC[C@H](NCc1ccc(C(=O)OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000447582885 1030312804 /nfs/dbraw/zinc/31/28/04/1030312804.db2.gz ADBQGZLIRYKLJU-SFHVURJKSA-N 0 3 338.407 3.594 20 30 EHEDHN CC[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(C#N)cc1 ZINC000447581396 1030346310 /nfs/dbraw/zinc/34/63/10/1030346310.db2.gz UJRZDBCMRWDEKW-QZTJIDSGSA-N 0 3 337.398 3.544 20 30 EHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000246311513 1030442145 /nfs/dbraw/zinc/44/21/45/1030442145.db2.gz CMCAVQVJYNSKCZ-LMMKCTJWSA-N 0 3 339.483 3.596 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc3c(c2)OCCCO3)cc1 ZINC000161859672 1030594041 /nfs/dbraw/zinc/59/40/41/1030594041.db2.gz LQYMJKLLCSLJFG-INIZCTEOSA-N 0 3 337.419 3.711 20 30 EHEDHN CC[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCS1 ZINC000093502018 1030620914 /nfs/dbraw/zinc/62/09/14/1030620914.db2.gz PYVFNGRRZRGAEC-GOSISDBHSA-N 0 3 340.496 3.791 20 30 EHEDHN N#Cc1ccc(CN2CCCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000022850410 1030639792 /nfs/dbraw/zinc/63/97/92/1030639792.db2.gz FSQLGTFESOLZHV-UHFFFAOYSA-N 0 3 339.870 3.920 20 30 EHEDHN C[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000527193946 1030689903 /nfs/dbraw/zinc/68/99/03/1030689903.db2.gz XIEORRUERHBQJN-AWEZNQCLSA-N 0 3 349.459 3.740 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000171738374 1030811832 /nfs/dbraw/zinc/81/18/32/1030811832.db2.gz DEFVIXDGSPYWQJ-SFHVURJKSA-N 0 3 347.890 3.837 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2s1 ZINC000527484613 1030908413 /nfs/dbraw/zinc/90/84/13/1030908413.db2.gz QDXMYNFTGBPTON-NJSLBKSFSA-N 0 3 343.496 3.995 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000527484611 1030908968 /nfs/dbraw/zinc/90/89/68/1030908968.db2.gz QDXMYNFTGBPTON-BIENJYKASA-N 0 3 343.496 3.995 20 30 EHEDHN C=C(C)CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483250802 1031065767 /nfs/dbraw/zinc/06/57/67/1031065767.db2.gz PCZSJDRYAVWROL-GFCCVEGCSA-N 0 3 338.167 3.667 20 30 EHEDHN C=CCOc1ccccc1CNC[C@H](OC)c1cccc(OC)c1 ZINC000527735988 1031188465 /nfs/dbraw/zinc/18/84/65/1031188465.db2.gz AJOXOSNGGSSYGS-FQEVSTJZSA-N 0 3 327.424 3.737 20 30 EHEDHN C=CCN(CCC(=O)Nc1cccc(OC)c1)Cc1cccs1 ZINC000174707581 1031246486 /nfs/dbraw/zinc/24/64/86/1031246486.db2.gz DPZOLTCLLKTROL-UHFFFAOYSA-N 0 3 330.453 3.774 20 30 EHEDHN COc1ccc(CN(CC#Cc2ccccc2)[C@H](CO)C(C)C)cc1 ZINC000484068671 1031442577 /nfs/dbraw/zinc/44/25/77/1031442577.db2.gz JIGHMNSSRBKAJT-JOCHJYFZSA-N 0 3 337.463 3.566 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000083216832 1031485692 /nfs/dbraw/zinc/48/56/92/1031485692.db2.gz BZWYIWKQFANISI-IAGOWNOFSA-N 0 3 329.488 3.518 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475737150 1031716548 /nfs/dbraw/zinc/71/65/48/1031716548.db2.gz CNSCIVZFQCWBKZ-KHYOSLBOSA-N 0 3 349.906 3.818 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2C(C)(F)F)CC1 ZINC000455808506 1032014156 /nfs/dbraw/zinc/01/41/56/1032014156.db2.gz NNWDXRHZNANULO-UHFFFAOYSA-N 0 3 337.414 3.960 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN1Cc2ccccc2C[C@@H]1C ZINC000607755135 1033301497 /nfs/dbraw/zinc/30/14/97/1033301497.db2.gz IEGQSFZPGVPOFM-LAUBAEHRSA-N 0 3 337.463 3.602 20 30 EHEDHN O=C1C=C2CN(Cc3ncc(C(F)(F)F)cc3Cl)CCC2S1 ZINC001142538588 1033355693 /nfs/dbraw/zinc/35/56/93/1033355693.db2.gz KMACAWFVWVCUME-GFCCVEGCSA-N 0 3 348.777 3.528 20 30 EHEDHN CC(C)(C)C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000594430013 1033365330 /nfs/dbraw/zinc/36/53/30/1033365330.db2.gz XKVWHOIRJDVZCJ-DLBZAZTESA-N 0 3 333.451 3.830 20 30 EHEDHN CCc1ccc(-c2csc(NC(=O)[C@H](N)CCCCC#N)n2)s1 ZINC000594428292 1033366707 /nfs/dbraw/zinc/36/67/07/1033366707.db2.gz XVQVFXPATBQGGH-GFCCVEGCSA-N 0 3 348.497 3.784 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000594435623 1033371701 /nfs/dbraw/zinc/37/17/01/1033371701.db2.gz DNXDRDCIZIBUHV-KRWDZBQOSA-N 0 3 343.377 3.982 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000594438364 1033373730 /nfs/dbraw/zinc/37/37/30/1033373730.db2.gz MUZGDTOIIRZJIS-HXUWFJFHSA-N 0 3 333.435 3.607 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000594442448 1033374319 /nfs/dbraw/zinc/37/43/19/1033374319.db2.gz GJEANERSNSDSDQ-UXHICEINSA-N 0 3 341.499 3.802 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000594436411 1033374529 /nfs/dbraw/zinc/37/45/29/1033374529.db2.gz IXLSIWBPBCFIDS-NRFANRHFSA-N 0 3 349.478 3.957 20 30 EHEDHN CC(C)(C)c1nc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2s1 ZINC000594437266 1033375446 /nfs/dbraw/zinc/37/54/46/1033375446.db2.gz LDLDPJFDVXMERR-CYBMUJFWSA-N 0 3 344.484 3.944 20 30 EHEDHN CC(C)(C)c1ccc(C(C)(C)CNC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594443781 1033379038 /nfs/dbraw/zinc/37/90/38/1033379038.db2.gz URUYXCAGHZKRET-SFHVURJKSA-N 0 3 343.515 3.789 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(CCc1ccccc1F)C1CCCC1 ZINC000594425681 1033388506 /nfs/dbraw/zinc/38/85/06/1033388506.db2.gz BGVAHTNLZFKNRP-LJQANCHMSA-N 0 3 345.462 3.551 20 30 EHEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000594501068 1033402167 /nfs/dbraw/zinc/40/21/67/1033402167.db2.gz HNHJOQFOVPKESB-CYBMUJFWSA-N 0 3 334.423 3.920 20 30 EHEDHN CN(C)Cc1cc(CNCc2ccc(C3(C#N)CC3)cc2)ccc1F ZINC000594921333 1033547635 /nfs/dbraw/zinc/54/76/35/1033547635.db2.gz HQYGEDMIZVYVSB-UHFFFAOYSA-N 0 3 337.442 3.732 20 30 EHEDHN COc1cc(CN2CC[C@H]3C[C@H]32)ccc1OCc1cccc(C#N)c1 ZINC000761087454 1033622080 /nfs/dbraw/zinc/62/20/80/1033622080.db2.gz PEYXSFBLWYZTOD-RBUKOAKNSA-N 0 3 334.419 3.740 20 30 EHEDHN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595610364 1033919699 /nfs/dbraw/zinc/91/96/99/1033919699.db2.gz XBYQTDUIYPOQRE-HKUYNNGSSA-N 0 3 344.499 3.658 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC)c(OCC)c2)cc1 ZINC000168806844 1033928549 /nfs/dbraw/zinc/92/85/49/1033928549.db2.gz MYERIKPMVHFFOS-INIZCTEOSA-N 0 3 339.435 3.957 20 30 EHEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCC2 ZINC000595778737 1033996963 /nfs/dbraw/zinc/99/69/63/1033996963.db2.gz UKWCHCXHEWEDOA-DLBZAZTESA-N 0 3 343.427 3.682 20 30 EHEDHN Cc1cc(CN2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1C#N ZINC000599585428 1034024320 /nfs/dbraw/zinc/02/43/20/1034024320.db2.gz YULZNLATVAVPIB-YJBOKZPZSA-N 0 3 328.456 3.666 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599587025 1034028816 /nfs/dbraw/zinc/02/88/16/1034028816.db2.gz KKXYNNSSSGCHIZ-IIDMSEBBSA-N 0 3 328.456 3.919 20 30 EHEDHN N#Cc1ccc(Cl)cc1NC(=O)CN(CCC1CC1)CC1CC1 ZINC000595871004 1034031915 /nfs/dbraw/zinc/03/19/15/1034031915.db2.gz JCJYZFNVEDWSKD-UHFFFAOYSA-N 0 3 331.847 3.662 20 30 EHEDHN CC[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1cc(C)ccc1C ZINC000599641532 1034067707 /nfs/dbraw/zinc/06/77/07/1034067707.db2.gz STUXVQQRILJLTP-GOSISDBHSA-N 0 3 327.472 3.687 20 30 EHEDHN C=C[C@H](CO)N[C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000658333893 1034204557 /nfs/dbraw/zinc/20/45/57/1034204557.db2.gz UYRHZZAVRSRYRY-KGLIPLIRSA-N 0 3 334.872 3.977 20 30 EHEDHN COC(=O)c1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)c(C)o1 ZINC000604512507 1034407540 /nfs/dbraw/zinc/40/75/40/1034407540.db2.gz NSTKJFNAGCEVFK-UHFFFAOYSA-N 0 3 340.423 3.905 20 30 EHEDHN CC(C)CN(Cc1ccnn1-c1ccncc1)Cc1ccc(C#N)cc1 ZINC000596984035 1034481644 /nfs/dbraw/zinc/48/16/44/1034481644.db2.gz NVCDFNNCIFIKGP-UHFFFAOYSA-N 0 3 345.450 3.797 20 30 EHEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1OCCc2ccccc21 ZINC000596999040 1034499551 /nfs/dbraw/zinc/49/95/51/1034499551.db2.gz AAXLEIVEUWCHRJ-NRFANRHFSA-N 0 3 332.447 3.988 20 30 EHEDHN Cn1cc(CN2CCC[C@@H](CC#N)C2)c(-c2cc3ccccc3o2)n1 ZINC000597173326 1034582771 /nfs/dbraw/zinc/58/27/71/1034582771.db2.gz ISAVBWSKKWHYQL-HNNXBMFYSA-N 0 3 334.423 3.959 20 30 EHEDHN CN(Cc1cccc(OCc2cccc(C#N)c2)c1)CC1=CCCOC1 ZINC000597205057 1034608623 /nfs/dbraw/zinc/60/86/23/1034608623.db2.gz CIGWJZWTWVWHKJ-UHFFFAOYSA-N 0 3 348.446 3.916 20 30 EHEDHN C=C(C)COc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)ccc1OC ZINC000121291979 1034636095 /nfs/dbraw/zinc/63/60/95/1034636095.db2.gz KVSCFQARXONQMM-QGZVFWFLSA-N 0 3 341.455 3.753 20 30 EHEDHN COc1cc([C@H](C)NCc2ccc(CC#N)cc2)cc(OC)c1OC ZINC000343818566 1034797759 /nfs/dbraw/zinc/79/77/59/1034797759.db2.gz NGOUVVAZCVGKSU-AWEZNQCLSA-N 0 3 340.423 3.629 20 30 EHEDHN C=C(CN[C@@H](C)c1ccccc1OCC(=O)OC)c1ccccc1 ZINC000612407638 1034890212 /nfs/dbraw/zinc/89/02/12/1034890212.db2.gz VTRMMXCCHMFSMZ-INIZCTEOSA-N 0 3 325.408 3.602 20 30 EHEDHN C[C@@H](c1ccccc1F)N(C)CCC(=O)Nc1sccc1C#N ZINC000053124926 1035203240 /nfs/dbraw/zinc/20/32/40/1035203240.db2.gz VPAARWGUWGSSOH-LBPRGKRZSA-N 0 3 331.416 3.780 20 30 EHEDHN C=CCOc1ccccc1CN[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000310653133 1035254990 /nfs/dbraw/zinc/25/49/90/1035254990.db2.gz KMZOAYFSNDQADV-IAGOWNOFSA-N 0 3 346.471 3.787 20 30 EHEDHN Cc1cc2scc(CC(=O)C(C#N)C(=O)NC3CCCC3)c2s1 ZINC000892530701 1035436855 /nfs/dbraw/zinc/43/68/55/1035436855.db2.gz VGFFAIPLLGVHIV-ZDUSSCGKSA-N 0 3 346.477 3.581 20 30 EHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000090106727 1036046803 /nfs/dbraw/zinc/04/68/03/1036046803.db2.gz QFMHAGIMJNCDTG-ZDUSSCGKSA-N 0 3 332.350 3.889 20 30 EHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)CN(C)CC(C)(C)C ZINC000588901367 1036150014 /nfs/dbraw/zinc/15/00/14/1036150014.db2.gz KREVPHBRJSAFFF-UHFFFAOYSA-N 0 3 328.909 3.894 20 30 EHEDHN COc1ccc(OC2CCN(Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000541282633 1036164587 /nfs/dbraw/zinc/16/45/87/1036164587.db2.gz PDPDYHJEFGQJPT-UHFFFAOYSA-N 0 3 336.435 3.805 20 30 EHEDHN CCc1ccccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180237229 1036330072 /nfs/dbraw/zinc/33/00/72/1036330072.db2.gz PGUFJHNWTXTUHQ-UHFFFAOYSA-N 0 3 330.435 3.811 20 30 EHEDHN CC(C)C[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1cccs1 ZINC000541626251 1036514741 /nfs/dbraw/zinc/51/47/41/1036514741.db2.gz VVJRBNLHFLWFJI-RVKKMQEKSA-N 0 3 335.517 3.868 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccccc1C#N)Cc1ccc(OC)cc1 ZINC000165648358 1036651134 /nfs/dbraw/zinc/65/11/34/1036651134.db2.gz VNDCSNNBSJESFX-UHFFFAOYSA-N 0 3 349.434 3.584 20 30 EHEDHN COc1cc(OC)c(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)c(OC)c1 ZINC000590153460 1036775957 /nfs/dbraw/zinc/77/59/57/1036775957.db2.gz YSXOPSFYVKFZMZ-HOCLYGCPSA-N 0 3 344.455 3.584 20 30 EHEDHN C=CCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000171566371 1037025077 /nfs/dbraw/zinc/02/50/77/1037025077.db2.gz SMEJLWDXXVTOFI-UHFFFAOYSA-N 0 3 348.446 3.691 20 30 EHEDHN FC(F)(F)c1ccc(C#CCNCc2cccc3c[nH]nc32)cc1 ZINC000539702066 1037105750 /nfs/dbraw/zinc/10/57/50/1037105750.db2.gz CXGKZFWVCMZRKY-UHFFFAOYSA-N 0 3 329.325 3.723 20 30 EHEDHN N#Cc1ccc(O[C@@H]2CCN([C@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000428795547 1037172199 /nfs/dbraw/zinc/17/21/99/1037172199.db2.gz XACKVLIRKBCYOC-MJGOQNOKSA-N 0 3 337.398 3.623 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000121875205 1037736886 /nfs/dbraw/zinc/73/68/86/1037736886.db2.gz IRGZRPRICQUBTJ-UHFFFAOYSA-N 0 3 346.434 3.823 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C#N)c(F)c1 ZINC000271931741 1037814894 /nfs/dbraw/zinc/81/48/94/1037814894.db2.gz IKADILTURGQKDV-QWHCGFSZSA-N 0 3 337.398 3.628 20 30 EHEDHN N#CCc1ccc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)cc1 ZINC000592177763 1037853165 /nfs/dbraw/zinc/85/31/65/1037853165.db2.gz PTXUDZYWPSCFKV-NRFANRHFSA-N 0 3 332.447 3.912 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000592507361 1038014624 /nfs/dbraw/zinc/01/46/24/1038014624.db2.gz XPRDWKGHTHBMGF-UXHICEINSA-N 0 3 341.499 3.662 20 30 EHEDHN N#CC(C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1ccccn1 ZINC000041481459 1038227345 /nfs/dbraw/zinc/22/73/45/1038227345.db2.gz WNHFHSBAYRZPNM-MRXNPFEDSA-N 0 3 328.375 3.635 20 30 EHEDHN C=CCc1cc(CN2CCC(OCC3CC3)CC2)cc(OC)c1O ZINC000378340650 1038488390 /nfs/dbraw/zinc/48/83/90/1038488390.db2.gz IABDSIZYWRVXQV-UHFFFAOYSA-N 0 3 331.456 3.520 20 30 EHEDHN Cc1ccccc1[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485257690 1038822782 /nfs/dbraw/zinc/82/27/82/1038822782.db2.gz GJRXDYBOIPPPDD-UZLBHIALSA-N 0 3 333.435 3.713 20 30 EHEDHN C=CCCCCCN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000488120444 1038894280 /nfs/dbraw/zinc/89/42/80/1038894280.db2.gz VXOIDHNAQVDPEC-MRXNPFEDSA-N 0 3 328.378 3.742 20 30 EHEDHN CN(C)Cc1cccc(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416755983 1038987214 /nfs/dbraw/zinc/98/72/14/1038987214.db2.gz IMARXSJSSQRHBR-HXUWFJFHSA-N 0 3 348.450 3.819 20 30 EHEDHN C=CCSc1ccccc1C(=O)NCCN(C)Cc1ccccc1 ZINC000485461682 1039104261 /nfs/dbraw/zinc/10/42/61/1039104261.db2.gz FVJMDQQUWJBQOB-UHFFFAOYSA-N 0 3 340.492 3.827 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](c1ccccc1)C(C)C ZINC000728763273 1039128507 /nfs/dbraw/zinc/12/85/07/1039128507.db2.gz IVGVBCKAZGAHBA-ROUUACIJSA-N 0 3 328.456 3.832 20 30 EHEDHN C=CC[C@H](C(=O)NCCCN1CCc2ccccc2C1)c1ccccc1 ZINC000488605561 1039291574 /nfs/dbraw/zinc/29/15/74/1039291574.db2.gz CSRVEFTUMHVMRL-QFIPXVFZSA-N 0 3 348.490 3.911 20 30 EHEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccccc1 ZINC000728914228 1039325017 /nfs/dbraw/zinc/32/50/17/1039325017.db2.gz DPNQUQORSJALAT-OAHLLOKOSA-N 0 3 335.432 3.999 20 30 EHEDHN C=CCOc1ccc(CNCc2cn(C)nc2-c2ccccc2)cc1 ZINC000512521529 1039563605 /nfs/dbraw/zinc/56/36/05/1039563605.db2.gz GNAMQDPEGVTFCP-UHFFFAOYSA-N 0 3 333.435 3.942 20 30 EHEDHN COc1ccnc([C@@H](C)NCCSCc2ccccc2C#N)c1 ZINC000924809226 1039742883 /nfs/dbraw/zinc/74/28/83/1039742883.db2.gz AJVJJQPQVMENQG-CQSZACIVSA-N 0 3 327.453 3.546 20 30 EHEDHN CC[C@@H](C)CN(CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000489361906 1039901163 /nfs/dbraw/zinc/90/11/63/1039901163.db2.gz TZFWBBMCIOTFBP-CHWSQXEVSA-N 0 3 333.501 3.803 20 30 EHEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000489507712 1040048018 /nfs/dbraw/zinc/04/80/18/1040048018.db2.gz JDCOCJDRDIHPDC-OLZOCXBDSA-N 0 3 330.255 3.774 20 30 EHEDHN C=CCOc1ccc(CNCc2cc(OC)c(OC)cc2C)cc1 ZINC000512560188 1040141944 /nfs/dbraw/zinc/14/19/44/1040141944.db2.gz CFQILRQTOHGHCR-UHFFFAOYSA-N 0 3 327.424 3.867 20 30 EHEDHN C[C@@H](NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc(C#N)cc1F ZINC000512661362 1040446079 /nfs/dbraw/zinc/44/60/79/1040446079.db2.gz RMPILHIEIHLSSI-BFUOFWGJSA-N 0 3 329.394 3.790 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000433017577 1040461817 /nfs/dbraw/zinc/46/18/17/1040461817.db2.gz ZAVDJFUAAZYUGZ-GOSISDBHSA-N 0 3 343.377 3.928 20 30 EHEDHN C[C@@H]1C[C@@H](C)CN(C(=O)CN[C@H](CCCC#N)c2ccccc2)C1 ZINC000433017989 1040462420 /nfs/dbraw/zinc/46/24/20/1040462420.db2.gz DTXRMZIBWZCUSD-ZHALLVOQSA-N 0 3 327.472 3.516 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000433036962 1040539237 /nfs/dbraw/zinc/53/92/37/1040539237.db2.gz AUCWJZHQVFYTTG-QGZVFWFLSA-N 0 3 343.377 3.928 20 30 EHEDHN C[C@H](CN(CC#Cc1ccc(F)cc1)[C@@H](C)CO)c1ccccc1 ZINC000553945334 1040616541 /nfs/dbraw/zinc/61/65/41/1040616541.db2.gz WGYATESSHWEXRS-MSOLQXFVSA-N 0 3 325.427 3.664 20 30 EHEDHN Cn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(-c2ccncc2)n1 ZINC000418140794 1040651678 /nfs/dbraw/zinc/65/16/78/1040651678.db2.gz FWONWFQLVIFSCY-HXUWFJFHSA-N 0 3 343.434 3.521 20 30 EHEDHN C[C@@H](NCC1(CO)CC(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000433083233 1040676781 /nfs/dbraw/zinc/67/67/81/1040676781.db2.gz OHEYABUBKNYOJE-AZOSJMHDSA-N 0 3 338.426 3.904 20 30 EHEDHN CC[C@@H](CN(CC)[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000481682968 1041230855 /nfs/dbraw/zinc/23/08/55/1041230855.db2.gz BVIDWHDNDNRQTA-PXNSSMCTSA-N 0 3 335.451 3.600 20 30 EHEDHN Cc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c(CN(C)C)c1 ZINC000433345475 1041307374 /nfs/dbraw/zinc/30/73/74/1041307374.db2.gz XOLZOFORSWKIIT-GOSISDBHSA-N 0 3 335.451 3.768 20 30 EHEDHN C/C(=C\c1ccccc1)CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000500395366 1041328274 /nfs/dbraw/zinc/32/82/74/1041328274.db2.gz HAUSKDMIOAVSAZ-UEBLJOKOSA-N 0 3 345.446 3.747 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000053749255 1041423773 /nfs/dbraw/zinc/42/37/73/1041423773.db2.gz DKYVDGYNBNMEMD-KXBFYZLASA-N 0 3 334.423 3.515 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000660450510 1041425418 /nfs/dbraw/zinc/42/54/18/1041425418.db2.gz SGJLGANYRYJSFH-MDNKFWRPSA-N 0 3 339.483 3.715 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000662085359 1042503316 /nfs/dbraw/zinc/50/33/16/1042503316.db2.gz FRNKEDORQLUDBQ-NCOADZHNSA-N 0 3 330.497 3.983 20 30 EHEDHN CCN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC1CC1 ZINC000163276485 1043928845 /nfs/dbraw/zinc/92/88/45/1043928845.db2.gz NQPKPTAWRHEEIQ-UHFFFAOYSA-N 0 3 333.863 3.627 20 30 EHEDHN C=C(C)COc1cc(CN[C@@H](CCO)c2ccccc2)ccc1OC ZINC000344435320 1043998772 /nfs/dbraw/zinc/99/87/72/1043998772.db2.gz DGCOQRADCBKAQD-IBGZPJMESA-N 0 3 341.451 3.863 20 30 EHEDHN N#Cc1ccc(N2CCN(C[C@H]3C[C@H]3c3ccccc3)CC2)c(F)c1 ZINC000512247319 1044387680 /nfs/dbraw/zinc/38/76/80/1044387680.db2.gz XOEPWKTXMDIDPN-MOPGFXCFSA-N 0 3 335.426 3.623 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(NC(C)=O)cc2)c1 ZINC000073012247 1126974893 /nfs/dbraw/zinc/97/48/93/1126974893.db2.gz RNXKWTKWTNVSIM-IBGZPJMESA-N 0 3 337.423 3.616 20 30 EHEDHN N#CC[C@@H](CC(=O)O[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000796687817 1127727797 /nfs/dbraw/zinc/72/77/97/1127727797.db2.gz BQJADPKUZMYDPQ-LEWJYISDSA-N 0 3 348.446 3.892 20 30 EHEDHN CO[C@@H](CN1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000338549763 1127798500 /nfs/dbraw/zinc/79/85/00/1127798500.db2.gz XFDLGJIGZLHLOK-NRFANRHFSA-N 0 3 336.435 3.789 20 30 EHEDHN C=CCN1CCC(NC(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000172291654 1127871812 /nfs/dbraw/zinc/87/18/12/1127871812.db2.gz UCOCXWVBGHGOLU-UHFFFAOYSA-N 0 3 344.524 3.858 20 30 EHEDHN C=CCN(CCc1ccco1)C[C@@H](O)COc1cc(C)ccc1Cl ZINC001168579389 1128005167 /nfs/dbraw/zinc/00/51/67/1128005167.db2.gz IUFGSDPQZIVVNU-MRXNPFEDSA-N 0 3 349.858 3.712 20 30 EHEDHN C=CCOc1ccc(CNCc2c[nH]nc2-c2cccc(OC)c2)cc1 ZINC000671723938 1128134520 /nfs/dbraw/zinc/13/45/20/1128134520.db2.gz QURSVIBASWPIKG-UHFFFAOYSA-N 0 3 349.434 3.940 20 30 EHEDHN CC(=O)c1ccc(C#N)c(NC2CCN(CCc3ccccc3)CC2)c1 ZINC000273194126 1128448901 /nfs/dbraw/zinc/44/89/01/1128448901.db2.gz JVDLDQYYUCBPDL-UHFFFAOYSA-N 0 3 347.462 3.880 20 30 EHEDHN COc1ccccc1[C@@H](CNc1cccc(C#N)n1)N1CCCCC1 ZINC000301294550 1128582628 /nfs/dbraw/zinc/58/26/28/1128582628.db2.gz WQNOWLRNUJKRQG-GOSISDBHSA-N 0 3 336.439 3.601 20 30 EHEDHN CN(CCOc1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000057382062 1128634150 /nfs/dbraw/zinc/63/41/50/1128634150.db2.gz YMQYGIIBNRXJNL-UHFFFAOYSA-N 0 3 345.240 3.832 20 30 EHEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000072663317 1128731990 /nfs/dbraw/zinc/73/19/90/1128731990.db2.gz OKXKOAZYEOXNNM-XNJGSVPQSA-N 0 3 331.847 3.803 20 30 EHEDHN CC#CCCCC(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000190791583 1120650032 /nfs/dbraw/zinc/65/00/32/1120650032.db2.gz UCAFHRTYQAHRMO-UHFFFAOYSA-N 0 3 341.499 3.658 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000921932880 1128937394 /nfs/dbraw/zinc/93/73/94/1128937394.db2.gz SLWQJIQLRBOQAL-CMJOXMDJSA-N 0 3 326.465 3.763 20 30 EHEDHN CC(=O)N1CC[C@@H](NCc2c(C)cc(C#N)cc2C)c2ccccc21 ZINC000921937224 1128940449 /nfs/dbraw/zinc/94/04/49/1128940449.db2.gz YYJSZENHPWYIQV-HXUWFJFHSA-N 0 3 333.435 3.763 20 30 EHEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1cccc2ccccc21 ZINC000027208052 1120993581 /nfs/dbraw/zinc/99/35/81/1120993581.db2.gz ARKZTHHSECIKOG-HXUWFJFHSA-N 0 3 346.430 3.583 20 30 EHEDHN N#CC(C(=O)CCc1nc2ccccc2o1)c1nc2ccccc2[nH]1 ZINC000915098234 1121187007 /nfs/dbraw/zinc/18/70/07/1121187007.db2.gz NFSCAXPQUBVRFD-LBPRGKRZSA-N 0 3 330.347 3.513 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)CC1 ZINC000171717867 1121503632 /nfs/dbraw/zinc/50/36/32/1121503632.db2.gz RLAYXMVQCAFUSP-QGZVFWFLSA-N 0 3 344.499 3.652 20 30 EHEDHN C=CCN1CCC(NC(=O)CCCCCc2ccc(OC)cc2)CC1 ZINC000171715430 1121507594 /nfs/dbraw/zinc/50/75/94/1121507594.db2.gz QADVZCLLOMLFJD-UHFFFAOYSA-N 0 3 344.499 3.565 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(SC)ccc2Cl)CC1 ZINC000171730232 1121593431 /nfs/dbraw/zinc/59/34/31/1121593431.db2.gz ZSYHWVTXBVDGAT-UHFFFAOYSA-N 0 3 338.904 3.832 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2CC2(C#N)CCC2)C1 ZINC000497036726 1122252796 /nfs/dbraw/zinc/25/27/96/1122252796.db2.gz IEHCXZQEXXHBID-SJORKVTESA-N 0 3 347.503 3.792 20 30 EHEDHN CC[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000917103822 1122501313 /nfs/dbraw/zinc/50/13/13/1122501313.db2.gz RGDAUGBWUCKLTQ-KGLIPLIRSA-N 0 3 327.453 3.595 20 30 EHEDHN C=C(C)CN(C)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000497662096 1122624645 /nfs/dbraw/zinc/62/46/45/1122624645.db2.gz YYGHRYLKECLZHG-LJQANCHMSA-N 0 3 343.515 3.677 20 30 EHEDHN C#CCOc1ccc(F)cc1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000174868350 1122887515 /nfs/dbraw/zinc/88/75/15/1122887515.db2.gz ZZKKBLPPCOPVSX-UHFFFAOYSA-N 0 3 341.386 3.543 20 30 EHEDHN CC(C)(CCC(=O)C(C#N)C(=O)NCc1ccccc1)c1ccccc1 ZINC000155108640 1123175623 /nfs/dbraw/zinc/17/56/23/1123175623.db2.gz WIPGVIBFRLNCQX-IBGZPJMESA-N 0 3 348.446 3.770 20 30 EHEDHN CCCCSCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000920266951 1123351861 /nfs/dbraw/zinc/35/18/61/1123351861.db2.gz CBDYMMAHUBDUBN-CYBMUJFWSA-N 0 3 331.466 3.915 20 30 EHEDHN N#Cc1ccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000609627435 1123628602 /nfs/dbraw/zinc/62/86/02/1123628602.db2.gz UHLNHRJWGKGTRQ-ZDUSSCGKSA-N 0 3 336.351 3.553 20 30 EHEDHN N#Cc1cccc(OCCN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000064641302 1123693319 /nfs/dbraw/zinc/69/33/19/1123693319.db2.gz JRPATLIGRCZRDX-NRFANRHFSA-N 0 3 336.435 3.618 20 30 EHEDHN C[C@H]1c2ccc(F)cc2CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000610004013 1123711634 /nfs/dbraw/zinc/71/16/34/1123711634.db2.gz YUXDFCVCJUQLBY-AWEZNQCLSA-N 0 3 337.398 3.645 20 30 EHEDHN COc1ccc(C2(CNC[C@@H](C#N)CCC#N)CCCCC2)cc1 ZINC000067997058 1123800988 /nfs/dbraw/zinc/80/09/88/1123800988.db2.gz GUSUOZNDKHPBTJ-QGZVFWFLSA-N 0 3 325.456 3.930 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000179627442 1123805249 /nfs/dbraw/zinc/80/52/49/1123805249.db2.gz NNGKYALHYPSTIS-SFHVURJKSA-N 0 3 343.377 3.906 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245468422 1123842810 /nfs/dbraw/zinc/84/28/10/1123842810.db2.gz KSOJDXSTHRFENE-CKFHNAJUSA-N 0 3 347.890 3.572 20 30 EHEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccccc3F)C2)c(F)c1 ZINC000237831275 1123875768 /nfs/dbraw/zinc/87/57/68/1123875768.db2.gz FWAWDCMAINWPIE-INIZCTEOSA-N 0 3 327.378 3.595 20 30 EHEDHN N#CC(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1nc2ccccc2[nH]1 ZINC000734964056 1131296759 /nfs/dbraw/zinc/29/67/59/1131296759.db2.gz SAFSHKOEDSUPDZ-GRYCIOLGSA-N 0 3 337.329 3.821 20 30 EHEDHN C#CCCOc1ccc(CNCc2cn(C)nc2-c2ccccc2)cc1 ZINC000181825490 1125055159 /nfs/dbraw/zinc/05/51/59/1125055159.db2.gz WNKRFIIESLOEEC-UHFFFAOYSA-N 0 3 345.446 3.779 20 30 EHEDHN C=CCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618741662 1125178833 /nfs/dbraw/zinc/17/88/33/1125178833.db2.gz JLCHGOCKZKOEST-IBGZPJMESA-N 0 3 334.419 3.909 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(CN2CCCC2)c1 ZINC000618893229 1125234316 /nfs/dbraw/zinc/23/43/16/1125234316.db2.gz ZAYDJTAEMICDTJ-OAQYLSRUSA-N 0 3 345.446 3.571 20 30 EHEDHN N#CC1(c2ccccn2)CCN(C[C@H]2CCOc3ccccc32)CC1 ZINC000619726360 1125390397 /nfs/dbraw/zinc/39/03/97/1125390397.db2.gz VSTFZAWUBDTDAP-QGZVFWFLSA-N 0 3 333.435 3.505 20 30 EHEDHN C=CCCCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000735533608 1131356284 /nfs/dbraw/zinc/35/62/84/1131356284.db2.gz YVIIJLDJBXYDSD-LBPRGKRZSA-N 0 3 342.222 3.856 20 30 EHEDHN C[C@H]1c2ccccc2CCN1CCC(=O)Nc1sccc1C#N ZINC000170955833 1129451441 /nfs/dbraw/zinc/45/14/41/1129451441.db2.gz WVIHOQJCCTUWDN-ZDUSSCGKSA-N 0 3 325.437 3.568 20 30 EHEDHN CN(C)[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000555141929 1129555697 /nfs/dbraw/zinc/55/56/97/1129555697.db2.gz AIRIISMITPSWAV-QGZVFWFLSA-N 0 3 344.802 3.835 20 30 EHEDHN N#Cc1ccc2ncc(CN(CCc3cccc(F)c3)C3CC3)n2c1 ZINC000093438581 1129587860 /nfs/dbraw/zinc/58/78/60/1129587860.db2.gz HXMMECQYDUQCHV-UHFFFAOYSA-N 0 3 334.398 3.552 20 30 EHEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cnc2ccc(C#N)cn12 ZINC000093561708 1129594066 /nfs/dbraw/zinc/59/40/66/1129594066.db2.gz YXDXFCROIHQCOE-PBHICJAKSA-N 0 3 334.398 3.723 20 30 EHEDHN N#Cc1cc(F)c(NC[C@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000390661974 1129628246 /nfs/dbraw/zinc/62/82/46/1129628246.db2.gz OFENKQYEQWFKOG-MRXNPFEDSA-N 0 3 327.378 3.913 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3oc(=O)[nH]c3c2)s1 ZINC000347774030 1129725763 /nfs/dbraw/zinc/72/57/63/1129725763.db2.gz IASTXHIIPNZANE-JTQLQIEISA-N 0 3 341.392 3.777 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000126480295 1129749604 /nfs/dbraw/zinc/74/96/04/1129749604.db2.gz RGTUXJABFQLFKN-SFHVURJKSA-N 0 3 347.462 3.603 20 30 EHEDHN C=CC1CCN(Cc2cc(OC)c(OCC(F)F)c(OC)c2)CC1 ZINC000347823600 1129884309 /nfs/dbraw/zinc/88/43/09/1129884309.db2.gz VFUKOEHSBLLOSI-UHFFFAOYSA-N 0 3 341.398 3.746 20 30 EHEDHN COCCN(CC#Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000674249440 1130037548 /nfs/dbraw/zinc/03/75/48/1130037548.db2.gz UWVWRYXLUTVZMU-UHFFFAOYSA-N 0 3 325.374 3.948 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000674880511 1130215473 /nfs/dbraw/zinc/21/54/73/1130215473.db2.gz KKDLFZATUPZDNC-GOSISDBHSA-N 0 3 344.380 3.925 20 30 EHEDHN CCCn1nc(C)c(C(=O)C(C#N)c2ccc3ccccc3n2)c1C ZINC000675343268 1130317328 /nfs/dbraw/zinc/31/73/28/1130317328.db2.gz MAYWZHJMHXOUTK-MRXNPFEDSA-N 0 3 332.407 3.948 20 30 EHEDHN CCc1nc(CC(=O)C(C#N)c2nc3cc(F)ccc3s2)cs1 ZINC000730417526 1130707475 /nfs/dbraw/zinc/70/74/75/1130707475.db2.gz OEPMOEKXQCLDNB-NSHDSACASA-N 0 3 345.424 3.873 20 30 EHEDHN N#CC(C(=O)C[C@@H]1CCc2ccccc2C1)c1nc2ccccc2[nH]1 ZINC000732593532 1130937251 /nfs/dbraw/zinc/93/72/51/1130937251.db2.gz OJJRBAOXXYYAGT-RHSMWYFYSA-N 0 3 329.403 3.934 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC000739143253 1131493357 /nfs/dbraw/zinc/49/33/57/1131493357.db2.gz HXDLUQDIOJFGFN-WMZOPIPTSA-N 0 3 328.456 3.894 20 30 EHEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000739999927 1131515368 /nfs/dbraw/zinc/51/53/68/1131515368.db2.gz NBPGOKDWAPBOMF-CABCVRRESA-N 0 3 340.854 3.796 20 30 EHEDHN C#CCOc1ccccc1CNC[C@@H](C)Oc1ccccc1Cl ZINC000742379700 1131719015 /nfs/dbraw/zinc/71/90/15/1131719015.db2.gz ZZXPYWDSZJGBNE-OAHLLOKOSA-N 0 3 329.827 3.909 20 30 EHEDHN CCN(CCC#N)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172528198 1131755852 /nfs/dbraw/zinc/75/58/52/1131755852.db2.gz ONIFJIFOAMUJNH-SLFFLAALSA-N 0 3 339.483 3.553 20 30 EHEDHN C=CCOC1CCC(N2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC001173322748 1132045389 /nfs/dbraw/zinc/04/53/89/1132045389.db2.gz KSWTXEXEJZGPFE-UHFFFAOYSA-N 0 3 335.451 3.973 20 30 EHEDHN COc1ccc(-c2nc(CNC3CCC(CC#N)CC3)co2)cc1 ZINC001173331394 1132049432 /nfs/dbraw/zinc/04/94/32/1132049432.db2.gz CEFRMCVQCWKJOQ-UHFFFAOYSA-N 0 3 325.412 3.912 20 30 EHEDHN COC(=O)CCCC[C@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001173460660 1132083515 /nfs/dbraw/zinc/08/35/15/1132083515.db2.gz NRZIJLVEPJHCEV-INIZCTEOSA-N 0 3 346.446 3.805 20 30 EHEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 ZINC000181918098 1132179887 /nfs/dbraw/zinc/17/98/87/1132179887.db2.gz HAGVMAGFBZMHLQ-OAHLLOKOSA-N 0 3 336.826 3.623 20 30 EHEDHN C[C@](C#N)(Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1ccccc1Cl ZINC001169389348 1132745012 /nfs/dbraw/zinc/74/50/12/1132745012.db2.gz RJCSWKDPWMTXLL-QGZVFWFLSA-N 0 3 342.786 3.702 20 30 EHEDHN CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000767838301 1133059498 /nfs/dbraw/zinc/05/94/98/1133059498.db2.gz XKTFCEMVUQOMNR-GOSISDBHSA-N 0 3 349.475 3.667 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN(C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000769025836 1133215151 /nfs/dbraw/zinc/21/51/51/1133215151.db2.gz ZZPNIKMYBBHOHK-IERDGZPVSA-N 0 3 336.435 3.723 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H](F)c1ccccc1 ZINC000769282746 1133254019 /nfs/dbraw/zinc/25/40/19/1133254019.db2.gz PJJDOCJDJRQLOR-SWLSCSKDSA-N 0 3 330.746 3.698 20 30 EHEDHN C#CCOc1ccc(CN(C)[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000769402916 1133276849 /nfs/dbraw/zinc/27/68/49/1133276849.db2.gz AFSQJWCVXCTAMA-GOSISDBHSA-N 0 3 326.465 3.973 20 30 EHEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NCC#Cc1ccccc1 ZINC001181592233 1133503006 /nfs/dbraw/zinc/50/30/06/1133503006.db2.gz YRZJFYNUTNQBDK-ZIFCJYIRSA-N 0 3 342.483 3.662 20 30 EHEDHN C#C[C@H](N[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(Br)cc1 ZINC001182031156 1133564361 /nfs/dbraw/zinc/56/43/61/1133564361.db2.gz GLXDKDNEWGGQNZ-IKGGRYGDSA-N 0 3 336.273 3.917 20 30 EHEDHN CSC=CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000771583272 1133573969 /nfs/dbraw/zinc/57/39/69/1133573969.db2.gz SEOGBDXBBTXMOM-XRVBUDJMSA-N 0 3 329.208 3.517 20 30 EHEDHN CC[C@H](N[C@H]1CCN(c2ccc(C)cc2)C1=O)c1ccc(C#N)cc1 ZINC000774250395 1133643263 /nfs/dbraw/zinc/64/32/63/1133643263.db2.gz DQKFTERDPDFRIC-PMACEKPBSA-N 0 3 333.435 3.713 20 30 EHEDHN COc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1C#N ZINC000774269957 1133651713 /nfs/dbraw/zinc/65/17/13/1133651713.db2.gz MHHSMQLUKWTWMZ-GOSISDBHSA-N 0 3 337.379 3.642 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN(C)C2(C)CCCC2)cc1C ZINC000786221553 1133822330 /nfs/dbraw/zinc/82/23/30/1133822330.db2.gz VTAHDFRBUJDNII-UHFFFAOYSA-N 0 3 327.472 3.815 20 30 EHEDHN CCCCC[C@@H](CC)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787065662 1133944613 /nfs/dbraw/zinc/94/46/13/1133944613.db2.gz ABDGBJKHUMSDQE-QZTJIDSGSA-N 0 3 328.456 3.960 20 30 EHEDHN CCCCC[C@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787062041 1133952364 /nfs/dbraw/zinc/95/23/64/1133952364.db2.gz UTGNQAKDULBVSK-FUHWJXTLSA-N 0 3 328.456 3.960 20 30 EHEDHN CN(C)c1cccc(CCC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000788180896 1134087718 /nfs/dbraw/zinc/08/77/18/1134087718.db2.gz VUZOXXUXFJLDFI-INIZCTEOSA-N 0 3 333.391 3.703 20 30 EHEDHN C[C@@H]1C[C@H](C)[C@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000789449608 1134275866 /nfs/dbraw/zinc/27/58/66/1134275866.db2.gz IAIANINAKPHHBJ-CBBWQLFWSA-N 0 3 341.480 3.839 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000796738628 1134684105 /nfs/dbraw/zinc/68/41/05/1134684105.db2.gz LSTXPBLMGSQXOC-GRYCIOLGSA-N 0 3 335.329 3.728 20 30 EHEDHN CN(C)/C=N/c1ccc(NC2CC(C)(C)OC(C)(C)C2)cc1C#N ZINC001170361481 1134756709 /nfs/dbraw/zinc/75/67/09/1134756709.db2.gz NOKMQSGVTHMQRY-FYJGNVAPSA-N 0 3 328.460 3.928 20 30 EHEDHN CC(C)(C)OC(=O)N1CCCC[C@H](CN(CCC#N)CC2CC2)C1 ZINC001191368077 1134858283 /nfs/dbraw/zinc/85/82/83/1134858283.db2.gz XJZVNCDVOBDXNY-QGZVFWFLSA-N 0 3 335.492 3.649 20 30 EHEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(C#N)ccc2OC)C1(CC)CC ZINC001191820724 1134929256 /nfs/dbraw/zinc/92/92/56/1134929256.db2.gz HCTGPWOHNGSBAI-OALUTQOASA-N 0 3 330.472 3.982 20 30 EHEDHN CC[C@@H]1CC(NCC2(C#N)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170470761 1135214621 /nfs/dbraw/zinc/21/46/21/1135214621.db2.gz PJRQPHKUACZECG-HZPDHXFCSA-N 0 3 335.492 3.836 20 30 EHEDHN CC[C@@H]1C[C@@H](NCC2(C#N)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170470765 1135214674 /nfs/dbraw/zinc/21/46/74/1135214674.db2.gz PJRQPHKUACZECG-PHZGNYQRSA-N 0 3 335.492 3.836 20 30 EHEDHN C#CCC(C)(C)COC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805912294 1135348991 /nfs/dbraw/zinc/34/89/91/1135348991.db2.gz SWRZVXNCFQEQSU-UHFFFAOYSA-N 0 3 327.468 3.881 20 30 EHEDHN CC1(C(=O)OCC2(C#N)CCC2)CCN(Cc2ccccc2)CC1 ZINC000805920174 1135350637 /nfs/dbraw/zinc/35/06/37/1135350637.db2.gz OZTWLLHYUSFACX-UHFFFAOYSA-N 0 3 326.440 3.526 20 30 EHEDHN CC(C)Oc1ccc([C@@H](C/N=C\c2ccccc2O)N(C)C)cc1 ZINC000806551620 1135457054 /nfs/dbraw/zinc/45/70/54/1135457054.db2.gz WEMLFVZGGJEZTF-UOIFGXKSSA-N 0 3 326.440 3.901 20 30 EHEDHN N#Cc1ccc(CNC[C@@H](O)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000808426578 1135661072 /nfs/dbraw/zinc/66/10/72/1135661072.db2.gz PLUIJHBYQXXUTM-MRXNPFEDSA-N 0 3 338.304 3.539 20 30 EHEDHN N#Cc1cccc(NC(=S)Nc2ccccc2CN2CCCC2)c1 ZINC001197712244 1135728317 /nfs/dbraw/zinc/72/83/17/1135728317.db2.gz GRGGRRSYDDAUHB-UHFFFAOYSA-N 0 3 336.464 3.963 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](C3CC3)C2)cc1 ZINC000808778484 1135735260 /nfs/dbraw/zinc/73/52/60/1135735260.db2.gz YGZCUDAIYHYNHY-PKOBYXMFSA-N 0 3 339.483 3.752 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(OCc3ccccn3)cc2)cc1 ZINC000809608445 1135856723 /nfs/dbraw/zinc/85/67/23/1135856723.db2.gz SBUJPGWKEPYODQ-UHFFFAOYSA-N 0 3 328.415 3.932 20 30 EHEDHN C#Cc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC000809594834 1135859288 /nfs/dbraw/zinc/85/92/88/1135859288.db2.gz BEORHIPBJVFQHT-CRAIPNDOSA-N 0 3 328.456 3.546 20 30 EHEDHN C#C[C@@H](CC)NCc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000809686163 1135872163 /nfs/dbraw/zinc/87/21/63/1135872163.db2.gz WKRNBKKVMZNAKT-KRWDZBQOSA-N 0 3 325.456 3.815 20 30 EHEDHN C#C[C@H](NCc1c(C)nn(Cc2ccc(OC)cc2)c1C)C(C)(C)C ZINC000809782177 1135890780 /nfs/dbraw/zinc/89/07/80/1135890780.db2.gz JOTMZHVFXWYAGN-FQEVSTJZSA-N 0 3 339.483 3.694 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)cc2OC)CC1 ZINC000776078599 1135949955 /nfs/dbraw/zinc/94/99/55/1135949955.db2.gz UUIBFQIKQUXMOD-UHFFFAOYSA-N 0 3 337.851 3.511 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C1(CCF)CC1 ZINC000810530239 1135970568 /nfs/dbraw/zinc/97/05/68/1135970568.db2.gz YXGIIXCLHFFJLY-OAHLLOKOSA-N 0 3 330.403 3.599 20 30 EHEDHN Cc1c(C)n(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(N)c1C#N ZINC001201469833 1136024243 /nfs/dbraw/zinc/02/42/43/1136024243.db2.gz CFECFJHBCJJREZ-MSOLQXFVSA-N 0 3 332.451 3.837 20 30 EHEDHN C=CCOCc1nn(CC2CC2)c2c1CN(C[C@@H](C)CCC)CC2 ZINC001201541864 1136034539 /nfs/dbraw/zinc/03/45/39/1136034539.db2.gz HWDKDBOXUJONRB-INIZCTEOSA-N 0 3 331.504 3.790 20 30 EHEDHN CN1CCN(c2cc(Nc3sc4ccccc4c3C#N)ccn2)CC1 ZINC001201654159 1136051581 /nfs/dbraw/zinc/05/15/81/1136051581.db2.gz IJTIZEMKINKFBB-UHFFFAOYSA-N 0 3 349.463 3.663 20 30 EHEDHN N#C[C@@H](OC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000776386978 1136173297 /nfs/dbraw/zinc/17/32/97/1136173297.db2.gz XVHDAOYXXSPSDK-VQTJNVASSA-N 0 3 340.467 3.914 20 30 EHEDHN N#C[C@@H](OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000776386986 1136173323 /nfs/dbraw/zinc/17/33/23/1136173323.db2.gz XVHDAOYXXSPSDK-WOJBJXKFSA-N 0 3 340.467 3.914 20 30 EHEDHN C(=NOC[C@@H]1C[C@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000812303416 1136193098 /nfs/dbraw/zinc/19/30/98/1136193098.db2.gz AFGYJRDTMCLLFH-FPOVZHCZSA-N 0 3 336.435 3.677 20 30 EHEDHN C#C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000812793155 1136251467 /nfs/dbraw/zinc/25/14/67/1136251467.db2.gz NGKKKJVARHVYSD-OAQYLSRUSA-N 0 3 333.410 3.630 20 30 EHEDHN N#CCCCC(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000813059473 1136283777 /nfs/dbraw/zinc/28/37/77/1136283777.db2.gz ABFWJNJJRKBFCM-MRXNPFEDSA-N 0 3 347.374 3.820 20 30 EHEDHN CC(C)[C@H](O)[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000850557231 1136285419 /nfs/dbraw/zinc/28/54/19/1136285419.db2.gz VKWNXJSLJJQVGC-DQLDELGASA-N 0 3 338.451 3.998 20 30 EHEDHN CC(COC(=O)c1ccc(Sc2ccccc2C#N)cc1)[N+](=O)[O-] ZINC000813115271 1136294964 /nfs/dbraw/zinc/29/49/64/1136294964.db2.gz OCDVTLBCPGXOPP-LBPRGKRZSA-N 0 3 342.376 3.531 20 30 EHEDHN Cc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC2CCCCC2)cc1C ZINC000850757538 1136300852 /nfs/dbraw/zinc/30/08/52/1136300852.db2.gz LWCPZPOWITZYBF-OTWHNJEPSA-N 0 3 338.451 3.565 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000850978471 1136324817 /nfs/dbraw/zinc/32/48/17/1136324817.db2.gz SUVXPYYRBGNQGS-KZNAEPCWSA-N 0 3 338.451 3.570 20 30 EHEDHN C[C@@H](CC(C)(C)C#N)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000851205095 1136350679 /nfs/dbraw/zinc/35/06/79/1136350679.db2.gz WVXZMRDPSHZNCV-INIZCTEOSA-N 0 3 328.456 3.770 20 30 EHEDHN CC(C)(NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000852354752 1136451634 /nfs/dbraw/zinc/45/16/34/1136451634.db2.gz UBYLSSJRTAZXBC-UHFFFAOYSA-N 0 3 347.462 3.819 20 30 EHEDHN C=CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000852554903 1136465941 /nfs/dbraw/zinc/46/59/41/1136465941.db2.gz YIGRZOOZYJJTBP-CYBMUJFWSA-N 0 3 327.453 3.759 20 30 EHEDHN CCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)o1 ZINC000815909178 1136646938 /nfs/dbraw/zinc/64/69/38/1136646938.db2.gz SXJKHQAUFJNPAM-HNNXBMFYSA-N 0 3 347.374 3.660 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000113330951 1136697263 /nfs/dbraw/zinc/69/72/63/1136697263.db2.gz GTZPBRNRLBZBSD-UHFFFAOYSA-N 0 3 326.415 3.584 20 30 EHEDHN C=C(CC(C)C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC001135594194 1136723152 /nfs/dbraw/zinc/72/31/52/1136723152.db2.gz CLVXWQRSSGLECX-UHFFFAOYSA-N 0 3 329.488 3.678 20 30 EHEDHN CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000817325119 1136797495 /nfs/dbraw/zinc/79/74/95/1136797495.db2.gz XUIWRAXONBUZOW-FXAWDEMLSA-N 0 3 345.462 3.750 20 30 EHEDHN Cc1cccc(COCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000857028269 1136834542 /nfs/dbraw/zinc/83/45/42/1136834542.db2.gz BDBIMQIFKUMMIW-OAHLLOKOSA-N 0 3 348.324 3.802 20 30 EHEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N(c2ccc(C#N)cc2)C2CCC2)C1 ZINC000857676439 1136898513 /nfs/dbraw/zinc/89/85/13/1136898513.db2.gz OVVCDAVBNAFVSZ-FQEVSTJZSA-N 0 3 343.446 3.656 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCN(C3CCC3)C2=O)cc1 ZINC000858603894 1136982057 /nfs/dbraw/zinc/98/20/57/1136982057.db2.gz XPXDFJRJUSLHIQ-KBXCAEBGSA-N 0 3 348.874 3.622 20 30 EHEDHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1C#N ZINC000859119828 1137004015 /nfs/dbraw/zinc/00/40/15/1137004015.db2.gz HJLQRXUMHKGCLK-KRWDZBQOSA-N 0 3 343.471 3.556 20 30 EHEDHN Cc1ccc(CN2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc1C#N ZINC000859204401 1137007544 /nfs/dbraw/zinc/00/75/44/1137007544.db2.gz HIIPWOQTTJXPPD-DOTOQJQBSA-N 0 3 343.471 3.602 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)c1cc(C#N)ccc1F)c1ccsc1 ZINC000821918703 1137044451 /nfs/dbraw/zinc/04/44/51/1137044451.db2.gz VAQMXKPFCGELHU-QGZVFWFLSA-N 0 3 345.443 3.572 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC000860463649 1137061501 /nfs/dbraw/zinc/06/15/01/1137061501.db2.gz FJRWDVKSEWGZTC-RCCFBDPRSA-N 0 3 326.440 3.504 20 30 EHEDHN C[C@H]1C[C@H](CN(CCC#N)CC2CC2)CCN1C(=O)OC(C)(C)C ZINC000823437868 1137099510 /nfs/dbraw/zinc/09/95/10/1137099510.db2.gz QFOISNMIFNJELT-DOTOQJQBSA-N 0 3 335.492 3.648 20 30 EHEDHN CN(Cc1cc(Cl)ccc1OCC#N)C[C@@](C)(O)c1ccccc1 ZINC000823591376 1137105497 /nfs/dbraw/zinc/10/54/97/1137105497.db2.gz KEKYTBWBUWRJOP-LJQANCHMSA-N 0 3 344.842 3.582 20 30 EHEDHN N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(Cc2cnc[nH]2)C1 ZINC001136873440 1137137392 /nfs/dbraw/zinc/13/73/92/1137137392.db2.gz QGUXLYCALYZZEY-HXUWFJFHSA-N 0 3 342.446 3.741 20 30 EHEDHN COC(=O)C1(C#N)CCN(C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000824872342 1137156657 /nfs/dbraw/zinc/15/66/57/1137156657.db2.gz RBBWWYGPFOXJHA-SFHVURJKSA-N 0 3 328.456 3.595 20 30 EHEDHN O=C1C=C2CN(Cc3c(F)ccc(Cl)c3Cl)CCC2S1 ZINC001143855315 1137206527 /nfs/dbraw/zinc/20/65/27/1137206527.db2.gz SYHLYJFNWSXSDN-LBPRGKRZSA-N 0 3 332.227 3.907 20 30 EHEDHN N#CCOc1ccc(CNCc2ccccc2CC(F)(F)F)cc1 ZINC000865452474 1137285248 /nfs/dbraw/zinc/28/52/48/1137285248.db2.gz QMCNLHYOJPCOMU-UHFFFAOYSA-N 0 3 334.341 3.984 20 30 EHEDHN CC(C)COc1cccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000846006218 1137325449 /nfs/dbraw/zinc/32/54/49/1137325449.db2.gz HLFXCNRHHGBYEB-OAQYLSRUSA-N 0 3 338.451 3.758 20 30 EHEDHN CN(Cc1ccccc1CN[C@@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000846064218 1137332115 /nfs/dbraw/zinc/33/21/15/1137332115.db2.gz GEOIUCHZRFKYIS-MAUKXSAKSA-N 0 3 343.471 3.835 20 30 EHEDHN CCC[C@H]1CCCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000120989571 1137340386 /nfs/dbraw/zinc/34/03/86/1137340386.db2.gz UORLFUPWWKZPSR-DOTOQJQBSA-N 0 3 348.450 3.736 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001171230068 1137355770 /nfs/dbraw/zinc/35/57/70/1137355770.db2.gz SKKIKGYRROXPSN-SUMWQHHRSA-N 0 3 340.389 3.515 20 30 EHEDHN CCOc1ccc(N2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171230300 1137355959 /nfs/dbraw/zinc/35/59/59/1137355959.db2.gz CFZZXIOFPQCSOR-GOSISDBHSA-N 0 3 349.478 3.710 20 30 EHEDHN CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000839825102 1137398060 /nfs/dbraw/zinc/39/80/60/1137398060.db2.gz WPAOBBDLHBICHQ-KRWDZBQOSA-N 0 3 337.439 3.797 20 30 EHEDHN C=CCN1CCC(NC(=O)c2sc3ccc(OC)cc3c2C)CC1 ZINC000173578866 1137430009 /nfs/dbraw/zinc/43/00/09/1137430009.db2.gz JIMJPSGUKDEHRD-UHFFFAOYSA-N 0 3 344.480 3.599 20 30 EHEDHN COCc1cc([C@H](C)NCc2ccc(OC)c(C#N)c2)ccc1OC ZINC000773082273 1137464229 /nfs/dbraw/zinc/46/42/29/1137464229.db2.gz HGSWVSSJOGCXTD-AWEZNQCLSA-N 0 3 340.423 3.573 20 30 EHEDHN COc1cc2c(cc1OC)CN([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172305725 1137545388 /nfs/dbraw/zinc/54/53/88/1137545388.db2.gz FQRXRZTYHRVGIM-HNNXBMFYSA-N 0 3 336.435 3.565 20 30 EHEDHN COc1cc2c(cc1OC)CN([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172305728 1137545452 /nfs/dbraw/zinc/54/54/52/1137545452.db2.gz FQRXRZTYHRVGIM-OAHLLOKOSA-N 0 3 336.435 3.565 20 30 EHEDHN CC(C)(C)OC(=O)Nc1cc(F)cc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000872124639 1137572801 /nfs/dbraw/zinc/57/28/01/1137572801.db2.gz GEQZGFILESEOFI-DOMZBBRYSA-N 0 3 333.407 3.955 20 30 EHEDHN C#C[C@H]1CC[C@H](N[C@H](C)c2ncc(Br)cc2F)CC1 ZINC000872139556 1137573808 /nfs/dbraw/zinc/57/38/08/1137573808.db2.gz LYJVXYXRKCQZRU-NQBHXWOUSA-N 0 3 325.225 3.826 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000876618494 1137657234 /nfs/dbraw/zinc/65/72/34/1137657234.db2.gz WWLWSQXFNMUIKR-QZTJIDSGSA-N 0 3 328.843 3.973 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000876619063 1137657273 /nfs/dbraw/zinc/65/72/73/1137657273.db2.gz NNWAWNNDMUVLBW-BXUZGUMPSA-N 0 3 349.887 3.766 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000876644609 1137658027 /nfs/dbraw/zinc/65/80/27/1137658027.db2.gz BILMCFGJUHIOBN-JTQLQIEISA-N 0 3 341.889 3.897 20 30 EHEDHN CC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(OCC#N)cc1 ZINC001137122713 1137681867 /nfs/dbraw/zinc/68/18/67/1137681867.db2.gz OVSBFNYNEJFQHB-NRFANRHFSA-N 0 3 349.478 3.685 20 30 EHEDHN CC(C)Cn1cc([C@@H]2N(C[C@@H](C)CCC#N)CC23CCOCC3)cn1 ZINC000877632600 1137683568 /nfs/dbraw/zinc/68/35/68/1137683568.db2.gz GUPWWWNMBXXBLK-HKUYNNGSSA-N 0 3 344.503 3.632 20 30 EHEDHN Cc1ccc(CCCCC(=O)C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000126930076 1137704713 /nfs/dbraw/zinc/70/47/13/1137704713.db2.gz NPADPRGURMXFPT-FQEVSTJZSA-N 0 3 348.446 3.733 20 30 EHEDHN CC(C)(O)[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000879961158 1137763518 /nfs/dbraw/zinc/76/35/18/1137763518.db2.gz AAXKEQREUVYADV-INIZCTEOSA-N 0 3 325.374 3.540 20 30 EHEDHN CSc1ccc(CNC2CCN(c3ccccc3C#N)CC2)o1 ZINC000883193818 1137848167 /nfs/dbraw/zinc/84/81/67/1137848167.db2.gz GXMABWNEUPMKRJ-UHFFFAOYSA-N 0 3 327.453 3.632 20 30 EHEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000348248367 1137877271 /nfs/dbraw/zinc/87/72/71/1137877271.db2.gz UXQODQXCYLNSOD-MLGOLLRUSA-N 0 3 348.372 3.731 20 30 EHEDHN CCCCC[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1 ZINC000884115076 1137910332 /nfs/dbraw/zinc/91/03/32/1137910332.db2.gz ITITVIGQOBLORY-KYBDOYODSA-N 0 3 339.483 3.564 20 30 EHEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccccc1Nc1ccccc1)C2 ZINC000884305101 1137946302 /nfs/dbraw/zinc/94/63/02/1137946302.db2.gz LRYVQSBZVVNOPT-TZQQIIETSA-N 0 3 346.434 3.508 20 30 EHEDHN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@@H](O)CC2(C#N)CCC2)C2CC2)o1 ZINC000885930987 1138026142 /nfs/dbraw/zinc/02/61/42/1138026142.db2.gz NMYGEAIKUDRWDP-HFTRVMKXSA-N 0 3 328.456 3.812 20 30 EHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCN1CCCCC1 ZINC000066953943 1138078916 /nfs/dbraw/zinc/07/89/16/1138078916.db2.gz CQNQODUDWZOZFU-HNNXBMFYSA-N 0 3 346.500 3.688 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000264348704 1138483415 /nfs/dbraw/zinc/48/34/15/1138483415.db2.gz CKECYGRPRTWSAG-OAHLLOKOSA-N 0 3 333.451 3.569 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CC)[C@H](CC)c2ccccc2)CC1 ZINC000264375252 1138493735 /nfs/dbraw/zinc/49/37/35/1138493735.db2.gz SJGBBNBIRVJZCE-LJQANCHMSA-N 0 3 329.488 3.820 20 30 EHEDHN CN(C)[C@H](CNc1nc(C(F)(F)F)ccc1C#N)c1cccs1 ZINC000265186975 1138759221 /nfs/dbraw/zinc/75/92/21/1138759221.db2.gz KBPQCNCAHQTPHU-LLVKDONJSA-N 0 3 340.374 3.748 20 30 EHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3ccccn3)n2)cc1 ZINC000338183051 1138778418 /nfs/dbraw/zinc/77/84/18/1138778418.db2.gz VSJWWNLNDOMCRZ-CQSZACIVSA-N 0 3 334.404 3.759 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(-c3ncco3)c2)CC1 ZINC000152462308 1139092499 /nfs/dbraw/zinc/09/24/99/1139092499.db2.gz IBYLSEXAAXBJOC-UHFFFAOYSA-N 0 3 340.427 3.504 20 30 EHEDHN CC(C)NC(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000173916730 1139387678 /nfs/dbraw/zinc/38/76/78/1139387678.db2.gz SFQNATJXDWJCGL-OAHLLOKOSA-N 0 3 336.439 3.939 20 30 EHEDHN C[C@@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000173988451 1139391441 /nfs/dbraw/zinc/39/14/41/1139391441.db2.gz BNDRDJIYBINMIF-MRXNPFEDSA-N 0 3 333.435 3.926 20 30 EHEDHN N#Cc1ccc(CN[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000174395535 1139417849 /nfs/dbraw/zinc/41/78/49/1139417849.db2.gz LKFKOVYBAFOVFH-HNNXBMFYSA-N 0 3 349.356 3.534 20 30 EHEDHN CN(CC(=O)c1cn(CCC#N)c2ccccc12)C(C1CC1)C1CC1 ZINC000174836643 1139445305 /nfs/dbraw/zinc/44/53/05/1139445305.db2.gz VOGBVFNYVMNUNI-UHFFFAOYSA-N 0 3 335.451 3.858 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cc3ccccc3o2)CC1 ZINC000175474353 1139493609 /nfs/dbraw/zinc/49/36/09/1139493609.db2.gz ZYEVSRXTVRUQTB-UHFFFAOYSA-N 0 3 341.455 3.615 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN1CCCN(c2nccs2)CC1 ZINC000178519231 1139701525 /nfs/dbraw/zinc/70/15/25/1139701525.db2.gz ULOOUJXDRSBUKY-UHFFFAOYSA-N 0 3 340.496 3.657 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000186460264 1140205486 /nfs/dbraw/zinc/20/54/86/1140205486.db2.gz VOMSBDVZPCZJHH-HNNXBMFYSA-N 0 3 349.434 3.676 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268605422 1140961743 /nfs/dbraw/zinc/96/17/43/1140961743.db2.gz YDBHYRNLWOSTJI-IBGZPJMESA-N 0 3 348.450 3.605 20 30 EHEDHN CN(Cc1ccccc1C(F)(F)F)C[C@H](O)c1ccc(C#N)cc1 ZINC000268647431 1140967273 /nfs/dbraw/zinc/96/72/73/1140967273.db2.gz UYNXOXVQDACRQI-KRWDZBQOSA-N 0 3 334.341 3.742 20 30 EHEDHN COCc1cccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000269698182 1141136309 /nfs/dbraw/zinc/13/63/09/1141136309.db2.gz KYPQXXPRVMKWDX-UHFFFAOYSA-N 0 3 336.435 3.748 20 30 EHEDHN CCOC(=O)[C@H]1CC[C@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000283466224 1141632298 /nfs/dbraw/zinc/63/22/98/1141632298.db2.gz VWVNPGFOJSFBAL-PMACEKPBSA-N 0 3 334.419 3.830 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN([C@H](C)C2CC2)C2CC2)c1C ZINC000051881815 201127050 /nfs/dbraw/zinc/12/70/50/201127050.db2.gz HSXSTLVQZQTQFP-QGZVFWFLSA-N 0 3 339.483 3.813 20 30 EHEDHN C=C1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000735402500 598504474 /nfs/dbraw/zinc/50/44/74/598504474.db2.gz CRSVLRIYWDEOCM-UHFFFAOYSA-N 0 3 331.423 3.686 20 30 EHEDHN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000278701656 1032058707 /nfs/dbraw/zinc/05/87/07/1032058707.db2.gz LAVQYIDAWNSDHQ-INIZCTEOSA-N 0 3 325.368 3.716 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001573342338 947540966 /nfs/dbraw/zinc/54/09/66/947540966.db2.gz WPFPORZWWTWZEG-RBUKOAKNSA-N 0 3 349.413 3.550 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001573342338 947540979 /nfs/dbraw/zinc/54/09/79/947540979.db2.gz WPFPORZWWTWZEG-RBUKOAKNSA-N 0 3 349.413 3.550 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001573342338 947540992 /nfs/dbraw/zinc/54/09/92/947540992.db2.gz WPFPORZWWTWZEG-RBUKOAKNSA-N 0 3 349.413 3.550 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001573342338 947541001 /nfs/dbraw/zinc/54/10/01/947541001.db2.gz WPFPORZWWTWZEG-RBUKOAKNSA-N 0 3 349.413 3.550 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1OC ZINC000080454957 1032068419 /nfs/dbraw/zinc/06/84/19/1032068419.db2.gz NHQIVMFGNNMHNH-LBPRGKRZSA-N 0 3 330.409 3.774 20 30 EHEDHN N#Cc1ccc(CN(CCCn2ccnc2)Cc2cccc(F)c2)cc1 ZINC000183188414 1125468049 /nfs/dbraw/zinc/46/80/49/1125468049.db2.gz RMBYCSFHPTVDES-UHFFFAOYSA-N 0 3 348.425 3.986 20 30 EHEDHN CCN1CCN(Cc2ccc(NC3CCC(C)(C#N)CC3)cc2)CC1 ZINC000449039979 1032087420 /nfs/dbraw/zinc/08/74/20/1032087420.db2.gz FZQYHYXYIICYER-UHFFFAOYSA-N 0 3 340.515 3.708 20 30 EHEDHN CCC[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000577669974 1014453727 /nfs/dbraw/zinc/45/37/27/1014453727.db2.gz TUKDQYVAPYEQKL-INIZCTEOSA-N 0 3 326.362 3.704 20 30 EHEDHN CN(CCOc1ccc(C#N)cc1)Cc1ccc(OC(F)F)cc1 ZINC000042977622 1014873096 /nfs/dbraw/zinc/87/30/96/1014873096.db2.gz BCNJDLQHARCMBL-UHFFFAOYSA-N 0 3 332.350 3.670 20 30 EHEDHN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000343737130 1032108203 /nfs/dbraw/zinc/10/82/03/1032108203.db2.gz MDGDJPBNPZMVNG-OAHLLOKOSA-N 0 3 348.372 3.690 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000557274820 1015635755 /nfs/dbraw/zinc/63/57/55/1015635755.db2.gz ZNOJGHXARQRDSV-UHFFFAOYSA-N 0 3 349.906 3.915 20 30 EHEDHN N#Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000043329929 1016342114 /nfs/dbraw/zinc/34/21/14/1016342114.db2.gz NXGOGRYYKCYIDP-IBGZPJMESA-N 0 3 334.423 3.517 20 30 EHEDHN N#Cc1ccccc1Oc1ccccc1C(=O)NCCN1CCCCC1 ZINC000181366827 1016371259 /nfs/dbraw/zinc/37/12/59/1016371259.db2.gz DWTXVAVIOCTNCN-UHFFFAOYSA-N 0 3 349.434 3.566 20 30 EHEDHN C=CCCCC[C@H](C)[NH2+][C@H](c1nc(-c2nc[n-]n2)no1)C(C)(C)C ZINC000449198551 1032320696 /nfs/dbraw/zinc/32/06/96/1032320696.db2.gz CEJXMIQGOHRRSV-QWHCGFSZSA-N 0 3 332.452 3.666 20 30 EHEDHN C=CCCCC[C@H](C)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000449198551 1032320706 /nfs/dbraw/zinc/32/07/06/1032320706.db2.gz CEJXMIQGOHRRSV-QWHCGFSZSA-N 0 3 332.452 3.666 20 30 EHEDHN CC1/C(=C\c2cn(-c3ccccc3)nc2C(C)(C)C)C(=O)c2ncnn21 ZINC000905084615 1032334111 /nfs/dbraw/zinc/33/41/11/1032334111.db2.gz JGFBJNHQNWNADH-RKPNYOAGSA-N 0 3 347.422 3.602 20 30 EHEDHN CS(=O)(=O)c1cccc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000449338435 1032474760 /nfs/dbraw/zinc/47/47/60/1032474760.db2.gz GNMIFYUBBDBJNV-LJQANCHMSA-N 0 3 342.464 3.615 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c([O-])c1 ZINC000255064261 1017302253 /nfs/dbraw/zinc/30/22/53/1017302253.db2.gz QIBIYWSLSKLIPO-OBLCPMIXSA-N 0 3 328.456 3.615 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000537069026 1032506511 /nfs/dbraw/zinc/50/65/11/1032506511.db2.gz AUCYGEQAWUFJEJ-YLJYHZDGSA-N 0 3 347.478 3.947 20 30 EHEDHN N#Cc1c(F)cccc1CN[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000602015566 1032580964 /nfs/dbraw/zinc/58/09/64/1032580964.db2.gz MZFWLOWAWAVPBS-LPHOPBHVSA-N 0 3 328.362 3.846 20 30 EHEDHN CC(=O)c1ccc2c(c1)CCN(CCCOc1cccc(C#N)c1)CC2 ZINC000535971731 1017312101 /nfs/dbraw/zinc/31/21/01/1017312101.db2.gz MDGAHEIBDKDSDY-UHFFFAOYSA-N 0 3 348.446 3.631 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)N(C)CCO3)n1 ZINC000892803985 1017460364 /nfs/dbraw/zinc/46/03/64/1017460364.db2.gz YCKCRHUTKHHIAS-CYBMUJFWSA-N 0 3 341.436 3.585 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1(C#N)CCCCC1 ZINC000076388960 1018014019 /nfs/dbraw/zinc/01/40/19/1018014019.db2.gz FLWXWRGGAJRSGH-SFHVURJKSA-N 0 3 339.483 3.583 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001167332444 1018221403 /nfs/dbraw/zinc/22/14/03/1018221403.db2.gz MDTVEFVZDMGFHG-GOSISDBHSA-N 0 3 335.407 3.921 20 30 EHEDHN C[C@@H](NCc1ccc(OCc2nccn2C)cc1)c1cccc(C#N)c1 ZINC000610344789 1018348765 /nfs/dbraw/zinc/34/87/65/1018348765.db2.gz IFYOFTSKQLKPGQ-MRXNPFEDSA-N 0 3 346.434 3.722 20 30 EHEDHN C=CCOc1cccc(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000123852091 1018524504 /nfs/dbraw/zinc/52/45/04/1018524504.db2.gz HHNRMWDZLWRVJG-SFHVURJKSA-N 0 3 344.499 3.626 20 30 EHEDHN N#Cc1ccc(OCCN2CCC(OCC3CCCCC3)CC2)cc1 ZINC000610370013 1018541646 /nfs/dbraw/zinc/54/16/46/1018541646.db2.gz DSOZZSSAEPGSPL-UHFFFAOYSA-N 0 3 342.483 3.998 20 30 EHEDHN CC[C@H](N[C@@H](CC)c1ccc(C#N)cc1)C(=O)NCc1cccs1 ZINC000592397903 1032771279 /nfs/dbraw/zinc/77/12/79/1032771279.db2.gz UYCBUVCEJXBVHG-ROUUACIJSA-N 0 3 341.480 3.755 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1F ZINC000594020141 1032793001 /nfs/dbraw/zinc/79/30/01/1032793001.db2.gz YTZVQBLHLDDHMP-QGZVFWFLSA-N 0 3 325.387 3.767 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000614396777 1018962907 /nfs/dbraw/zinc/96/29/07/1018962907.db2.gz MNGBTHGRGNPXPL-UHFFFAOYSA-N 0 3 339.483 3.528 20 30 EHEDHN C[C@H](N[C@H]1CC(C)(C)CCc2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000580517177 1019537815 /nfs/dbraw/zinc/53/78/15/1019537815.db2.gz PEINPFLNYHADMT-YJBOKZPZSA-N 0 3 339.483 3.631 20 30 EHEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000182622829 1019716734 /nfs/dbraw/zinc/71/67/34/1019716734.db2.gz GUQDPIUFKPSXQR-CQSZACIVSA-N 0 3 333.391 3.984 20 30 EHEDHN CC(=O)Nc1ccccc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000897588595 1032858009 /nfs/dbraw/zinc/85/80/09/1032858009.db2.gz HRZYUUGWIAFSNA-UHFFFAOYSA-N 0 3 333.435 3.896 20 30 EHEDHN C[C@H](c1ccccc1)N(CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCC1 ZINC000077372372 1019920649 /nfs/dbraw/zinc/92/06/49/1019920649.db2.gz FRZMOUPCXADZFP-IERDGZPVSA-N 0 3 339.483 3.658 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)CCC#N ZINC000602433237 1032884988 /nfs/dbraw/zinc/88/49/88/1032884988.db2.gz MJWPJIKUIQXRPK-ZDUSSCGKSA-N 0 3 341.377 3.906 20 30 EHEDHN O=C1C=COC2(CCN(Cc3cccc(-c4cccnc4)c3)CC2)C1 ZINC000897601971 1032929827 /nfs/dbraw/zinc/92/98/27/1032929827.db2.gz DEIONDSHHHEMFP-UHFFFAOYSA-N 0 3 334.419 3.586 20 30 EHEDHN C[C@H](c1cccc2ccccc21)N1CCN(c2ncccc2C#N)CC1 ZINC000516295840 1021265187 /nfs/dbraw/zinc/26/51/87/1021265187.db2.gz AESSFCXURUABMS-QGZVFWFLSA-N 0 3 342.446 3.990 20 30 EHEDHN CC[C@@H]1CN(C)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000581764399 1021726548 /nfs/dbraw/zinc/72/65/48/1021726548.db2.gz KSLYHFRRXQIPPD-JOCHJYFZSA-N 0 3 347.506 3.912 20 30 EHEDHN N#Cc1ncccc1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519042110 1021797717 /nfs/dbraw/zinc/79/77/17/1021797717.db2.gz XBRDOFHOCHZNOO-HNNXBMFYSA-N 0 3 346.356 3.658 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000341451448 1021933463 /nfs/dbraw/zinc/93/34/63/1021933463.db2.gz HKAURWAVWHJACO-YJBOKZPZSA-N 0 3 347.478 3.901 20 30 EHEDHN COc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc(OC)c1OC ZINC000266435088 1022158757 /nfs/dbraw/zinc/15/87/57/1022158757.db2.gz FDQJJMFITXKOQV-UONOGXRCSA-N 0 3 340.423 3.996 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(O[C@H]3CC3(F)F)cc2)n1 ZINC000528906021 1033048949 /nfs/dbraw/zinc/04/89/49/1033048949.db2.gz CSDTZBROSFSXON-OLZOCXBDSA-N 0 3 334.347 3.728 20 30 EHEDHN O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccc(F)c(Cl)c1 ZINC000328908882 1022541694 /nfs/dbraw/zinc/54/16/94/1022541694.db2.gz MJZKZQCYOKXSEJ-XJKSGUPXSA-N 0 3 339.798 3.554 20 30 EHEDHN N#Cc1ccc(CN2CCCN(C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000506263748 1022750669 /nfs/dbraw/zinc/75/06/69/1022750669.db2.gz YEHAIHYLTJYIFM-IWQZZHSRSA-N 0 3 349.453 3.918 20 30 EHEDHN N#CC1(CNC(=O)c2cccc(CN3CCCCC3)c2)CCCCC1 ZINC000598316559 1033097185 /nfs/dbraw/zinc/09/71/85/1033097185.db2.gz UWYVUSVXYWDGHA-UHFFFAOYSA-N 0 3 339.483 3.876 20 30 EHEDHN C=CCCC(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000129957872 1023117114 /nfs/dbraw/zinc/11/71/14/1023117114.db2.gz SWILMMVJFVZVPE-SFHVURJKSA-N 0 3 338.455 3.543 20 30 EHEDHN C=C[C@H](CC(=O)N(CCN(C)C)Cc1ccsc1)c1ccccc1 ZINC000458223282 1023646111 /nfs/dbraw/zinc/64/61/11/1023646111.db2.gz MRMMDTMMJPVHIB-GOSISDBHSA-N 0 3 342.508 3.998 20 30 EHEDHN COc1cccc2c1nc(NC(=O)[C@H]1CCCN1C1CCCC1)n2C ZINC000329995522 1024278094 /nfs/dbraw/zinc/27/80/94/1024278094.db2.gz NHOMGFKQOGASSQ-OAHLLOKOSA-N 0 3 342.443 3.577 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@H](CC1CCCC1)c1ccccc1 ZINC000342198409 1024379712 /nfs/dbraw/zinc/37/97/12/1024379712.db2.gz VJVBJMPFLQZCNB-LJQANCHMSA-N 0 3 327.472 3.660 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000342224126 1024470445 /nfs/dbraw/zinc/47/04/45/1024470445.db2.gz CBNSZQVHMRCXQC-LJQANCHMSA-N 0 3 347.890 3.923 20 30 EHEDHN C=CCOc1ccc(CN2CCC3(CCCCO3)CC2)cc1OC ZINC000895658169 1024697534 /nfs/dbraw/zinc/69/75/34/1024697534.db2.gz IJMUVVSFKSTHHP-UHFFFAOYSA-N 0 3 331.456 3.795 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1OCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507850203 1024729642 /nfs/dbraw/zinc/72/96/42/1024729642.db2.gz WGJVSUADUACTJQ-UTKZUKDTSA-N 0 3 342.483 3.997 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(OC)c(OCC(=C)C)c2)CC1 ZINC000895835956 1024901569 /nfs/dbraw/zinc/90/15/69/1024901569.db2.gz RTFNMNBUMHLESJ-UHFFFAOYSA-N 0 3 331.456 3.553 20 30 EHEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1coc3ccc(F)cc13)C2 ZINC001141852974 1024959029 /nfs/dbraw/zinc/95/90/29/1024959029.db2.gz XZNOWNFRKXFDEY-PXNSSMCTSA-N 0 3 345.414 3.898 20 30 EHEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCOc1ccccc1C#N ZINC000157752536 1025105866 /nfs/dbraw/zinc/10/58/66/1025105866.db2.gz DMZVNCDTXDNTNW-AWEZNQCLSA-N 0 3 326.444 3.548 20 30 EHEDHN N#Cc1ccc2ncc(CN[C@H](c3ccc(F)cc3)C3CCC3)n2c1 ZINC000551547316 1025359041 /nfs/dbraw/zinc/35/90/41/1025359041.db2.gz KWJVKZIDJVOYCI-FQEVSTJZSA-N 0 3 334.398 3.976 20 30 EHEDHN Cc1cc(CN2CCCN(c3ccc(F)c(F)c3)CC2)ccc1C#N ZINC000551734293 1025432792 /nfs/dbraw/zinc/43/27/92/1025432792.db2.gz SAELSPMYXMXRRO-UHFFFAOYSA-N 0 3 341.405 3.857 20 30 EHEDHN N#C[C@@H]1CC[C@H](NCc2cccc(NC(=O)c3cccc(F)c3)c2)C1 ZINC000442722640 1025455675 /nfs/dbraw/zinc/45/56/75/1025455675.db2.gz XVJCBRAQPMGSRL-KDOFPFPSSA-N 0 3 337.398 3.860 20 30 EHEDHN C=CCCC1(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)CC1 ZINC000474780576 1025458292 /nfs/dbraw/zinc/45/82/92/1025458292.db2.gz MXRIZFPWARSPJY-LJQANCHMSA-N 0 3 326.484 3.686 20 30 EHEDHN COc1cc(CN2CCC[C@H]2c2cccc(N(C)C)c2)ccc1C#N ZINC000442881931 1025562172 /nfs/dbraw/zinc/56/21/72/1025562172.db2.gz BYHNEGHHMKLBKE-FQEVSTJZSA-N 0 3 335.451 3.970 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000329153585 1025630498 /nfs/dbraw/zinc/63/04/98/1025630498.db2.gz AFNSBOUBMBJERM-PHXBYCTMSA-N 0 3 330.472 3.889 20 30 EHEDHN C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329321436 1025752953 /nfs/dbraw/zinc/75/29/53/1025752953.db2.gz JDRLHYKGDOSJEQ-GJZGRUSLSA-N 0 3 335.492 3.909 20 30 EHEDHN Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(N2CCOCC2)c1 ZINC000540594090 1025788266 /nfs/dbraw/zinc/78/82/66/1025788266.db2.gz DPZUWVBRYIMAJQ-QGZVFWFLSA-N 0 3 335.451 3.554 20 30 EHEDHN C=CCSc1ccccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347289759 1025819591 /nfs/dbraw/zinc/81/95/91/1025819591.db2.gz MPBVUDVQTOKFFP-MRXNPFEDSA-N 0 3 330.497 3.711 20 30 EHEDHN C=C1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000522000662 1025866458 /nfs/dbraw/zinc/86/64/58/1025866458.db2.gz ATKSULPWMACKLU-SFHVURJKSA-N 0 3 326.484 3.508 20 30 EHEDHN C[C@@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(C#N)cc1F ZINC000611587628 1025919715 /nfs/dbraw/zinc/91/97/15/1025919715.db2.gz GUQTZZXUEOMXGQ-IUODEOHRSA-N 0 3 345.368 3.905 20 30 EHEDHN CC1(C)[C@H](NCc2cc(C#N)ccc2Br)[C@@H]2CCCO[C@@H]21 ZINC000451477780 1025991351 /nfs/dbraw/zinc/99/13/51/1025991351.db2.gz IUNHFQYKCAORCD-IMJJTQAJSA-N 0 3 349.272 3.614 20 30 EHEDHN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000192951020 1026653513 /nfs/dbraw/zinc/65/35/13/1026653513.db2.gz CWASKPREKIGFMU-HUUCEWRRSA-N 0 3 337.423 3.959 20 30 EHEDHN C=CCN1CCC(Nc2cncc(SCc3ccccc3)n2)CC1 ZINC000301809797 1026947968 /nfs/dbraw/zinc/94/79/68/1026947968.db2.gz GNUYBQRYQIKRKN-UHFFFAOYSA-N 0 3 340.496 3.831 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@H](O)COCc1ccccc1Cl ZINC000502502807 1028265230 /nfs/dbraw/zinc/26/52/30/1028265230.db2.gz RPBNGJSCEDZRLM-IBGZPJMESA-N 0 3 345.870 3.906 20 30 EHEDHN C=CC[C@H]1N(CC(=O)Nc2ccc(NC(C)=O)cc2)CCCC1(C)C ZINC000444788038 1028283266 /nfs/dbraw/zinc/28/32/66/1028283266.db2.gz ZUGHJNZEJPJMOP-GOSISDBHSA-N 0 3 343.471 3.650 20 30 EHEDHN C=CC[C@@H]1N(CC(=O)N[C@H]2CCOc3ccccc32)CCCC1(C)C ZINC000444788833 1028286841 /nfs/dbraw/zinc/28/68/41/1028286841.db2.gz YCZZEJVCKRVZDM-HKUYNNGSSA-N 0 3 342.483 3.693 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000424102683 1028786759 /nfs/dbraw/zinc/78/67/59/1028786759.db2.gz PGMQTIJVIREHPO-HOTGVXAUSA-N 0 3 347.871 3.628 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000424109965 1028804091 /nfs/dbraw/zinc/80/40/91/1028804091.db2.gz BOYNCYJWFBNYKC-GOSISDBHSA-N 0 3 329.444 3.605 20 30 EHEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)c2ccccc21 ZINC000424187629 1028875484 /nfs/dbraw/zinc/87/54/84/1028875484.db2.gz JPNRXDPAGGTCSZ-SJCJKPOMSA-N 0 3 329.831 3.692 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000454465520 1028935797 /nfs/dbraw/zinc/93/57/97/1028935797.db2.gz OWIKNOVXTRSPAY-MRXNPFEDSA-N 0 3 341.499 3.965 20 30 EHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000424336042 1028984345 /nfs/dbraw/zinc/98/43/45/1028984345.db2.gz XKYUGVVYAJILKM-NJZAAPMLSA-N 0 3 335.245 3.945 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@@H](CC)c1ccncc1 ZINC000245686228 1029005182 /nfs/dbraw/zinc/00/51/82/1029005182.db2.gz AIRYELFWNIOBQK-UXHICEINSA-N 0 3 340.467 3.633 20 30 EHEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000454535953 1029041458 /nfs/dbraw/zinc/04/14/58/1029041458.db2.gz FYMULWMHCFGGRC-UYAOXDASSA-N 0 3 341.499 3.520 20 30 EHEDHN C[C@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C(C)(C)C1 ZINC000347382263 1029422214 /nfs/dbraw/zinc/42/22/14/1029422214.db2.gz UUWIULCSBKTHBB-CQSZACIVSA-N 0 3 333.863 3.707 20 30 EHEDHN N#Cc1ccc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000237850442 1029454481 /nfs/dbraw/zinc/45/44/81/1029454481.db2.gz NARHTSPHFPNDFM-UHFFFAOYSA-N 0 3 334.419 3.889 20 30 EHEDHN N#Cc1ccc(NC(=O)CN[C@H](c2ccccc2)C2CC2)cc1Cl ZINC000192502178 1029715099 /nfs/dbraw/zinc/71/50/99/1029715099.db2.gz BXCQQKFRESZWNE-LJQANCHMSA-N 0 3 339.826 3.891 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000611938020 1029725703 /nfs/dbraw/zinc/72/57/03/1029725703.db2.gz FYBLZGJWVUNZQO-NRFANRHFSA-N 0 3 349.478 3.884 20 30 EHEDHN CC[C@H](C)N[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccco1 ZINC000343255289 1029938099 /nfs/dbraw/zinc/93/80/99/1029938099.db2.gz NZXPWSAGJQTRJY-BLLLJJGKSA-N 0 3 328.372 3.601 20 30 EHEDHN C=CCSCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000482197291 1030251589 /nfs/dbraw/zinc/25/15/89/1030251589.db2.gz HOKARXNFHIPUSY-UHFFFAOYSA-N 0 3 331.437 3.742 20 30 EHEDHN CC[C@@H](NCc1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000447531677 1030266761 /nfs/dbraw/zinc/26/67/61/1030266761.db2.gz SIFDAVFAMDLKAE-HXUWFJFHSA-N 0 3 333.435 3.926 20 30 EHEDHN C=CCc1cc(CN2CCC(OCC(C)C)CC2)cc(OC)c1O ZINC000092223105 1030407540 /nfs/dbraw/zinc/40/75/40/1030407540.db2.gz FTGQDZWOEQRYRI-UHFFFAOYSA-N 0 3 333.472 3.766 20 30 EHEDHN N#Cc1csc(CNCc2ccc(OCc3ccccn3)cc2)c1 ZINC000343370635 1030537496 /nfs/dbraw/zinc/53/74/96/1030537496.db2.gz SAFZIZWLXOGUTQ-UHFFFAOYSA-N 0 3 335.432 3.884 20 30 EHEDHN Cc1cccc2c1ncc(C#N)c2NC[C@@H](c1cccs1)N(C)C ZINC000610211447 1030845791 /nfs/dbraw/zinc/84/57/91/1030845791.db2.gz XUVNEZRIAIQGEE-INIZCTEOSA-N 0 3 336.464 3.613 20 30 EHEDHN CN1CC[C@H](NCc2ccccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000551352347 1031242002 /nfs/dbraw/zinc/24/20/02/1031242002.db2.gz XPQVFRVMSHOXAK-RBUKOAKNSA-N 0 3 325.843 3.747 20 30 EHEDHN COc1ccc([C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C2CC2)cn1 ZINC000528042103 1031626908 /nfs/dbraw/zinc/62/69/08/1031626908.db2.gz CZYQZUSXMCSDKD-CWTRNNRKSA-N 0 3 325.387 3.903 20 30 EHEDHN COc1cc(C)ccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000449007435 1032046974 /nfs/dbraw/zinc/04/69/74/1032046974.db2.gz DAOIEULMMFCRTN-UHFFFAOYSA-N 0 3 349.478 3.583 20 30 EHEDHN CC(C)Cc1ccc([C@H](CNC(=O)CCCCC#N)N(C)C)cc1 ZINC000594360706 1033313133 /nfs/dbraw/zinc/31/31/33/1033313133.db2.gz DLFGEFDYYAGLIW-IBGZPJMESA-N 0 3 329.488 3.688 20 30 EHEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(Br)cc1F ZINC000598617481 1033328415 /nfs/dbraw/zinc/32/84/15/1033328415.db2.gz SAACGRAZXWGICK-PWSUYJOCSA-N 0 3 343.240 3.540 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000594429582 1033365534 /nfs/dbraw/zinc/36/55/34/1033365534.db2.gz UKXQGBWRLVNLBZ-SFHVURJKSA-N 0 3 341.386 3.968 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000594432690 1033368747 /nfs/dbraw/zinc/36/87/47/1033368747.db2.gz GACCVFMLNZBDJB-RTWAWAEBSA-N 0 3 347.462 3.724 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000594431953 1033369175 /nfs/dbraw/zinc/36/91/75/1033369175.db2.gz TVSCBIOKEFAAFR-SFHVURJKSA-N 0 3 345.462 3.555 20 30 EHEDHN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594429157 1033369549 /nfs/dbraw/zinc/36/95/49/1033369549.db2.gz RDPGTNIBHCRCSY-WFASDCNBSA-N 0 3 341.377 3.636 20 30 EHEDHN COc1ccc([C@H]2CCCCCN2C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594427259 1033388942 /nfs/dbraw/zinc/38/89/42/1033388942.db2.gz IKCHESVGZUQYBM-RBUKOAKNSA-N 0 3 343.471 3.550 20 30 EHEDHN Cc1sc(NC(=O)[C@H](N)CCCCC#N)nc1-c1ccc(C)cc1 ZINC000594427817 1033389693 /nfs/dbraw/zinc/38/96/93/1033389693.db2.gz WQFKDWOASNAPGC-OAHLLOKOSA-N 0 3 342.468 3.777 20 30 EHEDHN COc1ccc([C@H]2CCCCCN2C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594427261 1033390058 /nfs/dbraw/zinc/39/00/58/1033390058.db2.gz IKCHESVGZUQYBM-RTBURBONSA-N 0 3 343.471 3.550 20 30 EHEDHN N#Cc1ccc(CN(C[C@@H](O)c2cccc(Cl)c2)C2CC2)cc1 ZINC000173582377 1033435484 /nfs/dbraw/zinc/43/54/84/1033435484.db2.gz GNKJPPZPALZRPS-LJQANCHMSA-N 0 3 326.827 3.910 20 30 EHEDHN N#C[C@@H]1CNC[C@@H]1OC(Cl)(Cl)c1ccc(Cl)cc1Cl ZINC001217831427 1033498686 /nfs/dbraw/zinc/49/86/86/1033498686.db2.gz JTMGAAMRJLMTIR-HQJQHLMTSA-N 0 3 340.037 3.709 20 30 EHEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc(NC(N)=O)cc1 ZINC000594923863 1033546309 /nfs/dbraw/zinc/54/63/09/1033546309.db2.gz JXEKAMRQNSTWEJ-AWEZNQCLSA-N 0 3 334.423 3.583 20 30 EHEDHN N#CC1(c2ccc(CNCc3ccccc3Cn3cccn3)cc2)CC1 ZINC000594921749 1033546946 /nfs/dbraw/zinc/54/69/46/1033546946.db2.gz TUKADBKNQXFLKO-UHFFFAOYSA-N 0 3 342.446 3.776 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CC2CCCCC2)C2CC2)CC1 ZINC000106340985 1033570059 /nfs/dbraw/zinc/57/00/59/1033570059.db2.gz GAMOLGQNWFRYGI-UHFFFAOYSA-N 0 3 333.520 3.781 20 30 EHEDHN Cc1cc(CNCc2ccc(C3(C#N)CC3)cc2)cc(N2CCCC2)n1 ZINC000594958700 1033598787 /nfs/dbraw/zinc/59/87/87/1033598787.db2.gz VEPDWHBPVFPKHI-UHFFFAOYSA-N 0 3 346.478 3.835 20 30 EHEDHN COc1cc(F)cc(CNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000594981116 1033617723 /nfs/dbraw/zinc/61/77/23/1033617723.db2.gz VBXAVTWSXVENJZ-UHFFFAOYSA-N 0 3 340.398 3.501 20 30 EHEDHN COCc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000594985030 1033619917 /nfs/dbraw/zinc/61/99/17/1033619917.db2.gz SNAGCOVUKBWNMR-UHFFFAOYSA-N 0 3 336.435 3.500 20 30 EHEDHN N#Cc1ccc(CNCc2cccc(COC[C@@H]3CCCO3)c2)cc1 ZINC000594997674 1033623442 /nfs/dbraw/zinc/62/34/42/1033623442.db2.gz AUQDDXLZASFBRX-NRFANRHFSA-N 0 3 336.435 3.544 20 30 EHEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000173959738 1033629335 /nfs/dbraw/zinc/62/93/35/1033629335.db2.gz BBFIISGFNFATKS-WMLDXEAASA-N 0 3 330.428 3.949 20 30 EHEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000173986415 1033664192 /nfs/dbraw/zinc/66/41/92/1033664192.db2.gz YSBBYVLVWDFUPG-WMLDXEAASA-N 0 3 330.428 3.949 20 30 EHEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000173986405 1033664438 /nfs/dbraw/zinc/66/44/38/1033664438.db2.gz YSBBYVLVWDFUPG-RHSMWYFYSA-N 0 3 330.428 3.949 20 30 EHEDHN N#Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1Cl ZINC000593003128 1033795985 /nfs/dbraw/zinc/79/59/85/1033795985.db2.gz STNAPWSEZYKQTB-VXGBXAGGSA-N 0 3 346.736 3.898 20 30 EHEDHN CCC(C#N)(CC)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000599222254 1033822055 /nfs/dbraw/zinc/82/20/55/1033822055.db2.gz UKFYYGFPBVHTPJ-GOSISDBHSA-N 0 3 327.472 3.578 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(N2CCCC2=O)cc1 ZINC000176956339 1033869784 /nfs/dbraw/zinc/86/97/84/1033869784.db2.gz JBWOXWUNPXLYHX-CYBMUJFWSA-N 0 3 325.437 3.597 20 30 EHEDHN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(C)c(C#N)c3)ccc2NC1=O ZINC000599356936 1033888058 /nfs/dbraw/zinc/88/80/58/1033888058.db2.gz PADHURGJRHBTHB-AUUYWEPGSA-N 0 3 349.434 3.827 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(C#N)o1)C1CCCCC1 ZINC000174378580 1033913421 /nfs/dbraw/zinc/91/34/21/1033913421.db2.gz UJGDSNJVSMKCAU-QGZVFWFLSA-N 0 3 347.459 3.714 20 30 EHEDHN COc1ccc(CN[C@H](C)c2ccc(-n3cccn3)cc2)cc1C#N ZINC000174436407 1033946153 /nfs/dbraw/zinc/94/61/53/1033946153.db2.gz YXLUMULUNWQSSJ-OAHLLOKOSA-N 0 3 332.407 3.603 20 30 EHEDHN CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000595718036 1033959747 /nfs/dbraw/zinc/95/97/47/1033959747.db2.gz LPLAWVIRRSLYNU-UHFFFAOYSA-N 0 3 334.485 3.954 20 30 EHEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599514334 1033976402 /nfs/dbraw/zinc/97/64/02/1033976402.db2.gz HJHNGRZMRJPUIB-OKILXGFUSA-N 0 3 344.409 3.682 20 30 EHEDHN Cc1cccc([C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C(C)C)c1 ZINC000599628136 1034050115 /nfs/dbraw/zinc/05/01/15/1034050115.db2.gz PKPLHDQIMDJAGY-YVWKXTFCSA-N 0 3 329.488 3.725 20 30 EHEDHN C=CCC1(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)CCCC1 ZINC000450348300 1034157458 /nfs/dbraw/zinc/15/74/58/1034157458.db2.gz KNOARPSWVAKRIR-UHFFFAOYSA-N 0 3 343.471 3.630 20 30 EHEDHN C=C(C)CN(CC)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604204365 1034267769 /nfs/dbraw/zinc/26/77/69/1034267769.db2.gz FRGXVIOIBAQVMY-IBGZPJMESA-N 0 3 329.488 3.821 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccnc(-c3ccccc3)c2)CC1 ZINC000534325329 1034400293 /nfs/dbraw/zinc/40/02/93/1034400293.db2.gz AVSBDIAKZBJSPM-UHFFFAOYSA-N 0 3 336.439 3.521 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccc(C)o1 ZINC000604776385 1034489946 /nfs/dbraw/zinc/48/99/46/1034489946.db2.gz YJPJPSSKEAYFSA-MOPGFXCFSA-N 0 3 341.451 3.893 20 30 EHEDHN CCOc1cc(C[NH2+]CCc2ccc(C#N)cc2)cc(Cl)c1[O-] ZINC000597179037 1034585365 /nfs/dbraw/zinc/58/53/65/1034585365.db2.gz RZIZAUBYDMHXNX-UHFFFAOYSA-N 0 3 330.815 3.648 20 30 EHEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)c1nc2ccccc2n1C(F)F ZINC000171797156 1034634618 /nfs/dbraw/zinc/63/46/18/1034634618.db2.gz VSWMTYDOOZFHNH-QWHCGFSZSA-N 0 3 347.365 3.957 20 30 EHEDHN C=CCCCN(C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000605740747 1034824219 /nfs/dbraw/zinc/82/42/19/1034824219.db2.gz WTLMLURQZHHDLO-UHFFFAOYSA-N 0 3 329.271 3.850 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000431725780 1035373611 /nfs/dbraw/zinc/37/36/11/1035373611.db2.gz OHRLXTULUZXITL-LPHOPBHVSA-N 0 3 348.450 3.824 20 30 EHEDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCOCc1ccc(C#N)cc1 ZINC000581907826 1035653298 /nfs/dbraw/zinc/65/32/98/1035653298.db2.gz HWKHFTBPCCZGHB-HNNXBMFYSA-N 0 3 339.395 3.676 20 30 EHEDHN Cc1nsc(NC2CCN([C@H](C)c3ccccc3)CC2)c1C#N ZINC000587979970 1035658382 /nfs/dbraw/zinc/65/83/82/1035658382.db2.gz WQEIKHCTTKPDGI-CQSZACIVSA-N 0 3 326.469 3.961 20 30 EHEDHN N#CC(C(=O)C=Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129630666 1035810769 /nfs/dbraw/zinc/81/07/69/1035810769.db2.gz SMZXDHJRTRKCGP-RNZFLTOJSA-N 0 3 349.173 3.947 20 30 EHEDHN C[C@@H]1CN(CCCCNc2nc(C(C)(C)C)ccc2C#N)C[C@@H](C)O1 ZINC000613427275 1035827099 /nfs/dbraw/zinc/82/70/99/1035827099.db2.gz YJEHRKRUBXVCIJ-HZPDHXFCSA-N 0 3 344.503 3.552 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)CCCCCC#N)N2CCCC2)cc1 ZINC000588330001 1035912612 /nfs/dbraw/zinc/91/26/12/1035912612.db2.gz CIWMNNROGHHNBU-IBGZPJMESA-N 0 3 327.472 3.722 20 30 EHEDHN Cc1nsc(Nc2cccc(N3CCN(C(C)C)CC3)c2)c1C#N ZINC000588823393 1036102471 /nfs/dbraw/zinc/10/24/71/1036102471.db2.gz VOGNENTZGYMTCS-UHFFFAOYSA-N 0 3 341.484 3.597 20 30 EHEDHN N#Cc1ccccc1N1CCCN(Cc2ccccc2OC2CC2)CC1 ZINC000589164954 1036270829 /nfs/dbraw/zinc/27/08/29/1036270829.db2.gz YSXQBLJADQVUNE-UHFFFAOYSA-N 0 3 347.462 3.812 20 30 EHEDHN CC(C)[C@H](NCc1ccccc1C(C)(C)C#N)[C@H](O)C(F)(F)F ZINC000589162650 1036288400 /nfs/dbraw/zinc/28/84/00/1036288400.db2.gz RJNSHVFUHHLSKT-GJZGRUSLSA-N 0 3 328.378 3.525 20 30 EHEDHN C=CCCC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000102342472 1036299649 /nfs/dbraw/zinc/29/96/49/1036299649.db2.gz WVXKACBELJLNMC-UHFFFAOYSA-N 0 3 328.378 3.562 20 30 EHEDHN C[C@H](c1ccccc1)[C@H](C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000541613634 1036498197 /nfs/dbraw/zinc/49/81/97/1036498197.db2.gz LDWNQEJTBBPFMA-GJZGRUSLSA-N 0 3 332.407 3.890 20 30 EHEDHN c1ccc([C@H]2CC(=NNC[C@H]3CCSC3)CCN2C2CC2)cc1 ZINC000841639128 1036580044 /nfs/dbraw/zinc/58/00/44/1036580044.db2.gz KTXGUTLBRLRKAR-DNVCBOLYSA-N 0 3 329.513 3.685 20 30 EHEDHN CC[C@@H](N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(C#N)cc1 ZINC000414313628 1036611757 /nfs/dbraw/zinc/61/17/57/1036611757.db2.gz KMEOAEMHNLTQPF-MOPGFXCFSA-N 0 3 337.398 3.544 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCC2(C1)CCCCCC2 ZINC000464769770 1036731255 /nfs/dbraw/zinc/73/12/55/1036731255.db2.gz JUARPGSKJALHKM-MJGOQNOKSA-N 0 3 333.520 3.866 20 30 EHEDHN CCCN(C(=O)CC1(C#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000590202965 1036794266 /nfs/dbraw/zinc/79/42/66/1036794266.db2.gz WKONIRJWXNUVLQ-LJQANCHMSA-N 0 3 339.483 3.583 20 30 EHEDHN CCCN(C)[C@H](CNC(=O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000590373093 1036856446 /nfs/dbraw/zinc/85/64/46/1036856446.db2.gz LNVWWIKIYHXRJN-MRXNPFEDSA-N 0 3 333.863 3.533 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000464897159 1036964754 /nfs/dbraw/zinc/96/47/54/1036964754.db2.gz SJLYYGVWQFJBKP-FHWLQOOXSA-N 0 3 339.483 3.671 20 30 EHEDHN C=CCC1(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CCCC1 ZINC000659046192 1036992694 /nfs/dbraw/zinc/99/26/94/1036992694.db2.gz ZIRSYYAKEZSTNC-GOSISDBHSA-N 0 3 343.471 3.606 20 30 EHEDHN C#C[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Cl)cc1 ZINC000491670998 1037613192 /nfs/dbraw/zinc/61/31/92/1037613192.db2.gz PTAHYOYWWOFNEG-SFHVURJKSA-N 0 3 342.826 3.502 20 30 EHEDHN C#C[C@@H](NC1CCC2(CC1)C(=O)Nc1ccccc12)c1ccc(F)cc1 ZINC000491755229 1037670606 /nfs/dbraw/zinc/67/06/06/1037670606.db2.gz ZBQMPDPQBRYTLD-IMYXXEESSA-N 0 3 348.421 3.922 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000532578994 1037691113 /nfs/dbraw/zinc/69/11/13/1037691113.db2.gz YDCSXGPHPLVCHW-MDZRGWNJSA-N 0 3 333.435 3.763 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000540325900 1037817833 /nfs/dbraw/zinc/81/78/33/1037817833.db2.gz IUZZJJIQCNEDQG-IAGOWNOFSA-N 0 3 330.472 3.714 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccccc3cc2OC)CC1 ZINC000592076543 1037830998 /nfs/dbraw/zinc/83/09/98/1037830998.db2.gz DNDPRVMQYQTVHY-UHFFFAOYSA-N 0 3 338.451 3.619 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000540375606 1037858982 /nfs/dbraw/zinc/85/89/82/1037858982.db2.gz ITFFXBVYCAYZGS-PXNSSMCTSA-N 0 3 329.488 3.808 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)CC1 ZINC000184181427 1038016092 /nfs/dbraw/zinc/01/60/92/1038016092.db2.gz FDCFUPWWAQVQLH-OXJNMPFZSA-N 0 3 341.499 3.650 20 30 EHEDHN CCOc1c(OC)cc(CN2CCC(CCC#N)CC2)cc1OC ZINC000592517231 1038017024 /nfs/dbraw/zinc/01/70/24/1038017024.db2.gz FATBRWTVRVUVSY-UHFFFAOYSA-N 0 3 332.444 3.618 20 30 EHEDHN C=C(CC)CN[C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463376160 1038097776 /nfs/dbraw/zinc/09/77/76/1038097776.db2.gz OVGLVUHCDLJBCY-ZDUSSCGKSA-N 0 3 342.277 3.827 20 30 EHEDHN Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(N2CCOCC2)c1 ZINC000540594088 1038126492 /nfs/dbraw/zinc/12/64/92/1038126492.db2.gz DPZUWVBRYIMAJQ-KRWDZBQOSA-N 0 3 335.451 3.554 20 30 EHEDHN COc1ccc(CN[C@@H](CCC#N)c2ccccc2)c(O)c1OC ZINC000893193927 1038392775 /nfs/dbraw/zinc/39/27/75/1038392775.db2.gz BMRFKXUOCSJVHH-INIZCTEOSA-N 0 3 326.396 3.544 20 30 EHEDHN CN(C)Cc1ccc(NC(=O)[C@]2(C#N)CC3CCC2CC3)c(F)c1 ZINC000910424473 1038904972 /nfs/dbraw/zinc/90/49/72/1038904972.db2.gz ONBFVBQTDXWTIB-XBMPDCEQSA-N 0 3 329.419 3.546 20 30 EHEDHN C=CCCC[C@@H](NC(=S)NC1CCN(C)CC1)c1ccccc1 ZINC000905540121 1038935669 /nfs/dbraw/zinc/93/56/69/1038935669.db2.gz VQEBNMOCZYALJG-GOSISDBHSA-N 0 3 331.529 3.642 20 30 EHEDHN C=CCC1(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)CCC1 ZINC000477886472 1038998934 /nfs/dbraw/zinc/99/89/34/1038998934.db2.gz JQIVTFAOJDCEIT-IBGZPJMESA-N 0 3 344.499 3.941 20 30 EHEDHN Cc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485410352 1039037665 /nfs/dbraw/zinc/03/76/65/1039037665.db2.gz JCFGTTPIIZFOTM-JXFKEZNVSA-N 0 3 333.435 3.713 20 30 EHEDHN CCc1nc2c(s1)[C@@H](N(C)CCOc1cccc(C#N)c1)CCC2 ZINC000478064804 1039198032 /nfs/dbraw/zinc/19/80/32/1039198032.db2.gz VDDNMTXGCRPQQU-KRWDZBQOSA-N 0 3 341.480 3.965 20 30 EHEDHN C[C@@H](c1cccc(Cl)c1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000051425824 1039253436 /nfs/dbraw/zinc/25/34/36/1039253436.db2.gz BLNLGQFASIEIME-KSSFIOAISA-N 0 3 344.842 3.644 20 30 EHEDHN C=C(C)COc1cc(CN2C[C@]3(C)COC[C@]3(C)C2)ccc1OC ZINC000668515440 1039254401 /nfs/dbraw/zinc/25/44/01/1039254401.db2.gz PWCZDNZXDTYVTF-BGYRXZFFSA-N 0 3 331.456 3.509 20 30 EHEDHN C=CCC[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2C)c1ccccc1 ZINC000893767449 1039704507 /nfs/dbraw/zinc/70/45/07/1039704507.db2.gz IAMSPTJHJXXGLZ-IPMKNSEASA-N 0 3 327.472 3.572 20 30 EHEDHN CC(C)(CNC(=O)Nc1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000043329360 1039756306 /nfs/dbraw/zinc/75/63/06/1039756306.db2.gz WYNXEIXNQNBTTP-UHFFFAOYSA-N 0 3 348.450 3.517 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906908966 1039805632 /nfs/dbraw/zinc/80/56/32/1039805632.db2.gz DFGQNIJFZOBQOG-MKJPBZQASA-N 0 3 325.456 3.715 20 30 EHEDHN CC(C)N(CCC#N)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000893960670 1039862723 /nfs/dbraw/zinc/86/27/23/1039862723.db2.gz ZBQGRTGIIOZAEX-ALOPSCKCSA-N 0 3 335.492 3.789 20 30 EHEDHN C[C@@H](NCCc1nc2cc(F)ccc2n1C)c1ccc(C#N)cc1F ZINC000512625862 1040320078 /nfs/dbraw/zinc/32/00/78/1040320078.db2.gz QRSPTARXIOOAEF-GFCCVEGCSA-N 0 3 340.377 3.616 20 30 EHEDHN COc1ccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000433008168 1040434273 /nfs/dbraw/zinc/43/42/73/1040434273.db2.gz CEJKSAOYCNCRTL-LJQANCHMSA-N 0 3 337.423 3.658 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000433029398 1040498532 /nfs/dbraw/zinc/49/85/32/1040498532.db2.gz GKHVHAHZRSMXEY-GOSISDBHSA-N 0 3 343.377 3.928 20 30 EHEDHN C=C(CNC(=O)N(CCC)CCN1CCCCC1)c1ccccc1 ZINC000512680386 1040500523 /nfs/dbraw/zinc/50/05/23/1040500523.db2.gz ALZGJXJLIYCIAM-UHFFFAOYSA-N 0 3 329.488 3.607 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cccc(C(F)F)c2Cl)CC1 ZINC000490934390 1040831417 /nfs/dbraw/zinc/83/14/17/1040831417.db2.gz HQVARQKCUPBMHV-UHFFFAOYSA-N 0 3 326.774 3.561 20 30 EHEDHN CC(=O)CCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000123604270 1040879396 /nfs/dbraw/zinc/87/93/96/1040879396.db2.gz LPBWRVIPYKNXON-QGZVFWFLSA-N 0 3 328.412 3.572 20 30 EHEDHN CCOc1ccc(O)c(/C=N\C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000054893289 1041063299 /nfs/dbraw/zinc/06/32/99/1041063299.db2.gz ZAUSZSQHQCEFEC-UZQMFHLOSA-N 0 3 330.403 3.652 20 30 EHEDHN CCC[C@@H]1CCC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC001125943357 1041245006 /nfs/dbraw/zinc/24/50/06/1041245006.db2.gz YPLJSILWIDQSFV-UXHICEINSA-N 0 3 341.499 3.665 20 30 EHEDHN Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1F ZINC000433321599 1041277925 /nfs/dbraw/zinc/27/79/25/1041277925.db2.gz YHSPVBRIYZRHRR-UHFFFAOYSA-N 0 3 349.413 3.596 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000110107864 1041500861 /nfs/dbraw/zinc/50/08/61/1041500861.db2.gz LFMSOXZYGWQQEV-UHFFFAOYSA-N 0 3 334.419 3.725 20 30 EHEDHN N#CC(C(=O)C=Cc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000003188956 1041623756 /nfs/dbraw/zinc/62/37/56/1041623756.db2.gz XEWJNWAKPKEGAM-VSGCLNPGSA-N 0 3 340.814 3.548 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2cc3cc(C)ccc3o2)CC1 ZINC000660598512 1041713381 /nfs/dbraw/zinc/71/33/81/1041713381.db2.gz ZVQAIUNTCIVFCG-UHFFFAOYSA-N 0 3 341.455 3.581 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC3(CCCC3)[C@H]2c2ccco2)CC1 ZINC000660708127 1041786982 /nfs/dbraw/zinc/78/69/82/1041786982.db2.gz VOKJUQVTQLORQI-GOSISDBHSA-N 0 3 343.471 3.557 20 30 EHEDHN N#Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000045027182 1042024498 /nfs/dbraw/zinc/02/44/98/1042024498.db2.gz SUFOHSJNHCPWQB-LJQANCHMSA-N 0 3 334.423 3.517 20 30 EHEDHN C[C@@H](C1CC1)N(CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000024673023 1042218956 /nfs/dbraw/zinc/21/89/56/1042218956.db2.gz PJLOXCHXUYJQQX-INIZCTEOSA-N 0 3 333.435 3.797 20 30 EHEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000343905776 1042782550 /nfs/dbraw/zinc/78/25/50/1042782550.db2.gz KTNNZHIZAHTWMP-DLBZAZTESA-N 0 3 345.462 3.973 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccnc(OC(F)F)c1 ZINC000585765682 1043029664 /nfs/dbraw/zinc/02/96/64/1043029664.db2.gz QZOUVHRDYVQHAG-INIZCTEOSA-N 0 3 329.350 3.722 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C3CC3)C2)c1 ZINC000344041400 1043144385 /nfs/dbraw/zinc/14/43/85/1043144385.db2.gz AGGMSAQLEZJMIF-PKOBYXMFSA-N 0 3 339.483 3.671 20 30 EHEDHN C#Cc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000279118958 1043382511 /nfs/dbraw/zinc/38/25/11/1043382511.db2.gz XBVJXLWKJUEZAH-UHFFFAOYSA-N 0 3 333.357 3.720 20 30 EHEDHN N#CCCCNCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000344301413 1043626526 /nfs/dbraw/zinc/62/65/26/1043626526.db2.gz KHIXZSQKOISFBZ-UHFFFAOYSA-N 0 3 327.815 3.986 20 30 EHEDHN N#CC1(CCCN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000337192587 1044096641 /nfs/dbraw/zinc/09/66/41/1044096641.db2.gz UTFBEXSJYXLNEF-UHFFFAOYSA-N 0 3 343.427 3.660 20 30 EHEDHN N#Cc1ccc(OCCNCc2csc(Br)c2)cc1 ZINC000344607738 1044190569 /nfs/dbraw/zinc/19/05/69/1044190569.db2.gz OTEHMHKFEPBLLY-UHFFFAOYSA-N 0 3 337.242 3.551 20 30 EHEDHN C=CCOc1c(Br)cc(CN(C)C2CC2)cc1OC ZINC000153775554 1125658618 /nfs/dbraw/zinc/65/86/18/1125658618.db2.gz HJYGYOUMGKSLFX-UHFFFAOYSA-N 0 3 326.234 3.617 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000180286772 1127140820 /nfs/dbraw/zinc/14/08/20/1127140820.db2.gz FELNJMGJJDLELY-WOJBJXKFSA-N 0 3 345.462 3.701 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)nc21 ZINC000763987682 1127206433 /nfs/dbraw/zinc/20/64/33/1127206433.db2.gz NYJJGYGROMCBHE-DOMZBBRYSA-N 0 3 348.362 3.760 20 30 EHEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000623996648 1127228865 /nfs/dbraw/zinc/22/88/65/1127228865.db2.gz NEDTULIKFBWFMJ-ZJUUUORDSA-N 0 3 334.204 3.705 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc(CN2CCCC2=O)c1 ZINC000921524512 1127623522 /nfs/dbraw/zinc/62/35/22/1127623522.db2.gz OLNLMGKCKGZWJF-UHFFFAOYSA-N 0 3 347.462 3.587 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(N2CCCCC2)nc1 ZINC000921537433 1127683914 /nfs/dbraw/zinc/68/39/14/1127683914.db2.gz CBACTJIEWGBJIP-UHFFFAOYSA-N 0 3 334.467 3.850 20 30 EHEDHN CCN1CCN(c2ccc(NCc3csc(C#N)c3)c(C)c2)CC1 ZINC000921562050 1127752622 /nfs/dbraw/zinc/75/26/22/1127752622.db2.gz IQKFTQGOMQNEFC-UHFFFAOYSA-N 0 3 340.496 3.682 20 30 EHEDHN COc1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)ccc1C#N ZINC000282167536 1128020734 /nfs/dbraw/zinc/02/07/34/1128020734.db2.gz DTRJZDILODPFLG-UHFFFAOYSA-N 0 3 346.434 3.823 20 30 EHEDHN Cc1ccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000616177087 1128458245 /nfs/dbraw/zinc/45/82/45/1128458245.db2.gz LKHVAMFDRJHSFB-HNNXBMFYSA-N 0 3 334.404 3.759 20 30 EHEDHN COc1cccc([C@@H](CNc2nc(C)c(C#N)cc2Cl)N(C)C)c1 ZINC000326912357 1128515315 /nfs/dbraw/zinc/51/53/15/1128515315.db2.gz ORVYITKUNVYKCF-QGZVFWFLSA-N 0 3 344.846 3.639 20 30 EHEDHN Cc1cc(C)c(C#N)c(NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC000302222169 1128627306 /nfs/dbraw/zinc/62/73/06/1128627306.db2.gz NMDKOFZQHNAVMU-INIZCTEOSA-N 0 3 326.469 3.881 20 30 EHEDHN Cc1nc2c(s1)[C@@H](N(C)CCOc1cccc(C#N)c1)CCC2 ZINC000111312000 1128859401 /nfs/dbraw/zinc/85/94/01/1128859401.db2.gz GCOJNWQULHIDEY-KRWDZBQOSA-N 0 3 327.453 3.711 20 30 EHEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000581431952 1120207019 /nfs/dbraw/zinc/20/70/19/1120207019.db2.gz CSUATWVRLFDSER-MRXNPFEDSA-N 0 3 339.370 3.670 20 30 EHEDHN C=C(C)[C@@H](NC(=O)N(CCN(C)C)C(C)C)c1ccc(F)c(F)c1 ZINC000185844268 1120431838 /nfs/dbraw/zinc/43/18/38/1120431838.db2.gz XUVAJBYCQFTIOQ-QGZVFWFLSA-N 0 3 339.430 3.564 20 30 EHEDHN C=CCCOCCN[C@@H]1CCCOc2cc(Br)ccc21 ZINC000222443850 1120589598 /nfs/dbraw/zinc/58/95/98/1120589598.db2.gz PEDXOEANRJGFJQ-OAHLLOKOSA-N 0 3 340.261 3.845 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2c(F)cccc2F)c1 ZINC000153288482 1120937181 /nfs/dbraw/zinc/93/71/81/1120937181.db2.gz VSMQFWKQPPAOKI-GXTWGEPZSA-N 0 3 342.345 3.724 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2c(F)cccc2F)c1 ZINC000153288394 1120937303 /nfs/dbraw/zinc/93/73/03/1120937303.db2.gz VSMQFWKQPPAOKI-JSGCOSHPSA-N 0 3 342.345 3.724 20 30 EHEDHN C=CCc1cc(CN(CC=C)CCc2ccco2)cc(OC)c1O ZINC000495201951 1120989050 /nfs/dbraw/zinc/98/90/50/1120989050.db2.gz PJGKOKSAFZXQTP-UHFFFAOYSA-N 0 3 327.424 3.953 20 30 EHEDHN C[C@H](CC(=O)Nc1cccc(F)c1)NC1(c2cccc(C#N)c2)CC1 ZINC000272294135 1121512991 /nfs/dbraw/zinc/51/29/91/1121512991.db2.gz QHXKANGYAXDLRE-CQSZACIVSA-N 0 3 337.398 3.693 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000171738362 1121661293 /nfs/dbraw/zinc/66/12/93/1121661293.db2.gz UGYMSGDXHVSQGN-UHFFFAOYSA-N 0 3 347.890 3.664 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCc2nc(C)c(C)s2)c([O-])c1 ZINC000763095766 1121680332 /nfs/dbraw/zinc/68/03/32/1121680332.db2.gz GARPXYOVIVDZHU-UNOMPAQXSA-N 0 3 331.485 3.973 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N[C@H](Cc1ccccc1)c1sccc1C ZINC000122767797 1121725218 /nfs/dbraw/zinc/72/52/18/1121725218.db2.gz JWKLQBPXECZYQG-NVXWUHKLSA-N 0 3 328.481 3.621 20 30 EHEDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000496376873 1122064474 /nfs/dbraw/zinc/06/44/74/1122064474.db2.gz JNIYYWJMOLZPIB-AWEZNQCLSA-N 0 3 349.500 3.747 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1ccc(F)c(F)c1 ZINC000916910089 1122392677 /nfs/dbraw/zinc/39/26/77/1122392677.db2.gz QALVQNZBDHSRLU-SNVBAGLBSA-N 0 3 334.709 3.579 20 30 EHEDHN CC(C)SCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916929850 1122395146 /nfs/dbraw/zinc/39/51/46/1122395146.db2.gz BXLDGDGCVBVZJH-SNVBAGLBSA-N 0 3 345.251 3.782 20 30 EHEDHN CCCCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100452 1122499313 /nfs/dbraw/zinc/49/93/13/1122499313.db2.gz OGNHVLIATCHMRT-CQSZACIVSA-N 0 3 327.453 3.737 20 30 EHEDHN Cc1cc2occ(CC(=O)C(C#N)C(=O)NC(C)C)c2cc1C(C)C ZINC000130601508 1122868182 /nfs/dbraw/zinc/86/81/82/1122868182.db2.gz XAQSSSFIPFBSAS-QGZVFWFLSA-N 0 3 340.423 3.641 20 30 EHEDHN Cc1ccc(NC(=O)/C=C/c2ccc(OCC#N)cc2)c(CN(C)C)c1 ZINC000072840834 1123166814 /nfs/dbraw/zinc/16/68/14/1123166814.db2.gz XWHQDYSKRRDREL-YRNVUSSQSA-N 0 3 349.434 3.611 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccc(CCC)cc2)C(C)C)CC1 ZINC000920253998 1123343923 /nfs/dbraw/zinc/34/39/23/1123343923.db2.gz DUSQNWAMZBISSL-OAQYLSRUSA-N 0 3 340.511 3.798 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cncc(-c3cccc(C)c3)c2)CC1 ZINC000133379861 1123390286 /nfs/dbraw/zinc/39/02/86/1123390286.db2.gz WFHXOHRZMBCIOV-UHFFFAOYSA-N 0 3 349.478 3.827 20 30 EHEDHN N#CC(C(=O)Nc1cccc(F)c1)c1nc2cc(F)ccc2s1 ZINC000609627541 1123628155 /nfs/dbraw/zinc/62/81/55/1123628155.db2.gz CBWQVFIJJFZMSU-LBPRGKRZSA-N 0 3 329.331 3.820 20 30 EHEDHN N#Cc1cccc(NC[C@@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000609893606 1123688469 /nfs/dbraw/zinc/68/84/69/1123688469.db2.gz ZXYDVHPXJYKHBH-KRWDZBQOSA-N 0 3 326.831 3.856 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000179636365 1123815188 /nfs/dbraw/zinc/81/51/88/1123815188.db2.gz GUGADGUWLDEVDS-GOSISDBHSA-N 0 3 343.377 3.906 20 30 EHEDHN CCCCC[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000181744421 1125027841 /nfs/dbraw/zinc/02/78/41/1125027841.db2.gz KKNHNWBDUQEAQA-AZUAARDMSA-N 0 3 327.472 3.706 20 30 EHEDHN CC(C)[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000735311210 1131334409 /nfs/dbraw/zinc/33/44/09/1131334409.db2.gz BSVBXXCGUDHBLN-ZBFHGGJFSA-N 0 3 341.480 3.983 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000618742611 1125179690 /nfs/dbraw/zinc/17/96/90/1125179690.db2.gz ZXIARKVJEXPKKY-RBBKRZOGSA-N 0 3 348.446 3.893 20 30 EHEDHN C[C@H]1c2ccsc2CCN1CCC(=O)Nc1ccccc1C#N ZINC000198391979 1125441828 /nfs/dbraw/zinc/44/18/28/1125441828.db2.gz GBMSDYLQJQUIJH-ZDUSSCGKSA-N 0 3 325.437 3.568 20 30 EHEDHN N#Cc1ccc(CN(CCOc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000543177722 1129312070 /nfs/dbraw/zinc/31/20/70/1129312070.db2.gz JUNCBJAYLXNAQU-UHFFFAOYSA-N 0 3 337.379 3.510 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2csc(C#N)c2)C12CCC2 ZINC000922288618 1129440312 /nfs/dbraw/zinc/44/03/12/1129440312.db2.gz VHAKHRBXVVPCCT-OAHLLOKOSA-N 0 3 347.484 3.641 20 30 EHEDHN C=CCCC[C@H](NCc1c2c(nn1C)CCOC2)c1ccccc1 ZINC000922334796 1129476878 /nfs/dbraw/zinc/47/68/78/1129476878.db2.gz LJTMOYZFCGRXJW-SFHVURJKSA-N 0 3 325.456 3.680 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000156558623 1129724310 /nfs/dbraw/zinc/72/43/10/1129724310.db2.gz IQIHQOIOPURSCW-SJORKVTESA-N 0 3 342.464 3.716 20 30 EHEDHN C#CCN(Cc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCc2ccccc21 ZINC000186753360 1129792307 /nfs/dbraw/zinc/79/23/07/1129792307.db2.gz RPIGZDBDMYLIDM-QFIPXVFZSA-N 0 3 344.458 3.718 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccccc1F ZINC000731411374 1130796213 /nfs/dbraw/zinc/79/62/13/1130796213.db2.gz XFBDRVCPGWOABA-DGCLKSJQSA-N 0 3 344.773 3.930 20 30 EHEDHN CC1(C)CCc2cc(CNCc3ccc(OCC#N)cc3)ccc2O1 ZINC000731678768 1130831980 /nfs/dbraw/zinc/83/19/80/1130831980.db2.gz PIDMQASIDZZELG-UHFFFAOYSA-N 0 3 336.435 3.982 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)CC1 ZINC000176159111 1130906811 /nfs/dbraw/zinc/90/68/11/1130906811.db2.gz JXLSRJXBMMFGSA-SFHVURJKSA-N 0 3 347.478 3.863 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2OCCc3ccccc32)c([O-])c1 ZINC000733080910 1130989227 /nfs/dbraw/zinc/98/92/27/1130989227.db2.gz GAXGCTMUEPRESW-PIUNUONSSA-N 0 3 338.451 3.971 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000733678634 1131066804 /nfs/dbraw/zinc/06/68/04/1131066804.db2.gz FOADDTGXNPWSBS-IGCXYCKISA-N 0 3 348.830 3.583 20 30 EHEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCC1CCC(C#N)CC1 ZINC000282704576 1131149079 /nfs/dbraw/zinc/14/90/79/1131149079.db2.gz MRTTVHKXFHGUDR-UHFFFAOYSA-N 0 3 339.439 3.554 20 30 EHEDHN C[NH+](C)C1(C/N=C\c2cc(Cl)ccc2[O-])Cc2ccccc2C1 ZINC000741466284 1131605880 /nfs/dbraw/zinc/60/58/80/1131605880.db2.gz LLMBWZBSBJGZCG-MTJSOVHGSA-N 0 3 328.843 3.564 20 30 EHEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H](C)C(C)C ZINC000741788507 1131647747 /nfs/dbraw/zinc/64/77/47/1131647747.db2.gz VQCCKHYXILFLHL-ZIAGYGMSSA-N 0 3 329.469 3.839 20 30 EHEDHN C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H]1C ZINC000741790738 1131648393 /nfs/dbraw/zinc/64/83/93/1131648393.db2.gz LBQGNKZJGTZCRQ-MCIONIFRSA-N 0 3 327.453 3.593 20 30 EHEDHN C[C@H](CCCC#N)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001172494533 1131757704 /nfs/dbraw/zinc/75/77/04/1131757704.db2.gz VJRVKWBHWKNVFF-OAHLLOKOSA-N 0 3 339.405 3.905 20 30 EHEDHN Cc1ccc(N2CCC[C@H](N[C@@H](C)c3ccc(C#N)cc3)C2=O)cc1 ZINC000743468958 1131927763 /nfs/dbraw/zinc/92/77/63/1131927763.db2.gz QRBMSHAMKQXDSA-JXFKEZNVSA-N 0 3 333.435 3.713 20 30 EHEDHN Cc1ccc(N2CCC[C@@H](N[C@@H](C)c3ccc(C#N)cc3)C2=O)cc1 ZINC000743469249 1131927808 /nfs/dbraw/zinc/92/78/08/1131927808.db2.gz QRBMSHAMKQXDSA-OXJNMPFZSA-N 0 3 333.435 3.713 20 30 EHEDHN Cc1nc(C)c(CN2CCC[C@H](Oc3ccc(C#N)cc3)C2)s1 ZINC001206192169 1131994262 /nfs/dbraw/zinc/99/42/62/1131994262.db2.gz KXITUGCVYGTGJD-KRWDZBQOSA-N 0 3 327.453 3.675 20 30 EHEDHN N#CC(C(=O)Cc1cc(F)ccc1F)C(=O)Nc1ccccc1Cl ZINC000744029486 1132006392 /nfs/dbraw/zinc/00/63/92/1132006392.db2.gz UCRUHRGUNUWBBD-LBPRGKRZSA-N 0 3 348.736 3.508 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@@]34CCc3ccccc34)nc21 ZINC000744161389 1132036345 /nfs/dbraw/zinc/03/63/45/1132036345.db2.gz TZNRLBUCMMVUGQ-ULYRPOKDSA-N 0 3 341.414 3.952 20 30 EHEDHN N#CCC1(NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCCC1 ZINC001173417885 1132068253 /nfs/dbraw/zinc/06/82/53/1132068253.db2.gz HKNYAWOSNSAGRI-UHFFFAOYSA-N 0 3 345.874 3.761 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC2(CCCC2)C1 ZINC000744422041 1132092490 /nfs/dbraw/zinc/09/24/90/1132092490.db2.gz LJZSUYHYWASDNH-MRXNPFEDSA-N 0 3 332.513 3.917 20 30 EHEDHN COc1ccc(CN[C@H](C)[C@H](O)c2c(F)cccc2Cl)cc1C#N ZINC000744447245 1132101349 /nfs/dbraw/zinc/10/13/49/1132101349.db2.gz HWRCJYKYTUPVBL-ZMZPIMSZSA-N 0 3 348.805 3.571 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000065439370 1132504292 /nfs/dbraw/zinc/50/42/92/1132504292.db2.gz JFHGSRBEICHTAH-UZLBHIALSA-N 0 3 348.450 3.710 20 30 EHEDHN CCN1CCN(c2ccc(Nc3ccc(C(C)(C)C#N)nc3)cc2)CC1 ZINC001175783845 1132766342 /nfs/dbraw/zinc/76/63/42/1132766342.db2.gz XFGOMVXEHITICP-UHFFFAOYSA-N 0 3 349.482 3.768 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000766915414 1132913708 /nfs/dbraw/zinc/91/37/08/1132913708.db2.gz MOWMTNUQJVJWPD-FPOVZHCZSA-N 0 3 336.435 3.655 20 30 EHEDHN C#CCCCN1CCC[C@H]1c1ccccc1I ZINC000766904628 1132916763 /nfs/dbraw/zinc/91/67/63/1132916763.db2.gz AHKNYLANOKYBDO-HNNXBMFYSA-N 0 3 339.220 3.842 20 30 EHEDHN CS[C@H](C)CCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000773767338 1133195193 /nfs/dbraw/zinc/19/51/93/1133195193.db2.gz CBLDVBWTSWWXMH-KOLCDFICSA-N 0 3 342.823 3.658 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN(C)C[C@H]2OCCc3ccccc32)cc1 ZINC000769025838 1133216015 /nfs/dbraw/zinc/21/60/15/1133216015.db2.gz ZZPNIKMYBBHOHK-IIBYNOLFSA-N 0 3 336.435 3.723 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000769315211 1133260605 /nfs/dbraw/zinc/26/06/05/1133260605.db2.gz HSCNLSVDEXPSHM-LAUBAEHRSA-N 0 3 336.435 3.941 20 30 EHEDHN N#Cc1ccc(OC2CCN(Cc3ccc4c(c3)CCCO4)CC2)cc1 ZINC001181410741 1133483044 /nfs/dbraw/zinc/48/30/44/1133483044.db2.gz PINZWYQUOJFRBA-UHFFFAOYSA-N 0 3 348.446 3.927 20 30 EHEDHN C#C[C@H](CC)NCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001181576741 1133502915 /nfs/dbraw/zinc/50/29/15/1133502915.db2.gz NVZYCHJJFQKNEB-CQSZACIVSA-N 0 3 334.485 3.543 20 30 EHEDHN CC[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000774309894 1133658239 /nfs/dbraw/zinc/65/82/39/1133658239.db2.gz BIRQYUMULWHSNY-OAQYLSRUSA-N 0 3 334.467 3.873 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCCc2c(C)nn(C)c2C)c([O-])c1 ZINC000774540891 1133726021 /nfs/dbraw/zinc/72/60/21/1133726021.db2.gz IBAJEDCTZJJYIZ-STZFKDTASA-N 0 3 342.487 3.640 20 30 EHEDHN C[C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1 ZINC001182799433 1133730353 /nfs/dbraw/zinc/73/03/53/1133730353.db2.gz NLBQDZTZPQYNGT-LAUBAEHRSA-N 0 3 347.462 3.615 20 30 EHEDHN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)NCc2cccc(C)c2)C1(C)C ZINC000786550341 1133873651 /nfs/dbraw/zinc/87/36/51/1133873651.db2.gz OIVWEZOCXXLICK-KZNAEPCWSA-N 0 3 338.451 3.559 20 30 EHEDHN C=CC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774820874 1134032265 /nfs/dbraw/zinc/03/22/65/1134032265.db2.gz INHQQVXIEWVPBX-UHFFFAOYSA-N 0 3 334.397 3.559 20 30 EHEDHN C=CC[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774820874 1134032271 /nfs/dbraw/zinc/03/22/71/1134032271.db2.gz INHQQVXIEWVPBX-UHFFFAOYSA-N 0 3 334.397 3.559 20 30 EHEDHN CCCN1CCc2c(N)sc(Nc3ccccc3OCC#N)c2C1 ZINC001212599529 1134173672 /nfs/dbraw/zinc/17/36/72/1134173672.db2.gz YMEWQNJTOKTAQY-UHFFFAOYSA-N 0 3 342.468 3.744 20 30 EHEDHN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC2SC(=O)C=C2C1 ZINC001187132419 1134301720 /nfs/dbraw/zinc/30/17/20/1134301720.db2.gz BPQFNPFNCQRMGV-LBPRGKRZSA-N 0 3 343.235 3.799 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001187172352 1134310791 /nfs/dbraw/zinc/31/07/91/1134310791.db2.gz YWGRYIFTCJHOTH-AWEZNQCLSA-N 0 3 328.243 3.765 20 30 EHEDHN C=CCS(=O)(=O)CCN[C@H](c1ccc(C)cc1)C1CCCCC1 ZINC000790680461 1134449994 /nfs/dbraw/zinc/44/99/94/1134449994.db2.gz YFIXIKZYDIZSSS-IBGZPJMESA-N 0 3 335.513 3.807 20 30 EHEDHN CCCCC[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000775320284 1134625511 /nfs/dbraw/zinc/62/55/11/1134625511.db2.gz MUQKTQKLWXYPPR-QUCCMNQESA-N 0 3 329.488 3.952 20 30 EHEDHN N#CC1(c2ccccc2)CCC(N2CCc3c(cc[nH]c3=O)C2)CC1 ZINC001170396375 1134764048 /nfs/dbraw/zinc/76/40/48/1134764048.db2.gz ZIRHRUYQDJTORL-UHFFFAOYSA-N 0 3 333.435 3.549 20 30 EHEDHN N#CC1(c2ccccc2)CCC(N2C[C@@H]3COC[C@H](C2)C3(F)F)CC1 ZINC001170395731 1134764184 /nfs/dbraw/zinc/76/41/84/1134764184.db2.gz NXBZCJZAPPJTGM-LPOKXYRGSA-N 0 3 346.421 3.604 20 30 EHEDHN CCCCCCCCNC(=O)N1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001191069053 1134786831 /nfs/dbraw/zinc/78/68/31/1134786831.db2.gz DQYFMJRJGJRZCU-ZWKOTPCHSA-N 0 3 341.515 3.955 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN2C[C@H](C)[C@@H](C)[C@H]2C)ccc1Cl ZINC001195280660 1135404154 /nfs/dbraw/zinc/40/41/54/1135404154.db2.gz WEHZQQVRDMLSLH-ARFHVFGLSA-N 0 3 347.890 3.871 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)C[C@H]2CC2(C)C)c1 ZINC001196460037 1135569780 /nfs/dbraw/zinc/56/97/80/1135569780.db2.gz WHFLBDHYGNIWBK-QZTJIDSGSA-N 0 3 341.499 3.917 20 30 EHEDHN C#CCCCN(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000808786179 1135737162 /nfs/dbraw/zinc/73/71/62/1135737162.db2.gz JFDGLNOVEPDFKX-HNNXBMFYSA-N 0 3 333.781 3.521 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000809655420 1135865670 /nfs/dbraw/zinc/86/56/70/1135865670.db2.gz KDSDAKBPMQWZON-OXJNMPFZSA-N 0 3 338.451 3.827 20 30 EHEDHN COc1cccc(CCNCc2cc(C#N)ccc2Br)c1 ZINC001199320859 1135897613 /nfs/dbraw/zinc/89/76/13/1135897613.db2.gz RGIQUEYACXLINZ-UHFFFAOYSA-N 0 3 345.240 3.662 20 30 EHEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1C[C@@H](C)CCC=C(C)C ZINC001201490886 1136028381 /nfs/dbraw/zinc/02/83/81/1136028381.db2.gz PKTAQLPTAUHYDZ-PKOBYXMFSA-N 0 3 331.504 3.904 20 30 EHEDHN CCCCCCCCN1CCCn2nnc(COCC3CC3)c2C1 ZINC001201813961 1136065194 /nfs/dbraw/zinc/06/51/94/1136065194.db2.gz LRFRGMPLFSUPQI-UHFFFAOYSA-N 0 3 334.508 3.771 20 30 EHEDHN CCCCCCCCCCN1CC[C@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001201852959 1136066825 /nfs/dbraw/zinc/06/68/25/1136066825.db2.gz UWBCOHQOQBIHKS-RBUKOAKNSA-N 0 3 346.519 3.740 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(OCC=C)c(OC)c2)cc1 ZINC001202465691 1136146415 /nfs/dbraw/zinc/14/64/15/1136146415.db2.gz GWVPDXMOJAWNOB-UHFFFAOYSA-N 0 3 337.419 3.562 20 30 EHEDHN CCc1ccc([C@H](C/N=C/c2c(O)cccc2OC)N(C)C)cc1 ZINC000812395518 1136203464 /nfs/dbraw/zinc/20/34/64/1136203464.db2.gz BWONOPPUCNQVPG-LANLRWRYSA-N 0 3 326.440 3.685 20 30 EHEDHN C#C[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(F)cc1 ZINC000812792541 1136245481 /nfs/dbraw/zinc/24/54/81/1136245481.db2.gz BLZFJZOBNOVVMH-OAQYLSRUSA-N 0 3 338.426 3.767 20 30 EHEDHN CCCCCCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218785 1136304266 /nfs/dbraw/zinc/30/42/66/1136304266.db2.gz ZHSOASQWZGCOCV-CYBMUJFWSA-N 0 3 328.334 3.874 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000850978473 1136324737 /nfs/dbraw/zinc/32/47/37/1136324737.db2.gz SUVXPYYRBGNQGS-ZSYWTGECSA-N 0 3 338.451 3.570 20 30 EHEDHN Cc1cc(C#N)ccc1CN(C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307309 1136447422 /nfs/dbraw/zinc/44/74/22/1136447422.db2.gz UGYUUHABKXXECC-UHFFFAOYSA-N 0 3 331.460 3.602 20 30 EHEDHN CC(C)(NC[C@H]1CN(C2CCCCC2)C(=O)O1)c1cccc(C#N)c1 ZINC000852353954 1136451595 /nfs/dbraw/zinc/45/15/95/1136451595.db2.gz SUCDNIZVYSBCKT-SFHVURJKSA-N 0 3 341.455 3.536 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2cscn2)cc1 ZINC000853097510 1136508989 /nfs/dbraw/zinc/50/89/89/1136508989.db2.gz BRGJMIZNLZOKHU-BLLLJJGKSA-N 0 3 341.436 3.547 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)c(F)c1 ZINC000776728474 1136609020 /nfs/dbraw/zinc/60/90/20/1136609020.db2.gz GWXSCFXQDNCGKF-STQMWFEESA-N 0 3 337.398 3.994 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CNCc2cccc(OC)c2)ccc1OC ZINC000113347553 1136697473 /nfs/dbraw/zinc/69/74/73/1136697473.db2.gz HVKIGNGGVPOILL-QGZVFWFLSA-N 0 3 340.423 3.675 20 30 EHEDHN N#Cc1ccccc1CN[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170851927 1136770560 /nfs/dbraw/zinc/77/05/60/1136770560.db2.gz VLVBYSAFSVABND-GOSISDBHSA-N 0 3 341.252 3.968 20 30 EHEDHN C[C@](O)(CNCc1cccc(-c2ccc(C#N)s2)c1)C(F)(F)F ZINC000819091761 1136907696 /nfs/dbraw/zinc/90/76/96/1136907696.db2.gz LEUGMWMDPXFHPH-HNNXBMFYSA-N 0 3 340.370 3.690 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000819209894 1136925035 /nfs/dbraw/zinc/92/50/35/1136925035.db2.gz NMQBHJGQGMRTOV-MSOLQXFVSA-N 0 3 342.826 3.749 20 30 EHEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)cnc1Cl ZINC000858290139 1136955404 /nfs/dbraw/zinc/95/54/04/1136955404.db2.gz QLSHVRNNPDIAOH-UHFFFAOYSA-N 0 3 341.842 3.711 20 30 EHEDHN C[C@H](CN(C)Cc1ccc(C(C)(C)C#N)cc1)NC(=O)OC(C)(C)C ZINC000860097692 1137043968 /nfs/dbraw/zinc/04/39/68/1137043968.db2.gz VONKLQALWPADOE-OAHLLOKOSA-N 0 3 345.487 3.833 20 30 EHEDHN N#Cc1ccccc1N1CCCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822580521 1137065986 /nfs/dbraw/zinc/06/59/86/1137065986.db2.gz ZZTMGACGVVINJW-OAHLLOKOSA-N 0 3 338.282 3.654 20 30 EHEDHN Cc1ccn2c(CN3CCC(c4cccc(C#N)c4)CC3)cnc2c1 ZINC001136889644 1137140753 /nfs/dbraw/zinc/14/07/53/1137140753.db2.gz CDQOLUXZIWUZDB-UHFFFAOYSA-N 0 3 330.435 3.894 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(OC)c(OCCC)c2)cc1 ZINC000824925837 1137158010 /nfs/dbraw/zinc/15/80/10/1137158010.db2.gz FQBNNDATQMKDFQ-UHFFFAOYSA-N 0 3 339.435 3.786 20 30 EHEDHN COc1ccc(C(C)N=Nc2cccc(C)n2)cc1CN1CCCC1 ZINC000863161260 1137172083 /nfs/dbraw/zinc/17/20/83/1137172083.db2.gz AWDRRYFGOKJPEP-UHFFFAOYSA-N 0 3 338.455 3.831 20 30 EHEDHN CC[C@H](OCCN(C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844370107 1137213344 /nfs/dbraw/zinc/21/33/44/1137213344.db2.gz WEXWEACQXMHGIJ-RTWAWAEBSA-N 0 3 338.451 3.691 20 30 EHEDHN N#CC(C(=O)CCCc1csc2ccccc12)C(=O)N1CCCC1 ZINC000119904918 1137218476 /nfs/dbraw/zinc/21/84/76/1137218476.db2.gz XKOHAZGKDDIYPF-INIZCTEOSA-N 0 3 340.448 3.555 20 30 EHEDHN Cc1cc(Br)cc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001144214575 1137252181 /nfs/dbraw/zinc/25/21/81/1137252181.db2.gz HJFITSZUBYWDLS-CQSZACIVSA-N 0 3 338.270 3.532 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@](C)(Cc2ccccc2)C(C)C)CC1 ZINC000865192562 1137267837 /nfs/dbraw/zinc/26/78/37/1137267837.db2.gz BCBKLLYYNHWTKA-NRFANRHFSA-N 0 3 328.500 3.658 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCc2ccccc2C1 ZINC000845436709 1137291818 /nfs/dbraw/zinc/29/18/18/1137291818.db2.gz JDGLJWXPYBFQHW-IAGOWNOFSA-N 0 3 329.403 3.555 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000845441526 1137292068 /nfs/dbraw/zinc/29/20/68/1137292068.db2.gz QOPNVZMWIILXOH-LRDDRELGSA-N 0 3 332.831 3.601 20 30 EHEDHN C#Cc1ccc(CN2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001144573596 1137311667 /nfs/dbraw/zinc/31/16/67/1137311667.db2.gz MJTIMIFUMJVZMJ-UHFFFAOYSA-N 0 3 340.467 3.501 20 30 EHEDHN N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)C1C[C@]1(F)c1ccccc1 ZINC000845842373 1137315313 /nfs/dbraw/zinc/31/53/13/1137315313.db2.gz FSKYHMWQCRZOGR-HMFYCAOWSA-N 0 3 347.389 3.881 20 30 EHEDHN C[C@@H]1C[C@@H](CNCC2(C#N)CCCC2)CCN1C(=O)OC(C)(C)C ZINC000846009936 1137325166 /nfs/dbraw/zinc/32/51/66/1137325166.db2.gz FWZYIMUYYBDNGF-CVEARBPZSA-N 0 3 335.492 3.696 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@H](N[C@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000846062081 1137332253 /nfs/dbraw/zinc/33/22/53/1137332253.db2.gz XOTBSBQMLPQVOI-BHYGNILZSA-N 0 3 341.455 3.635 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001171221898 1137348361 /nfs/dbraw/zinc/34/83/61/1137348361.db2.gz WTVKLUZHJQKYHU-KDOFPFPSSA-N 0 3 342.389 3.921 20 30 EHEDHN CC[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccccc1[O-] ZINC000866448932 1137355548 /nfs/dbraw/zinc/35/55/48/1137355548.db2.gz OFAVPENHAUOAMD-IBGZPJMESA-N 0 3 335.451 3.974 20 30 EHEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cc(-c2ccccc2)n(C)n1 ZINC000866615713 1137369459 /nfs/dbraw/zinc/36/94/59/1137369459.db2.gz ISZUXLIHQMHEGL-MGPUTAFESA-N 0 3 342.446 3.777 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2coc(-c3ccccc3)n2)c1 ZINC000121685389 1137381893 /nfs/dbraw/zinc/38/18/93/1137381893.db2.gz YTAZVUHVQCZAIK-INIZCTEOSA-N 0 3 345.358 3.611 20 30 EHEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000103638370 1137426717 /nfs/dbraw/zinc/42/67/17/1137426717.db2.gz CVOKHJKVSODEDE-QAPCUYQASA-N 0 3 326.440 3.728 20 30 EHEDHN CCCCCCCOc1ccc(CN2CCC(C(=O)NC)CC2)cc1 ZINC000122533664 1137447445 /nfs/dbraw/zinc/44/74/45/1137447445.db2.gz BMVKYMNSCVVYDG-UHFFFAOYSA-N 0 3 346.515 3.994 20 30 EHEDHN C[C@H](CCc1ccc(F)cc1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000870135728 1137478637 /nfs/dbraw/zinc/47/86/37/1137478637.db2.gz DNCDUXYRWZZFQP-KDOFPFPSSA-N 0 3 338.382 3.742 20 30 EHEDHN CCCN(CCC#N)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172094294 1137532673 /nfs/dbraw/zinc/53/26/73/1137532673.db2.gz JYAHLDZPXLHYMO-FVQHAEBGSA-N 0 3 335.492 3.933 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC001172309022 1137545929 /nfs/dbraw/zinc/54/59/29/1137545929.db2.gz PJRBNSZGBBJOAD-MRXNPFEDSA-N 0 3 339.870 3.965 20 30 EHEDHN Cc1cccc(N2CCN([C@@H](C)Cc3ccc(C#N)cc3)CC2)c1C ZINC001172320618 1137547170 /nfs/dbraw/zinc/54/71/70/1137547170.db2.gz XBYXOUXLQBNBRD-SFHVURJKSA-N 0 3 333.479 3.928 20 30 EHEDHN C#C[C@H]1CC[C@H](NCc2ncc(Br)cc2Cl)CC1 ZINC000873198146 1137593820 /nfs/dbraw/zinc/59/38/20/1137593820.db2.gz TXAWIFWNWGHMCT-UMSPYCQHSA-N 0 3 327.653 3.779 20 30 EHEDHN CC(C)OC1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCC1 ZINC000873499098 1137601076 /nfs/dbraw/zinc/60/10/76/1137601076.db2.gz XAEUUMRHMQIUEL-LBPRGKRZSA-N 0 3 347.365 3.955 20 30 EHEDHN N#Cc1ccccc1O[C@H]1CCCN(Cc2ccc3nccnc3c2)C1 ZINC001137089832 1137633773 /nfs/dbraw/zinc/63/37/73/1137633773.db2.gz APKMFXZSHFINIU-SFHVURJKSA-N 0 3 344.418 3.545 20 30 EHEDHN N#CCc1ccsc1C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000875730158 1137637443 /nfs/dbraw/zinc/63/74/43/1137637443.db2.gz UZQRPYWEDCPGCK-UHFFFAOYSA-N 0 3 345.512 3.685 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000876643526 1137657982 /nfs/dbraw/zinc/65/79/82/1137657982.db2.gz ZCZCNTMDRPEDAL-KGLIPLIRSA-N 0 3 346.780 3.839 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000876697280 1137659341 /nfs/dbraw/zinc/65/93/41/1137659341.db2.gz RMIUTAUWORWART-IINYFYTJSA-N 0 3 348.796 3.785 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000876775031 1137661030 /nfs/dbraw/zinc/66/10/30/1137661030.db2.gz MMWJRUPRJPELTH-GDBMZVCRSA-N 0 3 335.879 3.782 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000876885239 1137664591 /nfs/dbraw/zinc/66/45/91/1137664591.db2.gz JUOCYNSWDJSDNC-LSDHHAIUSA-N 0 3 327.255 3.864 20 30 EHEDHN CC(=O)[C@@](C#N)(CCN1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000878013934 1137699525 /nfs/dbraw/zinc/69/95/25/1137699525.db2.gz GMMOGBPQPWXGGM-IRLDBZIGSA-N 0 3 332.447 3.917 20 30 EHEDHN C[C@H](CN1C[C@H](C)N(CC#N)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000878771948 1137727705 /nfs/dbraw/zinc/72/77/05/1137727705.db2.gz ATUUHLUPCUEMFI-ILXRZTDVSA-N 0 3 339.405 3.727 20 30 EHEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccccc1OC(C)C)C2 ZINC001137138332 1137729677 /nfs/dbraw/zinc/72/96/77/1137729677.db2.gz XLYFITWALAZKCK-FPOVZHCZSA-N 0 3 345.483 3.800 20 30 EHEDHN C[C@H](C#N)OCCN1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000878932239 1137732578 /nfs/dbraw/zinc/73/25/78/1137732578.db2.gz QTPNFJXNGOYLBW-CQSZACIVSA-N 0 3 335.517 3.624 20 30 EHEDHN CCOC(=O)c1sc(CC2CCN([C@H](C)CCC#N)CC2)nc1C ZINC000880265409 1137772446 /nfs/dbraw/zinc/77/24/46/1137772446.db2.gz CYDYGVDAQKNOFY-CYBMUJFWSA-N 0 3 349.500 3.575 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCC[C@]23CCCO3)c(Br)c1 ZINC000880505359 1137780187 /nfs/dbraw/zinc/78/01/87/1137780187.db2.gz JUCUPSVPSPMVFI-CVEARBPZSA-N 0 3 335.245 3.512 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C3CC3)cc2F)CC1 ZINC000880744930 1137787826 /nfs/dbraw/zinc/78/78/26/1137787826.db2.gz XZYXPYLGOIJNIA-UHFFFAOYSA-N 0 3 331.435 3.865 20 30 EHEDHN C=CCCC[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccccc1 ZINC000883176167 1137847412 /nfs/dbraw/zinc/84/74/12/1137847412.db2.gz XDLJKKAJKZZGHT-WOJBJXKFSA-N 0 3 339.483 3.940 20 30 EHEDHN C=CCC[C@@H](NCc1nn(C)cc1C(F)F)[C@@H]1Cc2ccccc2O1 ZINC000883242874 1137850081 /nfs/dbraw/zinc/85/00/81/1137850081.db2.gz USIGEPGEIAOVRO-QAPCUYQASA-N 0 3 347.409 3.786 20 30 EHEDHN Cc1c([C@H](C)NCC(C)(C)CCC#N)nnn1-c1ccc(F)cc1 ZINC000348249728 1137878469 /nfs/dbraw/zinc/87/84/69/1137878469.db2.gz YVBSMFKUVDEWEV-ZDUSSCGKSA-N 0 3 329.423 3.695 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@H](CC)c2c(C)nn(C)c2C)cc1 ZINC000133727791 1137908816 /nfs/dbraw/zinc/90/88/16/1137908816.db2.gz LMDKEQBWHJUXFN-IFXJQAMLSA-N 0 3 325.456 3.851 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC1CC1 ZINC000112983755 1137911002 /nfs/dbraw/zinc/91/10/02/1137911002.db2.gz FRBGFYBSNROKGE-AWEZNQCLSA-N 0 3 331.485 3.751 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000118391881 1137933638 /nfs/dbraw/zinc/93/36/38/1137933638.db2.gz VYRRFDRGJACIGZ-INIZCTEOSA-N 0 3 333.435 3.514 20 30 EHEDHN O=C1C=C2CN(Cc3ccc4cccc(Cl)c4n3)CCC2S1 ZINC001137221662 1138024985 /nfs/dbraw/zinc/02/49/85/1138024985.db2.gz XBXBCTPKCJYOBY-OAHLLOKOSA-N 0 3 330.840 3.662 20 30 EHEDHN C[C@@H]1SCCN(C[C@@H](O)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886014040 1138032209 /nfs/dbraw/zinc/03/22/09/1138032209.db2.gz BGVOPWBROKETCE-SZMVWBNQSA-N 0 3 330.497 3.610 20 30 EHEDHN N#CCCCNCc1cc(Br)c(Br)s1 ZINC000886059949 1138036664 /nfs/dbraw/zinc/03/66/64/1138036664.db2.gz PRJMTCFRBSXZIL-UHFFFAOYSA-N 0 3 338.068 3.666 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC000886296949 1138065281 /nfs/dbraw/zinc/06/52/81/1138065281.db2.gz FMWIFDDQQRBWKX-HZPDHXFCSA-N 0 3 334.410 3.589 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000066704195 1138077438 /nfs/dbraw/zinc/07/74/38/1138077438.db2.gz RDHRBKXMSFTZHR-QGZVFWFLSA-N 0 3 341.499 3.647 20 30 EHEDHN CSc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1C#N ZINC000886688309 1138115573 /nfs/dbraw/zinc/11/55/73/1138115573.db2.gz OLAZBSPPUJDIOO-ZAMGYDSWSA-N 0 3 344.505 3.868 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000077283463 1138138448 /nfs/dbraw/zinc/13/84/48/1138138448.db2.gz FVRNUHSUBDZARC-ZDUSSCGKSA-N 0 3 345.468 3.712 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000091960544 1138223792 /nfs/dbraw/zinc/22/37/92/1138223792.db2.gz HEGXZIHNVUMBBH-WMZOPIPTSA-N 0 3 341.455 3.540 20 30 EHEDHN COCc1ccc([C@@H]2CCCN2CCOc2cccc(C#N)c2)o1 ZINC000131000247 1138488903 /nfs/dbraw/zinc/48/89/03/1138488903.db2.gz JMOHGCDLKGBEOH-SFHVURJKSA-N 0 3 326.396 3.514 20 30 EHEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000134142983 1138674683 /nfs/dbraw/zinc/67/46/83/1138674683.db2.gz FMJQDGRBMCEHFY-MAUKXSAKSA-N 0 3 343.471 3.683 20 30 EHEDHN Cc1ccc(OC2CCN(Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000265228001 1138772983 /nfs/dbraw/zinc/77/29/83/1138772983.db2.gz AYGJNJBQGVJSIA-UHFFFAOYSA-N 0 3 336.435 3.941 20 30 EHEDHN C=CCN(CCCO[C@H]1CCCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000338236993 1138797146 /nfs/dbraw/zinc/79/71/46/1138797146.db2.gz WJSARESWVZMXIZ-SFHVURJKSA-N 0 3 334.416 3.516 20 30 EHEDHN CCCCNC(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000173918545 1139387307 /nfs/dbraw/zinc/38/73/07/1139387307.db2.gz GFDSYGWZRGONMU-INIZCTEOSA-N 0 3 335.451 3.939 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)CC1 ZINC000174770570 1139440525 /nfs/dbraw/zinc/44/05/25/1139440525.db2.gz USJBIMUYZMYTOX-SJLPKXTDSA-N 0 3 345.487 3.803 20 30 EHEDHN C=CCN1CCC(NC(=O)Cc2cc3c(ccc4ccccc34)o2)CC1 ZINC000178790344 1139718288 /nfs/dbraw/zinc/71/82/88/1139718288.db2.gz YWEUTOARPSCSFM-UHFFFAOYSA-N 0 3 348.446 3.895 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(-c3ccc(C)o3)s2)CC1 ZINC000180942798 1139873453 /nfs/dbraw/zinc/87/34/53/1139873453.db2.gz SLIBSEFIUBMGJD-UHFFFAOYSA-N 0 3 330.453 3.697 20 30 EHEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181270935 1139896835 /nfs/dbraw/zinc/89/68/35/1139896835.db2.gz BDQSCTXAZFDYGA-CYBMUJFWSA-N 0 3 339.370 3.505 20 30 EHEDHN Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)cc2)c(C#N)c1C ZINC000182345587 1139966747 /nfs/dbraw/zinc/96/67/47/1139966747.db2.gz VIYRRVSFONKIAM-UONOGXRCSA-N 0 3 325.412 3.754 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000188066344 1140281731 /nfs/dbraw/zinc/28/17/31/1140281731.db2.gz CDSOJVHGVCYQDW-HNNXBMFYSA-N 0 3 341.455 3.834 20 30 EHEDHN CCN(CCCCCS(=O)(=O)CC)[C@H](C)c1ccc(C#N)cc1 ZINC000190425495 1140403405 /nfs/dbraw/zinc/40/34/05/1140403405.db2.gz NCNHINWYNGIFNV-MRXNPFEDSA-N 0 3 336.501 3.546 20 30 EHEDHN Cc1cc(C)cc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190633655 1140412673 /nfs/dbraw/zinc/41/26/73/1140412673.db2.gz JZCPDZNJYSMSSO-UWJYYQICSA-N 0 3 347.462 3.627 20 30 EHEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000266448959 1140689272 /nfs/dbraw/zinc/68/92/72/1140689272.db2.gz IVPLSZPCTFWIGQ-CVEARBPZSA-N 0 3 338.451 3.704 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000270233529 1141195214 /nfs/dbraw/zinc/19/52/14/1141195214.db2.gz AZXTVGBMCCWNHM-LJQANCHMSA-N 0 3 345.462 3.535 20 30 EHEDHN C#CC[C@@H](N[C@H](C)c1cccc(N2CCOCC2)c1)c1ccccc1 ZINC000271569243 1141399318 /nfs/dbraw/zinc/39/93/18/1141399318.db2.gz VMKCWQHHVMRHIA-XMSQKQJNSA-N 0 3 334.463 3.938 20 30 EHEDHN CCOc1ccc(O)c(/C=N/C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000126920230 1015094144 /nfs/dbraw/zinc/09/41/44/1015094144.db2.gz ZAUSZSQHQCEFEC-AGKWGAAGSA-N 0 3 330.403 3.652 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](CC2CC2)C1 ZINC000339676128 1015505608 /nfs/dbraw/zinc/50/56/08/1015505608.db2.gz SRMYNHZXCNTEEB-RDJZCZTQSA-N 0 3 343.446 3.583 20 30 EHEDHN C=C(C)[C@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000275089399 1015966310 /nfs/dbraw/zinc/96/63/10/1015966310.db2.gz ULAZACOXUCYKGD-UGSOOPFHSA-N 0 3 349.425 3.532 20 30 EHEDHN C=CCCCCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001625838479 1016136371 /nfs/dbraw/zinc/13/63/71/1016136371.db2.gz CWSRAUZRIABBCI-SFHVURJKSA-N 0 3 328.500 3.802 20 30 EHEDHN C=CCOCCNCc1cc(Br)ccc1OCCC ZINC000311770262 1016798011 /nfs/dbraw/zinc/79/80/11/1016798011.db2.gz WNZQAUCINBFPQX-UHFFFAOYSA-N 0 3 328.250 3.530 20 30 EHEDHN Cc1ccccc1[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)C(C)C ZINC000537059319 1032497610 /nfs/dbraw/zinc/49/76/10/1032497610.db2.gz BIKIKJNJRBUUGJ-FQEVSTJZSA-N 0 3 341.499 3.967 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1cccs1 ZINC000537075316 1032508594 /nfs/dbraw/zinc/50/85/94/1032508594.db2.gz OYMUIAGTNYTBFX-ZWKOTPCHSA-N 0 3 335.517 3.869 20 30 EHEDHN C=C(C)CCNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000449476490 1032598808 /nfs/dbraw/zinc/59/88/08/1032598808.db2.gz NFJWEZOCLZSFBF-UHFFFAOYSA-N 0 3 348.321 3.600 20 30 EHEDHN N#Cc1cccc(OC2CCN(CCc3noc4ccccc34)CC2)c1 ZINC000593958770 1032598947 /nfs/dbraw/zinc/59/89/47/1032598947.db2.gz YJYSLCBHEQHMCS-UHFFFAOYSA-N 0 3 347.418 3.785 20 30 EHEDHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000377009969 1017254470 /nfs/dbraw/zinc/25/44/70/1017254470.db2.gz OETUWRFJCXPFOM-KATGSKEPSA-N 0 3 345.446 3.846 20 30 EHEDHN N#Cc1ccc(CN2CCc3ccccc3CC2)c(OC(F)F)c1 ZINC000580030627 1018223890 /nfs/dbraw/zinc/22/38/90/1018223890.db2.gz BYFUCVUUBCSQME-UHFFFAOYSA-N 0 3 328.362 3.760 20 30 EHEDHN C[C@H]1CC(F)(F)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000528765599 1032764117 /nfs/dbraw/zinc/76/41/17/1032764117.db2.gz DTQSSXJGSRXQTM-NWDGAFQWSA-N 0 3 349.406 3.592 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1F ZINC000594019154 1032790621 /nfs/dbraw/zinc/79/06/21/1032790621.db2.gz BLEVUYWGWIURDD-GOSISDBHSA-N 0 3 325.387 3.767 20 30 EHEDHN CCN(CC)c1ccc(CNCc2ccc(OCC#N)cc2)cc1F ZINC000172672239 1032840765 /nfs/dbraw/zinc/84/07/65/1032840765.db2.gz PHACZPHDXOUSMC-UHFFFAOYSA-N 0 3 341.430 3.864 20 30 EHEDHN N#Cc1ccc(C2CCN(Cc3ccc4oc(=O)oc4c3)CC2)cc1 ZINC000897588456 1032856559 /nfs/dbraw/zinc/85/65/59/1032856559.db2.gz CKZDUEWDBGZSGX-UHFFFAOYSA-N 0 3 334.375 3.637 20 30 EHEDHN CCCCCCCOc1ccc(CN[C@@H]2CCCN(C)C2=O)cc1 ZINC001203155719 1019866363 /nfs/dbraw/zinc/86/63/63/1019866363.db2.gz FFRXTLLUVPJRGA-LJQANCHMSA-N 0 3 332.488 3.746 20 30 EHEDHN C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccccc1 ZINC000177826261 1020101949 /nfs/dbraw/zinc/10/19/49/1020101949.db2.gz HNHKFIRTNWQXRR-DYVFJYSZSA-N 0 3 325.437 3.641 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(COc2ccccc2)n1 ZINC000280717408 1020604386 /nfs/dbraw/zinc/60/43/86/1020604386.db2.gz URPBGFWNDAVYNF-BEFAXECRSA-N 0 3 344.480 3.793 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(OC2CCCC2)nc1 ZINC000602516588 1032927160 /nfs/dbraw/zinc/92/71/60/1032927160.db2.gz NXXGYLYUUPIOOJ-MRXNPFEDSA-N 0 3 343.471 3.592 20 30 EHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCC1 ZINC000933300229 1021063790 /nfs/dbraw/zinc/06/37/90/1021063790.db2.gz UZCJPPHSWOKXOL-NSHDSACASA-N 0 3 325.239 3.856 20 30 EHEDHN Cc1cccc([C@@H](C)N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000518426800 1021175268 /nfs/dbraw/zinc/17/52/68/1021175268.db2.gz LXOVXHRCEQNCMJ-OXQOHEQNSA-N 0 3 333.435 3.631 20 30 EHEDHN N#CCC1(CN[C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000366763887 1021222339 /nfs/dbraw/zinc/22/23/39/1021222339.db2.gz GJFIVGVIUAJMQQ-AWEZNQCLSA-N 0 3 335.245 3.946 20 30 EHEDHN CN(C)CCN(CC1CCCCC1)C(=O)c1cc(C#N)ccc1Cl ZINC000507472006 1021286339 /nfs/dbraw/zinc/28/63/39/1021286339.db2.gz YWYLSRGQWJMFKA-UHFFFAOYSA-N 0 3 347.890 3.796 20 30 EHEDHN N#Cc1csc(CNC(Cc2ccccc2)Cc2ccccc2)n1 ZINC000516352662 1021337456 /nfs/dbraw/zinc/33/74/56/1021337456.db2.gz AHCZOQKGNCERIE-UHFFFAOYSA-N 0 3 333.460 3.958 20 30 EHEDHN CO[C@H](CCNCc1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000341343691 1021475200 /nfs/dbraw/zinc/47/52/00/1021475200.db2.gz CHAQLPOEXLKSNC-LLVKDONJSA-N 0 3 349.246 3.781 20 30 EHEDHN CSC1(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCC1 ZINC000516519487 1021507294 /nfs/dbraw/zinc/50/72/94/1021507294.db2.gz QISWNCMYUMCSQE-KRWDZBQOSA-N 0 3 349.931 3.808 20 30 EHEDHN C[C@H](NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000437092913 1021545722 /nfs/dbraw/zinc/54/57/22/1021545722.db2.gz FXCHSQXNARTXSV-DETPVDSQSA-N 0 3 344.352 3.832 20 30 EHEDHN CC(C)(C#N)CCCN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000471693119 1021724401 /nfs/dbraw/zinc/72/44/01/1021724401.db2.gz MFESAJSBUUINFG-UHFFFAOYSA-N 0 3 349.906 3.666 20 30 EHEDHN N#CC1(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000593654812 1032999401 /nfs/dbraw/zinc/99/94/01/1032999401.db2.gz PVABKBKRZXMODH-WBVHZDCISA-N 0 3 327.428 3.980 20 30 EHEDHN C=CCOC(=O)N1CCC[C@]2(CCN(Cc3cc(C)cc(F)c3)C2)C1 ZINC001143580243 1021927349 /nfs/dbraw/zinc/92/73/49/1021927349.db2.gz BHCMCRRPGPDFJU-HXUWFJFHSA-N 0 3 346.446 3.745 20 30 EHEDHN C=CCN(C)CCN(CC)C(=O)c1cc(Cl)cc2ccc(C)nc21 ZINC001626750727 1022138781 /nfs/dbraw/zinc/13/87/81/1022138781.db2.gz FBJFSFMECWOIIM-UHFFFAOYSA-N 0 3 345.874 3.777 20 30 EHEDHN CC(C)OCCCN(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438058472 1022357780 /nfs/dbraw/zinc/35/77/80/1022357780.db2.gz LQKGOBVYRODCAS-UHFFFAOYSA-N 0 3 329.362 3.684 20 30 EHEDHN CC[C@](C)(C#N)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894987707 1022361502 /nfs/dbraw/zinc/36/15/02/1022361502.db2.gz XBULAYOHQGJROR-OAHLLOKOSA-N 0 3 327.350 3.645 20 30 EHEDHN COc1ccc(C#N)cc1CN(Cc1ccccc1)[C@H](CO)C(C)C ZINC000438113739 1022401056 /nfs/dbraw/zinc/40/10/56/1022401056.db2.gz GGMGGFMWFIIOHO-HXUWFJFHSA-N 0 3 338.451 3.586 20 30 EHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000430744963 1022645638 /nfs/dbraw/zinc/64/56/38/1022645638.db2.gz WWIFBNDYCVNYSG-HNNXBMFYSA-N 0 3 346.496 3.747 20 30 EHEDHN CCN(CC)[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccco1 ZINC000067383265 1022908319 /nfs/dbraw/zinc/90/83/19/1022908319.db2.gz JLPHAQKYEQHOGR-INIZCTEOSA-N 0 3 328.372 3.554 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473832937 1022916425 /nfs/dbraw/zinc/91/64/25/1022916425.db2.gz XNXPDNRKERNDOO-KRWDZBQOSA-N 0 3 344.503 3.695 20 30 EHEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000341937713 1023708527 /nfs/dbraw/zinc/70/85/27/1023708527.db2.gz BYRORLRCHULYJC-MRXNPFEDSA-N 0 3 329.831 3.971 20 30 EHEDHN N#CCC1(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000602790673 1033161097 /nfs/dbraw/zinc/16/10/97/1033161097.db2.gz MQPFQAYLZXEMPN-UHFFFAOYSA-N 0 3 349.837 3.823 20 30 EHEDHN CC(C)C[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000342070925 1023827118 /nfs/dbraw/zinc/82/71/18/1023827118.db2.gz CALRFFMKMBYBTK-IRXDYDNUSA-N 0 3 345.462 3.829 20 30 EHEDHN CCN(CC)[C@@H](C/N=C\c1cccc(OC)c1O)c1ccsc1 ZINC000255422115 1023840042 /nfs/dbraw/zinc/84/00/42/1023840042.db2.gz JEHCQPNXUQMBLB-YLRSXTQRSA-N 0 3 332.469 3.964 20 30 EHEDHN C#CCSCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180912746 1023969049 /nfs/dbraw/zinc/96/90/49/1023969049.db2.gz ICTOZGJMEZFLTF-GOSISDBHSA-N 0 3 326.421 3.640 20 30 EHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000329808277 1024202606 /nfs/dbraw/zinc/20/26/06/1024202606.db2.gz PEGHQSYMDVPQCJ-FGTMMUONSA-N 0 3 344.503 3.965 20 30 EHEDHN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCC[C@H]1CC1CCCCC1 ZINC000329901548 1024242777 /nfs/dbraw/zinc/24/27/77/1024242777.db2.gz OQVBMNDQACEQNV-ROUUACIJSA-N 0 3 344.503 3.794 20 30 EHEDHN C[C@H]1CN(CCCSc2ccccc2Cl)C[C@H](C)N1CC#N ZINC000602858866 1033210435 /nfs/dbraw/zinc/21/04/35/1033210435.db2.gz VTNILNQTULRFGG-GJZGRUSLSA-N 0 3 337.920 3.740 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000346136491 1024464732 /nfs/dbraw/zinc/46/47/32/1024464732.db2.gz RALUXNKKRDWVAP-KBPBESRZSA-N 0 3 335.386 3.690 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)N1[C@H](C)CC[C@@H]1C ZINC000346167784 1024482551 /nfs/dbraw/zinc/48/25/51/1024482551.db2.gz ZUDXREPZFDRAAL-FGTMMUONSA-N 0 3 347.462 3.681 20 30 EHEDHN C=CCc1cc(CN2CC[C@H](c3nccs3)C2)cc(OC)c1O ZINC000895583995 1024627574 /nfs/dbraw/zinc/62/75/74/1024627574.db2.gz NUAWHXFTBQDHKX-HNNXBMFYSA-N 0 3 330.453 3.575 20 30 EHEDHN C#CCC1(O)CCN(Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000895670300 1024716453 /nfs/dbraw/zinc/71/64/53/1024716453.db2.gz OUUUVERAQJCUQQ-UHFFFAOYSA-N 0 3 331.362 3.575 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccccc2OC2CCCCC2)CC1 ZINC000607645685 1033247421 /nfs/dbraw/zinc/24/74/21/1033247421.db2.gz JHFDKIWCKYDFLN-UHFFFAOYSA-N 0 3 342.483 3.778 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2ccc(CC)cc2)CC1 ZINC000435500490 1024969098 /nfs/dbraw/zinc/96/90/98/1024969098.db2.gz KYZVBZGIRNVMPA-UHFFFAOYSA-N 0 3 343.515 3.824 20 30 EHEDHN C=C(C(=O)N1CC2(CCN2C[C@H](CC)CCCC)C1)C(F)(F)F ZINC001270008145 1025125102 /nfs/dbraw/zinc/12/51/02/1025125102.db2.gz MKCXTHJGVSADOO-CQSZACIVSA-N 0 3 332.410 3.608 20 30 EHEDHN N#C[C@@H]1CC[C@H](NCc2cc(Br)ccc2OC(F)F)C1 ZINC000472156216 1025203732 /nfs/dbraw/zinc/20/37/32/1025203732.db2.gz LLTARVAXTXXEEK-SKDRFNHKSA-N 0 3 345.187 3.832 20 30 EHEDHN C=C(C)COc1cc(CN2CC[C@H](COC(F)F)C2)ccc1OC ZINC000521115953 1025220023 /nfs/dbraw/zinc/22/00/23/1025220023.db2.gz BZERPSQAJVJHTI-HNNXBMFYSA-N 0 3 341.398 3.711 20 30 EHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000342411054 1025251706 /nfs/dbraw/zinc/25/17/06/1025251706.db2.gz KIABNGHMIDRWKK-WIYYLYMNSA-N 0 3 349.478 3.711 20 30 EHEDHN CN1CC[C@@H](NCc2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000551352345 1025278107 /nfs/dbraw/zinc/27/81/07/1025278107.db2.gz XPQVFRVMSHOXAK-MOPGFXCFSA-N 0 3 325.843 3.747 20 30 EHEDHN C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)[C@H]2CCCC[C@H]12 ZINC000515548572 1025343408 /nfs/dbraw/zinc/34/34/08/1025343408.db2.gz HVZSECYJNYSVEP-RLLQIKCJSA-N 0 3 339.483 3.834 20 30 EHEDHN C[C@@H](CCc1ccccc1)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000521422176 1025373245 /nfs/dbraw/zinc/37/32/45/1025373245.db2.gz DJERPPOZPJTFAO-KRWDZBQOSA-N 0 3 337.442 3.841 20 30 EHEDHN C=CCOc1cccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000098024145 1025406614 /nfs/dbraw/zinc/40/66/14/1025406614.db2.gz MEGRRKKACMASJY-IBGZPJMESA-N 0 3 339.439 3.676 20 30 EHEDHN Cc1ncc([C@@H](C)NCCC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000602954417 1033276576 /nfs/dbraw/zinc/27/65/76/1033276576.db2.gz DLJSVSAAEPQSEK-SNVBAGLBSA-N 0 3 348.859 3.656 20 30 EHEDHN Cc1ccc(C)c(OC[C@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425543016 1025694348 /nfs/dbraw/zinc/69/43/48/1025694348.db2.gz RJAXSCVBKMAHFM-YLJYHZDGSA-N 0 3 338.451 3.608 20 30 EHEDHN N#Cc1cc(CN2CCC(c3c[nH]c4ncccc34)CC2)ccc1F ZINC000121078848 1025908471 /nfs/dbraw/zinc/90/84/71/1025908471.db2.gz ZUWHFGMWVQFEGU-UHFFFAOYSA-N 0 3 334.398 3.953 20 30 EHEDHN C[C@@H](C(=O)N1c2ccccc2CC[C@H]1CN(C)C)c1cccc(C#N)c1 ZINC000425613056 1026065379 /nfs/dbraw/zinc/06/53/79/1026065379.db2.gz VSONMPILFQRNNP-UZLBHIALSA-N 0 3 347.462 3.571 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000451601578 1026154914 /nfs/dbraw/zinc/15/49/14/1026154914.db2.gz AUNNQAWOGCQXQV-MSOLQXFVSA-N 0 3 330.472 3.805 20 30 EHEDHN C=CCN(CC1CCCCC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000530817098 1026316904 /nfs/dbraw/zinc/31/69/04/1026316904.db2.gz BZPKRCXHQLEMKX-UHFFFAOYSA-N 0 3 348.531 3.616 20 30 EHEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCCC[C@H]1OCC ZINC000452030774 1026449221 /nfs/dbraw/zinc/44/92/21/1026449221.db2.gz IEHHKAPJYRSHPR-NVXWUHKLSA-N 0 3 348.512 3.841 20 30 EHEDHN C=CCC[C@H](NCC(=O)Nc1ccnn1CCC)c1ccccc1 ZINC000639565932 1026620675 /nfs/dbraw/zinc/62/06/75/1026620675.db2.gz NDNNIHGEKVWRQC-KRWDZBQOSA-N 0 3 326.444 3.529 20 30 EHEDHN CC(C)C[C@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000342666945 1026654281 /nfs/dbraw/zinc/65/42/81/1026654281.db2.gz UKLXNWMOIZTNJM-QZTJIDSGSA-N 0 3 327.472 3.690 20 30 EHEDHN C[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCCO1 ZINC000193048692 1026692070 /nfs/dbraw/zinc/69/20/70/1026692070.db2.gz MXJCKKQOGNTOAG-IBGZPJMESA-N 0 3 334.463 3.997 20 30 EHEDHN C=CCCN(C)CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000342739287 1026913217 /nfs/dbraw/zinc/91/32/17/1026913217.db2.gz UWJHRYKVVOFGHC-OAQYLSRUSA-N 0 3 334.463 3.669 20 30 EHEDHN CN(CCCC(C)(C)C#N)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000472242064 1026950566 /nfs/dbraw/zinc/95/05/66/1026950566.db2.gz OHVQWBRPHWJSNP-SFHVURJKSA-N 0 3 328.435 3.910 20 30 EHEDHN CN(CCCC(C)(C)C#N)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000472242061 1026951662 /nfs/dbraw/zinc/95/16/62/1026951662.db2.gz OHVQWBRPHWJSNP-GOSISDBHSA-N 0 3 328.435 3.910 20 30 EHEDHN CCN(Cc1ccc(C#N)cc1OC)[C@H](COC)Cc1ccccc1 ZINC000501207038 1027134253 /nfs/dbraw/zinc/13/42/53/1027134253.db2.gz GADVALXVGGVQNI-FQEVSTJZSA-N 0 3 338.451 3.646 20 30 EHEDHN N#Cc1cccc(-c2nnc(CN3CC[C@H](c4ccccc4)C3)o2)c1 ZINC000075675321 1027189630 /nfs/dbraw/zinc/18/96/30/1027189630.db2.gz BELOANGNIBHXCF-SFHVURJKSA-N 0 3 330.391 3.598 20 30 EHEDHN CC[C@@H](Cc1ccccc1)N(C)Cc1cccc(C(=O)OC)c1C#N ZINC000582738579 1027441226 /nfs/dbraw/zinc/44/12/26/1027441226.db2.gz ITVRJVHUIDDUKF-SFHVURJKSA-N 0 3 336.435 3.798 20 30 EHEDHN C=C(C)[C@H](NC[C@H](O)COCc1ccccc1)c1ccc(F)c(F)c1 ZINC000187766975 1027555485 /nfs/dbraw/zinc/55/54/85/1027555485.db2.gz PSOKOUQTDPFUOU-PXNSSMCTSA-N 0 3 347.405 3.749 20 30 EHEDHN C=CC(C)(C)CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000455367104 1028073486 /nfs/dbraw/zinc/07/34/86/1028073486.db2.gz NJMWHLKJVKZMOU-KRWDZBQOSA-N 0 3 329.488 3.505 20 30 EHEDHN CCOC(=O)[C@H]1CN(CCCCC(C)(C)C#N)Cc2ccccc21 ZINC000444664610 1028137471 /nfs/dbraw/zinc/13/74/71/1028137471.db2.gz MTKFXPFYPIMYFZ-SFHVURJKSA-N 0 3 328.456 3.869 20 30 EHEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H]1CCCO1 ZINC000444682515 1028152758 /nfs/dbraw/zinc/15/27/58/1028152758.db2.gz AGLWFFKDEIDRJV-OAQYLSRUSA-N 0 3 334.463 3.997 20 30 EHEDHN CCc1cc(OC)ccc1CN(CCOC)Cc1ccc(C#N)cc1 ZINC000503905119 1028191359 /nfs/dbraw/zinc/19/13/59/1028191359.db2.gz VVQWELMBYFOJKP-UHFFFAOYSA-N 0 3 338.451 3.778 20 30 EHEDHN Cc1cc(C(C#N)C(=O)c2ccnc(Oc3ccccc3)c2)nc(C)n1 ZINC000523351484 1028195239 /nfs/dbraw/zinc/19/52/39/1028195239.db2.gz OFQNBCWANHVISD-KRWDZBQOSA-N 0 3 344.374 3.771 20 30 EHEDHN CCCC(=O)Nc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421335271 1028303578 /nfs/dbraw/zinc/30/35/78/1028303578.db2.gz SCFIOOWXQCUDGD-UHFFFAOYSA-N 0 3 325.387 3.726 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2nccc(C#N)c2Cl)C1 ZINC000324083927 1028323487 /nfs/dbraw/zinc/32/34/87/1028323487.db2.gz ZPZMAGXQMSPYDM-OAHLLOKOSA-N 0 3 340.858 3.565 20 30 EHEDHN N#CC1(NC(=O)CN[C@@H](c2ccccc2)C2CCCC2)CCCCC1 ZINC000532714515 1028438789 /nfs/dbraw/zinc/43/87/89/1028438789.db2.gz UIZSDCJLLLCALB-FQEVSTJZSA-N 0 3 339.483 3.850 20 30 EHEDHN Cc1ccc(NC(=O)[C@@H](N)CCCC#N)c(OCc2ccccc2)c1 ZINC000424082279 1028779507 /nfs/dbraw/zinc/77/95/07/1028779507.db2.gz BJLWCSHHDVCBPZ-KRWDZBQOSA-N 0 3 337.423 3.534 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000424064413 1028781824 /nfs/dbraw/zinc/78/18/24/1028781824.db2.gz JYVYWMFSUNDRTA-GOSISDBHSA-N 0 3 331.435 3.508 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000424102680 1028786787 /nfs/dbraw/zinc/78/67/87/1028786787.db2.gz PGMQTIJVIREHPO-CVEARBPZSA-N 0 3 347.871 3.628 20 30 EHEDHN N#CCCC[C@H](N)C(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC000424099221 1028799786 /nfs/dbraw/zinc/79/97/86/1028799786.db2.gz UWOASXLWZDITHY-HNNXBMFYSA-N 0 3 339.443 3.501 20 30 EHEDHN Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424121440 1028816722 /nfs/dbraw/zinc/81/67/22/1028816722.db2.gz ICZKCGZBLCNHIH-SFHVURJKSA-N 0 3 337.423 3.534 20 30 EHEDHN CC(C)(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424134201 1028849456 /nfs/dbraw/zinc/84/94/56/1028849456.db2.gz YBPKJAFMXUNPQB-HZPDHXFCSA-N 0 3 335.879 3.955 20 30 EHEDHN Cc1nc2ccccc2n1C[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000535964764 1029286882 /nfs/dbraw/zinc/28/68/82/1029286882.db2.gz UPIZQHRNPPMBLD-HXUWFJFHSA-N 0 3 347.437 4.000 20 30 EHEDHN N#CCCN(C(=O)CN1CCC[C@@H]1C1CCC1)c1cccc(Cl)c1 ZINC000343123608 1029315000 /nfs/dbraw/zinc/31/50/00/1029315000.db2.gz VBDBCNDXBHHGAB-GOSISDBHSA-N 0 3 345.874 3.851 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(SC)c2C)CC1 ZINC000271700750 1029799197 /nfs/dbraw/zinc/79/91/97/1029799197.db2.gz MJYDUXQRLLKURZ-UHFFFAOYSA-N 0 3 333.501 3.879 20 30 EHEDHN C=CC[C@H](C)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272517510 1029815289 /nfs/dbraw/zinc/81/52/89/1029815289.db2.gz XWUCDWVARMEHMS-LIRRHRJNSA-N 0 3 347.455 3.873 20 30 EHEDHN CCN(CC)[C@@H](CNCc1ccc(C#N)cc1F)c1ccsc1 ZINC000343270848 1030034377 /nfs/dbraw/zinc/03/43/77/1030034377.db2.gz GRXPTYQZADGCGV-SFHVURJKSA-N 0 3 331.460 3.932 20 30 EHEDHN CC[C@H](NCc1ccc(C)c(S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000447561872 1030303770 /nfs/dbraw/zinc/30/37/70/1030303770.db2.gz XJLKKGZYTGGNED-SFHVURJKSA-N 0 3 342.464 3.511 20 30 EHEDHN CC[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(C#N)cc1 ZINC000447581399 1030346866 /nfs/dbraw/zinc/34/68/66/1030346866.db2.gz UJRZDBCMRWDEKW-ZWKOTPCHSA-N 0 3 337.398 3.544 20 30 EHEDHN CCOc1ccccc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000537636915 1030359760 /nfs/dbraw/zinc/35/97/60/1030359760.db2.gz PNNUAUHSAQBEER-UHFFFAOYSA-N 0 3 335.451 3.669 20 30 EHEDHN N#CCC1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000526083712 1030407216 /nfs/dbraw/zinc/40/72/16/1030407216.db2.gz PZMNQLAXBWMBPN-UHFFFAOYSA-N 0 3 341.224 3.593 20 30 EHEDHN N#CCc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000343562581 1031408000 /nfs/dbraw/zinc/40/80/00/1031408000.db2.gz YGJFNDPGKSOOPD-UHFFFAOYSA-N 0 3 331.419 3.668 20 30 EHEDHN C=C(CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000484640710 1031809043 /nfs/dbraw/zinc/80/90/43/1031809043.db2.gz HINZQNPYPWFFOL-NQIIRXRSSA-N 0 3 349.478 3.835 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)C1 ZINC000455911039 1031954283 /nfs/dbraw/zinc/95/42/83/1031954283.db2.gz DHWORBZYCAHARL-JXFKEZNVSA-N 0 3 348.450 3.710 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000573158116 1032005371 /nfs/dbraw/zinc/00/53/71/1032005371.db2.gz LNTFBIVERDTAOW-BLLLJJGKSA-N 0 3 345.830 3.664 20 30 EHEDHN C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594429988 1033367122 /nfs/dbraw/zinc/36/71/22/1033367122.db2.gz YQXCYIDJTRGWNU-SUMWQHHRSA-N 0 3 333.863 3.803 20 30 EHEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594433349 1033371058 /nfs/dbraw/zinc/37/10/58/1033371058.db2.gz OGFUVXKDHCUYSW-FHWLQOOXSA-N 0 3 327.472 3.501 20 30 EHEDHN CC(C)Cc1ccc([C@H](NC(=O)[C@H](N)CCCCC#N)C2CC2)cc1 ZINC000594436589 1033371916 /nfs/dbraw/zinc/37/19/16/1033371916.db2.gz KVPXHMDLNCDDCT-UXHICEINSA-N 0 3 341.499 3.864 20 30 EHEDHN C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)c1c(Cl)cccc1Cl ZINC000594440359 1033374254 /nfs/dbraw/zinc/37/42/54/1033374254.db2.gz YHHBGSIBOWKFDQ-FZMZJTMJSA-N 0 3 342.270 3.624 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000594445763 1033377463 /nfs/dbraw/zinc/37/74/63/1033377463.db2.gz LMCIGQZRPRZMBA-QZTJIDSGSA-N 0 3 331.435 3.584 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000594445762 1033379295 /nfs/dbraw/zinc/37/92/95/1033379295.db2.gz LMCIGQZRPRZMBA-MSOLQXFVSA-N 0 3 331.435 3.584 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000594456845 1033380723 /nfs/dbraw/zinc/38/07/23/1033380723.db2.gz TVIZGSVKRHWNNV-NHCUHLMSSA-N 0 3 347.462 3.868 20 30 EHEDHN CC(C)(C)[C@H](N)c1cn(Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000603189386 1033426936 /nfs/dbraw/zinc/42/69/36/1033426936.db2.gz GKSWPECJPQYGLM-HXUWFJFHSA-N 0 3 345.450 3.911 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)CC1 ZINC000106275260 1033565424 /nfs/dbraw/zinc/56/54/24/1033565424.db2.gz KEFRFLZVNKZPRF-HXUWFJFHSA-N 0 3 341.499 3.882 20 30 EHEDHN COC[C@H](C)Oc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000594937887 1033585423 /nfs/dbraw/zinc/58/54/23/1033585423.db2.gz JOKDAISUBRPXOT-BTYIYWSLSA-N 0 3 336.435 3.749 20 30 EHEDHN CC(C)(C)C(F)(F)CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000595000239 1033626751 /nfs/dbraw/zinc/62/67/51/1033626751.db2.gz IKHVEAMZTVCABL-UHFFFAOYSA-N 0 3 335.442 3.794 20 30 EHEDHN COc1ccc(C2(NCc3ccc(C)c(C#N)c3)CCOCC2)cc1 ZINC000599325912 1033869645 /nfs/dbraw/zinc/86/96/45/1033869645.db2.gz MAOQPWGNMVQGRG-UHFFFAOYSA-N 0 3 336.435 3.671 20 30 EHEDHN C#CCCCN[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000174274167 1033889460 /nfs/dbraw/zinc/88/94/60/1033889460.db2.gz YNDHSXZCGBCACS-HXUWFJFHSA-N 0 3 336.435 3.768 20 30 EHEDHN C#CCOc1ccccc1CNCc1cc(N(C)C)nc2ccccc12 ZINC000174438562 1033948406 /nfs/dbraw/zinc/94/84/06/1033948406.db2.gz XMPHKGIIPRJCQT-UHFFFAOYSA-N 0 3 345.446 3.603 20 30 EHEDHN N#Cc1ccccc1CSCCNCc1cnc2ccccc2n1 ZINC000609006793 1033975273 /nfs/dbraw/zinc/97/52/73/1033975273.db2.gz WZXAWEHYCHCJJI-UHFFFAOYSA-N 0 3 334.448 3.524 20 30 EHEDHN C=CCOc1c(Cl)cc(CN2CCC[C@@H]2C(C)(C)O)cc1OC ZINC000628238008 1034015087 /nfs/dbraw/zinc/01/50/87/1034015087.db2.gz IFGNUXZUABNRJZ-MRXNPFEDSA-N 0 3 339.863 3.649 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc3nc(C(F)F)sc3c2)CC1 ZINC000491220397 1034046469 /nfs/dbraw/zinc/04/64/69/1034046469.db2.gz NAWIKIOANHHRMZ-UHFFFAOYSA-N 0 3 349.406 3.518 20 30 EHEDHN CC[C@H](Cc1ccc(Br)cc1)NC[C@@H](C#N)CCC#N ZINC000596066381 1034069393 /nfs/dbraw/zinc/06/93/93/1034069393.db2.gz NWKPXNDZTDQUHF-GDBMZVCRSA-N 0 3 334.261 3.803 20 30 EHEDHN COc1cccc(SCCN2CCc3c(CC#N)cccc3C2)c1 ZINC000599676875 1034084954 /nfs/dbraw/zinc/08/49/54/1034084954.db2.gz CPAQVMLOIMZEFD-UHFFFAOYSA-N 0 3 338.476 3.912 20 30 EHEDHN CN(C)CCN(CC1CCCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000060062159 1034144078 /nfs/dbraw/zinc/14/40/78/1034144078.db2.gz KYSBUEFLTHTRRV-UHFFFAOYSA-N 0 3 328.460 3.534 20 30 EHEDHN NCc1cccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)n1 ZINC001168410267 1034407591 /nfs/dbraw/zinc/40/75/91/1034407591.db2.gz WVHLLQCZDPNICS-UHFFFAOYSA-N 0 3 327.387 3.717 20 30 EHEDHN C=CCOc1c(Cl)cc(CN(C)CCc2ccccn2)cc1OC ZINC000628237338 1034563246 /nfs/dbraw/zinc/56/32/46/1034563246.db2.gz KFXIJXMPKUIYON-UHFFFAOYSA-N 0 3 346.858 3.983 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3cncc4c3CCCC4)CC2)cc1 ZINC000597179064 1034584412 /nfs/dbraw/zinc/58/44/12/1034584412.db2.gz VRWBKYMYSMJRTR-UHFFFAOYSA-N 0 3 346.478 3.909 20 30 EHEDHN CC1=CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000534471576 1034596552 /nfs/dbraw/zinc/59/65/52/1034596552.db2.gz SOQALLJZEIQGSW-UHFFFAOYSA-N 0 3 343.496 3.869 20 30 EHEDHN N#CC1(C[C@H](O)CN2CC(Cc3ccccc3)(c3ccccc3)C2)CC1 ZINC000601961657 1034840344 /nfs/dbraw/zinc/84/03/44/1034840344.db2.gz YXLMVHLJVPGGAL-NRFANRHFSA-N 0 3 346.474 3.537 20 30 EHEDHN C=CCCCN(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000605977452 1034854363 /nfs/dbraw/zinc/85/43/63/1034854363.db2.gz NRRGKCRTSBTKBE-LJQANCHMSA-N 0 3 329.488 3.821 20 30 EHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccccn1)c1ccc2ccccc2n1 ZINC000685783446 1035058344 /nfs/dbraw/zinc/05/83/44/1035058344.db2.gz WWRHGMBCBPHYQH-AWEZNQCLSA-N 0 3 339.358 3.510 20 30 EHEDHN Cc1nsc(NC[C@@H]2CCCN(Cc3cccs3)C2)c1C#N ZINC000376227495 1035468740 /nfs/dbraw/zinc/46/87/40/1035468740.db2.gz JFDAOOQVWWQYFF-ZDUSSCGKSA-N 0 3 332.498 3.709 20 30 EHEDHN CCCC[C@H](CC)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000463816513 1035871177 /nfs/dbraw/zinc/87/11/77/1035871177.db2.gz TWRBRXYBIJDOIF-IBGZPJMESA-N 0 3 329.488 3.665 20 30 EHEDHN CN(C(=O)CCCCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000588629968 1035921181 /nfs/dbraw/zinc/92/11/81/1035921181.db2.gz NHDBLXRGEJTVAE-IBGZPJMESA-N 0 3 327.472 3.583 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CC(C(C)(C)C)C1 ZINC000457454963 1036119278 /nfs/dbraw/zinc/11/92/78/1036119278.db2.gz KGOFHISIAAWGLG-UHFFFAOYSA-N 0 3 341.499 3.521 20 30 EHEDHN CCCCNC(=O)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443977594 1036139354 /nfs/dbraw/zinc/13/93/54/1036139354.db2.gz IPPKZMULNNWILR-UHFFFAOYSA-N 0 3 335.451 3.686 20 30 EHEDHN COCCOCc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000588927259 1036186249 /nfs/dbraw/zinc/18/62/49/1036186249.db2.gz LYKHOSSMDKZWJT-UHFFFAOYSA-N 0 3 344.842 3.664 20 30 EHEDHN COc1ccc(CN[C@H](C)[C@H](OC)c2ccccc2F)cc1C#N ZINC000272111348 1036273875 /nfs/dbraw/zinc/27/38/75/1036273875.db2.gz XURCXSVKMUFMPN-YJYMSZOUSA-N 0 3 328.387 3.572 20 30 EHEDHN CC(C)(C)SCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130208704 1036439957 /nfs/dbraw/zinc/43/99/57/1036439957.db2.gz XWDDVTWPWGAVIT-SNVBAGLBSA-N 0 3 342.823 3.658 20 30 EHEDHN COC[C@H]1CCCCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000589511883 1036485687 /nfs/dbraw/zinc/48/56/87/1036485687.db2.gz DOHGSQWNKYUWQO-AWEZNQCLSA-N 0 3 326.362 3.826 20 30 EHEDHN C[C@@H](CCC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000541622050 1036510436 /nfs/dbraw/zinc/51/04/36/1036510436.db2.gz LPNSIFLYCVCMNQ-KRWDZBQOSA-N 0 3 343.515 3.911 20 30 EHEDHN C[C@@H](NC1CCN(CC#N)CC1)c1csc(-c2ccccc2F)n1 ZINC000589726704 1036608165 /nfs/dbraw/zinc/60/81/65/1036608165.db2.gz DOHPZQLAJBTABX-CYBMUJFWSA-N 0 3 344.459 3.588 20 30 EHEDHN Cn1c2ccccc2cc(CN[C@H]2CCCc3cc(C#N)ccc32)c1=O ZINC000589949710 1036676441 /nfs/dbraw/zinc/67/64/41/1036676441.db2.gz JKCMQMPCEPDWRH-FQEVSTJZSA-N 0 3 343.430 3.577 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCSc3ccccc32)CC1 ZINC000171555487 1036732936 /nfs/dbraw/zinc/73/29/36/1036732936.db2.gz JYKUMRUDXJPXRO-KRWDZBQOSA-N 0 3 345.512 3.563 20 30 EHEDHN N#CC(C(=O)c1cnc2n1CCC2)c1nc2cc(Cl)ccc2s1 ZINC000659050762 1036984711 /nfs/dbraw/zinc/98/47/11/1036984711.db2.gz KUDKZDNTIHSQID-SNVBAGLBSA-N 0 3 342.811 3.582 20 30 EHEDHN N#Cc1csc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)c1 ZINC000176460409 1037090864 /nfs/dbraw/zinc/09/08/64/1037090864.db2.gz IECMZJRLPCNTIN-OAHLLOKOSA-N 0 3 345.383 3.734 20 30 EHEDHN C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000177541202 1037588829 /nfs/dbraw/zinc/58/88/29/1037588829.db2.gz JTCUECVYVAHFLJ-WIYYLYMNSA-N 0 3 347.462 3.811 20 30 EHEDHN CC(C)c1ccc([C@@H](NCC(=O)N[C@](C)(C#N)C2CC2)C(C)C)cc1 ZINC000007804185 1037623603 /nfs/dbraw/zinc/62/36/03/1037623603.db2.gz DAONRNXCCMLAEL-LEWJYISDSA-N 0 3 341.499 3.905 20 30 EHEDHN C=CCc1ccc(OC[C@H](O)CN[C@H](C)c2ccsc2)c(OC)c1 ZINC000669939668 1037678598 /nfs/dbraw/zinc/67/85/98/1037678598.db2.gz YBCOWFPKSVZBBC-RHSMWYFYSA-N 0 3 347.480 3.576 20 30 EHEDHN C#CCCCCCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000780545524 1037717532 /nfs/dbraw/zinc/71/75/32/1037717532.db2.gz HSQQCPIWLHZHSR-FQEVSTJZSA-N 0 3 326.484 3.914 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000454175144 1037922653 /nfs/dbraw/zinc/92/26/53/1037922653.db2.gz QYIJHINJBWXTEP-KRWDZBQOSA-N 0 3 348.450 3.544 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC2(c3ccc(F)cc3)CCC2)CC1 ZINC000592352528 1037931842 /nfs/dbraw/zinc/93/18/42/1037931842.db2.gz CEHUFSVXJUAIKB-UHFFFAOYSA-N 0 3 345.462 3.545 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](CCC)CCc2ccccc2)CC1 ZINC000173197345 1037971563 /nfs/dbraw/zinc/97/15/63/1037971563.db2.gz IXUBFJJMHNDTDA-IBGZPJMESA-N 0 3 343.515 3.738 20 30 EHEDHN CN(C)[C@@H](CNc1nc2cc(Cl)ccn2c1C#N)c1cccs1 ZINC000341354109 1037977456 /nfs/dbraw/zinc/97/74/56/1037977456.db2.gz WERPTRBJOFZSJT-ZDUSSCGKSA-N 0 3 345.859 3.636 20 30 EHEDHN CN(C)[C@H](CNc1nc2cc(Cl)ccn2c1C#N)c1cccs1 ZINC000341354108 1037992528 /nfs/dbraw/zinc/99/25/28/1037992528.db2.gz WERPTRBJOFZSJT-CYBMUJFWSA-N 0 3 345.859 3.636 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000540567581 1038086195 /nfs/dbraw/zinc/08/61/95/1038086195.db2.gz LRCCPACMPRHUOY-MRXNPFEDSA-N 0 3 335.467 3.644 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC=CCCC1 ZINC001125870606 1038382875 /nfs/dbraw/zinc/38/28/75/1038382875.db2.gz JIDQGVWXEHXNQC-FQEVSTJZSA-N 0 3 339.483 3.585 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000416681458 1038893513 /nfs/dbraw/zinc/89/35/13/1038893513.db2.gz GNSHAEXZZGQBRF-MRXNPFEDSA-N 0 3 341.499 3.965 20 30 EHEDHN C=CCC1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CCC1 ZINC000479929900 1038905902 /nfs/dbraw/zinc/90/59/02/1038905902.db2.gz LFUJFOXTYIJOGL-LJQANCHMSA-N 0 3 326.484 3.995 20 30 EHEDHN Cc1cccc2c1CC[C@@H]2N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485332249 1038919996 /nfs/dbraw/zinc/91/99/96/1038919996.db2.gz QNGKALJXPJYJLT-SFTDATJTSA-N 0 3 345.446 3.639 20 30 EHEDHN N#Cc1ccc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c(F)c1 ZINC000500548853 1038965958 /nfs/dbraw/zinc/96/59/58/1038965958.db2.gz WANGUJWCHJBINU-LJQANCHMSA-N 0 3 344.817 3.842 20 30 EHEDHN Cc1csc(C2(NCCOc3ccccc3C#N)CCCC2)n1 ZINC000175021084 1039002303 /nfs/dbraw/zinc/00/23/03/1039002303.db2.gz FSCQOUXGPCVTOD-UHFFFAOYSA-N 0 3 327.453 3.761 20 30 EHEDHN CC[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000011048064 1039204926 /nfs/dbraw/zinc/20/49/26/1039204926.db2.gz ASUHLMHVHZPKSJ-OWQGQXMQSA-N 0 3 335.879 3.824 20 30 EHEDHN Cc1ccccc1[C@@H](C(C)C)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000488739719 1039365748 /nfs/dbraw/zinc/36/57/48/1039365748.db2.gz MKJLMOHLRXQSJY-HXUWFJFHSA-N 0 3 341.499 3.967 20 30 EHEDHN C[C@H](CCN1CCC(C#N)(c2ccccn2)CC1)OCc1ccccc1 ZINC000554565233 1039480531 /nfs/dbraw/zinc/48/05/31/1039480531.db2.gz GOQDBSHXWQHXNW-LJQANCHMSA-N 0 3 349.478 3.934 20 30 EHEDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000489361926 1039900216 /nfs/dbraw/zinc/90/02/16/1039900216.db2.gz TZFWBBMCIOTFBP-OLZOCXBDSA-N 0 3 333.501 3.803 20 30 EHEDHN Cc1cc(C(C#N)C(=O)c2csc3c2CC[C@H](C)C3)nc(C)n1 ZINC000075442540 1040355001 /nfs/dbraw/zinc/35/50/01/1040355001.db2.gz FBGPKMPOXASPQA-HZMBPMFUSA-N 0 3 325.437 3.770 20 30 EHEDHN C[C@@H]1CCC[C@H](NC(=O)CN[C@@H](CCCC#N)c2ccccc2)[C@H]1C ZINC000433029608 1040505038 /nfs/dbraw/zinc/50/50/38/1040505038.db2.gz HCCOFVOYYGPVCL-UMGGQSCQSA-N 0 3 341.499 3.952 20 30 EHEDHN Cc1occc1C(=O)NC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411219022 1040598435 /nfs/dbraw/zinc/59/84/35/1040598435.db2.gz PHHNPJVUFYSNPJ-UHFFFAOYSA-N 0 3 343.471 3.646 20 30 EHEDHN COc1ccccc1[C@@H](CNc1cc(C)nc(C#N)c1)N1CCCC1 ZINC000586976711 1041087106 /nfs/dbraw/zinc/08/71/06/1041087106.db2.gz HWKSSPMZYMCSLJ-LJQANCHMSA-N 0 3 336.439 3.519 20 30 EHEDHN C=C(C)CN(CC)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000512908214 1041221298 /nfs/dbraw/zinc/22/12/98/1041221298.db2.gz ZSDKBGVECALPMT-IBGZPJMESA-N 0 3 347.503 3.684 20 30 EHEDHN C=CC1CCN(CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000111258554 1041536713 /nfs/dbraw/zinc/53/67/13/1041536713.db2.gz QLBLMKORTAEGCH-UHFFFAOYSA-N 0 3 349.478 3.682 20 30 EHEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000432092595 1041582320 /nfs/dbraw/zinc/58/23/20/1041582320.db2.gz PTOFFKSSAQZIKL-FUHWJXTLSA-N 0 3 329.488 3.723 20 30 EHEDHN C[C@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1(C)C ZINC000759924652 1041720482 /nfs/dbraw/zinc/72/04/82/1041720482.db2.gz YDEDRELOMAUELH-HOCLYGCPSA-N 0 3 348.450 3.592 20 30 EHEDHN C[C@H](C1CC1)N(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000246852449 1042515069 /nfs/dbraw/zinc/51/50/69/1042515069.db2.gz BXCLMIWNDYDQDN-UONOGXRCSA-N 0 3 331.485 3.607 20 30 EHEDHN CC(C)(CNC(=O)[C@@H](N)CCCCC#N)c1ccc2ccccc2c1 ZINC000602571168 1042718092 /nfs/dbraw/zinc/71/80/92/1042718092.db2.gz FLHKNPZWDDCZKW-IBGZPJMESA-N 0 3 337.467 3.645 20 30 EHEDHN CC[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000343905780 1042782470 /nfs/dbraw/zinc/78/24/70/1042782470.db2.gz KTNNZHIZAHTWMP-IRXDYDNUSA-N 0 3 345.462 3.973 20 30 EHEDHN CC[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000343915610 1042820188 /nfs/dbraw/zinc/82/01/88/1042820188.db2.gz XAEUCHNNHWBBKV-QZTJIDSGSA-N 0 3 327.472 3.834 20 30 EHEDHN Cc1csc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1C#N ZINC000568763071 1042857805 /nfs/dbraw/zinc/85/78/05/1042857805.db2.gz CRBFVAYJYQCMAG-CJNGLKHVSA-N 0 3 342.468 3.741 20 30 EHEDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccccc1C(C)(C)C#N ZINC000178532902 1043036401 /nfs/dbraw/zinc/03/64/01/1043036401.db2.gz IZXNEGWLPMMJDW-HNNXBMFYSA-N 0 3 345.487 3.833 20 30 EHEDHN C=C(C)CN(CCCc1ccccc1OC)Cc1ccc(CO)o1 ZINC000512214864 1044183692 /nfs/dbraw/zinc/18/36/92/1044183692.db2.gz XHZBTOQNMKOHRQ-UHFFFAOYSA-N 0 3 329.440 3.791 20 30 EHEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279701699 1044430497 /nfs/dbraw/zinc/43/04/97/1044430497.db2.gz RHUYVALSVJAXFI-UHFFFAOYSA-N 0 3 349.478 3.692 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](c2ccccc2)C(C)C)CC1 ZINC000171870884 1126768022 /nfs/dbraw/zinc/76/80/22/1126768022.db2.gz BKDMWWORPBROGR-LJQANCHMSA-N 0 3 329.488 3.676 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000622840981 1126795823 /nfs/dbraw/zinc/79/58/23/1126795823.db2.gz ACJNTGMSSCASMT-FPOVZHCZSA-N 0 3 344.499 3.511 20 30 EHEDHN C=CCC[C@@H](NCc1cc(=O)n2cccc(C)c2n1)c1ccccc1 ZINC000180050949 1127114126 /nfs/dbraw/zinc/11/41/26/1127114126.db2.gz GNKPJOXBYHINSU-LJQANCHMSA-N 0 3 333.435 3.800 20 30 EHEDHN Cc1ccccc1[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(C)(C)C ZINC000180086220 1127119038 /nfs/dbraw/zinc/11/90/38/1127119038.db2.gz QTBXTJBVPXCINS-AZUAARDMSA-N 0 3 329.488 3.726 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000180288666 1127140813 /nfs/dbraw/zinc/14/08/13/1127140813.db2.gz DWYBWOXXXKALJN-YWZLYKJASA-N 0 3 345.462 3.655 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000181005903 1127263722 /nfs/dbraw/zinc/26/37/22/1127263722.db2.gz VRLAFYOFIKIULU-FOIQADDNSA-N 0 3 345.462 3.655 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000181005885 1127263762 /nfs/dbraw/zinc/26/37/62/1127263762.db2.gz VRLAFYOFIKIULU-MGPUTAFESA-N 0 3 345.462 3.655 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000181061666 1127265624 /nfs/dbraw/zinc/26/56/24/1127265624.db2.gz NBQXFIVYFLWAQU-KBXCAEBGSA-N 0 3 333.451 3.511 20 30 EHEDHN C[C@@](C#N)(NC(=O)CN[C@@H](CC1CCCC1)c1ccccc1)C1CC1 ZINC000181940523 1127303862 /nfs/dbraw/zinc/30/38/62/1127303862.db2.gz FADSKDUPBDPKKB-FPOVZHCZSA-N 0 3 339.483 3.706 20 30 EHEDHN C[C@](C#N)(NC(=O)CN[C@@H](CC1CCCC1)c1ccccc1)C1CC1 ZINC000181940499 1127303974 /nfs/dbraw/zinc/30/39/74/1127303974.db2.gz FADSKDUPBDPKKB-PZJWPPBQSA-N 0 3 339.483 3.706 20 30 EHEDHN C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1cc2ccccc2s1 ZINC000184361496 1127402672 /nfs/dbraw/zinc/40/26/72/1127402672.db2.gz GWBHTBKRYFNAGG-AWEZNQCLSA-N 0 3 341.480 3.895 20 30 EHEDHN Cn1cc(-c2ccc(CNC3(c4cccc(C#N)c4)CC3)s2)cn1 ZINC000282174789 1128032050 /nfs/dbraw/zinc/03/20/50/1128032050.db2.gz FNLGBWWSCLYVHM-UHFFFAOYSA-N 0 3 334.448 3.799 20 30 EHEDHN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(C#N)cc3C)ccc2NC1=O ZINC000186322812 1128388105 /nfs/dbraw/zinc/38/81/05/1128388105.db2.gz IUBXWOMZIKPHFV-KUHUBIRLSA-N 0 3 349.434 3.827 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCC2CCCCC2)cc1 ZINC000131641787 1128493240 /nfs/dbraw/zinc/49/32/40/1128493240.db2.gz SEQGXTYGMLPMTO-QGZVFWFLSA-N 0 3 328.412 3.703 20 30 EHEDHN CN1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)[C@H]1c1ccccc1 ZINC000301829276 1128607061 /nfs/dbraw/zinc/60/70/61/1128607061.db2.gz GTXOJTDYDOTJDA-GOEBONIOSA-N 0 3 346.356 3.829 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000111246652 1128855558 /nfs/dbraw/zinc/85/55/58/1128855558.db2.gz LQNHJLGLSSKJRM-UZLBHIALSA-N 0 3 327.472 3.516 20 30 EHEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCc2ccccc2C1 ZINC000075744206 1128878459 /nfs/dbraw/zinc/87/84/59/1128878459.db2.gz XLLNLGLZBNYKAZ-LJQANCHMSA-N 0 3 344.418 3.598 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000130272319 1120436188 /nfs/dbraw/zinc/43/61/88/1120436188.db2.gz LNUABYWVQHJSNG-UHFFFAOYSA-N 0 3 327.815 3.834 20 30 EHEDHN CCOCCC1(CNCc2cc(C#N)ccc2Br)CC1 ZINC000921925795 1128921278 /nfs/dbraw/zinc/92/12/78/1128921278.db2.gz YLWPXQCFWZOONR-UHFFFAOYSA-N 0 3 337.261 3.617 20 30 EHEDHN N#Cc1c(Cl)nsc1NC1CCN(CCc2ccccc2)CC1 ZINC000076711175 1128944353 /nfs/dbraw/zinc/94/43/53/1128944353.db2.gz XKACDVGEFGLPCI-UHFFFAOYSA-N 0 3 346.887 3.787 20 30 EHEDHN CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000495034125 1120935989 /nfs/dbraw/zinc/93/59/89/1120935989.db2.gz ZNYPFOVXAHEDFP-UHFFFAOYSA-N 0 3 343.471 3.584 20 30 EHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000495140763 1120967456 /nfs/dbraw/zinc/96/74/56/1120967456.db2.gz QKOJYMALVSHSOI-HNNXBMFYSA-N 0 3 335.407 3.560 20 30 EHEDHN CC(C)C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1cccs1 ZINC000542555288 1121128895 /nfs/dbraw/zinc/12/88/95/1121128895.db2.gz BZLUTCWPESYHGW-QGZVFWFLSA-N 0 3 341.480 3.613 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171718106 1121504970 /nfs/dbraw/zinc/50/49/70/1121504970.db2.gz UISJSZCDLRDKLW-UHFFFAOYSA-N 0 3 345.446 3.768 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(Cc1cccs1)C1CC1 ZINC000077250465 1129003955 /nfs/dbraw/zinc/00/39/55/1129003955.db2.gz WTKXFYJAADDYNU-UHFFFAOYSA-N 0 3 328.437 3.672 20 30 EHEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000125965451 1122368146 /nfs/dbraw/zinc/36/81/46/1122368146.db2.gz OATDGBKUOBYSLU-AWEZNQCLSA-N 0 3 331.485 3.541 20 30 EHEDHN Cc1ccc(OCCCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000916898456 1122381080 /nfs/dbraw/zinc/38/10/80/1122381080.db2.gz DGTDEJKTXFQIKD-GOSISDBHSA-N 0 3 336.391 3.502 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](CC2CCCC2)c2ccccc2)CC1 ZINC000154274575 1122490021 /nfs/dbraw/zinc/49/00/21/1122490021.db2.gz NEQHZONAHTTXEE-OAQYLSRUSA-N 0 3 338.495 3.769 20 30 EHEDHN C#CCN(C[C@@H](O)c1ccc(F)c(F)c1)[C@@H]1CCc2ccccc21 ZINC000917119315 1122513064 /nfs/dbraw/zinc/51/30/64/1122513064.db2.gz ZGQYANHTAFPJSG-WOJBJXKFSA-N 0 3 327.374 3.621 20 30 EHEDHN CC(C)(C#N)CCN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000131820806 1123183431 /nfs/dbraw/zinc/18/34/31/1123183431.db2.gz IDUUHGYMBYHGOU-KRWDZBQOSA-N 0 3 328.460 3.602 20 30 EHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCSC(C)(C)C ZINC000155142978 1123247773 /nfs/dbraw/zinc/24/77/73/1123247773.db2.gz CFCDUTCKQYIHSJ-CYBMUJFWSA-N 0 3 348.468 3.654 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000920173039 1123331899 /nfs/dbraw/zinc/33/18/99/1123331899.db2.gz NOQCYFGPKYFMJV-ZHZULCJRSA-N 0 3 341.411 3.808 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCOc2ccccc2F)c([O-])c1 ZINC000920942228 1123441153 /nfs/dbraw/zinc/44/11/53/1123441153.db2.gz SPMBPEPKWYKAMI-KGENOOAVSA-N 0 3 330.403 3.875 20 30 EHEDHN CCOc1ccc(/C=N/C[C@@H](c2ccco2)N(CC)CC)c(O)c1 ZINC000921261025 1123500833 /nfs/dbraw/zinc/50/08/33/1123500833.db2.gz KVGYNTANGPNRDK-NNIWKIFQSA-N 0 3 330.428 3.886 20 30 EHEDHN COc1ccccc1[C@@H](CNCc1csc(C#N)c1)N1CCCC1 ZINC000921477768 1123548491 /nfs/dbraw/zinc/54/84/91/1123548491.db2.gz QOMDGNYALXPZJM-GOSISDBHSA-N 0 3 341.480 3.555 20 30 EHEDHN N#Cc1ccc(N2CCC(NCc3cccc(F)c3F)CC2)cc1 ZINC000609354106 1123553761 /nfs/dbraw/zinc/55/37/61/1123553761.db2.gz LZGATTKNSLJSBG-UHFFFAOYSA-N 0 3 327.378 3.595 20 30 EHEDHN CC(C)c1ccc(C(C)(C)NCC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000609358711 1123561991 /nfs/dbraw/zinc/56/19/91/1123561991.db2.gz UZSRNWCRHXMGHS-FQEVSTJZSA-N 0 3 329.488 3.689 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175096337 1123592845 /nfs/dbraw/zinc/59/28/45/1123592845.db2.gz DVDOPNQEONXODJ-MNOVXSKESA-N 0 3 326.849 3.520 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175096297 1123593141 /nfs/dbraw/zinc/59/31/41/1123593141.db2.gz DVDOPNQEONXODJ-QWRGUYRKSA-N 0 3 326.849 3.520 20 30 EHEDHN Cc1ccc(F)c(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000609740944 1123655019 /nfs/dbraw/zinc/65/50/19/1123655019.db2.gz FBOYYTUBSDDLLD-KRWDZBQOSA-N 0 3 341.405 3.904 20 30 EHEDHN C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@H](C)CN1Cc1ccccc1 ZINC000499651057 1129157712 /nfs/dbraw/zinc/15/77/12/1129157712.db2.gz AAVSBZMZGPKTDW-HUUCEWRRSA-N 0 3 340.858 3.706 20 30 EHEDHN C[C@@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(OCC#N)cc1 ZINC000180411510 1123997504 /nfs/dbraw/zinc/99/75/04/1123997504.db2.gz QYMXFIFFNUOGCR-MRXNPFEDSA-N 0 3 346.434 3.840 20 30 EHEDHN C[C@@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(C#N)c(F)c1 ZINC000272803998 1124638897 /nfs/dbraw/zinc/63/88/97/1124638897.db2.gz BXKUNJADWHFIEH-CYBMUJFWSA-N 0 3 339.370 3.505 20 30 EHEDHN COCC1(N(C)CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000618291115 1125039546 /nfs/dbraw/zinc/03/95/46/1125039546.db2.gz ZLBQECFDUPUDJS-UHFFFAOYSA-N 0 3 334.463 3.997 20 30 EHEDHN C=CCCCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000735532103 1131355496 /nfs/dbraw/zinc/35/54/96/1131355496.db2.gz IZPDKAAUNXNIQC-LBPRGKRZSA-N 0 3 342.222 3.856 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CSc4ccccc43)nc21 ZINC000735792600 1131380608 /nfs/dbraw/zinc/38/06/08/1131380608.db2.gz MYZNVUXXTAENCV-KGLIPLIRSA-N 0 3 333.416 3.937 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CSc4ccccc43)[nH]c21 ZINC000735792600 1131380612 /nfs/dbraw/zinc/38/06/12/1131380612.db2.gz MYZNVUXXTAENCV-KGLIPLIRSA-N 0 3 333.416 3.937 20 30 EHEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cnc2ccc(C#N)cn12 ZINC000093561710 1129594197 /nfs/dbraw/zinc/59/41/97/1129594197.db2.gz YXDXFCROIHQCOE-RHSMWYFYSA-N 0 3 334.398 3.723 20 30 EHEDHN C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@@H]1c1ccccc1 ZINC000093668257 1129598391 /nfs/dbraw/zinc/59/83/91/1129598391.db2.gz IPLCZEWRMYERGP-UZLBHIALSA-N 0 3 330.435 3.832 20 30 EHEDHN Cc1c([C@H](C)NCC2CCC(C#N)CC2)nnn1-c1ccc(C)cc1 ZINC000282409615 1129720036 /nfs/dbraw/zinc/72/00/36/1129720036.db2.gz SCRQMQGEDXPAAH-ZLPCBKJTSA-N 0 3 337.471 3.865 20 30 EHEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000134089398 1129979274 /nfs/dbraw/zinc/97/92/74/1129979274.db2.gz HYLCENCBEOVWJX-QAPCUYQASA-N 0 3 343.471 3.683 20 30 EHEDHN CC1(C)CN(Cc2ccc(OCC#N)cc2)CCN1Cc1ccccc1 ZINC000731212836 1130777569 /nfs/dbraw/zinc/77/75/69/1130777569.db2.gz MBBVRRVYTIRKLC-UHFFFAOYSA-N 0 3 349.478 3.685 20 30 EHEDHN N#CC(C(=O)C[C@H]1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000732596068 1130937270 /nfs/dbraw/zinc/93/72/70/1130937270.db2.gz IXBPEWFWFPTBCS-HNAYVOBHSA-N 0 3 332.403 3.529 20 30 EHEDHN CC(C)n1cc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)cn1 ZINC000732820283 1130959282 /nfs/dbraw/zinc/95/92/82/1130959282.db2.gz HAJGIHFJPFPFOE-MRXNPFEDSA-N 0 3 325.460 3.665 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000739143250 1131493342 /nfs/dbraw/zinc/49/33/42/1131493342.db2.gz HXDLUQDIOJFGFN-AEFFLSMTSA-N 0 3 328.456 3.894 20 30 EHEDHN CC[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1c(C)nn(C)c1C ZINC000742388032 1131713825 /nfs/dbraw/zinc/71/38/25/1131713825.db2.gz OEYIRILMOOCNCF-LJQANCHMSA-N 0 3 339.487 3.628 20 30 EHEDHN C[C@H](CCCC#N)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001172499115 1131760131 /nfs/dbraw/zinc/76/01/31/1131760131.db2.gz VARUBOYETQCPHD-OAHLLOKOSA-N 0 3 333.863 3.570 20 30 EHEDHN C=CCN1CCC[C@H](N[C@@H](C)CSc2ccc(Cl)cc2)C1=O ZINC001172877495 1131895248 /nfs/dbraw/zinc/89/52/48/1131895248.db2.gz FKKSWNHKXWPXFD-BBRMVZONSA-N 0 3 338.904 3.587 20 30 EHEDHN Cc1cccc2c1CN([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172980833 1131925480 /nfs/dbraw/zinc/92/54/80/1131925480.db2.gz QAGAWGPHVNRSCF-IRXDYDNUSA-N 0 3 341.455 3.602 20 30 EHEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C1CCC(C)(C#N)CC1 ZINC001173594060 1132099817 /nfs/dbraw/zinc/09/98/17/1132099817.db2.gz QJTUUFBGNKDNKR-JOUKPKRSSA-N 0 3 335.492 3.789 20 30 EHEDHN CC(C)(NCC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCCO1 ZINC001175530601 1132701873 /nfs/dbraw/zinc/70/18/73/1132701873.db2.gz DORVUTBSQAUOEM-MRXNPFEDSA-N 0 3 341.373 3.874 20 30 EHEDHN C#C[C@](C)(CC)Nc1ccc(CN2CCN(C(C)C)CC2)cc1F ZINC001169700069 1132826882 /nfs/dbraw/zinc/82/68/82/1132826882.db2.gz GWZNJHDNEWOIBL-HXUWFJFHSA-N 0 3 331.479 3.566 20 30 EHEDHN Cc1cc(CNCc2ccc(N3CCSCC3)cc2)ccc1C#N ZINC000767681476 1133038249 /nfs/dbraw/zinc/03/82/49/1133038249.db2.gz NYXKNQFEMGAAPC-UHFFFAOYSA-N 0 3 337.492 3.710 20 30 EHEDHN CC[C@H](CSC)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000773702800 1133094329 /nfs/dbraw/zinc/09/43/29/1133094329.db2.gz RKFXAVFERYWUQA-OLZOCXBDSA-N 0 3 347.509 3.546 20 30 EHEDHN C#CCOc1cccc(-c2noc([C@H](C)N3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000785585675 1133723356 /nfs/dbraw/zinc/72/33/56/1133723356.db2.gz MZEOQGOXXWOLDY-ZNMIVQPWSA-N 0 3 325.412 3.682 20 30 EHEDHN N#Cc1ccc(F)cc1COC(=O)c1cccc(CN2CCCC2)c1 ZINC000785721589 1133741691 /nfs/dbraw/zinc/74/16/91/1133741691.db2.gz BURIJDPSCLRPLS-UHFFFAOYSA-N 0 3 338.382 3.650 20 30 EHEDHN C[C@@H](N[C@@H](C)c1csc2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000786781227 1133902051 /nfs/dbraw/zinc/90/20/51/1133902051.db2.gz AQDVPYOSWRPHAW-QWHCGFSZSA-N 0 3 327.453 3.503 20 30 EHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(N2CCOC2=O)c1 ZINC000787030000 1133941180 /nfs/dbraw/zinc/94/11/80/1133941180.db2.gz ZLTXYZASWITQNL-VLIAUNLRSA-N 0 3 347.418 3.853 20 30 EHEDHN C#CCC1(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CCCCC1 ZINC000788233626 1134103870 /nfs/dbraw/zinc/10/38/70/1134103870.db2.gz WHYRSPPAWZLJOK-QUCCMNQESA-N 0 3 338.495 3.739 20 30 EHEDHN N#C[C@@H](c1ccccc1)N1CCN(c2ccnc3ccccc32)CC1 ZINC001170128688 1134375415 /nfs/dbraw/zinc/37/54/15/1134375415.db2.gz QWWXPMCHALFSBF-NRFANRHFSA-N 0 3 328.419 3.622 20 30 EHEDHN CC(C)(C)c1ccccc1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001189571721 1134601986 /nfs/dbraw/zinc/60/19/86/1134601986.db2.gz LUBZFRHEHQYCBY-OAHLLOKOSA-N 0 3 330.453 3.790 20 30 EHEDHN CC1(C)CN(Cc2ccc(OCC#N)cc2)CC[C@@H]1C(F)(F)F ZINC000792353797 1134680454 /nfs/dbraw/zinc/68/04/54/1134680454.db2.gz BUCVRAUAVAUDCZ-HNNXBMFYSA-N 0 3 326.362 3.999 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000796738631 1134683747 /nfs/dbraw/zinc/68/37/47/1134683747.db2.gz LSTXPBLMGSQXOC-SDDRHHMPSA-N 0 3 335.329 3.728 20 30 EHEDHN C#CC[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000775400339 1134725669 /nfs/dbraw/zinc/72/56/69/1134725669.db2.gz ZFULXDVOBFEDCZ-NRFANRHFSA-N 0 3 332.447 3.777 20 30 EHEDHN N#CC1(c2ccccc2)CCC(N2CC(N3CCC(F)CC3)C2)CC1 ZINC001170389481 1134762925 /nfs/dbraw/zinc/76/29/25/1134762925.db2.gz UQKVPZGQJLYENY-UHFFFAOYSA-N 0 3 341.474 3.509 20 30 EHEDHN CCCCCCCNC(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001191123574 1134797567 /nfs/dbraw/zinc/79/75/67/1134797567.db2.gz PRFPGXKBMDWWPZ-UHFFFAOYSA-N 0 3 346.519 3.563 20 30 EHEDHN N#Cc1cc(Cl)cc(CN(CCO)[C@H]2CCc3ccccc32)c1 ZINC001191304988 1134843967 /nfs/dbraw/zinc/84/39/67/1134843967.db2.gz DYWNWGVZLGMHPO-IBGZPJMESA-N 0 3 326.827 3.693 20 30 EHEDHN CC[C@H](C)CN(CC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001191375493 1134860075 /nfs/dbraw/zinc/86/00/75/1134860075.db2.gz ULQBGWCXULBFFM-INIZCTEOSA-N 0 3 329.488 3.918 20 30 EHEDHN N#Cc1cccc([C@H](O)CN2CCC(Cc3ccccc3F)CC2)c1 ZINC001191522055 1134879589 /nfs/dbraw/zinc/87/95/89/1134879589.db2.gz ZRFRWELESLKSQE-OAQYLSRUSA-N 0 3 338.426 3.685 20 30 EHEDHN CCOc1cccc(/C=N/C[C@@H](c2cccc(OC)c2)N(C)C)c1O ZINC000005292340 1134921027 /nfs/dbraw/zinc/92/10/27/1134921027.db2.gz TYKYRTSCNZDGBJ-LANLRWRYSA-N 0 3 342.439 3.521 20 30 EHEDHN CC(C)P(CCNC(=O)c1c(F)cc(C#N)cc1F)C(C)C ZINC001191949416 1134945500 /nfs/dbraw/zinc/94/55/00/1134945500.db2.gz HRQHYOGTUSKSEJ-UHFFFAOYSA-N 0 3 326.327 3.865 20 30 EHEDHN CC[C@@H]1Cc2ccccc2CN1CCOc1ccc(C#N)cc1OC ZINC001193117225 1135103527 /nfs/dbraw/zinc/10/35/27/1135103527.db2.gz KYEGTDJNDRNYLN-LJQANCHMSA-N 0 3 336.435 3.783 20 30 EHEDHN C=CC[C@H]1N(CC(=O)NCc2ccc(CC)s2)CCCC1(C)C ZINC001193920056 1135204178 /nfs/dbraw/zinc/20/41/78/1135204178.db2.gz IZXUPEHQOUVKAJ-QGZVFWFLSA-N 0 3 334.529 3.993 20 30 EHEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC001194505048 1135278895 /nfs/dbraw/zinc/27/88/95/1135278895.db2.gz JIQPXUCDEUEGMA-SFTDATJTSA-N 0 3 326.484 3.816 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCCCC#N ZINC000805856475 1135340236 /nfs/dbraw/zinc/34/02/36/1135340236.db2.gz WBTTYXYKIWVQSA-KRWDZBQOSA-N 0 3 339.439 3.933 20 30 EHEDHN C=CC[C@@H](CCc1ccccc1)OC(=O)C1CCN(C2CC2)CC1 ZINC000805947564 1135354167 /nfs/dbraw/zinc/35/41/67/1135354167.db2.gz PLGGFWWKZGCYAA-FQEVSTJZSA-N 0 3 327.468 3.982 20 30 EHEDHN COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(C)c1[O-] ZINC000775656543 1135424068 /nfs/dbraw/zinc/42/40/68/1135424068.db2.gz JRXZOYULWMBPBC-UHFFFAOYSA-N 0 3 344.842 3.874 20 30 EHEDHN COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(C)c1[O-] ZINC000775656543 1135424073 /nfs/dbraw/zinc/42/40/73/1135424073.db2.gz JRXZOYULWMBPBC-UHFFFAOYSA-N 0 3 344.842 3.874 20 30 EHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(C)c1O ZINC000775656543 1135424075 /nfs/dbraw/zinc/42/40/75/1135424075.db2.gz JRXZOYULWMBPBC-UHFFFAOYSA-N 0 3 344.842 3.874 20 30 EHEDHN C=CC[C@H]1CCCN(CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)C1 ZINC001195946835 1135499009 /nfs/dbraw/zinc/49/90/09/1135499009.db2.gz OLNXDEHZEYQTCE-HRAATJIYSA-N 0 3 342.483 3.551 20 30 EHEDHN C#CC[C@H](NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000807029816 1135514045 /nfs/dbraw/zinc/51/40/45/1135514045.db2.gz HKAQGZDUKSGORH-DZFGPLHGSA-N 0 3 349.478 3.742 20 30 EHEDHN C=CCc1cc(CN(C)Cc2ccccc2N(C)C)c(O)c(OC)c1 ZINC000808236151 1135639411 /nfs/dbraw/zinc/63/94/11/1135639411.db2.gz VYQURSGQDWZGJD-UHFFFAOYSA-N 0 3 340.467 3.827 20 30 EHEDHN C[C@@]1(Cc2cccs2)CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001198301970 1135797634 /nfs/dbraw/zinc/79/76/34/1135797634.db2.gz ZRRUVZUVXWWEBW-IBGZPJMESA-N 0 3 339.464 3.655 20 30 EHEDHN C[C@@]12CSC[C@@H]1CN(CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001198466603 1135817919 /nfs/dbraw/zinc/81/79/19/1135817919.db2.gz BKRFGMQWNXCESU-GOEBONIOSA-N 0 3 341.398 3.622 20 30 EHEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1cc(Cl)ccc1OCC#N ZINC000775873146 1135833860 /nfs/dbraw/zinc/83/38/60/1135833860.db2.gz ZPMBJLTXZLFMPP-FUHWJXTLSA-N 0 3 336.863 3.926 20 30 EHEDHN C#C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000809684292 1135871274 /nfs/dbraw/zinc/87/12/74/1135871274.db2.gz XLDQTZBWZBZDIU-INIZCTEOSA-N 0 3 331.419 3.659 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(-n2ccnc2)c(F)c1 ZINC001199700967 1135924726 /nfs/dbraw/zinc/92/47/26/1135924726.db2.gz MSPVQINVONJMNI-UHFFFAOYSA-N 0 3 334.398 3.790 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H]1CCCSC1 ZINC000810529421 1135970498 /nfs/dbraw/zinc/97/04/98/1135970498.db2.gz GMTWUCMRGGESJN-CVEARBPZSA-N 0 3 344.480 3.602 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1cccc(Cl)c1Cl ZINC001201023373 1135973988 /nfs/dbraw/zinc/97/39/88/1135973988.db2.gz OOYASTPZDDNTGT-NSHDSACASA-N 0 3 344.311 3.930 20 30 EHEDHN C=CCOCc1nn(CC2CC2)c2c1CN(C[C@H]1CC=CCC1)CC2 ZINC001201409834 1136021210 /nfs/dbraw/zinc/02/12/10/1136021210.db2.gz DWXPSYVSMGABGC-KRWDZBQOSA-N 0 3 341.499 3.710 20 30 EHEDHN CCCCCCCCCCS(=O)(=O)N[C@H]1CCCN(C)CC1 ZINC001201839273 1136069729 /nfs/dbraw/zinc/06/97/29/1136069729.db2.gz UKFROVGBERMFDC-KRWDZBQOSA-N 0 3 332.554 3.531 20 30 EHEDHN CCc1ccc([C@@H](C/N=C\c2c(O)cccc2OC)N(C)C)cc1 ZINC000812395519 1136203727 /nfs/dbraw/zinc/20/37/27/1136203727.db2.gz BWONOPPUCNQVPG-LZAZYHHXSA-N 0 3 326.440 3.685 20 30 EHEDHN CCc1ccc([C@@H](C/N=C/c2c(O)cccc2OC)N(C)C)cc1 ZINC000812395517 1136203743 /nfs/dbraw/zinc/20/37/43/1136203743.db2.gz BWONOPPUCNQVPG-KOMLCTQHSA-N 0 3 326.440 3.685 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000747792484 1136218934 /nfs/dbraw/zinc/21/89/34/1136218934.db2.gz SOWRNVBZCLVRDJ-CTNGQTDRSA-N 0 3 336.435 3.655 20 30 EHEDHN N#CC(C(=O)CC1(C#N)CCCCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000850757128 1136300810 /nfs/dbraw/zinc/30/08/10/1136300810.db2.gz WROPDFUVRUSQNW-OAHLLOKOSA-N 0 3 343.814 3.852 20 30 EHEDHN C[C@H](OCc1ccccc1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813211791 1136303047 /nfs/dbraw/zinc/30/30/47/1136303047.db2.gz QINWPMPIYWCXPN-SWLSCSKDSA-N 0 3 348.324 3.882 20 30 EHEDHN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000813213470 1136303724 /nfs/dbraw/zinc/30/37/24/1136303724.db2.gz MQLVQXURIPLHSP-MRVWCRGKSA-N 0 3 340.345 3.872 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCc4cc(F)ccc43)nc21 ZINC000850850274 1136311553 /nfs/dbraw/zinc/31/15/53/1136311553.db2.gz UANFAVGPUIYANR-CVEARBPZSA-N 0 3 333.366 3.917 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CCc4cc(F)ccc43)[nH]c21 ZINC000850850274 1136311557 /nfs/dbraw/zinc/31/15/57/1136311557.db2.gz UANFAVGPUIYANR-CVEARBPZSA-N 0 3 333.366 3.917 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](CC)Cc2ccc(C)cc2)CC1 ZINC000173197023 1136360955 /nfs/dbraw/zinc/36/09/55/1136360955.db2.gz BYDXFRCCQOZZKL-FQEVSTJZSA-N 0 3 343.515 3.608 20 30 EHEDHN C#C[C@](C)(CC)NCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000852100793 1136433774 /nfs/dbraw/zinc/43/37/74/1136433774.db2.gz JAEIXPAZCACIRG-TZIWHRDSSA-N 0 3 342.483 3.530 20 30 EHEDHN N#Cc1ccc(CN(CCC(=O)OCc2ccccc2)C2CC2)cc1 ZINC000776578748 1136444181 /nfs/dbraw/zinc/44/41/81/1136444181.db2.gz IMDXADHOGHPVGA-UHFFFAOYSA-N 0 3 334.419 3.656 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2cscn2)cc1 ZINC000853097519 1136509359 /nfs/dbraw/zinc/50/93/59/1136509359.db2.gz BRGJMIZNLZOKHU-WBMJQRKESA-N 0 3 341.436 3.547 20 30 EHEDHN O=[N+]([O-])c1cc(Cl)ccc1NNC1=C[C@H](C(F)(F)F)OCC1 ZINC000814810083 1136512044 /nfs/dbraw/zinc/51/20/44/1136512044.db2.gz XSHWFUPRWGZOAP-LLVKDONJSA-N 0 3 337.685 3.757 20 30 EHEDHN C[C@H](NC[C@H](O)c1c(F)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000776746909 1136624373 /nfs/dbraw/zinc/62/43/73/1136624373.db2.gz TZFZZELOGZSVAC-QFYYESIMSA-N 0 3 336.769 3.874 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccccc2Cn2cccn2)cc1 ZINC000113316638 1136694504 /nfs/dbraw/zinc/69/45/04/1136694504.db2.gz SUHRMIDLLCLZDQ-UHFFFAOYSA-N 0 3 345.446 3.623 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(N3CCC(C)CC3)nc2)cc1 ZINC000113323231 1136696963 /nfs/dbraw/zinc/69/69/63/1136696963.db2.gz YAWRNLUWRVDQDL-UHFFFAOYSA-N 0 3 349.478 3.620 20 30 EHEDHN C=CCCO[C@H](C)C(=O)O[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000816468875 1136720107 /nfs/dbraw/zinc/72/01/07/1136720107.db2.gz OUZYAVRSKKJKKS-LMMKCTJWSA-N 0 3 331.456 3.564 20 30 EHEDHN CCCCCCCCCCN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856554739 1136795105 /nfs/dbraw/zinc/79/51/05/1136795105.db2.gz NBEHCZIPTLQAKJ-VQTJNVASSA-N 0 3 345.531 3.978 20 30 EHEDHN Cc1ccc(COc2cccc(NC(=O)[C@@H](N)CCCC#N)c2)cc1 ZINC000818115885 1136860131 /nfs/dbraw/zinc/86/01/31/1136860131.db2.gz DDYAPZGAYYOFSW-IBGZPJMESA-N 0 3 337.423 3.534 20 30 EHEDHN C[C@@](O)(CNCc1cccc(-c2ccc(C#N)s2)c1)C(F)(F)F ZINC000819091766 1136907494 /nfs/dbraw/zinc/90/74/94/1136907494.db2.gz LEUGMWMDPXFHPH-OAHLLOKOSA-N 0 3 340.370 3.690 20 30 EHEDHN C=CCN(CCC1CN(C(=O)OC(C)(C)C)C1)Cc1cccs1 ZINC000859053977 1137001310 /nfs/dbraw/zinc/00/13/10/1137001310.db2.gz HFLYQPBJARQQJU-UHFFFAOYSA-N 0 3 336.501 3.993 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859888527 1137035936 /nfs/dbraw/zinc/03/59/36/1137035936.db2.gz GCPCSWUBCNIQAM-UHFFFAOYSA-N 0 3 335.451 3.845 20 30 EHEDHN Cc1cocc1C(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000860857613 1137081524 /nfs/dbraw/zinc/08/15/24/1137081524.db2.gz XLSGLJFDEGLBHG-UHFFFAOYSA-N 0 3 338.407 3.551 20 30 EHEDHN C=CCOc1ccccc1CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001136808797 1137120705 /nfs/dbraw/zinc/12/07/05/1137120705.db2.gz SNHUJIYPZKDLMU-UHFFFAOYSA-N 0 3 349.434 3.786 20 30 EHEDHN CC(C)(CC#N)COC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805919398 1137199807 /nfs/dbraw/zinc/19/98/07/1137199807.db2.gz BGAMBDBYWCKHQY-UHFFFAOYSA-N 0 3 328.456 3.772 20 30 EHEDHN CCOc1c(Cl)ccc(CN2CCC3SC(=O)C=C3C2)c1F ZINC001143825172 1137202302 /nfs/dbraw/zinc/20/23/02/1137202302.db2.gz FSWBKAVBCZFKQW-CYBMUJFWSA-N 0 3 341.835 3.652 20 30 EHEDHN CCCCCCCCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000794581204 1137210479 /nfs/dbraw/zinc/21/04/79/1137210479.db2.gz ZQULVQHKODFCER-IBGZPJMESA-N 0 3 332.488 3.942 20 30 EHEDHN N#Cc1ccc(CN2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)nc1 ZINC001144160308 1137246577 /nfs/dbraw/zinc/24/65/77/1137246577.db2.gz DCWNKDHILFANOU-FKBYEOEOSA-N 0 3 345.446 3.650 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)nc1 ZINC001144160352 1137246651 /nfs/dbraw/zinc/24/66/51/1137246651.db2.gz GQZYMCFAXZRBFM-FCHUYYIVSA-N 0 3 347.462 3.565 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccnc(Cl)c3s2)CC1 ZINC000865193697 1137268080 /nfs/dbraw/zinc/26/80/80/1137268080.db2.gz NQWBDUIMTRORAO-UHFFFAOYSA-N 0 3 349.887 3.720 20 30 EHEDHN C=C(Cc1ccccc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001144405305 1137286089 /nfs/dbraw/zinc/28/60/89/1137286089.db2.gz LSJRDDHQLGPFDI-NRFANRHFSA-N 0 3 334.463 3.566 20 30 EHEDHN CN(C)c1ccc(C#N)cc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000865606119 1137298170 /nfs/dbraw/zinc/29/81/70/1137298170.db2.gz PXIQLLHIAHGBQI-HXUWFJFHSA-N 0 3 330.435 3.663 20 30 EHEDHN COc1cc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)cc(Cl)c1[O-] ZINC001171192820 1137299308 /nfs/dbraw/zinc/29/93/08/1137299308.db2.gz BPAIXTNNCUYFKY-LBPRGKRZSA-N 0 3 330.815 3.647 20 30 EHEDHN Cc1ccc(C)c(N2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171203265 1137324061 /nfs/dbraw/zinc/32/40/61/1137324061.db2.gz KYMPRGMYYJBWKO-LJQANCHMSA-N 0 3 333.479 3.928 20 30 EHEDHN C[C@H]1C[C@H](CNCC2(C#N)CCCC2)CCN1C(=O)OC(C)(C)C ZINC000846009941 1137325337 /nfs/dbraw/zinc/32/53/37/1137325337.db2.gz FWZYIMUYYBDNGF-JKSUJKDBSA-N 0 3 335.492 3.696 20 30 EHEDHN CC[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1[O-] ZINC000846115535 1137333696 /nfs/dbraw/zinc/33/36/96/1137333696.db2.gz OIRPAONPULCUAI-NRFANRHFSA-N 0 3 349.478 3.969 20 30 EHEDHN N#Cc1ccccc1N1CCC(N[C@@H]2CCCc3scnc32)CC1 ZINC000866449128 1137355563 /nfs/dbraw/zinc/35/55/63/1137355563.db2.gz RXEUMOBXHKVXIX-MRXNPFEDSA-N 0 3 338.480 3.651 20 30 EHEDHN CCN1C[C@H](CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)OC1=O ZINC000846852065 1137371837 /nfs/dbraw/zinc/37/18/37/1137371837.db2.gz VWFRZFGYKMFHHB-QRWLVFNGSA-N 0 3 349.434 3.717 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCOc2ccc(OC)cc2)c([O-])c1 ZINC000005327289 1137427636 /nfs/dbraw/zinc/42/76/36/1137427636.db2.gz MJYMFPWXFNXNCC-RCCKNPSSSA-N 0 3 342.439 3.745 20 30 EHEDHN C[C@@H](C#N)c1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC001148624702 1137429839 /nfs/dbraw/zinc/42/98/39/1137429839.db2.gz QFJLSQMYGSAKSM-UWJYYQICSA-N 0 3 347.462 3.881 20 30 EHEDHN Cc1nc2c(s1)[C@H](N(C)CCOc1ccccc1C#N)CCC2 ZINC000348219044 1137453384 /nfs/dbraw/zinc/45/33/84/1137453384.db2.gz RXZYHHWMDHANEB-MRXNPFEDSA-N 0 3 327.453 3.711 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000122615399 1137454558 /nfs/dbraw/zinc/45/45/58/1137454558.db2.gz DAVONXLXWPVVIC-UHFFFAOYSA-N 0 3 325.239 3.586 20 30 EHEDHN CCCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2OC)s1 ZINC000870141762 1137478486 /nfs/dbraw/zinc/47/84/86/1137478486.db2.gz CJCKLKMODPBASN-CYBMUJFWSA-N 0 3 342.420 3.670 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC001172307609 1137545720 /nfs/dbraw/zinc/54/57/20/1137545720.db2.gz OXZHSYNCNKKETL-MOPGFXCFSA-N 0 3 333.479 3.696 20 30 EHEDHN COc1ccc(N2CCN([C@@H](C)Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC001172313213 1137546440 /nfs/dbraw/zinc/54/64/40/1137546440.db2.gz RSUAVCZPGIYADL-SFHVURJKSA-N 0 3 349.478 3.629 20 30 EHEDHN N#Cc1cccc(CN2CCC(Nc3ccnc4ncccc34)CC2)c1 ZINC000872587365 1137581719 /nfs/dbraw/zinc/58/17/19/1137581719.db2.gz VQXLUUFRNBDOMV-UHFFFAOYSA-N 0 3 343.434 3.578 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N([C@H](C)c1ccccc1Cl)C1CC1 ZINC000876585702 1137656294 /nfs/dbraw/zinc/65/62/94/1137656294.db2.gz SNOHHAOAPJOEHS-IAQYHMDHSA-N 0 3 327.255 3.862 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000876590479 1137656379 /nfs/dbraw/zinc/65/63/79/1137656379.db2.gz VLYZSTLYQZCFHA-GXFFZTMASA-N 0 3 334.769 3.695 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000876590481 1137656393 /nfs/dbraw/zinc/65/63/93/1137656393.db2.gz VLYZSTLYQZCFHA-ZWNOBZJWSA-N 0 3 334.769 3.695 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000876643527 1137658046 /nfs/dbraw/zinc/65/80/46/1137658046.db2.gz ZCZCNTMDRPEDAL-UONOGXRCSA-N 0 3 346.780 3.839 20 30 EHEDHN C=C(Cl)CN[C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877149328 1137671615 /nfs/dbraw/zinc/67/16/15/1137671615.db2.gz LUKMWAZPXPFKHV-HUUCEWRRSA-N 0 3 343.696 3.927 20 30 EHEDHN COc1ccc(CC(C)(C)NCc2cc(C#N)cnc2Cl)cc1 ZINC000877462257 1137677030 /nfs/dbraw/zinc/67/70/30/1137677030.db2.gz PMCRHZLHYSWQAA-UHFFFAOYSA-N 0 3 329.831 3.726 20 30 EHEDHN CC(=O)[C@@](C#N)(CCN(C)CCCc1ccccc1)c1ccccc1 ZINC000877960868 1137697271 /nfs/dbraw/zinc/69/72/71/1137697271.db2.gz DYRLNEFFKRUZIC-QFIPXVFZSA-N 0 3 334.463 3.992 20 30 EHEDHN C=C(C)[C@@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(F)c(F)c1 ZINC000878451497 1137716584 /nfs/dbraw/zinc/71/65/84/1137716584.db2.gz MRYNRYVOXCBKTE-MAUKXSAKSA-N 0 3 337.410 3.900 20 30 EHEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@]2(CCSC2)C1)c1ccccc1 ZINC000878689267 1137725111 /nfs/dbraw/zinc/72/51/11/1137725111.db2.gz FICOXIPNYKXARO-PMACEKPBSA-N 0 3 342.508 3.646 20 30 EHEDHN CC(=O)Oc1ccc(CN2CCC(Nc3ccccc3C#N)CC2)cc1 ZINC000878962207 1137733735 /nfs/dbraw/zinc/73/37/35/1137733735.db2.gz ICUVAYAUSVQOJL-UHFFFAOYSA-N 0 3 349.434 3.560 20 30 EHEDHN CC(C)(O)[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000879961159 1137763300 /nfs/dbraw/zinc/76/33/00/1137763300.db2.gz AAXKEQREUVYADV-MRXNPFEDSA-N 0 3 325.374 3.540 20 30 EHEDHN CCc1cc(C(=O)C(C#N)C(=O)Nc2ccc(CC)cc2)oc1CC ZINC000128733182 1137796376 /nfs/dbraw/zinc/79/63/76/1137796376.db2.gz YADLSPXOXRMAPU-INIZCTEOSA-N 0 3 338.407 3.928 20 30 EHEDHN C=CCC[C@@H](Cc1ccccc1)NCc1ccccc1S(C)(=O)=O ZINC000883227893 1137849571 /nfs/dbraw/zinc/84/95/71/1137849571.db2.gz ANJBDWDOOOIQFV-IBGZPJMESA-N 0 3 343.492 3.757 20 30 EHEDHN C=CCC[C@H](NCc1nn(C)cc1C(F)F)[C@H]1Cc2ccccc2O1 ZINC000883242873 1137850167 /nfs/dbraw/zinc/85/01/67/1137850167.db2.gz USIGEPGEIAOVRO-MAUKXSAKSA-N 0 3 347.409 3.786 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CSC)cc2)CC1 ZINC000106325274 1137883292 /nfs/dbraw/zinc/88/32/92/1137883292.db2.gz RCUYTUYBIRWUPX-UHFFFAOYSA-N 0 3 333.501 3.712 20 30 EHEDHN CCCN(C(=O)C1CC2(C1)CNC[C@H]2C#N)[C@H](CC)c1ccccc1 ZINC000884086114 1137905650 /nfs/dbraw/zinc/90/56/50/1137905650.db2.gz NJVBREQWZNEJJH-XTBIFASLSA-N 0 3 339.483 3.516 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=CSCc1ccco1 ZINC000134117674 1137940684 /nfs/dbraw/zinc/94/06/84/1137940684.db2.gz JCSXPFXZBZYEGW-QSYFUGGGSA-N 0 3 337.404 3.790 20 30 EHEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CCC1CCOCC1 ZINC000120747632 1137952163 /nfs/dbraw/zinc/95/21/63/1137952163.db2.gz BGJDBGORYQKAHF-UHFFFAOYSA-N 0 3 325.374 3.805 20 30 EHEDHN CCCC[C@@H](CC)CCCN(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884422373 1137959606 /nfs/dbraw/zinc/95/96/06/1137959606.db2.gz VMMADVVBBZWQEQ-BHASAWDCSA-N 0 3 333.520 3.581 20 30 EHEDHN C[C@@H]1SCCN(C[C@@H](O)CC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886014039 1138032313 /nfs/dbraw/zinc/03/23/13/1138032313.db2.gz BGVOPWBROKETCE-RYQLBKOJSA-N 0 3 330.497 3.610 20 30 EHEDHN CC(C)(NC[C@@H](O)CC1(C#N)CCC1)c1nc2ccccc2s1 ZINC000886297584 1138065319 /nfs/dbraw/zinc/06/53/19/1138065319.db2.gz VHMWTJYGBNJLPR-ZDUSSCGKSA-N 0 3 329.469 3.566 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000077594221 1138141500 /nfs/dbraw/zinc/14/15/00/1138141500.db2.gz HPOVBRUOVPBZLD-KRWDZBQOSA-N 0 3 331.460 3.557 20 30 EHEDHN COc1cccc([C@@H](C)N2CCN(CC(C)(C)CCC#N)CC2)c1 ZINC000093078820 1138233848 /nfs/dbraw/zinc/23/38/48/1138233848.db2.gz HMQDGSJQPYCZNP-QGZVFWFLSA-N 0 3 329.488 3.704 20 30 EHEDHN N#Cc1ccc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000263652045 1138336004 /nfs/dbraw/zinc/33/60/04/1138336004.db2.gz BTGXFCANZYVVBA-UHFFFAOYSA-N 0 3 337.398 3.548 20 30 EHEDHN CSc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000337231938 1138502344 /nfs/dbraw/zinc/50/23/44/1138502344.db2.gz XPESPNRFGDIDFT-SUNYJGFJSA-N 0 3 333.501 3.502 20 30 EHEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H](C)N1Cc1ccc(C#N)cc1 ZINC000337237399 1138503537 /nfs/dbraw/zinc/50/35/37/1138503537.db2.gz LYYCPPVHLYNAJA-QZTJIDSGSA-N 0 3 344.462 3.525 20 30 EHEDHN CC(=O)[C@@H](C)SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000175196024 1139471207 /nfs/dbraw/zinc/47/12/07/1139471207.db2.gz JGFAVEZMEBBYKL-TZMCWYRMSA-N 0 3 344.461 3.697 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(F)(F)F)c2C)CC1 ZINC000178142224 1139674056 /nfs/dbraw/zinc/67/40/56/1139674056.db2.gz RIYCRHQEHMPJGI-UHFFFAOYSA-N 0 3 341.377 3.786 20 30 EHEDHN CCc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000180052265 1139804099 /nfs/dbraw/zinc/80/40/99/1139804099.db2.gz KJDKVSAXAWSTSZ-UHFFFAOYSA-N 0 3 336.464 3.872 20 30 EHEDHN COCc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)ccc1OC ZINC000180556310 1139845029 /nfs/dbraw/zinc/84/50/29/1139845029.db2.gz BKWNPISQYDTESP-OAHLLOKOSA-N 0 3 340.423 3.595 20 30 EHEDHN COc1cc(C)c([C@H](C)NCc2ccc(OCC#N)cc2)cc1OC ZINC000180559491 1139846024 /nfs/dbraw/zinc/84/60/24/1139846024.db2.gz SOCVWZCJAWUDAP-HNNXBMFYSA-N 0 3 340.423 3.765 20 30 EHEDHN CCCCNC(=O)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181600086 1139918255 /nfs/dbraw/zinc/91/82/55/1139918255.db2.gz BMEGXACHGCEMCR-MRXNPFEDSA-N 0 3 335.451 3.939 20 30 EHEDHN N#C[C@H]1CCC[C@H](NCc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000185792891 1140170115 /nfs/dbraw/zinc/17/01/15/1140170115.db2.gz WAXAUFUAWCSEOT-YJBOKZPZSA-N 0 3 334.423 3.506 20 30 EHEDHN CCCCN(C)C(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186337587 1140198656 /nfs/dbraw/zinc/19/86/56/1140198656.db2.gz ZJEDDIOSWGFZFM-MRXNPFEDSA-N 0 3 327.472 3.590 20 30 EHEDHN Cc1ccccc1C(=O)NC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000188291507 1140290914 /nfs/dbraw/zinc/29/09/14/1140290914.db2.gz UYIJNEBMIAALEX-QGZVFWFLSA-N 0 3 347.462 3.822 20 30 EHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000190872119 1140422629 /nfs/dbraw/zinc/42/26/29/1140422629.db2.gz QADHKPRWQQOMHU-GFCCVEGCSA-N 0 3 337.345 3.689 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)c(OC)c2)CC1 ZINC000194370657 1140606275 /nfs/dbraw/zinc/60/62/75/1140606275.db2.gz AZQJNMUQMCMIQV-UHFFFAOYSA-N 0 3 337.851 3.511 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)CSc2ccc(C#N)cc2)c1 ZINC000270362630 1141212651 /nfs/dbraw/zinc/21/26/51/1141212651.db2.gz HGVPXLFQTXTMNI-UHFFFAOYSA-N 0 3 339.464 3.659 20 30 EHEDHN CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCCOC1 ZINC000348711593 1141569031 /nfs/dbraw/zinc/56/90/31/1141569031.db2.gz GPRFMJLXTILOMG-HXUWFJFHSA-N 0 3 336.435 3.748 20 30 EHEDHN CCCc1cc(C#N)c(N2CCN(C3CCCC3)CC2)nc1Cl ZINC001165028130 721857090 /nfs/dbraw/zinc/85/70/90/721857090.db2.gz KAMVZUUBOVOJMW-UHFFFAOYSA-N 0 3 332.879 3.624 20 30 EHEDHN N#CC(C(=O)C=Cc1ccccc1OC(F)(F)F)c1ccccn1 ZINC000049457683 1014171761 /nfs/dbraw/zinc/17/17/61/1014171761.db2.gz DOXYYHFAGJCZFG-LJTDUEICSA-N 0 3 332.281 3.870 20 30 EHEDHN N#CC(C(=O)CCCC1CCCCC1)C(=O)NCc1ccccc1 ZINC000049489433 1014200448 /nfs/dbraw/zinc/20/04/48/1014200448.db2.gz UGLQZVZPMOFTNX-SFHVURJKSA-N 0 3 326.440 3.762 20 30 EHEDHN CC(F)(F)c1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000339418789 1014382855 /nfs/dbraw/zinc/38/28/55/1014382855.db2.gz COBVPVNJELJCOD-UHFFFAOYSA-N 0 3 326.350 3.607 20 30 EHEDHN C=CCOc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1OC ZINC000430145817 1014395721 /nfs/dbraw/zinc/39/57/21/1014395721.db2.gz FNZXTPMHHXFZRF-GOSISDBHSA-N 0 3 331.456 3.509 20 30 EHEDHN N#Cc1cccc(C2(NC[C@@H](O)c3ccc(F)cc3Cl)CC2)c1 ZINC000274791516 1015152384 /nfs/dbraw/zinc/15/23/84/1015152384.db2.gz BZWZCXPKCGDXDE-QGZVFWFLSA-N 0 3 330.790 3.663 20 30 EHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](CC2CC2)C1 ZINC000339678327 1015506778 /nfs/dbraw/zinc/50/67/78/1015506778.db2.gz MDLMQXHLPOQGFT-OCCSQVGLSA-N 0 3 331.847 3.661 20 30 EHEDHN C[C@@H]1[C@H](Nc2nc(Cl)c(C#N)s2)CCN1Cc1ccccc1 ZINC000306728337 1015575850 /nfs/dbraw/zinc/57/58/50/1015575850.db2.gz NNITWPLCMODESA-DGCLKSJQSA-N 0 3 332.860 3.743 20 30 EHEDHN N#CCc1ccc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000340108911 1016329129 /nfs/dbraw/zinc/32/91/29/1016329129.db2.gz YSVYHAALIZJULH-OAQYLSRUSA-N 0 3 347.462 3.537 20 30 EHEDHN Cc1ccc(NC(=O)C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)nc1 ZINC000189051939 1016430776 /nfs/dbraw/zinc/43/07/76/1016430776.db2.gz PUMAJCIDVNJOIN-INIZCTEOSA-N 0 3 348.450 3.673 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000178569097 1016717693 /nfs/dbraw/zinc/71/76/93/1016717693.db2.gz JKKDKPMGUDBKBK-HNAYVOBHSA-N 0 3 348.450 3.651 20 30 EHEDHN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@H](O)CC(C)(C)C#N ZINC000598610457 1033323650 /nfs/dbraw/zinc/32/36/50/1033323650.db2.gz CFHXEWOWWQZRKN-UKRRQHHQSA-N 0 3 328.378 3.879 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2[C@@H](C)CC(C)C)CC1 ZINC000460130331 1032606009 /nfs/dbraw/zinc/60/60/09/1032606009.db2.gz VHQRBCAODSAFCS-INIZCTEOSA-N 0 3 347.507 3.652 20 30 EHEDHN N#Cc1ccc2ncc(CN(C3CC3)[C@H]3CCc4ccccc43)n2c1 ZINC000092221618 1017139657 /nfs/dbraw/zinc/13/96/57/1017139657.db2.gz QYFYPQKOKPYLDD-FQEVSTJZSA-N 0 3 328.419 3.858 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376866529 1017168867 /nfs/dbraw/zinc/16/88/67/1017168867.db2.gz KOLJODJZNDPRJL-HZPDHXFCSA-N 0 3 333.435 3.567 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376866530 1017169260 /nfs/dbraw/zinc/16/92/60/1017169260.db2.gz KOLJODJZNDPRJL-JKSUJKDBSA-N 0 3 333.435 3.567 20 30 EHEDHN CCO[C@H]1CCN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@H]1C ZINC000449503033 1032685018 /nfs/dbraw/zinc/68/50/18/1032685018.db2.gz XGZMGCOCNOZFGH-AEFFLSMTSA-N 0 3 346.471 3.625 20 30 EHEDHN C=C(C)c1cccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000890888879 1017256988 /nfs/dbraw/zinc/25/69/88/1017256988.db2.gz LTXKVWCQRBVCIQ-CABCVRRESA-N 0 3 343.345 3.642 20 30 EHEDHN N#Cc1cc(F)ccc1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000377124205 1017353071 /nfs/dbraw/zinc/35/30/71/1017353071.db2.gz DCXPUMABWBNVLY-NJDAHSKKSA-N 0 3 336.410 3.702 20 30 EHEDHN C=CCNC(=O)[C@H](C)N1CCC(c2c[nH]c3c2cccc3CC)CC1 ZINC000340403228 1017404916 /nfs/dbraw/zinc/40/49/16/1017404916.db2.gz APWJRBGSXDSPJO-HNNXBMFYSA-N 0 3 339.483 3.600 20 30 EHEDHN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]2CCCC[C@H]12 ZINC000541112455 1017554220 /nfs/dbraw/zinc/55/42/20/1017554220.db2.gz PXKMLLNHIQNPPF-VMGRFDJRSA-N 0 3 331.847 3.661 20 30 EHEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000177686001 1018465636 /nfs/dbraw/zinc/46/56/36/1018465636.db2.gz ZMIQMZFYKMZVLE-GFCCVEGCSA-N 0 3 340.452 3.754 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)c1cccc(CC#N)c1)c1ccsc1 ZINC000052877800 1019364679 /nfs/dbraw/zinc/36/46/79/1019364679.db2.gz MZUHHLFJNWEWNN-GOSISDBHSA-N 0 3 341.480 3.627 20 30 EHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccoc1)c1ccc2ccccc2n1 ZINC000684009208 1019799797 /nfs/dbraw/zinc/79/97/97/1019799797.db2.gz APJFRIXWWULYGV-AWEZNQCLSA-N 0 3 328.331 3.708 20 30 EHEDHN COC(=O)c1cccc(CN[C@H](C)C2CCC(F)(F)CC2)c1C#N ZINC000594040111 1032862334 /nfs/dbraw/zinc/86/23/34/1032862334.db2.gz DGEUDRZZRAERTQ-GFCCVEGCSA-N 0 3 336.382 3.648 20 30 EHEDHN N#Cc1ccccc1OCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000345247950 1020097632 /nfs/dbraw/zinc/09/76/32/1020097632.db2.gz VXGMEBWZKMAXDZ-QGZVFWFLSA-N 0 3 342.464 3.680 20 30 EHEDHN CC(C)Oc1ccc([C@H](CNc2c(C#N)cccc2C#N)N(C)C)cc1 ZINC000340856193 1020467519 /nfs/dbraw/zinc/46/75/19/1020467519.db2.gz XPRNREGLNSBBIC-FQEVSTJZSA-N 0 3 348.450 3.932 20 30 EHEDHN CC(C)COc1ccccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602519225 1032932000 /nfs/dbraw/zinc/93/20/00/1032932000.db2.gz VRBVWBRMXSILRT-KRWDZBQOSA-N 0 3 330.472 3.910 20 30 EHEDHN C[C@@H](c1cccc2ccccc21)N1CCN(c2ncccc2C#N)CC1 ZINC000516295837 1021264716 /nfs/dbraw/zinc/26/47/16/1021264716.db2.gz AESSFCXURUABMS-KRWDZBQOSA-N 0 3 342.446 3.990 20 30 EHEDHN CC[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1cccc(Cl)c1 ZINC000341302413 1021392719 /nfs/dbraw/zinc/39/27/19/1021392719.db2.gz REMAWVASMUOTLQ-OWQGQXMQSA-N 0 3 335.879 3.824 20 30 EHEDHN CC[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)C ZINC000519103066 1021857850 /nfs/dbraw/zinc/85/78/50/1021857850.db2.gz MBGNMHYHNZTDEY-IBGZPJMESA-N 0 3 329.488 3.521 20 30 EHEDHN Cc1sc(NC(=O)CN(C2CC2)C2CCCCC2)c(C#N)c1C ZINC000610542648 1021902414 /nfs/dbraw/zinc/90/24/14/1021902414.db2.gz XUAYATILQFSAGW-UHFFFAOYSA-N 0 3 331.485 3.972 20 30 EHEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000441359594 1022174982 /nfs/dbraw/zinc/17/49/82/1022174982.db2.gz CGRAINKLRQLWBQ-ZVDOUQERSA-N 0 3 341.499 3.617 20 30 EHEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441374672 1022195504 /nfs/dbraw/zinc/19/55/04/1022195504.db2.gz GEMRLYKCLRBEJE-PMACEKPBSA-N 0 3 326.484 3.764 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000517342024 1022258050 /nfs/dbraw/zinc/25/80/50/1022258050.db2.gz ZECRUPFEKNSZRN-LJQANCHMSA-N 0 3 341.499 3.616 20 30 EHEDHN CN(C)Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1C(F)(F)F ZINC000894980287 1022335049 /nfs/dbraw/zinc/33/50/49/1022335049.db2.gz NOVXATLCHOTHNP-UHFFFAOYSA-N 0 3 339.361 3.789 20 30 EHEDHN CC(C)(C)C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000341585837 1022414933 /nfs/dbraw/zinc/41/49/33/1022414933.db2.gz ASMOMFGEVJBLEN-PXNSSMCTSA-N 0 3 327.472 3.562 20 30 EHEDHN C[C@]1(Br)C[C@@H]1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000891721644 1022460430 /nfs/dbraw/zinc/46/04/30/1022460430.db2.gz BUYDEMSUZYLULI-PBHICJAKSA-N 0 3 349.272 3.575 20 30 EHEDHN N#Cc1ccc(OC2CCN(CCOCC3CCCC3)CC2)cc1 ZINC000459339980 1033056329 /nfs/dbraw/zinc/05/63/29/1033056329.db2.gz OFHYLCLRURBCDW-UHFFFAOYSA-N 0 3 328.456 3.608 20 30 EHEDHN COc1cc(Br)ccc1CN[C@@H](C)CC(C)(C)C#N ZINC000926218240 1022533507 /nfs/dbraw/zinc/53/35/07/1022533507.db2.gz BELNLNIWXMSOMR-NSHDSACASA-N 0 3 325.250 3.876 20 30 EHEDHN O=C1C=COC2(CCN(C[C@H]3CCC[C@@H](c4ccccc4)O3)CC2)C1 ZINC000933643653 1022534150 /nfs/dbraw/zinc/53/41/50/1022534150.db2.gz BQYMCPJIXJDRLE-UXHICEINSA-N 0 3 341.451 3.635 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(OC(F)F)c(F)c1 ZINC000602675758 1033065886 /nfs/dbraw/zinc/06/58/86/1033065886.db2.gz KHZIXLKGDTXSRM-LBPRGKRZSA-N 0 3 342.361 3.616 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000518002191 1022923606 /nfs/dbraw/zinc/92/36/06/1022923606.db2.gz VCMLYTXTNNHPHT-ZIFCJYIRSA-N 0 3 333.520 3.685 20 30 EHEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1cc(C)cc(F)c1)C2 ZINC001143585099 1023060894 /nfs/dbraw/zinc/06/08/94/1023060894.db2.gz FIATYNZOHBTGTH-HXUWFJFHSA-N 0 3 330.447 3.667 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnn(Cc2ccccc2)c1 ZINC000341762856 1023269154 /nfs/dbraw/zinc/26/91/54/1023269154.db2.gz VRARQIWMNCGDBF-QFIPXVFZSA-N 0 3 342.446 3.970 20 30 EHEDHN Cc1c(C#N)cccc1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000337949040 1023350816 /nfs/dbraw/zinc/35/08/16/1023350816.db2.gz ZZBSLSHJZBCDLX-KRWDZBQOSA-N 0 3 347.462 3.603 20 30 EHEDHN C=CCC[C@@H](N[C@H](C)CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000341869964 1023499114 /nfs/dbraw/zinc/49/91/14/1023499114.db2.gz CUMAGGILZMTKRU-IUODEOHRSA-N 0 3 349.418 3.735 20 30 EHEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000181451842 1023940335 /nfs/dbraw/zinc/94/03/35/1023940335.db2.gz LAHSEIFBQGFTGE-RDJZCZTQSA-N 0 3 325.374 3.540 20 30 EHEDHN CCN1CCCC[C@H]1CNC(=O)c1cnn(C2CCCCC2)c1C ZINC000329702421 1024106244 /nfs/dbraw/zinc/10/62/44/1024106244.db2.gz IDBCOTOEBISZNS-KRWDZBQOSA-N 0 3 332.492 3.876 20 30 EHEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000329809729 1024203828 /nfs/dbraw/zinc/20/38/28/1024203828.db2.gz BDBXVSXXFFMQFG-BZNIZROVSA-N 0 3 344.846 3.517 20 30 EHEDHN CC[C@H](CNC(=O)[C@@H]1CCCCC(=O)N1)N1CCc2ccccc2C1 ZINC000329886605 1024236136 /nfs/dbraw/zinc/23/61/36/1024236136.db2.gz WIKIQGCOGSJQCT-MSOLQXFVSA-N 0 3 343.471 3.679 20 30 EHEDHN C=C(C)COc1cc(CN2CCOC[C@@H](C3CCC3)C2)ccc1OC ZINC000430113510 1024380104 /nfs/dbraw/zinc/38/01/04/1024380104.db2.gz LPYJPKPDPVPAKO-IBGZPJMESA-N 0 3 345.483 3.899 20 30 EHEDHN C=CCC[C@H](NCC(=O)NC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000342228424 1024493714 /nfs/dbraw/zinc/49/37/14/1024493714.db2.gz SMOOTHLHSOVBDD-HNNXBMFYSA-N 0 3 326.362 3.581 20 30 EHEDHN CC[C@@H](C)N[C@H](CNc1c(C#N)cccc1[N+](=O)[O-])c1ccco1 ZINC000425255029 1024521609 /nfs/dbraw/zinc/52/16/09/1024521609.db2.gz OISWZGKHGKUNOY-TZMCWYRMSA-N 0 3 328.372 3.601 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000114527291 1024630349 /nfs/dbraw/zinc/63/03/49/1024630349.db2.gz ZKYMIIRWEFTFGF-FQEVSTJZSA-N 0 3 331.504 3.559 20 30 EHEDHN N#Cc1cccc(CN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)c1 ZINC000602878395 1033229057 /nfs/dbraw/zinc/22/90/57/1033229057.db2.gz RJTVQRXCTXJNFJ-UHFFFAOYSA-N 0 3 343.434 3.723 20 30 EHEDHN CCC[C@@]1(C)CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001167509515 1024772798 /nfs/dbraw/zinc/77/27/98/1024772798.db2.gz OKWDHUPTQAZAND-CTNGQTDRSA-N 0 3 339.483 3.956 20 30 EHEDHN N#Cc1ccc(CN2CC[C@H](c3ccc4cccnc4n3)C2)cc1F ZINC000602889475 1033236057 /nfs/dbraw/zinc/23/60/57/1033236057.db2.gz WHELXKIHASZPDF-KRWDZBQOSA-N 0 3 332.382 3.630 20 30 EHEDHN C[C@H](CCC#N)CNCc1ccn(-c2ccc(Br)cc2)n1 ZINC000895804531 1024859827 /nfs/dbraw/zinc/85/98/27/1024859827.db2.gz MVLOOLWEEGPXNB-CYBMUJFWSA-N 0 3 347.260 3.664 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(OC)c(O[C@H](C)CC)c2)CC1 ZINC000895835645 1024900162 /nfs/dbraw/zinc/90/01/62/1024900162.db2.gz KBCBIMFSSKDZPX-MRXNPFEDSA-N 0 3 333.472 3.776 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000895835197 1024900617 /nfs/dbraw/zinc/90/06/17/1024900617.db2.gz BSRWQIWLHSLZJX-UHFFFAOYSA-N 0 3 342.395 3.758 20 30 EHEDHN COCc1cccc(CN2CCC(Nc3ccccc3C#N)CC2)c1 ZINC000602896475 1033248733 /nfs/dbraw/zinc/24/87/33/1033248733.db2.gz RJUYXXWLPCUXGH-UHFFFAOYSA-N 0 3 335.451 3.781 20 30 EHEDHN Cc1nc2c(n1[C@@H]1CCN([C@H](C)C(=O)NC3CCCC3)C1)CCCC2 ZINC000330343357 1025028517 /nfs/dbraw/zinc/02/85/17/1025028517.db2.gz BXLYNJKJNYWWJK-RHSMWYFYSA-N 0 3 344.503 3.605 20 30 EHEDHN CCC(C)(C)N1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000594230467 1033250521 /nfs/dbraw/zinc/25/05/21/1033250521.db2.gz PNYQLLPILXOUQH-SFHVURJKSA-N 0 3 342.487 3.547 20 30 EHEDHN C=C(CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccccc1 ZINC000346777984 1025115292 /nfs/dbraw/zinc/11/52/92/1025115292.db2.gz KQXCFEAFKUGQJA-CQSZACIVSA-N 0 3 333.428 3.593 20 30 EHEDHN C=CCC[C@@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000435765305 1025127024 /nfs/dbraw/zinc/12/70/24/1025127024.db2.gz SLOOQHKCXDCRFB-RTBURBONSA-N 0 3 327.472 3.572 20 30 EHEDHN Cc1cccnc1[C@H](NCCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000121008224 1025201634 /nfs/dbraw/zinc/20/16/34/1025201634.db2.gz PGKKNXQYWGLMMV-LJQANCHMSA-N 0 3 336.439 3.577 20 30 EHEDHN Cc1ccc(F)c(NC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000505755769 1025378551 /nfs/dbraw/zinc/37/85/51/1025378551.db2.gz HNDUWXXHSFOOAE-NSHDSACASA-N 0 3 325.368 3.990 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000896530644 1025517095 /nfs/dbraw/zinc/51/70/95/1025517095.db2.gz GIFCVFDGXJLFAV-RDJZCZTQSA-N 0 3 341.480 3.889 20 30 EHEDHN Cc1cccc(C)c1OC[C@@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425541567 1025692043 /nfs/dbraw/zinc/69/20/43/1025692043.db2.gz PPLYDCVGAOOZCW-XLIONFOSSA-N 0 3 338.451 3.608 20 30 EHEDHN C=C(C)COc1cc(CN(CCO)Cc2ccccc2)ccc1OC ZINC000505848158 1025886935 /nfs/dbraw/zinc/88/69/35/1025886935.db2.gz NCRGUPYGIFILBM-UHFFFAOYSA-N 0 3 341.451 3.645 20 30 EHEDHN N#Cc1ccccc1OCCN1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561213 1026141501 /nfs/dbraw/zinc/14/15/01/1026141501.db2.gz VQUWKKNOSCHDOT-UHFFFAOYSA-N 0 3 339.414 3.653 20 30 EHEDHN CCCCCCCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC001167577530 1026371505 /nfs/dbraw/zinc/37/15/05/1026371505.db2.gz RPXNBQCHBXMYHJ-UHFFFAOYSA-N 0 3 345.531 3.594 20 30 EHEDHN Cc1nccn1CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000342607168 1026433797 /nfs/dbraw/zinc/43/37/97/1026433797.db2.gz ORQWPVNMBSEHLJ-UHFFFAOYSA-N 0 3 348.425 3.905 20 30 EHEDHN COc1ccc(S[C@H](C)C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000048789462 1026722163 /nfs/dbraw/zinc/72/21/63/1026722163.db2.gz BYSXVHNXBMLGJG-RISCZKNCSA-N 0 3 332.450 3.817 20 30 EHEDHN C=C(C)CN1CCC(Nc2nccc(OCc3ccccc3)n2)CC1 ZINC000301858956 1026966783 /nfs/dbraw/zinc/96/67/83/1026966783.db2.gz CRKNCSFTMBNQFW-UHFFFAOYSA-N 0 3 338.455 3.508 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(F)cc2CSC)cc1 ZINC000237377186 1026977526 /nfs/dbraw/zinc/97/75/26/1026977526.db2.gz ZVPVUBRNJIGRMF-UHFFFAOYSA-N 0 3 329.440 3.991 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000419838789 1027208677 /nfs/dbraw/zinc/20/86/77/1027208677.db2.gz OZOGWPXNKXEFBR-ZDUSSCGKSA-N 0 3 329.425 3.695 20 30 EHEDHN C[C@H](c1ccccc1F)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000501850893 1027597016 /nfs/dbraw/zinc/59/70/16/1027597016.db2.gz PXMANHDERPRPBD-QGZVFWFLSA-N 0 3 337.442 3.966 20 30 EHEDHN C=CCN1CCC(NC(=O)CCOc2cc(C)ccc2C(C)C)CC1 ZINC000502003940 1027690841 /nfs/dbraw/zinc/69/08/41/1027690841.db2.gz XDCHSDJRYCLKEQ-UHFFFAOYSA-N 0 3 344.499 3.654 20 30 EHEDHN CCc1ccc([C@@H](NCC(=O)N(CC)C[C@H](C)C#N)C(C)C)cc1 ZINC000533472091 1027937128 /nfs/dbraw/zinc/93/71/28/1027937128.db2.gz XEGLIJRYWONWOU-UZLBHIALSA-N 0 3 329.488 3.544 20 30 EHEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000115555988 1027981873 /nfs/dbraw/zinc/98/18/73/1027981873.db2.gz IELHGVGXVSOPMB-ZIFCJYIRSA-N 0 3 339.483 3.596 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)CC1 ZINC000115678837 1027985657 /nfs/dbraw/zinc/98/56/57/1027985657.db2.gz SOTVYXSCPPTRKD-MJGOQNOKSA-N 0 3 341.499 3.615 20 30 EHEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000347342514 1027985832 /nfs/dbraw/zinc/98/58/32/1027985832.db2.gz WNQWUCZUXBTZPX-ICSRJNTNSA-N 0 3 344.499 3.557 20 30 EHEDHN N#Cc1cccc(CNC(=O)CN[C@H](c2ccccc2)C2CCCC2)c1 ZINC000532715383 1028411147 /nfs/dbraw/zinc/41/11/47/1028411147.db2.gz LINCUJQSRILRPC-JOCHJYFZSA-N 0 3 347.462 3.696 20 30 EHEDHN N#Cc1cccc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)c1F ZINC000502594720 1028412070 /nfs/dbraw/zinc/41/20/70/1028412070.db2.gz VPWAOZXHIJKLGP-IBGZPJMESA-N 0 3 344.817 3.842 20 30 EHEDHN Cc1c2ccccc2oc1[C@@H](NC(=O)[C@H](N)CCCC#N)C(C)C ZINC000424143407 1028831192 /nfs/dbraw/zinc/83/11/92/1028831192.db2.gz RBBHIUBUIAWQQJ-WBVHZDCISA-N 0 3 327.428 3.576 20 30 EHEDHN N#CCc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000076083679 1028876114 /nfs/dbraw/zinc/87/61/14/1028876114.db2.gz BODPDQFBKHKDDY-FQEVSTJZSA-N 0 3 348.450 3.539 20 30 EHEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000454535950 1029041726 /nfs/dbraw/zinc/04/17/26/1029041726.db2.gz FYMULWMHCFGGRC-ICSRJNTNSA-N 0 3 341.499 3.520 20 30 EHEDHN C[C@H]1COCCCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000611272470 1029043743 /nfs/dbraw/zinc/04/37/43/1029043743.db2.gz VSPSLBCUADFBLO-KRWDZBQOSA-N 0 3 336.435 3.748 20 30 EHEDHN N#Cc1ccccc1OCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533021841 1029207213 /nfs/dbraw/zinc/20/72/13/1029207213.db2.gz HAJXGVBSBHZGKZ-UHFFFAOYSA-N 0 3 344.418 3.603 20 30 EHEDHN C=CCC[C@@H](O)CN(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445895406 1029215605 /nfs/dbraw/zinc/21/56/05/1029215605.db2.gz GDTCCQHBUFQUCJ-UKRRQHHQSA-N 0 3 340.261 3.532 20 30 EHEDHN C=CC1CCN([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000524484979 1029245197 /nfs/dbraw/zinc/24/51/97/1029245197.db2.gz MHGOLHXUJRZIJJ-ZDUSSCGKSA-N 0 3 338.854 3.724 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CCc1ccccc1 ZINC000544408562 1029400150 /nfs/dbraw/zinc/40/01/50/1029400150.db2.gz LNCFZCBKLSIJLG-HXUWFJFHSA-N 0 3 325.452 3.677 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184003059 1029478229 /nfs/dbraw/zinc/47/82/29/1029478229.db2.gz GAKUILGOAUBHDT-YWZLYKJASA-N 0 3 348.450 3.509 20 30 EHEDHN C=CCC[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000272885080 1029822653 /nfs/dbraw/zinc/82/26/53/1029822653.db2.gz YNNWVPDTYBKDCM-QFBILLFUSA-N 0 3 327.472 3.644 20 30 EHEDHN C=CCCCCCN(C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659036998 1030289505 /nfs/dbraw/zinc/28/95/05/1030289505.db2.gz UUYMBHNQHUQUCR-GOSISDBHSA-N 0 3 331.460 3.558 20 30 EHEDHN C=C[C@@H](CC(=O)N(CCN(C)C)Cc1ccccc1)c1ccccc1 ZINC000536097064 1030395372 /nfs/dbraw/zinc/39/53/72/1030395372.db2.gz ZTQHURNIJMXJML-FQEVSTJZSA-N 0 3 336.479 3.937 20 30 EHEDHN Cc1cccc(NC(=O)[C@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000249130252 1030527257 /nfs/dbraw/zinc/52/72/57/1030527257.db2.gz DPQILNSEDOTTCZ-APWZRJJASA-N 0 3 348.450 3.673 20 30 EHEDHN Cc1cccc(C(C)(C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000447885180 1030563953 /nfs/dbraw/zinc/56/39/53/1030563953.db2.gz DKFKDAYMLUNLNC-HXUWFJFHSA-N 0 3 347.462 3.887 20 30 EHEDHN CCCCN(CC(=O)N(CC)C[C@@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000532352105 1030576850 /nfs/dbraw/zinc/57/68/50/1030576850.db2.gz DQBGNZSHIDETRI-ROUUACIJSA-N 0 3 329.488 3.858 20 30 EHEDHN CC(C)CC[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000527377733 1030889045 /nfs/dbraw/zinc/88/90/45/1030889045.db2.gz PACKAYOEUQDKAT-KRWDZBQOSA-N 0 3 347.890 3.969 20 30 EHEDHN CN(C)CCN(C(=O)N[C@H](CCC#N)c1ccccc1)C1CCCC1 ZINC000160699438 1030943888 /nfs/dbraw/zinc/94/38/88/1030943888.db2.gz QEXSCSIAVBEHQN-LJQANCHMSA-N 0 3 342.487 3.547 20 30 EHEDHN Cc1nc(NCC(C)(C)CCC#N)cc(NCC(C)(C)CCC#N)n1 ZINC000583893586 1031058223 /nfs/dbraw/zinc/05/82/23/1031058223.db2.gz GIMWIAXXBKGGGE-UHFFFAOYSA-N 0 3 342.491 3.691 20 30 EHEDHN COc1cc(F)cc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527810485 1031245064 /nfs/dbraw/zinc/24/50/64/1031245064.db2.gz MFAYGEBEQHVFDG-UHFFFAOYSA-N 0 3 340.398 3.501 20 30 EHEDHN CC(C)O[C@@]1(C)C[C@H]1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000527797918 1031272600 /nfs/dbraw/zinc/27/26/00/1031272600.db2.gz FRUSXEQJIYFJDU-QUCCMNQESA-N 0 3 338.455 3.509 20 30 EHEDHN CC(C)(C)OC(=O)CCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000343547528 1031339739 /nfs/dbraw/zinc/33/97/39/1031339739.db2.gz HBMXWTZPUDDPGU-UHFFFAOYSA-N 0 3 344.455 3.523 20 30 EHEDHN CC[C@H](NCc1ccc(S(=O)(=O)CC)cc1)c1ccc(C#N)cc1 ZINC000278644104 1031802637 /nfs/dbraw/zinc/80/26/37/1031802637.db2.gz HSOJWWHTKAZEST-IBGZPJMESA-N 0 3 342.464 3.593 20 30 EHEDHN C=CCN(CC(=O)N(CC(F)(F)F)C(C)C)CC1CCCCC1 ZINC000484686307 1031883720 /nfs/dbraw/zinc/88/37/20/1031883720.db2.gz AWNNAHKVRLQSJK-UHFFFAOYSA-N 0 3 334.426 3.854 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CNC(C)(C)c1ccccc1Br ZINC000598603152 1033309040 /nfs/dbraw/zinc/30/90/40/1033309040.db2.gz YGQOFSVMKYAVBC-LBPRGKRZSA-N 0 3 339.277 3.575 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000594431963 1033368305 /nfs/dbraw/zinc/36/83/05/1033368305.db2.gz TYJBQVWGMPSLPO-MRXNPFEDSA-N 0 3 341.386 3.968 20 30 EHEDHN Cc1c2ccccc2oc1[C@H](NC(=O)[C@H](N)CCCCC#N)C(C)C ZINC000594434713 1033372522 /nfs/dbraw/zinc/37/25/22/1033372522.db2.gz RWWBWQHWZJYPPW-SJLPKXTDSA-N 0 3 341.455 3.966 20 30 EHEDHN CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594440407 1033373660 /nfs/dbraw/zinc/37/36/60/1033373660.db2.gz ZBDDKKHTFHIDIT-YOEHRIQHSA-N 0 3 333.501 3.776 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000594426553 1033388067 /nfs/dbraw/zinc/38/80/67/1033388067.db2.gz FBAXTMGMWQWQLF-LEWJYISDSA-N 0 3 349.478 3.888 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000594425268 1033389004 /nfs/dbraw/zinc/38/90/04/1033389004.db2.gz HBUPYFCISPRHOO-LJQANCHMSA-N 0 3 345.462 3.898 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000594426791 1033390160 /nfs/dbraw/zinc/39/01/60/1033390160.db2.gz FMVBKHDTORHHIG-MSOLQXFVSA-N 0 3 331.435 3.584 20 30 EHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1 ZINC000129827844 1033460043 /nfs/dbraw/zinc/46/00/43/1033460043.db2.gz SRIIXBMFOGERIH-GOEBONIOSA-N 0 3 336.391 3.536 20 30 EHEDHN CC(C)(C#N)c1ccc(CN[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000594612726 1033477488 /nfs/dbraw/zinc/47/74/88/1033477488.db2.gz QDWDYZQNXLJYFF-SFHVURJKSA-N 0 3 339.483 3.511 20 30 EHEDHN Cc1cc(C)cc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000594973259 1033577765 /nfs/dbraw/zinc/57/77/65/1033577765.db2.gz KVQCRRUCJMZZNC-UHFFFAOYSA-N 0 3 345.450 3.765 20 30 EHEDHN N#CC(C(=O)[C@H]1C[C@@]12CCc1ccccc12)c1nc2ccccc2[nH]1 ZINC000173903533 1033615082 /nfs/dbraw/zinc/61/50/82/1033615082.db2.gz GZIZFBWBWAIUFS-IUSZMWJPSA-N 0 3 327.387 3.643 20 30 EHEDHN COCc1cccc(CNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000594982223 1033615468 /nfs/dbraw/zinc/61/54/68/1033615468.db2.gz APVSGVVXXDFFOY-UHFFFAOYSA-N 0 3 336.435 3.500 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2scnc2C)cc1 ZINC000173985068 1033664162 /nfs/dbraw/zinc/66/41/62/1033664162.db2.gz LTQRVJGLBFJLGY-XHDPSFHLSA-N 0 3 341.436 3.926 20 30 EHEDHN Cn1c2cc(CN[C@@H]3CCCCc4cc(C#N)ccc43)ccc2oc1=O ZINC000599085373 1033724819 /nfs/dbraw/zinc/72/48/19/1033724819.db2.gz ZMGHJCVTYLXQHJ-GOSISDBHSA-N 0 3 347.418 3.560 20 30 EHEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccoc1 ZINC000102408021 1033811794 /nfs/dbraw/zinc/81/17/94/1033811794.db2.gz WJOFCVPBYOZMBT-UHFFFAOYSA-N 0 3 343.452 3.552 20 30 EHEDHN CN(CCCCc1ccccc1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000603854480 1033978614 /nfs/dbraw/zinc/97/86/14/1033978614.db2.gz AQRCEVHAJNCSHN-UHFFFAOYSA-N 0 3 341.499 3.626 20 30 EHEDHN C[C@H]1Cc2ccccc2N1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000604483222 1034388950 /nfs/dbraw/zinc/38/89/50/1034388950.db2.gz GXRHEIYFSWXAEY-KRWDZBQOSA-N 0 3 331.463 3.974 20 30 EHEDHN C[C@H]1CCCC[C@H]1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000604482185 1034389350 /nfs/dbraw/zinc/38/93/50/1034389350.db2.gz FKDMFQBNZKFGQW-PXNSSMCTSA-N 0 3 341.499 3.665 20 30 EHEDHN Cc1cnccc1OC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597119752 1034547134 /nfs/dbraw/zinc/54/71/34/1034547134.db2.gz XWIIBJYZHOQINB-UHFFFAOYSA-N 0 3 347.462 3.989 20 30 EHEDHN CCN(C(=O)c1cccc(C#N)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000060543831 1034713727 /nfs/dbraw/zinc/71/37/27/1034713727.db2.gz MYPOQJRLPBHSMG-LAUBAEHRSA-N 0 3 347.462 3.856 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1(C)CCC1 ZINC000450742769 1034747820 /nfs/dbraw/zinc/74/78/20/1034747820.db2.gz CXUUJAUAASRFNB-UHFFFAOYSA-N 0 3 334.533 3.775 20 30 EHEDHN N#CC(C(=O)CC[C@H]1CCc2ccccc21)C(=O)NCc1ccccc1 ZINC000892485288 1034779566 /nfs/dbraw/zinc/77/95/66/1034779566.db2.gz WYFVDVWFJOICJJ-UYAOXDASSA-N 0 3 346.430 3.522 20 30 EHEDHN COC(=O)Nc1cccc(CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC000376121927 1035300030 /nfs/dbraw/zinc/30/00/30/1035300030.db2.gz CDSMVBQCZXGDKY-UHFFFAOYSA-N 0 3 335.407 3.578 20 30 EHEDHN C=CCn1c(SCCN(C)Cc2ccc(F)cc2)nnc1C1CC1 ZINC000185682322 1035511579 /nfs/dbraw/zinc/51/15/79/1035511579.db2.gz CFEIEZFYZLHWCC-UHFFFAOYSA-N 0 3 346.475 3.705 20 30 EHEDHN Cc1c(Cl)cnc(NC[C@H](c2ccc(F)cc2)N(C)C)c1C#N ZINC000541277611 1036134465 /nfs/dbraw/zinc/13/44/65/1036134465.db2.gz IMIDELTVUYZPNU-MRXNPFEDSA-N 0 3 332.810 3.769 20 30 EHEDHN N#CC(C(=O)c1ccc(C2(C#N)CC2)cc1)c1cnc2ccccc2n1 ZINC000190944937 1036305859 /nfs/dbraw/zinc/30/58/59/1036305859.db2.gz XBDFHLKOOMSMSR-INIZCTEOSA-N 0 3 338.370 3.675 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2cccc(-n3ccnc3)c2)cc1C#N ZINC000174650861 1036708435 /nfs/dbraw/zinc/70/84/35/1036708435.db2.gz AJQOMZGATAWXCO-HNNXBMFYSA-N 0 3 332.407 3.603 20 30 EHEDHN N#Cc1ccc(CNC[C@@H](c2ccccc2Cl)N2CCCC2)o1 ZINC000539418521 1036741160 /nfs/dbraw/zinc/74/11/60/1036741160.db2.gz FKGXCMBYZJXUTP-SFHVURJKSA-N 0 3 329.831 3.731 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](CSc2ccccc2)C1 ZINC000464763199 1036747387 /nfs/dbraw/zinc/74/73/87/1036747387.db2.gz OFCNCTCAOHYWBQ-KRWDZBQOSA-N 0 3 332.513 3.525 20 30 EHEDHN CC#CCCN(Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000462336533 1036847141 /nfs/dbraw/zinc/84/71/41/1036847141.db2.gz RNDZZYHIGILSMC-UHFFFAOYSA-N 0 3 328.504 3.647 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3cccs3)o2)CC1 ZINC000542137350 1037098451 /nfs/dbraw/zinc/09/84/51/1037098451.db2.gz HRDXURMNJVCENL-UHFFFAOYSA-N 0 3 330.453 3.778 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290208176 1037500325 /nfs/dbraw/zinc/50/03/25/1037500325.db2.gz UWNQUKWIHPLGOL-OAQYLSRUSA-N 0 3 348.446 3.751 20 30 EHEDHN C=CCCC[C@H](C)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000540296684 1037777523 /nfs/dbraw/zinc/77/75/23/1037777523.db2.gz APMLJEVJXVQJPV-SFHVURJKSA-N 0 3 344.499 3.517 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000592296075 1037912649 /nfs/dbraw/zinc/91/26/49/1037912649.db2.gz YGTOKJJBEQQLOT-FQEVSTJZSA-N 0 3 341.499 3.868 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCCC23CCCC3)CC1 ZINC000463339837 1038064067 /nfs/dbraw/zinc/06/40/67/1038064067.db2.gz KMZOGTGZPHTKGY-GOSISDBHSA-N 0 3 333.520 3.829 20 30 EHEDHN C=CCN1CCC(NC(=O)C[C@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000488850967 1039432833 /nfs/dbraw/zinc/43/28/33/1039432833.db2.gz IEDOBJFIMCXHSF-IAGOWNOFSA-N 0 3 326.484 3.743 20 30 EHEDHN CC(C)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000054667662 1039460127 /nfs/dbraw/zinc/46/01/27/1039460127.db2.gz WGGRHOMITCPKTP-ZWKOTPCHSA-N 0 3 335.879 3.681 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](c2ccccc2)C2CC2)CC1 ZINC000431926404 1039483596 /nfs/dbraw/zinc/48/35/96/1039483596.db2.gz PPHKMVPDCNXSAD-HXUWFJFHSA-N 0 3 341.499 3.520 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000613734674 1039544146 /nfs/dbraw/zinc/54/41/46/1039544146.db2.gz SHOWHCPEBOLBNL-SFHVURJKSA-N 0 3 339.483 3.772 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(C(C)C)c(C)s2)CC1 ZINC000667370820 1039614026 /nfs/dbraw/zinc/61/40/26/1039614026.db2.gz LMCOGCDCXGJBRO-UHFFFAOYSA-N 0 3 336.505 3.737 20 30 EHEDHN N#Cc1ccc(N2CCC[C@@H](N3CC[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000489179605 1039703793 /nfs/dbraw/zinc/70/37/93/1039703793.db2.gz ZIZZTWPCECMMPE-TZIWHRDSSA-N 0 3 345.446 3.543 20 30 EHEDHN CN(CC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000728933334 1039801985 /nfs/dbraw/zinc/80/19/85/1039801985.db2.gz GSOYCZFHMMYNON-UHFFFAOYSA-N 0 3 343.471 3.637 20 30 EHEDHN C=CCC[C@@H](NC[C@]1(COC)OCCc2ccccc21)c1ccco1 ZINC000554994191 1040029592 /nfs/dbraw/zinc/02/95/92/1040029592.db2.gz KKFFFBQEXUJMTB-TZIWHRDSSA-N 0 3 341.451 3.991 20 30 EHEDHN C=CC[C@@H](C(=O)N[C@H](C)CN(C)Cc1ccccc1)c1ccccc1 ZINC000489661643 1040126531 /nfs/dbraw/zinc/12/65/31/1040126531.db2.gz RBOGNZWYVOQOBW-WIYYLYMNSA-N 0 3 336.479 3.983 20 30 EHEDHN COc1ccccc1N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512637097 1040363704 /nfs/dbraw/zinc/36/37/04/1040363704.db2.gz RLVVVLHMJDCODM-HOCLYGCPSA-N 0 3 339.414 3.635 20 30 EHEDHN C[C@@H](NC(=O)CN[C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433033003 1040515006 /nfs/dbraw/zinc/51/50/06/1040515006.db2.gz CNENUJGHLGWPIE-XLIONFOSSA-N 0 3 335.451 3.889 20 30 EHEDHN C=CCC[C@H](NCc1nc2c(s1)COCC2)[C@]1(C)CCCCO1 ZINC000927116183 1040542165 /nfs/dbraw/zinc/54/21/65/1040542165.db2.gz UDUBEZCKQQLXAM-WMZOPIPTSA-N 0 3 336.501 3.599 20 30 EHEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)C1=O ZINC000499605270 1040786459 /nfs/dbraw/zinc/78/64/59/1040786459.db2.gz IXYAGHYAMIKREE-JKSUJKDBSA-N 0 3 340.389 3.779 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccccc2COC(C)(C)CC)CC1 ZINC000490938187 1040840904 /nfs/dbraw/zinc/84/09/04/1040840904.db2.gz WPDNXWLMWUYJAJ-UHFFFAOYSA-N 0 3 342.483 3.676 20 30 EHEDHN C[C@H]1CCCC[C@H]1OCCN1CCCN(c2ccccc2C#N)CC1 ZINC000491074363 1040885395 /nfs/dbraw/zinc/88/53/95/1040885395.db2.gz JBDMCARPHRWHCH-GHTZIAJQSA-N 0 3 341.499 3.666 20 30 EHEDHN Cc1ccc(F)cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000491090350 1040911965 /nfs/dbraw/zinc/91/19/65/1040911965.db2.gz PFNGDKDZVIDNIF-UHFFFAOYSA-N 0 3 337.442 3.714 20 30 EHEDHN N#C[C@H]1CCC[C@H](N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000192849223 1040922179 /nfs/dbraw/zinc/92/21/79/1040922179.db2.gz TZZACONMBXJDLK-JBACZVJFSA-N 0 3 347.462 3.908 20 30 EHEDHN N#Cc1ccccc1CSCCNCc1ccc(-c2cc[nH]n2)o1 ZINC000433305624 1041245378 /nfs/dbraw/zinc/24/53/78/1041245378.db2.gz QIQVVILFTAFIHV-UHFFFAOYSA-N 0 3 338.436 3.564 20 30 EHEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1(C)C ZINC000759924063 1041741363 /nfs/dbraw/zinc/74/13/63/1041741363.db2.gz UQRCNCLAAGMMJR-KGLIPLIRSA-N 0 3 341.480 3.841 20 30 EHEDHN C=CCN(CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)C(C)(C)C ZINC000661754926 1042307327 /nfs/dbraw/zinc/30/73/27/1042307327.db2.gz HJTSINJLKINHSA-IBGZPJMESA-N 0 3 330.472 3.549 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000662084396 1042501451 /nfs/dbraw/zinc/50/14/51/1042501451.db2.gz RBYWRGNZPCRYGL-CWRNSKLLSA-N 0 3 325.412 3.989 20 30 EHEDHN CC1(C)CC[C@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc21 ZINC000093899863 1042585892 /nfs/dbraw/zinc/58/58/92/1042585892.db2.gz FGGRRKSPKQCFKA-YLJYHZDGSA-N 0 3 347.462 3.529 20 30 EHEDHN CCCNC(=O)C1(NCc2cc(Cl)cc(C#N)c2)CCCCC1 ZINC001167803671 1042788049 /nfs/dbraw/zinc/78/80/49/1042788049.db2.gz CHICEKXFNFOPLL-UHFFFAOYSA-N 0 3 333.863 3.530 20 30 EHEDHN COc1ccc([C@@H](CN(C)C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000585765647 1043029600 /nfs/dbraw/zinc/02/96/00/1043029600.db2.gz JEKOXNDHZMWJNL-FGZHOGPDSA-N 0 3 349.478 3.837 20 30 EHEDHN CC(C)[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N(C)C ZINC000106910554 1043097568 /nfs/dbraw/zinc/09/75/68/1043097568.db2.gz GVRGHUWQNABBQS-LJQANCHMSA-N 0 3 337.423 3.875 20 30 EHEDHN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1CC=CCC1 ZINC000344071323 1043209438 /nfs/dbraw/zinc/20/94/38/1043209438.db2.gz RXSBFUADLKETPT-INIZCTEOSA-N 0 3 345.874 3.875 20 30 EHEDHN CCCCCCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000318888640 1044074218 /nfs/dbraw/zinc/07/42/18/1044074218.db2.gz HPAQRPHGWXQGRB-INIZCTEOSA-N 0 3 327.465 3.994 20 30 EHEDHN N#CCCn1cc(CN2CCC[C@H]3CCC[C@H]32)c(-c2ccncc2)n1 ZINC000279494276 1044133795 /nfs/dbraw/zinc/13/37/95/1044133795.db2.gz YFJPGRBHDQPRLC-VQIMIIECSA-N 0 3 335.455 3.623 20 30 EHEDHN Cn1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000344607711 1044190276 /nfs/dbraw/zinc/19/02/76/1044190276.db2.gz WWFMHZBUTNMYTL-UHFFFAOYSA-N 0 3 331.419 3.766 20 30 EHEDHN CC(C)(C#N)c1ccccc1CNC(C)(C)C(=O)NCC1CCCC1 ZINC000155114571 1125787876 /nfs/dbraw/zinc/78/78/76/1125787876.db2.gz QENYSARLHDEBRZ-UHFFFAOYSA-N 0 3 341.499 3.662 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000192591327 1126920026 /nfs/dbraw/zinc/92/00/26/1126920026.db2.gz DWVNCINGTGYFGC-HNAYVOBHSA-N 0 3 330.472 3.549 20 30 EHEDHN C#CCN(C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C)C1CC1 ZINC000763948626 1126952421 /nfs/dbraw/zinc/95/24/21/1126952421.db2.gz CGSKNXVIWIIILB-FYYLOGMGSA-N 0 3 349.474 3.560 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCC2=Cc3ccccc3OC2)c1 ZINC000073012329 1126975142 /nfs/dbraw/zinc/97/51/42/1126975142.db2.gz SIDKWQAYNACWEO-LJQANCHMSA-N 0 3 334.419 3.933 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000181061624 1127265676 /nfs/dbraw/zinc/26/56/76/1127265676.db2.gz NBQXFIVYFLWAQU-KSSFIOAISA-N 0 3 333.451 3.511 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000181060204 1127265753 /nfs/dbraw/zinc/26/57/53/1127265753.db2.gz KWCQLYKIBCKWGW-MJGOQNOKSA-N 0 3 333.451 3.557 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000181354425 1127274436 /nfs/dbraw/zinc/27/44/36/1127274436.db2.gz WPRBNKXSDNFIGI-ASPXRTSYSA-N 0 3 327.472 3.657 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000765038212 1127564664 /nfs/dbraw/zinc/56/46/64/1127564664.db2.gz QKWBNJSOUOWYOZ-HZPDHXFCSA-N 0 3 348.446 3.995 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1N1CCOCC1 ZINC000172395048 1127938282 /nfs/dbraw/zinc/93/82/82/1127938282.db2.gz KJFYRFYKSATUGB-KRWDZBQOSA-N 0 3 335.451 3.588 20 30 EHEDHN C=CCOc1ccc(CN[C@@H]2CCc3c2cccc3O)cc1OC ZINC000105487435 1127962085 /nfs/dbraw/zinc/96/20/85/1127962085.db2.gz ZZTDNEXJCKQTIK-QGZVFWFLSA-N 0 3 325.408 3.743 20 30 EHEDHN CN(C)[C@@H](CNc1cc(C#N)nc2ccccc21)c1ccc(F)cc1 ZINC000301368718 1128587952 /nfs/dbraw/zinc/58/79/52/1128587952.db2.gz OQGHCZRLKVFYKY-FQEVSTJZSA-N 0 3 334.398 3.960 20 30 EHEDHN CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000302110668 1128620579 /nfs/dbraw/zinc/62/05/79/1128620579.db2.gz PHPJAUBFTFFVPC-FQEVSTJZSA-N 0 3 333.435 3.837 20 30 EHEDHN CC(C)(CNc1c(C#N)cccc1C#N)N1CCc2ccccc2C1 ZINC000302851198 1128651682 /nfs/dbraw/zinc/65/16/82/1128651682.db2.gz PZMHXLMOWYPGTC-UHFFFAOYSA-N 0 3 330.435 3.679 20 30 EHEDHN Cc1ccc(CN[C@H]2Cc3ccc(C#N)cc3C2)c(Br)c1 ZINC001203446152 1128731374 /nfs/dbraw/zinc/73/13/74/1128731374.db2.gz DCINGWGCPBYZHB-KRWDZBQOSA-N 0 3 341.252 3.886 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000305748723 1128781537 /nfs/dbraw/zinc/78/15/37/1128781537.db2.gz XJGYHQPRAJIXNK-IRXDYDNUSA-N 0 3 342.464 3.716 20 30 EHEDHN COc1ccccc1[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512636539 1120250516 /nfs/dbraw/zinc/25/05/16/1120250516.db2.gz LUBXKUKZESXHEF-AUUYWEPGSA-N 0 3 341.430 3.659 20 30 EHEDHN Cc1ccc2ncc(C#N)c(NC[C@@H](c3cccs3)N(C)C)c2c1 ZINC000487889662 1121075561 /nfs/dbraw/zinc/07/55/61/1121075561.db2.gz BVEKJARCOXVAJI-KRWDZBQOSA-N 0 3 336.464 3.613 20 30 EHEDHN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(CCCC#N)CC1 ZINC000495971829 1121591764 /nfs/dbraw/zinc/59/17/64/1121591764.db2.gz SXDSRDFPILEAJH-MRXNPFEDSA-N 0 3 335.492 3.648 20 30 EHEDHN N#Cc1ccccc1N1CCCN(CC2=Cc3ccccc3OC2)CC1 ZINC000091792435 1121745091 /nfs/dbraw/zinc/74/50/91/1121745091.db2.gz YCQFQEDUOGISJA-UHFFFAOYSA-N 0 3 345.446 3.546 20 30 EHEDHN N#Cc1ccc(CN2CCCN(Cc3cc(F)cc(F)c3)CC2)cc1 ZINC000122800930 1121898030 /nfs/dbraw/zinc/89/80/30/1121898030.db2.gz BWFQILMIPITLJU-UHFFFAOYSA-N 0 3 341.405 3.544 20 30 EHEDHN C=C(C)CN(C)Cc1cc(Br)c(OCC)c(OC)c1 ZINC000497148514 1122348188 /nfs/dbraw/zinc/34/81/88/1122348188.db2.gz PSGAMNUQCXWUAB-UHFFFAOYSA-N 0 3 328.250 3.864 20 30 EHEDHN CCCCSCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000916938281 1122395532 /nfs/dbraw/zinc/39/55/32/1122395532.db2.gz JMWVKIZHTOEKIL-NSHDSACASA-N 0 3 342.823 3.660 20 30 EHEDHN C=CCOc1cccc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000126790728 1122431552 /nfs/dbraw/zinc/43/15/52/1122431552.db2.gz LFVNAOTZWVRTQE-KRWDZBQOSA-N 0 3 344.499 3.624 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2occc2-c2ccc(F)cc2)CC1 ZINC000126875125 1122449653 /nfs/dbraw/zinc/44/96/53/1122449653.db2.gz SVJVRUWEDKSXNV-UHFFFAOYSA-N 0 3 342.414 3.856 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)CC1 ZINC000917137100 1122530994 /nfs/dbraw/zinc/53/09/94/1122530994.db2.gz LSBLCKACJPSDQM-FXAWDEMLSA-N 0 3 341.499 3.615 20 30 EHEDHN CCC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000917171752 1122548058 /nfs/dbraw/zinc/54/80/58/1122548058.db2.gz SBUVQZDGJWWBIB-CQSZACIVSA-N 0 3 327.453 3.595 20 30 EHEDHN CN1CCC[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 ZINC000918548565 1122844565 /nfs/dbraw/zinc/84/45/65/1122844565.db2.gz XKCOTLZJFNTIOZ-UXHICEINSA-N 0 3 348.450 3.558 20 30 EHEDHN C[C@@H](c1ccccc1Cl)N(CCC(=O)N(C)CCC#N)C1CC1 ZINC000131434047 1123105577 /nfs/dbraw/zinc/10/55/77/1123105577.db2.gz ILJJNMMQOBAUIK-AWEZNQCLSA-N 0 3 333.863 3.628 20 30 EHEDHN CC(C)N(CCOc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350605 1123573704 /nfs/dbraw/zinc/57/37/04/1123573704.db2.gz YBQGBZLYZMNHGF-UHFFFAOYSA-N 0 3 339.395 3.756 20 30 EHEDHN COc1ccc(CNCc2cccc(F)c2)cc1OCCCC#N ZINC000064613834 1123681267 /nfs/dbraw/zinc/68/12/67/1123681267.db2.gz XSERMGGFFHGOEQ-UHFFFAOYSA-N 0 3 328.387 3.807 20 30 EHEDHN Cc1cc(CNCc2c(C)cc(C#N)cc2C)cc(N2CCCC2)n1 ZINC000922139328 1129142523 /nfs/dbraw/zinc/14/25/23/1129142523.db2.gz BFUXWXQKXNBLOD-UHFFFAOYSA-N 0 3 334.467 3.769 20 30 EHEDHN N#Cc1ccc(OCCNCc2cc(C(F)(F)F)ccc2F)cc1 ZINC000237736087 1123830693 /nfs/dbraw/zinc/83/06/93/1123830693.db2.gz FOXLXGGVLSKGPE-UHFFFAOYSA-N 0 3 338.304 3.885 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181313997 1124751897 /nfs/dbraw/zinc/75/18/97/1124751897.db2.gz JAZGCFKSPFXPNP-ROUUACIJSA-N 0 3 349.478 3.988 20 30 EHEDHN CN(Cc1ccccc1)Cc1cccc(C(=O)O[C@@H](C#N)C2CC2)c1 ZINC000181570517 1124943666 /nfs/dbraw/zinc/94/36/66/1124943666.db2.gz NABQJEXSKMHQOG-FQEVSTJZSA-N 0 3 334.419 3.778 20 30 EHEDHN C=CCOc1ccc(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000093280915 1125215934 /nfs/dbraw/zinc/21/59/34/1125215934.db2.gz GZRXNGPKEOHKSB-SFHVURJKSA-N 0 3 344.499 3.626 20 30 EHEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1cccnc1Br ZINC000922604368 1129593998 /nfs/dbraw/zinc/59/39/98/1129593998.db2.gz SKDUOOOELMRWEC-UHFFFAOYSA-N 0 3 344.256 3.827 20 30 EHEDHN N#Cc1cc(F)c(NC[C@@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000390661972 1129628264 /nfs/dbraw/zinc/62/82/64/1129628264.db2.gz OFENKQYEQWFKOG-INIZCTEOSA-N 0 3 327.378 3.913 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)c3ccccc32)CC1 ZINC000675098974 1130250251 /nfs/dbraw/zinc/25/02/51/1130250251.db2.gz CWKYVRZWEDKWBJ-UHFFFAOYSA-N 0 3 327.472 3.534 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2csc3ccccc32)CC1 ZINC000730126733 1130674838 /nfs/dbraw/zinc/67/48/38/1130674838.db2.gz RPWKTIJLVFHGOA-CQSZACIVSA-N 0 3 343.496 3.912 20 30 EHEDHN COc1ccc(C2(NCc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000731678593 1130831964 /nfs/dbraw/zinc/83/19/64/1130831964.db2.gz RLFKBWVLAMRTQK-UHFFFAOYSA-N 0 3 335.451 3.824 20 30 EHEDHN CCc1ccc(CN(C)Cn2c(C)nnc2-c2cccc(C#N)c2)cc1 ZINC000739830630 1131513932 /nfs/dbraw/zinc/51/39/32/1131513932.db2.gz HWOZXXPRNNSGQA-UHFFFAOYSA-N 0 3 345.450 3.777 20 30 EHEDHN C[C@@H](CCCC#N)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001172499279 1131760053 /nfs/dbraw/zinc/76/00/53/1131760053.db2.gz WASNVQCHITZPGP-HNNXBMFYSA-N 0 3 339.405 3.905 20 30 EHEDHN C[C@@H](CCCC#N)N1CC(c2ncn3cc(Br)ccc23)C1 ZINC001172498521 1131760567 /nfs/dbraw/zinc/76/05/67/1131760567.db2.gz NUXZWERWRLTYLH-LBPRGKRZSA-N 0 3 347.260 3.578 20 30 EHEDHN CCOC(=O)C1(C#N)CCN([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172550014 1131767127 /nfs/dbraw/zinc/76/71/27/1131767127.db2.gz SJDXMDGMZSLSRD-MOPGFXCFSA-N 0 3 340.467 3.882 20 30 EHEDHN C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000743464722 1131927880 /nfs/dbraw/zinc/92/78/80/1131927880.db2.gz ODZFDULVSZZWBS-INIZCTEOSA-N 0 3 333.435 3.645 20 30 EHEDHN N#CCCN(C1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173002079 1131934838 /nfs/dbraw/zinc/93/48/38/1131934838.db2.gz VZEXIXCMSWMSHT-UHFFFAOYSA-N 0 3 343.446 3.589 20 30 EHEDHN CC1(C#N)CCC(N2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC001173595919 1132100044 /nfs/dbraw/zinc/10/00/44/1132100044.db2.gz BOZRPIUUMWZHIK-UHFFFAOYSA-N 0 3 331.891 3.930 20 30 EHEDHN CCCCn1cc(CNCc2ccc(N(C)CCC#N)cc2)c(C)n1 ZINC000773408251 1132480511 /nfs/dbraw/zinc/48/05/11/1132480511.db2.gz FTZRADUSGHCJGM-UHFFFAOYSA-N 0 3 339.487 3.631 20 30 EHEDHN C[C@@H]1CC(N=Nc2cnnc3ccccc23)CN(Cc2ccccc2)C1 ZINC000767381427 1132994337 /nfs/dbraw/zinc/99/43/37/1132994337.db2.gz XIFKGLXVMASNDU-MRXNPFEDSA-N 0 3 345.450 3.940 20 30 EHEDHN N#Cc1ccc(C2(NCc3ccc4scnc4c3)CCOCC2)cc1 ZINC001179344001 1133246076 /nfs/dbraw/zinc/24/60/76/1133246076.db2.gz WUYBHHGPDICHOW-UHFFFAOYSA-N 0 3 349.459 3.963 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H](F)c1ccccc1 ZINC000769282742 1133254304 /nfs/dbraw/zinc/25/43/04/1133254304.db2.gz PJJDOCJDJRQLOR-DOMZBBRYSA-N 0 3 330.746 3.698 20 30 EHEDHN C=CCOc1ccc(CN2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)cc1 ZINC001204297294 1133488801 /nfs/dbraw/zinc/48/88/01/1133488801.db2.gz KIFCNFAVLMBEHH-YOEHRIQHSA-N 0 3 343.389 3.777 20 30 EHEDHN N#Cc1cc(NC(=O)CC2CC[NH+](Cc3ccccc3)CC2)ccc1[O-] ZINC001182039936 1133565427 /nfs/dbraw/zinc/56/54/27/1133565427.db2.gz FUEWGGXZSYSUGX-UHFFFAOYSA-N 0 3 349.434 3.505 20 30 EHEDHN C#CCN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000772596695 1133706785 /nfs/dbraw/zinc/70/67/85/1133706785.db2.gz AATUQIMCIMKQDW-HSZRJFAPSA-N 0 3 346.474 3.646 20 30 EHEDHN C[C@@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)CC(C)(C)C ZINC000787073364 1133945943 /nfs/dbraw/zinc/94/59/43/1133945943.db2.gz ONFIDJDEBRVYCW-RDJZCZTQSA-N 0 3 328.456 3.816 20 30 EHEDHN C[C@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CCCCC1 ZINC000787074483 1133945979 /nfs/dbraw/zinc/94/59/79/1133945979.db2.gz VPFVPGPXYIXBEM-APWZRJJASA-N 0 3 340.467 3.960 20 30 EHEDHN CC(C)(C)c1cnc(CCC(=O)C(C#N)c2nc3ccccc3o2)o1 ZINC000788180170 1134087339 /nfs/dbraw/zinc/08/73/39/1134087339.db2.gz MFMLQCGMOPTNAA-GFCCVEGCSA-N 0 3 337.379 3.922 20 30 EHEDHN COc1ccc(CNCc2cccc(-c3cccnc3)c2)cc1C#N ZINC000746733522 1134091284 /nfs/dbraw/zinc/09/12/84/1134091284.db2.gz GKXSOXSOVWIFID-UHFFFAOYSA-N 0 3 329.403 3.919 20 30 EHEDHN C#CCC1(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CCCCC1 ZINC000788212134 1134095082 /nfs/dbraw/zinc/09/50/82/1134095082.db2.gz FHOZWLMNEFSQBJ-GOSISDBHSA-N 0 3 326.484 3.597 20 30 EHEDHN C#C[C@@H](C)N(C)Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000775185193 1134492289 /nfs/dbraw/zinc/49/22/89/1134492289.db2.gz YUWMORZVHCKKHZ-QGZVFWFLSA-N 0 3 333.435 3.675 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc(F)c3F)nc21 ZINC000775241062 1134577098 /nfs/dbraw/zinc/57/70/98/1134577098.db2.gz VYQCKLWCHWNQJB-LBPRGKRZSA-N 0 3 325.318 3.569 20 30 EHEDHN CC(C)N(CCN(C)C(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000792212059 1134671774 /nfs/dbraw/zinc/67/17/74/1134671774.db2.gz KKDUVFOTGKZERA-UHFFFAOYSA-N 0 3 331.460 3.636 20 30 EHEDHN Cc1nccn1-c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000775374482 1134683560 /nfs/dbraw/zinc/68/35/60/1134683560.db2.gz CYMWKLCOMRXGQJ-FQEVSTJZSA-N 0 3 343.434 3.615 20 30 EHEDHN C#CCN(CCC(=O)OCc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001190527860 1134712869 /nfs/dbraw/zinc/71/28/69/1134712869.db2.gz HVZOXLWLEFGDRL-OAQYLSRUSA-N 0 3 333.431 3.743 20 30 EHEDHN C=CCN(CC1CCCCC1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001190985927 1134775458 /nfs/dbraw/zinc/77/54/58/1134775458.db2.gz VARQZZYIUUIWGB-LJQANCHMSA-N 0 3 330.447 3.999 20 30 EHEDHN CCCCCCCCNC(=O)N1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001191069535 1134786637 /nfs/dbraw/zinc/78/66/37/1134786637.db2.gz LRDTWVAMSMLQMF-DLBZAZTESA-N 0 3 327.488 3.565 20 30 EHEDHN C[C@@H](Cn1ncc2ccccc21)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000793121555 1134851180 /nfs/dbraw/zinc/85/11/80/1134851180.db2.gz DGDYOVFYSGJFKH-ZFWWWQNUSA-N 0 3 344.374 3.690 20 30 EHEDHN CC[C@@H](C)CN(CC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001191375494 1134859329 /nfs/dbraw/zinc/85/93/29/1134859329.db2.gz ULQBGWCXULBFFM-MRXNPFEDSA-N 0 3 329.488 3.918 20 30 EHEDHN C=CCCCCCN1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC001193687697 1135171736 /nfs/dbraw/zinc/17/17/36/1135171736.db2.gz UEYIGHMRHBMIJS-UHFFFAOYSA-N 0 3 327.394 3.969 20 30 EHEDHN CC1(C)CN(CCOc2ccccc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC001193817879 1135188519 /nfs/dbraw/zinc/18/85/19/1135188519.db2.gz FGYMIXOVQJQADT-MMOPVJDHSA-N 0 3 340.467 3.607 20 30 EHEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cccc(Cl)c1)CC2 ZINC001203798929 1135299755 /nfs/dbraw/zinc/29/97/55/1135299755.db2.gz NTMCZWRKTVZXEX-IBGZPJMESA-N 0 3 332.875 3.873 20 30 EHEDHN C#CC[C@@H](OC(=O)c1cccc(CN2CCCC2)c1)c1ccccn1 ZINC000805874371 1135342780 /nfs/dbraw/zinc/34/27/80/1135342780.db2.gz HCHNTJPBMTVBBI-HXUWFJFHSA-N 0 3 334.419 3.599 20 30 EHEDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1[O-] ZINC000808706690 1135716869 /nfs/dbraw/zinc/71/68/69/1135716869.db2.gz RENBGIALBZSOCW-CYBMUJFWSA-N 0 3 330.815 3.955 20 30 EHEDHN N#Cc1cccc(OCCN2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001170594208 1135907348 /nfs/dbraw/zinc/90/73/48/1135907348.db2.gz RRHCZCRAVBJACU-LJQANCHMSA-N 0 3 342.826 3.744 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccccc1)C1CCCCC1 ZINC000776005374 1135915854 /nfs/dbraw/zinc/91/58/54/1135915854.db2.gz FWAKZFKJAITDOD-HXUWFJFHSA-N 0 3 327.472 3.660 20 30 EHEDHN CCCC[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000810126409 1135924623 /nfs/dbraw/zinc/92/46/23/1135924623.db2.gz XCZQRDBHYRWVKK-UONOGXRCSA-N 0 3 329.469 3.983 20 30 EHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)N3CCCC3)cc1)CC2 ZINC000810212775 1135938135 /nfs/dbraw/zinc/93/81/35/1135938135.db2.gz XYTHZZSWIRXQRD-NRFANRHFSA-N 0 3 345.446 3.571 20 30 EHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCC(=O)N2 ZINC000810208870 1135943499 /nfs/dbraw/zinc/94/34/99/1135943499.db2.gz GZMKTOKPMBOYEG-RBZFPXEDSA-N 0 3 331.419 3.781 20 30 EHEDHN CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000810437854 1135964647 /nfs/dbraw/zinc/96/46/47/1135964647.db2.gz JQRDDWGZEAXHBC-FOIQADDNSA-N 0 3 345.462 3.680 20 30 EHEDHN CCCNc1ccc(C#N)cc1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810436015 1135964759 /nfs/dbraw/zinc/96/47/59/1135964759.db2.gz JIOTWENVGMVSKJ-IBGZPJMESA-N 0 3 346.450 3.531 20 30 EHEDHN C#CCN1CCC(C(=O)NC(C2CCCCC2)C2CCCCC2)CC1 ZINC001132796911 1136085706 /nfs/dbraw/zinc/08/57/06/1136085706.db2.gz GQFKXSCMYBEZRG-UHFFFAOYSA-N 0 3 344.543 3.977 20 30 EHEDHN C=CC[C@@H](CO)NCc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001202194246 1136109159 /nfs/dbraw/zinc/10/91/59/1136109159.db2.gz NIMSEZGPVDVYEZ-INIZCTEOSA-N 0 3 337.341 3.923 20 30 EHEDHN C=CCC1(CNCc2c(C(=O)OC(C)(C)C)cnn2C)CCCC1 ZINC001202381297 1136137191 /nfs/dbraw/zinc/13/71/91/1136137191.db2.gz MDNJPYOUYVXAIY-UHFFFAOYSA-N 0 3 333.476 3.602 20 30 EHEDHN N#Cc1ccc(-c2cccc(CNCc3cnc4n3CCC4)c2)s1 ZINC000850152852 1136215155 /nfs/dbraw/zinc/21/51/55/1136215155.db2.gz KXQRZHPODAAALT-UHFFFAOYSA-N 0 3 334.448 3.719 20 30 EHEDHN C#C[C@@H](NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC000812793323 1136251441 /nfs/dbraw/zinc/25/14/41/1136251441.db2.gz UAVDEHLIPYAJKX-YLJYHZDGSA-N 0 3 346.446 3.737 20 30 EHEDHN C#C[C@@H](N[C@@H](C)CCc1ccc(OC)c(O)c1)c1ccc(F)cc1 ZINC000812792881 1136251720 /nfs/dbraw/zinc/25/17/20/1136251720.db2.gz JUIAAYNYNMJXON-KBXCAEBGSA-N 0 3 327.399 3.825 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H](OC)C2CCC2)cc1 ZINC000850762592 1136301800 /nfs/dbraw/zinc/30/18/00/1136301800.db2.gz ZOCZLQVRHKIOMS-BOFPYLFWSA-N 0 3 342.439 3.663 20 30 EHEDHN N#CC(C(=O)c1ccnc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000813214262 1136303704 /nfs/dbraw/zinc/30/37/04/1136303704.db2.gz QDQHWEYVHWKQNM-SNVBAGLBSA-N 0 3 325.677 3.639 20 30 EHEDHN Cc1ccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c(C)c1 ZINC000813218137 1136304433 /nfs/dbraw/zinc/30/44/33/1136304433.db2.gz MHURJHWSGRXLGW-CQSZACIVSA-N 0 3 348.324 3.973 20 30 EHEDHN CC([C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000851108104 1136338396 /nfs/dbraw/zinc/33/83/96/1136338396.db2.gz JMVLOYCURGYYNU-SUMWQHHRSA-N 0 3 348.374 3.939 20 30 EHEDHN CC1(C)CC[C@H]1C(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000851110220 1136338487 /nfs/dbraw/zinc/33/84/87/1136338487.db2.gz YVQNEUQIVVEOIM-SFHVURJKSA-N 0 3 340.467 3.772 20 30 EHEDHN CN(CCSc1ccc(F)cc1F)C[C@H](O)c1cccc(C#N)c1 ZINC000852211268 1136440746 /nfs/dbraw/zinc/44/07/46/1136440746.db2.gz QVKAUQLHJPSFBZ-KRWDZBQOSA-N 0 3 348.418 3.594 20 30 EHEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000852592409 1136468622 /nfs/dbraw/zinc/46/86/22/1136468622.db2.gz PBYFLVRAXJNKLZ-KFWWJZLASA-N 0 3 341.480 3.983 20 30 EHEDHN Cc1cccc(NC2CCN(Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000265957823 1136478375 /nfs/dbraw/zinc/47/83/75/1136478375.db2.gz IKGNHZYOHMYFLH-UHFFFAOYSA-N 0 3 335.451 3.974 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2cscn2)cc1 ZINC000853097512 1136509124 /nfs/dbraw/zinc/50/91/24/1136509124.db2.gz BRGJMIZNLZOKHU-LRDDRELGSA-N 0 3 341.436 3.547 20 30 EHEDHN CC(N=Nc1ccc(F)c(F)c1F)c1ccc(N2CCOCC2)cc1 ZINC000814946704 1136530101 /nfs/dbraw/zinc/53/01/01/1136530101.db2.gz USPDNWKWYNZRID-UHFFFAOYSA-N 0 3 349.356 3.777 20 30 EHEDHN CC(C)CCOc1ccccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000818995094 1136898516 /nfs/dbraw/zinc/89/85/16/1136898516.db2.gz PLULVKJMJNONEM-FQEVSTJZSA-N 0 3 338.451 3.806 20 30 EHEDHN CC1(C)C[C@H](NC[C@H](O)c2ccc(C#N)cc2)c2ccc(F)cc2O1 ZINC000819174205 1136919668 /nfs/dbraw/zinc/91/96/68/1136919668.db2.gz RHKBWAQAJQOXDF-ROUUACIJSA-N 0 3 340.398 3.623 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)C(C)(C)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000858828777 1136993646 /nfs/dbraw/zinc/99/36/46/1136993646.db2.gz VPIUQFNBBFGBDV-FQEVSTJZSA-N 0 3 349.478 3.563 20 30 EHEDHN CCC[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(Cl)c1 ZINC000860477112 1137062263 /nfs/dbraw/zinc/06/22/63/1137062263.db2.gz APSFZTGLOMTQBZ-IAGOWNOFSA-N 0 3 346.858 3.991 20 30 EHEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000119642221 1137204155 /nfs/dbraw/zinc/20/41/55/1137204155.db2.gz YQZJLEJBDJZQBM-RKVPGOIHSA-N 0 3 342.439 3.829 20 30 EHEDHN N#Cc1cncc(CN2CC[C@H](c3ccc(Br)cc3)C2)c1 ZINC001144079382 1137237035 /nfs/dbraw/zinc/23/70/35/1137237035.db2.gz MEJSCHGQNZMOCZ-INIZCTEOSA-N 0 3 342.240 3.705 20 30 EHEDHN CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000794829847 1137267987 /nfs/dbraw/zinc/26/79/87/1137267987.db2.gz RKNFIFBCYGPUDX-ZIAGYGMSSA-N 0 3 349.450 3.993 20 30 EHEDHN N=C(Nc1ccc2c(c1)NC(=S)C2)c1ccc2cc(O)ccc2c1 ZINC001171186515 1137294315 /nfs/dbraw/zinc/29/43/15/1137294315.db2.gz SCCVFPYEGIWCLZ-UHFFFAOYSA-N 0 3 333.416 3.878 20 30 EHEDHN CCCC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000772927259 1137299361 /nfs/dbraw/zinc/29/93/61/1137299361.db2.gz DXYYJDCBDVUFOL-INIZCTEOSA-N 0 3 349.450 3.870 20 30 EHEDHN CC(C)c1cnc(CNC2CCN(c3ccccc3C#N)CC2)s1 ZINC000865695802 1137304771 /nfs/dbraw/zinc/30/47/71/1137304771.db2.gz PFUJDHZNRLMCAM-UHFFFAOYSA-N 0 3 340.496 3.897 20 30 EHEDHN C#Cc1ccc(CN2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001144568115 1137311242 /nfs/dbraw/zinc/31/12/42/1137311242.db2.gz LPLGCEUYGQLPRZ-OAQYLSRUSA-N 0 3 340.467 3.643 20 30 EHEDHN CCCCCCCCCS(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000845934901 1137321477 /nfs/dbraw/zinc/32/14/77/1137321477.db2.gz XWOCQSDFPGDRGU-JWTNVVGKSA-N 0 3 344.565 3.624 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(Cc2ccccc2)C[C@H]1C ZINC001171221906 1137348255 /nfs/dbraw/zinc/34/82/55/1137348255.db2.gz WXDRDVPZVPFGPS-RTBURBONSA-N 0 3 333.479 3.696 20 30 EHEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cc(-c2ccccc2)n(C)n1 ZINC000866615715 1137369677 /nfs/dbraw/zinc/36/96/77/1137369677.db2.gz ISZUXLIHQMHEGL-YWZLYKJASA-N 0 3 342.446 3.777 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(OCC#N)cc1 ZINC000772960697 1137386021 /nfs/dbraw/zinc/38/60/21/1137386021.db2.gz TZKUBTNZLZCYLZ-CABCVRRESA-N 0 3 349.434 3.885 20 30 EHEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000121840115 1137386636 /nfs/dbraw/zinc/38/66/36/1137386636.db2.gz SYCUCCYTWRBBNJ-YJBOKZPZSA-N 0 3 326.440 3.646 20 30 EHEDHN C[C@H](C#N)c1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC001148624699 1137429917 /nfs/dbraw/zinc/42/99/17/1137429917.db2.gz QFJLSQMYGSAKSM-UTKZUKDTSA-N 0 3 347.462 3.881 20 30 EHEDHN C=CCOc1ccccc1[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001171374929 1137462033 /nfs/dbraw/zinc/46/20/33/1137462033.db2.gz ZMXDVTQWWFFKAX-CYBMUJFWSA-N 0 3 339.395 3.936 20 30 EHEDHN Cc1ccc(C)c(N2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172309705 1137545943 /nfs/dbraw/zinc/54/59/43/1137545943.db2.gz WFGQWCIJAFOQAE-LJQANCHMSA-N 0 3 333.479 3.928 20 30 EHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc2oc(=O)[nH]c2c1 ZINC000872122859 1137572638 /nfs/dbraw/zinc/57/26/38/1137572638.db2.gz PDDVCBGWMAYXBI-KRWDZBQOSA-N 0 3 333.391 3.962 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000876601512 1137656778 /nfs/dbraw/zinc/65/67/78/1137656778.db2.gz UYBXBAYXWSAAMB-CQSZACIVSA-N 0 3 331.803 3.627 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000876629614 1137657592 /nfs/dbraw/zinc/65/75/92/1137657592.db2.gz UQFBBNKLVZBFLL-ZANVPECISA-N 0 3 335.662 3.511 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000876647109 1137658041 /nfs/dbraw/zinc/65/80/41/1137658041.db2.gz GDKPIQJPMRTBKC-GJZGRUSLSA-N 0 3 327.255 3.767 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(C(C)(C)c2ccccc2)cs1 ZINC000877129742 1137671017 /nfs/dbraw/zinc/67/10/17/1137671017.db2.gz OSBAZIBZDPGYIO-CYBMUJFWSA-N 0 3 349.887 3.877 20 30 EHEDHN CC(C)(C)OC(=O)NCc1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000877182142 1137672404 /nfs/dbraw/zinc/67/24/04/1137672404.db2.gz JMAHHWYNLWWMDW-UHFFFAOYSA-N 0 3 343.471 3.837 20 30 EHEDHN CCC[C@H](NCc1cc(C#N)cnc1Cl)[C@@H](O)c1ccccc1 ZINC000877488646 1137678254 /nfs/dbraw/zinc/67/82/54/1137678254.db2.gz HRCOATRMSJRNPB-IRXDYDNUSA-N 0 3 329.831 3.599 20 30 EHEDHN COc1ccc(C2=CCN(Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC001137122453 1137681833 /nfs/dbraw/zinc/68/18/33/1137681833.db2.gz BIHJTOUIXYFOEK-UHFFFAOYSA-N 0 3 334.419 3.887 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877672734 1137685418 /nfs/dbraw/zinc/68/54/18/1137685418.db2.gz LYYOWIZBIWAZFA-PBEJRMEISA-N 0 3 336.435 3.675 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878885896 1137730926 /nfs/dbraw/zinc/73/09/26/1137730926.db2.gz UHZJPBPINVWMOY-HIFRSBDPSA-N 0 3 342.399 3.869 20 30 EHEDHN N#CCOc1ccc(CN2CCC(Cc3nccs3)CC2)cc1 ZINC000879205147 1137741113 /nfs/dbraw/zinc/74/11/13/1137741113.db2.gz DGZZUYOSOIZCDZ-UHFFFAOYSA-N 0 3 327.453 3.500 20 30 EHEDHN C[C@H](NCCOCC(F)(F)C(F)F)c1ccc(C(F)(F)F)nc1 ZINC000880103066 1137768254 /nfs/dbraw/zinc/76/82/54/1137768254.db2.gz JZFJOGGUTAWYOI-QMMMGPOBSA-N 0 3 348.262 3.668 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc3c2CCOC3)c1 ZINC000883000032 1137841064 /nfs/dbraw/zinc/84/10/64/1137841064.db2.gz JUYHIOUUGZRESG-IBGZPJMESA-N 0 3 336.435 3.730 20 30 EHEDHN C#CCCCCN[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000130735532 1137841564 /nfs/dbraw/zinc/84/15/64/1137841564.db2.gz IWMYQSJLAUVERH-FQEVSTJZSA-N 0 3 336.435 3.768 20 30 EHEDHN Cc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000132001967 1137862078 /nfs/dbraw/zinc/86/20/78/1137862078.db2.gz SJPVYNZLRBQNOI-LBPRGKRZSA-N 0 3 348.189 3.658 20 30 EHEDHN Cc1cncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000132001967 1137862079 /nfs/dbraw/zinc/86/20/79/1137862079.db2.gz SJPVYNZLRBQNOI-LBPRGKRZSA-N 0 3 348.189 3.658 20 30 EHEDHN C[C@@H](NCC(C)(C)CCC#N)c1ncc(Br)cc1F ZINC000348239742 1137872331 /nfs/dbraw/zinc/87/23/31/1137872331.db2.gz BZIRFZOMUDKZQY-SNVBAGLBSA-N 0 3 328.229 3.964 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2oc3c(cccc3C)c2C)CC1 ZINC000106034818 1137882497 /nfs/dbraw/zinc/88/24/97/1137882497.db2.gz BVZWTKDYOMOHEM-UHFFFAOYSA-N 0 3 326.440 3.820 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000106036285 1137882518 /nfs/dbraw/zinc/88/25/18/1137882518.db2.gz FSIWPGVFDRZNCX-UHFFFAOYSA-N 0 3 341.480 3.580 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(C)Cc1ccccc1SC ZINC000348305790 1137923891 /nfs/dbraw/zinc/92/38/91/1137923891.db2.gz KPDSNALWPADZCQ-UHFFFAOYSA-N 0 3 342.464 3.800 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000117731540 1137931108 /nfs/dbraw/zinc/93/11/08/1137931108.db2.gz PNCUCSBSQVJDOI-GFCCVEGCSA-N 0 3 339.266 3.516 20 30 EHEDHN N#Cc1ccc(OC2CCN(C[C@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC000885985836 1138030483 /nfs/dbraw/zinc/03/04/83/1138030483.db2.gz SBELZTARRCLAOT-HXUWFJFHSA-N 0 3 340.467 3.751 20 30 EHEDHN COc1ccc(Cl)cc1C(C)(C)NC[C@H](O)CC1(C#N)CCC1 ZINC000886251360 1138062529 /nfs/dbraw/zinc/06/25/29/1138062529.db2.gz AYMCRUDCVFQMDV-CQSZACIVSA-N 0 3 336.863 3.618 20 30 EHEDHN CSc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1C#N ZINC000886278711 1138063910 /nfs/dbraw/zinc/06/39/10/1138063910.db2.gz HIUNTXGKMBYGMV-CQSZACIVSA-N 0 3 337.448 3.861 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2cnn(C)c2)C(C)C)c1 ZINC000886547480 1138094201 /nfs/dbraw/zinc/09/42/01/1138094201.db2.gz MAOUAFWYSQHGPC-PKOBYXMFSA-N 0 3 326.444 3.588 20 30 EHEDHN CC[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc2ccccc21 ZINC000886918419 1138172574 /nfs/dbraw/zinc/17/25/74/1138172574.db2.gz ZKTLLNRUKHKBMR-CTNGQTDRSA-N 0 3 335.451 3.689 20 30 EHEDHN C[C@@H](CC(=O)N1CCCCCC1)N[C@H](CCC#N)c1ccccc1 ZINC000090664580 1138212363 /nfs/dbraw/zinc/21/23/63/1138212363.db2.gz SQOGYZRDKYDNDT-PKOBYXMFSA-N 0 3 327.472 3.802 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCCC)cc2)CC1 ZINC000124940650 1138297829 /nfs/dbraw/zinc/29/78/29/1138297829.db2.gz OYOMOXJJSQOCQG-UHFFFAOYSA-N 0 3 331.460 3.637 20 30 EHEDHN N#Cc1ccc(CNc2cccc(CN3CCSCC3)c2)s1 ZINC000125268560 1138304709 /nfs/dbraw/zinc/30/47/09/1138304709.db2.gz AHQDNOHMQWSCPG-UHFFFAOYSA-N 0 3 329.494 3.781 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000126516074 1138332225 /nfs/dbraw/zinc/33/22/25/1138332225.db2.gz HSCJCQMDOKSEAW-QZTJIDSGSA-N 0 3 341.499 3.527 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCO[C@]3(CCSC3)C2)c([O-])c1 ZINC000127698225 1138367621 /nfs/dbraw/zinc/36/76/21/1138367621.db2.gz YCBZVDXDJOUSKW-MXMCTPPNSA-N 0 3 348.512 3.712 20 30 EHEDHN C[C@@H](NC[C@@H]1COC2(CCC(C)CC2)O1)c1ccc(C#N)c(F)c1 ZINC000777312731 1139567499 /nfs/dbraw/zinc/56/74/99/1139567499.db2.gz KKYCUQMUOOGWAM-VSOMRHIXSA-N 0 3 332.419 3.670 20 30 EHEDHN CCCN(CC(=O)Nc1ccccc1OC)CC(C)(C)CCC#N ZINC000179628462 1139770231 /nfs/dbraw/zinc/77/02/31/1139770231.db2.gz MMQVOCYCMZTUCR-UHFFFAOYSA-N 0 3 331.460 3.676 20 30 EHEDHN CCN1CCN(c2ccccc2N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000179774589 1139781888 /nfs/dbraw/zinc/78/18/88/1139781888.db2.gz WXFPHXIIIPNMKJ-KRWDZBQOSA-N 0 3 334.467 3.873 20 30 EHEDHN C#CCCOc1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185640965 1140160285 /nfs/dbraw/zinc/16/02/85/1140160285.db2.gz BZIOLSJOMYQYGW-UHFFFAOYSA-N 0 3 335.447 3.572 20 30 EHEDHN Cc1cccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C ZINC000190604934 1140411355 /nfs/dbraw/zinc/41/13/55/1140411355.db2.gz KKBNBXYSYYUHOJ-LAUBAEHRSA-N 0 3 347.462 3.627 20 30 EHEDHN N#C[C@H]1CCC[C@H](N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000192849235 1140553590 /nfs/dbraw/zinc/55/35/90/1140553590.db2.gz TZZACONMBXJDLK-SESVDKBCSA-N 0 3 347.462 3.908 20 30 EHEDHN C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000268639053 1140965284 /nfs/dbraw/zinc/96/52/84/1140965284.db2.gz RXMWSANNRBRLIC-MLGOLLRUSA-N 0 3 332.350 3.544 20 30 EHEDHN COc1cc(Cl)cc(CNC2(c3cccc(C#N)c3)CC2)c1O ZINC000273800857 1141421563 /nfs/dbraw/zinc/42/15/63/1141421563.db2.gz XDDXMGCKTSKQLS-UHFFFAOYSA-N 0 3 328.799 3.705 20 30 EHEDHN COc1cc(Cl)cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1[O-] ZINC000273800857 1141421568 /nfs/dbraw/zinc/42/15/68/1141421568.db2.gz XDDXMGCKTSKQLS-UHFFFAOYSA-N 0 3 328.799 3.705 20 30 EHEDHN C=CCOc1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000348871318 1141601027 /nfs/dbraw/zinc/60/10/27/1141601027.db2.gz WIFKATLSPBZNEH-INIZCTEOSA-N 0 3 329.362 3.531 20 30 EHEDHN N#Cc1ccc(-c2cccs2)nc1N1CCN(C2CCCC2)CC1 ZINC001165032023 721859933 /nfs/dbraw/zinc/85/99/33/721859933.db2.gz JNUUVURXFOXSDW-UHFFFAOYSA-N 0 3 338.480 3.746 20 30 EHEDHN CCN1CCN(Cc2ccc(N[C@@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000183180145 1125466050 /nfs/dbraw/zinc/46/60/50/1125466050.db2.gz DXZKUIQXBFIOPU-SFHVURJKSA-N 0 3 348.494 3.869 20 30 EHEDHN Cc1cccc2c1ncc(C#N)c2NC[C@H](c1ccco1)N1CCCC1 ZINC000610211255 1014979983 /nfs/dbraw/zinc/97/99/83/1014979983.db2.gz HTEHFKMYOCYCNO-GOSISDBHSA-N 0 3 346.434 3.679 20 30 EHEDHN N#CC(C(=O)C=Cc1cccnc1)c1nc2ccccc2n1C(F)F ZINC000254950497 1015219503 /nfs/dbraw/zinc/21/95/03/1015219503.db2.gz GMKNRYGFQWLBCA-WSROAFLRSA-N 0 3 338.317 3.716 20 30 EHEDHN N#Cc1ccc(OCCNC2(c3ccc(F)cc3F)CCC2)cc1 ZINC000538256125 1032251211 /nfs/dbraw/zinc/25/12/11/1032251211.db2.gz CFYIDUFLWPXYEZ-UHFFFAOYSA-N 0 3 328.362 3.884 20 30 EHEDHN CCCCCOc1cc(/C=C2/C(=O)c3ncnn3C2C)ccc1OC ZINC000905080953 1032332472 /nfs/dbraw/zinc/33/24/72/1032332472.db2.gz ORFVVPWGGSJWTA-LERPTODRSA-N 0 3 341.411 3.697 20 30 EHEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1C1CCCC1 ZINC000562839065 1032450414 /nfs/dbraw/zinc/45/04/14/1032450414.db2.gz YZAOVRROWLNFHQ-QGZVFWFLSA-N 0 3 331.847 3.805 20 30 EHEDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000537016882 1032473464 /nfs/dbraw/zinc/47/34/64/1032473464.db2.gz YPVQDXUFNDEBKB-OAQYLSRUSA-N 0 3 347.462 3.716 20 30 EHEDHN Cc1c(Cl)cncc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000449359599 1032497537 /nfs/dbraw/zinc/49/75/37/1032497537.db2.gz GEIHFLJRXAEDAY-UHFFFAOYSA-N 0 3 340.858 3.992 20 30 EHEDHN C[C@H](NCC#Cc1ccccc1Cl)c1ccc(-n2ccnn2)cc1 ZINC000537128877 1032528461 /nfs/dbraw/zinc/52/84/61/1032528461.db2.gz XLGLFYZYRMMNOG-HNNXBMFYSA-N 0 3 336.826 3.623 20 30 EHEDHN Cc1cc(CN2CCC=C(c3cn(C(C)C)nn3)CC2)ccc1C#N ZINC000449470092 1032587254 /nfs/dbraw/zinc/58/72/54/1032587254.db2.gz JJSZWGXIHKTOFL-UHFFFAOYSA-N 0 3 335.455 3.719 20 30 EHEDHN Cc1cccc(C)c1[C@H](C)N[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000544895470 1017372298 /nfs/dbraw/zinc/37/22/98/1017372298.db2.gz GMQCDYIDRPOPQT-IRXDYDNUSA-N 0 3 327.472 3.685 20 30 EHEDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000547971980 1017816805 /nfs/dbraw/zinc/81/68/05/1017816805.db2.gz BTGZLRSXTISOGT-UHFFFAOYSA-N 0 3 343.814 3.534 20 30 EHEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000466929881 1018008104 /nfs/dbraw/zinc/00/81/04/1018008104.db2.gz UUZLYJWBNWUJMT-ZWKOTPCHSA-N 0 3 327.472 3.671 20 30 EHEDHN C=C(C)CNCc1cc(Br)ccc1OCCOCC ZINC000119644114 1018176258 /nfs/dbraw/zinc/17/62/58/1018176258.db2.gz FKACLYAZNFUYLK-UHFFFAOYSA-N 0 3 328.250 3.530 20 30 EHEDHN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000415586427 1018256650 /nfs/dbraw/zinc/25/66/50/1018256650.db2.gz VSMSJLXMOGXSBF-RHSMWYFYSA-N 0 3 345.487 3.773 20 30 EHEDHN C[C@H](N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000592404838 1032777788 /nfs/dbraw/zinc/77/77/88/1032777788.db2.gz YAIXNCSUJLNCIW-AEGPPILISA-N 0 3 332.419 3.858 20 30 EHEDHN Cc1ccc2[nH]c([C@@H]3CCCN(Cc4ccc(C#N)cn4)C3)nc2c1 ZINC000580269773 1018896795 /nfs/dbraw/zinc/89/67/95/1018896795.db2.gz BNWKZCMUQQCRMZ-MRXNPFEDSA-N 0 3 331.423 3.518 20 30 EHEDHN Cc1ccc2nc([C@@H]3CCCN(Cc4ccc(C#N)cn4)C3)[nH]c2c1 ZINC000580269773 1018896816 /nfs/dbraw/zinc/89/68/16/1018896816.db2.gz BNWKZCMUQQCRMZ-MRXNPFEDSA-N 0 3 331.423 3.518 20 30 EHEDHN C=CCCSCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000597972219 1032804506 /nfs/dbraw/zinc/80/45/06/1032804506.db2.gz LQZJGOALLDDRGC-UHFFFAOYSA-N 0 3 332.469 3.534 20 30 EHEDHN C=CCCN(C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000467285859 1019600508 /nfs/dbraw/zinc/60/05/08/1019600508.db2.gz MEQJEIAGBUSOEA-FQEVSTJZSA-N 0 3 340.492 3.730 20 30 EHEDHN Cc1cc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc(C)c1C#N ZINC001125467014 1019901112 /nfs/dbraw/zinc/90/11/12/1019901112.db2.gz OZQCIIADZHGGBS-XLIONFOSSA-N 0 3 347.462 3.740 20 30 EHEDHN Cc1cc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc(C)c1C#N ZINC001125467013 1019901183 /nfs/dbraw/zinc/90/11/83/1019901183.db2.gz OZQCIIADZHGGBS-PXNSSMCTSA-N 0 3 347.462 3.740 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000068826733 1019904621 /nfs/dbraw/zinc/90/46/21/1019904621.db2.gz QRBMGMJDUCXCPK-UHFFFAOYSA-N 0 3 349.434 3.584 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000183066993 1019934015 /nfs/dbraw/zinc/93/40/15/1019934015.db2.gz AWXMWPRZYIIBKM-MRXNPFEDSA-N 0 3 336.439 3.509 20 30 EHEDHN N#Cc1nnc2ccccc2c1NC[C@@H](c1cccs1)N1CCCC1 ZINC000077187388 1020118160 /nfs/dbraw/zinc/11/81/60/1020118160.db2.gz CUKLEZYJJURBGU-KRWDZBQOSA-N 0 3 349.463 3.812 20 30 EHEDHN C#CCC1(N[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCC1 ZINC000933300228 1021063970 /nfs/dbraw/zinc/06/39/70/1021063970.db2.gz UZCJPPHSWOKXOL-LLVKDONJSA-N 0 3 325.239 3.856 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC000602545743 1032955364 /nfs/dbraw/zinc/95/53/64/1032955364.db2.gz OQXWNPKKZFCTKZ-WMZOPIPTSA-N 0 3 347.890 3.675 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CCCC)Cc2ccccc2F)CC1 ZINC000518529946 1021265951 /nfs/dbraw/zinc/26/59/51/1021265951.db2.gz GEFYZNNURIDPIH-UHFFFAOYSA-N 0 3 347.478 3.788 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccccc1)C1CCCCC1 ZINC000507717101 1021455584 /nfs/dbraw/zinc/45/55/84/1021455584.db2.gz JGENBRFDRULZCP-OAQYLSRUSA-N 0 3 341.499 3.876 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCc2ccccc2CC1 ZINC000528906189 1033049152 /nfs/dbraw/zinc/04/91/52/1033049152.db2.gz DGGCOQOHLUVOSJ-GOSISDBHSA-N 0 3 343.430 3.945 20 30 EHEDHN C[C@@H]1[C@@H](C)CN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000517593630 1022467633 /nfs/dbraw/zinc/46/76/33/1022467633.db2.gz KIOQGLBGSKWWCB-QWHCGFSZSA-N 0 3 331.485 3.557 20 30 EHEDHN CC(C)(C)C[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000550153527 1022594112 /nfs/dbraw/zinc/59/41/12/1022594112.db2.gz PYWREICUQBBHTF-SFHVURJKSA-N 0 3 333.439 3.868 20 30 EHEDHN C[C@@H]1C[C@H]1c1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000506260715 1022742019 /nfs/dbraw/zinc/74/20/19/1022742019.db2.gz ZQOWTKGSDRMQIE-DYESRHJHSA-N 0 3 349.478 3.983 20 30 EHEDHN CC[C@@H](C)n1ncc(NC(=O)N2CCN(CCC(C)(C)C)CC2)c1C ZINC000331166145 1022758403 /nfs/dbraw/zinc/75/84/03/1022758403.db2.gz YEXKJWYMPMSXSS-OAHLLOKOSA-N 0 3 349.523 3.762 20 30 EHEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cc(C)cc(F)c1)C2 ZINC001143585097 1023061200 /nfs/dbraw/zinc/06/12/00/1023061200.db2.gz FIATYNZOHBTGTH-FQEVSTJZSA-N 0 3 330.447 3.667 20 30 EHEDHN CN(Cc1ccc(C#N)cc1OC(F)F)CC1(O)CCCCCC1 ZINC000426204647 1023089514 /nfs/dbraw/zinc/08/95/14/1023089514.db2.gz RLTYPHNMUXBBRE-UHFFFAOYSA-N 0 3 338.398 3.677 20 30 EHEDHN CC[C@H](Cc1ccccc1Br)NC[C@@H](C#N)CCC#N ZINC000562996102 1023150236 /nfs/dbraw/zinc/15/02/36/1023150236.db2.gz HIVOPIBBUNOAPY-UKRRQHHQSA-N 0 3 334.261 3.803 20 30 EHEDHN COCCOc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000341759612 1023273673 /nfs/dbraw/zinc/27/36/73/1023273673.db2.gz HWQFKINFDFIXEO-FQEVSTJZSA-N 0 3 336.435 3.751 20 30 EHEDHN C=CCOc1ccccc1CN1CCC(C(=O)N(C)CCCC)CC1 ZINC000092145670 1023322840 /nfs/dbraw/zinc/32/28/40/1023322840.db2.gz CUFYPRXHVXXWQO-UHFFFAOYSA-N 0 3 344.499 3.722 20 30 EHEDHN C=CCc1cc(CN(C)CCOCc2ccccc2)cc(OC)c1O ZINC000535821008 1023787100 /nfs/dbraw/zinc/78/71/00/1023787100.db2.gz DIYWLELAJRSRBW-UHFFFAOYSA-N 0 3 341.451 3.778 20 30 EHEDHN Cc1cc(CN[C@H](c2cccs2)C2(CO)CCC2)ccc1C#N ZINC000449767248 1033180819 /nfs/dbraw/zinc/18/08/19/1033180819.db2.gz PRWZVXCXKIZHCI-GOSISDBHSA-N 0 3 326.465 3.922 20 30 EHEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000329857271 1024224553 /nfs/dbraw/zinc/22/45/53/1024224553.db2.gz YYZPDWQLQNIWST-BDJLRTHQSA-N 0 3 345.830 3.782 20 30 EHEDHN Cn1c2cc(F)ccc2nc1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000329861374 1024226004 /nfs/dbraw/zinc/22/60/04/1024226004.db2.gz QEFKALAJGDXNAM-HNNXBMFYSA-N 0 3 330.407 3.707 20 30 EHEDHN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+]C1CCC2(CCCCC2)CC1 ZINC000329884605 1024234938 /nfs/dbraw/zinc/23/49/38/1024234938.db2.gz SQKAMIWDWLGNQQ-MRXNPFEDSA-N 0 3 330.476 3.595 20 30 EHEDHN [O-]C(NC1CCC2(CCCCC2)CC1)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000329884605 1024234958 /nfs/dbraw/zinc/23/49/58/1024234958.db2.gz SQKAMIWDWLGNQQ-MRXNPFEDSA-N 0 3 330.476 3.595 20 30 EHEDHN N#CC(C(=O)CCc1ccncc1)c1nc2ccccc2n1C(F)F ZINC000178988192 1024284261 /nfs/dbraw/zinc/28/42/61/1024284261.db2.gz IVXWALZEGCBCIO-ZDUSSCGKSA-N 0 3 340.333 3.635 20 30 EHEDHN Cc1c2ccccc2oc1[C@H](C)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000330116974 1024323339 /nfs/dbraw/zinc/32/33/39/1024323339.db2.gz WGNQWDTWQODJKE-KBPBESRZSA-N 0 3 327.428 3.543 20 30 EHEDHN C=CCCCCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000320522917 1024415624 /nfs/dbraw/zinc/41/56/24/1024415624.db2.gz MRKRRLMWRFEAHG-MRXNPFEDSA-N 0 3 325.449 3.770 20 30 EHEDHN C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000281739945 1024437426 /nfs/dbraw/zinc/43/74/26/1024437426.db2.gz YMCJIYXEGRMNCD-JXFKEZNVSA-N 0 3 349.478 3.909 20 30 EHEDHN C[C@H](NCc1cccc(Cn2ccnc2)c1)c1ccc(C#N)c(F)c1 ZINC000346154295 1024456462 /nfs/dbraw/zinc/45/64/62/1024456462.db2.gz FUBYIWIANVFYJQ-HNNXBMFYSA-N 0 3 334.398 3.793 20 30 EHEDHN COc1cccc([C@H](CNc2cccc(Cl)c2C#N)N(C)C)c1 ZINC000320508630 1024487334 /nfs/dbraw/zinc/48/73/34/1024487334.db2.gz MTUUMDSQRQVJDC-SFHVURJKSA-N 0 3 329.831 3.935 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000342228428 1024493621 /nfs/dbraw/zinc/49/36/21/1024493621.db2.gz SMOOTHLHSOVBDD-OAHLLOKOSA-N 0 3 326.362 3.581 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000280961960 1024494604 /nfs/dbraw/zinc/49/46/04/1024494604.db2.gz ZAPJTUFGWRKLOV-AHRSYUTCSA-N 0 3 326.415 3.881 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC(C)C ZINC000114725330 1024754568 /nfs/dbraw/zinc/75/45/68/1024754568.db2.gz BCMGRZDXRNMPAV-HNNXBMFYSA-N 0 3 333.501 3.855 20 30 EHEDHN COCCOCc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425365843 1024870176 /nfs/dbraw/zinc/87/01/76/1024870176.db2.gz NHVXVCYSKQVKTG-KRWDZBQOSA-N 0 3 338.451 3.914 20 30 EHEDHN C=CCC[C@H](NC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000435758494 1025134281 /nfs/dbraw/zinc/13/42/81/1025134281.db2.gz GBPBBUAJDZCRKF-FQEVSTJZSA-N 0 3 341.499 3.964 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000896226313 1025261131 /nfs/dbraw/zinc/26/11/31/1025261131.db2.gz CYKCACNSKFQJRC-IUODEOHRSA-N 0 3 342.336 3.844 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)CC1 ZINC000521240421 1025292951 /nfs/dbraw/zinc/29/29/51/1025292951.db2.gz RBSDVMMHWLKJNU-FQEVSTJZSA-N 0 3 341.499 3.800 20 30 EHEDHN N#C[C@H]1CC[C@@H](NCc2cccc(NC(=O)c3cccc(F)c3)c2)C1 ZINC000442722639 1025453087 /nfs/dbraw/zinc/45/30/87/1025453087.db2.gz XVJCBRAQPMGSRL-KBXCAEBGSA-N 0 3 337.398 3.860 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)CC1 ZINC000521576908 1025489942 /nfs/dbraw/zinc/48/99/42/1025489942.db2.gz TWXDIXMYPSHDJZ-INIZCTEOSA-N 0 3 344.499 3.518 20 30 EHEDHN CCN1CCCC[C@H]1CNC(=O)c1cn(C)nc1C1CCCCC1 ZINC000329363805 1025782920 /nfs/dbraw/zinc/78/29/20/1025782920.db2.gz JIMDHLRHKLONPA-INIZCTEOSA-N 0 3 332.492 3.647 20 30 EHEDHN CC(C)N(Cc1cc(Br)ccc1C#N)C1CCOCC1 ZINC001141907906 1025903410 /nfs/dbraw/zinc/90/34/10/1025903410.db2.gz SXRFPERVTPMGQD-UHFFFAOYSA-N 0 3 337.261 3.710 20 30 EHEDHN COc1ccccc1OCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000611588171 1025939808 /nfs/dbraw/zinc/93/98/08/1025939808.db2.gz ZKWCQLOBVBRRMZ-AWEZNQCLSA-N 0 3 328.387 3.826 20 30 EHEDHN CC[C@@H]1C[C@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC(=O)N1 ZINC000329591587 1026043169 /nfs/dbraw/zinc/04/31/69/1026043169.db2.gz NVIKLCDSHDEDBY-KSZLIROESA-N 0 3 343.471 3.925 20 30 EHEDHN COCCN(CCCSCC#N)Cc1ccc(F)c(Cl)c1 ZINC000451977386 1026432867 /nfs/dbraw/zinc/43/28/67/1026432867.db2.gz OFQUKBJJNHJHHO-UHFFFAOYSA-N 0 3 330.856 3.574 20 30 EHEDHN C=CCCn1cc(CNC2(Cc3ccc(Cl)cc3)CCC2)nn1 ZINC000657471813 1026623635 /nfs/dbraw/zinc/62/36/35/1026623635.db2.gz ASKIZKTWLMYMJE-UHFFFAOYSA-N 0 3 330.863 3.763 20 30 EHEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ncc(Br)cc1F ZINC000467454471 1026744495 /nfs/dbraw/zinc/74/44/95/1026744495.db2.gz PQDYDJGLMACDJJ-LLVKDONJSA-N 0 3 348.219 3.748 20 30 EHEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(OC(F)F)cc1 ZINC000342710432 1026798871 /nfs/dbraw/zinc/79/88/71/1026798871.db2.gz RKHIZPHYPXRVAV-GFCCVEGCSA-N 0 3 342.349 3.658 20 30 EHEDHN CCCN(CCN1CCCCC1)C(=O)c1cc(C#N)ccc1Cl ZINC000342802528 1027188315 /nfs/dbraw/zinc/18/83/15/1027188315.db2.gz NMRXKTXACAQFNR-UHFFFAOYSA-N 0 3 333.863 3.550 20 30 EHEDHN CC(=O)NCCc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000342816688 1027408771 /nfs/dbraw/zinc/40/87/71/1027408771.db2.gz XKFIJMDOYINXKX-MRXNPFEDSA-N 0 3 347.462 3.577 20 30 EHEDHN C=CCC1(NCc2csc(COc3ccccc3)n2)CCOCC1 ZINC000657633620 1027733399 /nfs/dbraw/zinc/73/33/99/1027733399.db2.gz SOTFNVPAXGRDTI-UHFFFAOYSA-N 0 3 344.480 3.937 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420949599 1027914355 /nfs/dbraw/zinc/91/43/55/1027914355.db2.gz OVFJORBEJQPUTH-CQSZACIVSA-N 0 3 342.361 3.610 20 30 EHEDHN C=CC[C@@H]1N(CC(=O)Nc2ccc(NC(C)=O)cc2)CCCC1(C)C ZINC000444788039 1028283544 /nfs/dbraw/zinc/28/35/44/1028283544.db2.gz ZUGHJNZEJPJMOP-SFHVURJKSA-N 0 3 343.471 3.650 20 30 EHEDHN N#Cc1ccc(CNc2cccc(CN3CCSCC3)c2)cc1F ZINC000421335135 1028302558 /nfs/dbraw/zinc/30/25/58/1028302558.db2.gz JZGMSQBSLMGTNN-UHFFFAOYSA-N 0 3 341.455 3.858 20 30 EHEDHN CCOCCOCc1cccc(CNCc2ccc(C#N)c(F)c2)c1 ZINC000421337433 1028305892 /nfs/dbraw/zinc/30/58/92/1028305892.db2.gz ZCMDRVAHJWAYHA-UHFFFAOYSA-N 0 3 342.414 3.540 20 30 EHEDHN COc1ccc(CNCc2cc(C)nc(C)c2)cc1OCCCC#N ZINC000421372266 1028332243 /nfs/dbraw/zinc/33/22/43/1028332243.db2.gz FNGZWAWVWKUZHX-UHFFFAOYSA-N 0 3 339.439 3.679 20 30 EHEDHN CCCCC1CCC(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000523736194 1028579873 /nfs/dbraw/zinc/57/98/73/1028579873.db2.gz UOTYNZWZFZFOHO-KVWWFHCMSA-N 0 3 327.472 3.671 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000424115039 1028812278 /nfs/dbraw/zinc/81/22/78/1028812278.db2.gz SZBFSQBNGJDDGN-MOPGFXCFSA-N 0 3 327.472 3.835 20 30 EHEDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424195848 1028883961 /nfs/dbraw/zinc/88/39/61/1028883961.db2.gz MOZOPNACGFABFM-GOEBONIOSA-N 0 3 328.847 3.924 20 30 EHEDHN C=CCn1cc(CN[C@@H](CCc2ccccc2)Cc2ccccc2)nn1 ZINC000424297689 1028938135 /nfs/dbraw/zinc/93/81/35/1028938135.db2.gz RBBWXPGDERROIU-NRFANRHFSA-N 0 3 346.478 3.798 20 30 EHEDHN C=CCCc1ccccc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000505016645 1029119736 /nfs/dbraw/zinc/11/97/36/1029119736.db2.gz KHYKMZQNCWGKPA-UHFFFAOYSA-N 0 3 341.455 3.994 20 30 EHEDHN CCN(CC)[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccco1 ZINC000183757498 1029383503 /nfs/dbraw/zinc/38/35/03/1029383503.db2.gz CVYLPZFWZXWGJB-MRXNPFEDSA-N 0 3 328.372 3.554 20 30 EHEDHN N#Cc1ccc(NC(=O)CN[C@@H](c2ccccc2)C2CC2)cc1Cl ZINC000192502167 1029714888 /nfs/dbraw/zinc/71/48/88/1029714888.db2.gz BXCQQKFRESZWNE-IBGZPJMESA-N 0 3 339.826 3.891 20 30 EHEDHN CC[C@@H](NCc1cc(OC)c(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000278274380 1029883861 /nfs/dbraw/zinc/88/38/61/1029883861.db2.gz PIUPTYFPAYQMLR-QGZVFWFLSA-N 0 3 340.423 3.825 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000453350683 1030140081 /nfs/dbraw/zinc/14/00/81/1030140081.db2.gz LXXRQZYOZSUEKO-PMPSAXMXSA-N 0 3 329.362 3.716 20 30 EHEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@H]3Cc3ccccc3)o2)c1 ZINC000441257255 1030191783 /nfs/dbraw/zinc/19/17/83/1030191783.db2.gz HYQORFLXPJZBSQ-IBGZPJMESA-N 0 3 344.418 3.815 20 30 EHEDHN C[C@H](O)C[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000447830605 1030520597 /nfs/dbraw/zinc/52/05/97/1030520597.db2.gz KZXVPJZULDJSKB-WMLDXEAASA-N 0 3 325.374 3.682 20 30 EHEDHN C[C@@H](O)C[C@@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000447841502 1030530630 /nfs/dbraw/zinc/53/06/30/1030530630.db2.gz YAQLJEFNEDAXIL-ZBFHGGJFSA-N 0 3 341.373 3.562 20 30 EHEDHN Cn1cc(CN2CC(Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611794041 1031120823 /nfs/dbraw/zinc/12/08/23/1031120823.db2.gz MZHKRPIVVBHORG-UHFFFAOYSA-N 0 3 342.446 3.633 20 30 EHEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584175522 1031858983 /nfs/dbraw/zinc/85/89/83/1031858983.db2.gz CFSUPQQJKFJYRG-SUMWQHHRSA-N 0 3 339.370 3.984 20 30 EHEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584175519 1031860299 /nfs/dbraw/zinc/86/02/99/1031860299.db2.gz CFSUPQQJKFJYRG-CXAGYDPISA-N 0 3 339.370 3.984 20 30 EHEDHN CNc1ccc(C)cc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000904439320 1032047709 /nfs/dbraw/zinc/04/77/09/1032047709.db2.gz LFXLWGCPVGOPDB-UHFFFAOYSA-N 0 3 335.451 3.704 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000594428622 1033365349 /nfs/dbraw/zinc/36/53/49/1033365349.db2.gz NIOYGWRZWMVKGM-IBGZPJMESA-N 0 3 337.423 3.506 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NCc1ccccc1Oc1ccccc1 ZINC000594431411 1033368159 /nfs/dbraw/zinc/36/81/59/1033368159.db2.gz MAMGGQPSOWGWAU-SFHVURJKSA-N 0 3 337.423 3.506 20 30 EHEDHN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H](N)CCCCC#N ZINC000594432569 1033369996 /nfs/dbraw/zinc/36/99/96/1033369996.db2.gz DEBIRJWDLCKKJE-QFBILLFUSA-N 0 3 327.472 3.788 20 30 EHEDHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1Oc1cccnc1 ZINC000594438860 1033374013 /nfs/dbraw/zinc/37/40/13/1033374013.db2.gz QBKVFINDGOVJKA-QGZVFWFLSA-N 0 3 338.411 3.532 20 30 EHEDHN C[C@H](CNC(=O)[C@H](N)CCCCC#N)c1c(Cl)cccc1Cl ZINC000594440358 1033375164 /nfs/dbraw/zinc/37/51/64/1033375164.db2.gz YHHBGSIBOWKFDQ-BXUZGUMPSA-N 0 3 342.270 3.624 20 30 EHEDHN CCC(CC)(CNC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594439934 1033376192 /nfs/dbraw/zinc/37/61/92/1033376192.db2.gz TUUIWMLKYKYGTQ-QGZVFWFLSA-N 0 3 349.906 3.925 20 30 EHEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1cc(F)c(Cl)cc1Cl ZINC000594425297 1033388699 /nfs/dbraw/zinc/38/86/99/1033388699.db2.gz HIPKLXVEGKZFMH-LKFCYVNXSA-N 0 3 346.233 3.721 20 30 EHEDHN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594424592 1033389622 /nfs/dbraw/zinc/38/96/22/1033389622.db2.gz BNWXNYGFXXULFN-IBGZPJMESA-N 0 3 343.515 3.671 20 30 EHEDHN N#CC(C(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1nc2ccccc2[nH]1 ZINC000173903557 1033615149 /nfs/dbraw/zinc/61/51/49/1033615149.db2.gz GZIZFBWBWAIUFS-IVZHQMGZSA-N 0 3 327.387 3.643 20 30 EHEDHN N#Cc1cccc(C2(NCc3cnc4ccccc4c3)CCOCC2)c1 ZINC000594985605 1033619956 /nfs/dbraw/zinc/61/99/56/1033619956.db2.gz ZVJYVGTZEILFAG-UHFFFAOYSA-N 0 3 343.430 3.902 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H](n1cccn1)C(F)(F)F ZINC000599058393 1033697431 /nfs/dbraw/zinc/69/74/31/1033697431.db2.gz UFZLKXPOEJYTHC-CVEARBPZSA-N 0 3 334.345 3.525 20 30 EHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595601311 1033916381 /nfs/dbraw/zinc/91/63/81/1033916381.db2.gz ATWGPSVLCYCPSR-BBRMVZONSA-N 0 3 342.399 3.869 20 30 EHEDHN N#Cc1ccc(CNC[C@H](O)c2c(Cl)cccc2Cl)s1 ZINC000176974574 1033925820 /nfs/dbraw/zinc/92/58/20/1033925820.db2.gz VHEBWOVOYXDCKT-ZDUSSCGKSA-N 0 3 327.236 3.750 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593101762 1033941915 /nfs/dbraw/zinc/94/19/15/1033941915.db2.gz STUKPZIMNMELCG-QWHCGFSZSA-N 0 3 326.318 3.553 20 30 EHEDHN CC[C@@H](c1ccccc1)N(CC(=O)N[C@](C)(C#N)C1CC1)C(C)C ZINC000595858534 1034011569 /nfs/dbraw/zinc/01/15/69/1034011569.db2.gz VJJOABFKWSHJTN-AZUAARDMSA-N 0 3 327.472 3.657 20 30 EHEDHN Cc1cc(NC[C@@H](c2cccc(F)c2)N(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596055571 1034055595 /nfs/dbraw/zinc/05/55/95/1034055595.db2.gz RCSNDTHEJVFHMN-KRWDZBQOSA-N 0 3 342.374 3.629 20 30 EHEDHN C=CCCOCCNCc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000120818942 1034176084 /nfs/dbraw/zinc/17/60/84/1034176084.db2.gz LRSGXFSMHVKTME-UHFFFAOYSA-N 0 3 333.863 3.825 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC1CCC1)[C@H](C)c1ccccc1 ZINC000569705246 1034387656 /nfs/dbraw/zinc/38/76/56/1034387656.db2.gz LZSHHLLKFYLFHA-ZWKOTPCHSA-N 0 3 341.499 3.858 20 30 EHEDHN C[C@@H]1CCCC[C@H]1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000604482186 1034387832 /nfs/dbraw/zinc/38/78/32/1034387832.db2.gz FKDMFQBNZKFGQW-XLIONFOSSA-N 0 3 341.499 3.665 20 30 EHEDHN N#Cc1ccc(CN(Cc2ccc(O[C@@H]3CCOC3)cc2)C2CC2)cc1 ZINC000596979728 1034479568 /nfs/dbraw/zinc/47/95/68/1034479568.db2.gz MPXPNHKETDDRPA-JOCHJYFZSA-N 0 3 348.446 3.891 20 30 EHEDHN CC[C@H](C)N[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])c1ccco1 ZINC000450531255 1034490919 /nfs/dbraw/zinc/49/09/19/1034490919.db2.gz SJSBLWHSLDIMBG-SWLSCSKDSA-N 0 3 328.372 3.601 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCc3cc(C(C)(C)C)ccc32)CC1 ZINC000171739254 1034608589 /nfs/dbraw/zinc/60/85/89/1034608589.db2.gz FELNXCMRQHSPBB-UHFFFAOYSA-N 0 3 341.499 3.707 20 30 EHEDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cscc2C#N)CC1 ZINC000456702148 1034670476 /nfs/dbraw/zinc/67/04/76/1034670476.db2.gz GMPZMQSHYCLWGQ-UHFFFAOYSA-N 0 3 333.501 3.592 20 30 EHEDHN COc1cccc(CNCC#Cc2ccc(C(F)(F)F)cc2)c1O ZINC000177715830 1035342101 /nfs/dbraw/zinc/34/21/01/1035342101.db2.gz DXDBIMQDMZHTSD-UHFFFAOYSA-N 0 3 335.325 3.561 20 30 EHEDHN CCCN(CCN1CCCCC1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000588374689 1035916299 /nfs/dbraw/zinc/91/62/99/1035916299.db2.gz VIAGQBZUHKVQET-QGZVFWFLSA-N 0 3 342.487 3.527 20 30 EHEDHN CCCN(C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541132707 1036019880 /nfs/dbraw/zinc/01/98/80/1036019880.db2.gz VGORITKZWFMFTM-INIZCTEOSA-N 0 3 335.451 3.744 20 30 EHEDHN C#CCN(C(=O)N[C@H](CC)c1ccc(Cl)cc1)C1CCN(C)CC1 ZINC000913980765 1036136444 /nfs/dbraw/zinc/13/64/44/1036136444.db2.gz FVLQGZQTHULFHV-GOSISDBHSA-N 0 3 347.890 3.530 20 30 EHEDHN CCN1CCN(Cc2ccc(NCc3ccc(C#N)c(C)c3)cc2)CC1 ZINC000443988018 1036200845 /nfs/dbraw/zinc/20/08/45/1036200845.db2.gz YXRMRNITARMWSX-UHFFFAOYSA-N 0 3 348.494 3.616 20 30 EHEDHN N#Cc1ccc(CNC[C@H]2OCCc3ccccc32)c(C(F)(F)F)c1 ZINC000589314887 1036358636 /nfs/dbraw/zinc/35/86/36/1036358636.db2.gz HORQJHFDRPLHMJ-GOSISDBHSA-N 0 3 346.352 3.981 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccsc1 ZINC000031097265 1036550924 /nfs/dbraw/zinc/55/09/24/1036550924.db2.gz CVJDFGNPNAXXSY-KRWDZBQOSA-N 0 3 342.468 3.824 20 30 EHEDHN CC[C@H](N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(C#N)cc1 ZINC000414313632 1036611390 /nfs/dbraw/zinc/61/13/90/1036611390.db2.gz KMEOAEMHNLTQPF-OALUTQOASA-N 0 3 337.398 3.544 20 30 EHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000309945383 1036744759 /nfs/dbraw/zinc/74/47/59/1036744759.db2.gz GLANRPOMKREPGF-TWMKSMIVSA-N 0 3 335.492 3.694 20 30 EHEDHN C=CCN(CC=C)C(=O)CN(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464784157 1036781397 /nfs/dbraw/zinc/78/13/97/1036781397.db2.gz BTVAXSLCGBJLEB-LJQANCHMSA-N 0 3 332.463 3.525 20 30 EHEDHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000171584758 1036930762 /nfs/dbraw/zinc/93/07/62/1036930762.db2.gz DRHROWCJSDEPMI-OAHLLOKOSA-N 0 3 343.471 3.683 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc3nc(CC)sc3c2)CC1 ZINC000646516137 1037091131 /nfs/dbraw/zinc/09/11/31/1037091131.db2.gz KWEGARUSNXBBOM-UHFFFAOYSA-N 0 3 344.484 3.631 20 30 EHEDHN C=CCc1cc(CN2CC[C@H](OCCC(C)C)C2)cc(OC)c1O ZINC000539836518 1037264520 /nfs/dbraw/zinc/26/45/20/1037264520.db2.gz LBIATNNTEVAGQN-SFHVURJKSA-N 0 3 333.472 3.766 20 30 EHEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000352255840 1037308594 /nfs/dbraw/zinc/30/85/94/1037308594.db2.gz BVFBROJYGKDHOL-KRWDZBQOSA-N 0 3 328.387 3.955 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000493788098 1037613331 /nfs/dbraw/zinc/61/33/31/1037613331.db2.gz MMMRZYHYZSPRSD-IRXDYDNUSA-N 0 3 335.536 3.883 20 30 EHEDHN CCCN(C(=O)N[C@@H](CCCC#N)c1ccccc1)[C@H]1CCN(C)C1 ZINC000592024910 1037809232 /nfs/dbraw/zinc/80/92/32/1037809232.db2.gz HEBQKSYISZENIK-OALUTQOASA-N 0 3 342.487 3.547 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000540343263 1037847527 /nfs/dbraw/zinc/84/75/27/1037847527.db2.gz XZLLMIZKKGVTKT-CKJXQJPGSA-N 0 3 337.467 3.933 20 30 EHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)cc1F ZINC000592176638 1037906603 /nfs/dbraw/zinc/90/66/03/1037906603.db2.gz AIKPHBNQEQVPRX-HXUWFJFHSA-N 0 3 336.410 3.857 20 30 EHEDHN C[C@H]1CC2(CN1Cc1ccc(C#N)cc1Br)CCOCC2 ZINC000592185004 1037930872 /nfs/dbraw/zinc/93/08/72/1037930872.db2.gz SXONOURFYJEWKJ-ZDUSSCGKSA-N 0 3 349.272 3.712 20 30 EHEDHN C=CCN1CCC(NC(=O)NC2CCC(C(C)(C)CC)CC2)CC1 ZINC000592477316 1038001399 /nfs/dbraw/zinc/00/13/99/1038001399.db2.gz WMXPGAKEIGKYSZ-UHFFFAOYSA-N 0 3 335.536 3.931 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)CC1 ZINC000184181447 1038015578 /nfs/dbraw/zinc/01/55/78/1038015578.db2.gz FDCFUPWWAQVQLH-UZLBHIALSA-N 0 3 341.499 3.650 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540522907 1038050586 /nfs/dbraw/zinc/05/05/86/1038050586.db2.gz FWTVHBZIUQQWBY-HNAYVOBHSA-N 0 3 332.463 3.988 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540522905 1038050976 /nfs/dbraw/zinc/05/09/76/1038050976.db2.gz FWTVHBZIUQQWBY-BEFAXECRSA-N 0 3 332.463 3.988 20 30 EHEDHN C=CCOc1ccc(CN(C[C@H](O)C(F)(F)F)C(C)(C)C)cc1 ZINC000461395813 1038391938 /nfs/dbraw/zinc/39/19/38/1038391938.db2.gz IOUKNRIQXWEMHR-HNNXBMFYSA-N 0 3 331.378 3.775 20 30 EHEDHN C[C@H](C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000461889644 1038662216 /nfs/dbraw/zinc/66/22/16/1038662216.db2.gz MSHNEHIGHFKAJP-LAUBAEHRSA-N 0 3 347.462 3.615 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1cccc(C)c1)C(C)(C)C ZINC000539335324 1038784358 /nfs/dbraw/zinc/78/43/58/1038784358.db2.gz HYQSLLXENJRJTO-QFBILLFUSA-N 0 3 329.488 3.680 20 30 EHEDHN Cc1ccccc1[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485257686 1038822669 /nfs/dbraw/zinc/82/26/69/1038822669.db2.gz GJRXDYBOIPPPDD-OXJNMPFZSA-N 0 3 333.435 3.713 20 30 EHEDHN Cc1ccc2c(c1)[C@@H](N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000485341988 1038943989 /nfs/dbraw/zinc/94/39/89/1038943989.db2.gz BRODIWBEYJDULS-SFTDATJTSA-N 0 3 345.446 3.639 20 30 EHEDHN CCc1nc2c(s1)[C@@H](N(C)CCOc1ccccc1C#N)CCC2 ZINC000478046668 1039165588 /nfs/dbraw/zinc/16/55/88/1039165588.db2.gz KGXZMDXDOHHGRG-INIZCTEOSA-N 0 3 341.480 3.965 20 30 EHEDHN CCCN(CCN1CCCCC1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000478165280 1039266907 /nfs/dbraw/zinc/26/69/07/1039266907.db2.gz JDIGEJSJDUHEIS-UHFFFAOYSA-N 0 3 348.878 3.941 20 30 EHEDHN Cc1ccccc1[C@@H](C(C)C)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000488799760 1039414448 /nfs/dbraw/zinc/41/44/48/1039414448.db2.gz QUTYLHMCXPQFHN-JOCHJYFZSA-N 0 3 349.478 3.812 20 30 EHEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C(=O)N(C)C)cc1 ZINC000417370645 1039740881 /nfs/dbraw/zinc/74/08/81/1039740881.db2.gz SMRMEYIETRRYIM-VFNWGFHPSA-N 0 3 347.462 3.988 20 30 EHEDHN C=CCOc1c(Cl)cc(CN2CC[C@@H](CO)[C@H]2CC)cc1OC ZINC000628298187 1039909015 /nfs/dbraw/zinc/90/90/15/1039909015.db2.gz XIFVEGZSRADOIL-GOEBONIOSA-N 0 3 339.863 3.506 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@@]1(C#N)CC2CCC1CC2)c1ccco1 ZINC000899080314 1039986429 /nfs/dbraw/zinc/98/64/29/1039986429.db2.gz SMOBEHVAKHUCAS-SLSBCVLSSA-N 0 3 343.471 3.545 20 30 EHEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)Cc1ccc2c(c1)OCCO2 ZINC000614159636 1040309217 /nfs/dbraw/zinc/30/92/17/1040309217.db2.gz KSNDMSWEHNNOTD-UHFFFAOYSA-N 0 3 336.435 3.891 20 30 EHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCc2ccccc2C1 ZINC000512640955 1040377695 /nfs/dbraw/zinc/37/76/95/1040377695.db2.gz BUCAEBMKSMQJBN-CVEARBPZSA-N 0 3 337.442 3.795 20 30 EHEDHN COc1cccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433018468 1040460220 /nfs/dbraw/zinc/46/02/20/1040460220.db2.gz HOGRROZHHPMTIU-IBGZPJMESA-N 0 3 337.423 3.658 20 30 EHEDHN C=CCN1CCC(N=c2[nH]c3cc(Cl)cc(Cl)c3o2)CC1 ZINC000433050931 1040563752 /nfs/dbraw/zinc/56/37/52/1040563752.db2.gz FLXHDEBSFBVTNJ-UHFFFAOYSA-N 0 3 326.227 3.619 20 30 EHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@@H]1CC=CCC1 ZINC000542247727 1040650216 /nfs/dbraw/zinc/65/02/16/1040650216.db2.gz PMUDYCGNHLLAFT-ZIAGYGMSSA-N 0 3 331.847 3.827 20 30 EHEDHN C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000487197935 1040786318 /nfs/dbraw/zinc/78/63/18/1040786318.db2.gz GLKROFYIIUZHEW-IOMROCGXSA-N 0 3 349.478 3.567 20 30 EHEDHN CC(=O)NCCc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000092740965 1040968960 /nfs/dbraw/zinc/96/89/60/1040968960.db2.gz BPHODXRQASHACL-HZPDHXFCSA-N 0 3 335.451 3.649 20 30 EHEDHN CCC[C@H]1CCC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC001125943356 1041245608 /nfs/dbraw/zinc/24/56/08/1041245608.db2.gz YPLJSILWIDQSFV-PMACEKPBSA-N 0 3 341.499 3.665 20 30 EHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(F)ccc(Br)c1F ZINC000500378307 1041277605 /nfs/dbraw/zinc/27/76/05/1041277605.db2.gz RJPNOTUVWOHAEK-MEBBXXQBSA-N 0 3 346.215 3.798 20 30 EHEDHN CC[C@H]1CN(Cc2ccc(OCC#N)cc2)CCN1Cc1ccccc1 ZINC000759891642 1041340476 /nfs/dbraw/zinc/34/04/76/1041340476.db2.gz KLVMDAKBBHZESW-NRFANRHFSA-N 0 3 349.478 3.685 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)CC1 ZINC000660708128 1041786285 /nfs/dbraw/zinc/78/62/85/1041786285.db2.gz VOKJUQVTQLORQI-SFHVURJKSA-N 0 3 343.471 3.557 20 30 EHEDHN CCOCCOCCN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000190286267 1042554893 /nfs/dbraw/zinc/55/48/93/1042554893.db2.gz JOHVUEHCONYMAB-UHFFFAOYSA-N 0 3 338.451 3.710 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2CC2CCCCC2)CC1 ZINC000303271916 1042921369 /nfs/dbraw/zinc/92/13/69/1042921369.db2.gz GGALZMLIWVHCNL-IBGZPJMESA-N 0 3 333.520 3.781 20 30 EHEDHN CCCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)c1ccccc1 ZINC000604494848 1042956213 /nfs/dbraw/zinc/95/62/13/1042956213.db2.gz CADFGGVXLHZLKQ-FXAWDEMLSA-N 0 3 329.488 3.904 20 30 EHEDHN CC(C)[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N(C)C ZINC000106911932 1043101842 /nfs/dbraw/zinc/10/18/42/1043101842.db2.gz SNKAABBKICKBGD-LJQANCHMSA-N 0 3 337.423 3.875 20 30 EHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1ccccn1 ZINC000188677024 1043626030 /nfs/dbraw/zinc/62/60/30/1043626030.db2.gz DAXBBNAHXFCZOS-SECBINFHSA-N 0 3 328.784 3.677 20 30 EHEDHN Cc1ccc([C@@H](Cn2ccnc2)NCc2ccc(C#N)cc2)c(C)c1 ZINC000344834998 1044510719 /nfs/dbraw/zinc/51/07/19/1044510719.db2.gz HMIKQANCTHIBEG-OAQYLSRUSA-N 0 3 330.435 3.903 20 30 EHEDHN C=CCOc1c(Cl)cc(CNCc2cccc(CO)c2)cc1OC ZINC000623406414 1126948580 /nfs/dbraw/zinc/94/85/80/1126948580.db2.gz XXVRLANAMZMSFR-UHFFFAOYSA-N 0 3 347.842 3.696 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(NC(C)=O)cc2)c1 ZINC000073012250 1126975159 /nfs/dbraw/zinc/97/51/59/1126975159.db2.gz RNXKWTKWTNVSIM-LJQANCHMSA-N 0 3 337.423 3.616 20 30 EHEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654316810 1127109171 /nfs/dbraw/zinc/10/91/71/1127109171.db2.gz CXFCUWWLCBTURB-IAGOWNOFSA-N 0 3 330.497 3.711 20 30 EHEDHN C=CC[C@@H](CO)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000184271958 1127400360 /nfs/dbraw/zinc/40/03/60/1127400360.db2.gz JSVBXMRDVRQZMK-AWEZNQCLSA-N 0 3 325.330 3.992 20 30 EHEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301064956 1128571415 /nfs/dbraw/zinc/57/14/15/1128571415.db2.gz DHOQFTUAXSTLSP-QGZVFWFLSA-N 0 3 336.395 3.543 20 30 EHEDHN N#Cc1ccc(NCC2CCN(Cc3ccccc3Cl)CC2)nc1 ZINC000301213013 1128578960 /nfs/dbraw/zinc/57/89/60/1128578960.db2.gz YBHWTDUGUSPEQA-UHFFFAOYSA-N 0 3 340.858 3.931 20 30 EHEDHN N#Cc1cc(NC[C@H](c2ccco2)N2CCCC2)c2ccccc2n1 ZINC000301371217 1128588451 /nfs/dbraw/zinc/58/84/51/1128588451.db2.gz VHTUZDTUELASAL-LJQANCHMSA-N 0 3 332.407 3.948 20 30 EHEDHN COc1ccccc1[C@@H](CNc1ccc(C#N)nc1)N1CCCCC1 ZINC000301538981 1128595508 /nfs/dbraw/zinc/59/55/08/1128595508.db2.gz UVZZNWNEOWOPLA-LJQANCHMSA-N 0 3 336.439 3.601 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@H]2c2ccc(C)o2)CC1 ZINC000172584882 1128663585 /nfs/dbraw/zinc/66/35/85/1128663585.db2.gz XQOZJDUCDCDVBC-SFHVURJKSA-N 0 3 345.487 3.865 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000305748721 1128781332 /nfs/dbraw/zinc/78/13/32/1128781332.db2.gz XJGYHQPRAJIXNK-IAGOWNOFSA-N 0 3 342.464 3.716 20 30 EHEDHN Cc1ccc(NC(=O)[C@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)nc1 ZINC000253146624 1128872119 /nfs/dbraw/zinc/87/21/19/1128872119.db2.gz YPRVCHSACNHXNU-APWZRJJASA-N 0 3 348.450 3.673 20 30 EHEDHN CN(C)[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000075997285 1128896698 /nfs/dbraw/zinc/89/66/98/1128896698.db2.gz WLIQXEPACZJARS-QGZVFWFLSA-N 0 3 342.830 3.636 20 30 EHEDHN Cc1ccccc1NC(=O)C[C@@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000272194559 1120563684 /nfs/dbraw/zinc/56/36/84/1120563684.db2.gz IAJPJEIJWRZNKW-MRXNPFEDSA-N 0 3 333.435 3.863 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000494718100 1120747815 /nfs/dbraw/zinc/74/78/15/1120747815.db2.gz AFVPAZCKBQHBOZ-SJORKVTESA-N 0 3 335.517 3.881 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCOc2ccc(F)cc2)c([O-])c1 ZINC000914599641 1120921372 /nfs/dbraw/zinc/92/13/72/1120921372.db2.gz JRTRZUWFROJRBM-KGENOOAVSA-N 0 3 330.403 3.875 20 30 EHEDHN CC(C)[C@@H]1C[C@H](NCc2cc(C#N)ccc2Br)CCO1 ZINC000921959419 1128973989 /nfs/dbraw/zinc/97/39/89/1128973989.db2.gz FYILWSBTXLTIRI-ZBFHGGJFSA-N 0 3 337.261 3.614 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644247 1121358531 /nfs/dbraw/zinc/35/85/31/1121358531.db2.gz LEUODQDXZLNFAZ-MJGOQNOKSA-N 0 3 333.451 3.557 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000171723001 1121514015 /nfs/dbraw/zinc/51/40/15/1121514015.db2.gz CXNUKVHFRORYOC-UHFFFAOYSA-N 0 3 344.402 3.679 20 30 EHEDHN C=CCN1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000171725404 1121518951 /nfs/dbraw/zinc/51/89/51/1121518951.db2.gz RKODXURVUQTWHA-UHFFFAOYSA-N 0 3 334.463 3.663 20 30 EHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(N2CCOC2=O)c1 ZINC000496047852 1121623457 /nfs/dbraw/zinc/62/34/57/1121623457.db2.gz XRUCHDXSJWBPSF-VBKZILBWSA-N 0 3 347.418 3.853 20 30 EHEDHN Cc1cc(C)cc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000107071718 1121893093 /nfs/dbraw/zinc/89/30/93/1121893093.db2.gz TUNNAHMSBZALCC-DLBZAZTESA-N 0 3 327.472 3.685 20 30 EHEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000497422767 1122547260 /nfs/dbraw/zinc/54/72/60/1122547260.db2.gz SOKGFDMCBKCVCF-OAQYLSRUSA-N 0 3 335.451 3.504 20 30 EHEDHN COc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)cc2c1OCO2 ZINC000154365947 1122579294 /nfs/dbraw/zinc/57/92/94/1122579294.db2.gz ADQVNPZAOLVEBX-UHFFFAOYSA-N 0 3 338.407 3.706 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC1CCCC1 ZINC000069227552 1122759071 /nfs/dbraw/zinc/75/90/71/1122759071.db2.gz YVRHBUDVRMZZIZ-HNNXBMFYSA-N 0 3 331.435 3.583 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(c2cccc(OC)c2)CC1 ZINC000498669891 1123012133 /nfs/dbraw/zinc/01/21/33/1123012133.db2.gz IAYDHQKBDSTYBV-KRWDZBQOSA-N 0 3 344.499 3.688 20 30 EHEDHN N#CCC[C@@H](NCCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000556813505 1123134195 /nfs/dbraw/zinc/13/41/95/1123134195.db2.gz RWWHVEYTRLOVEJ-GOSISDBHSA-N 0 3 343.377 3.928 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCSC(C)(C)C)cc1 ZINC000155153487 1123255004 /nfs/dbraw/zinc/25/50/04/1123255004.db2.gz OFQBGMCYEDGTOP-HNNXBMFYSA-N 0 3 348.468 3.654 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000074206664 1123264847 /nfs/dbraw/zinc/26/48/47/1123264847.db2.gz NKXKNRNZBQJTMN-ZIAGYGMSSA-N 0 3 340.414 3.752 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1cc(F)ccc1F ZINC000920103216 1123291618 /nfs/dbraw/zinc/29/16/18/1123291618.db2.gz QIHMPUSBNWZAPX-CQSZACIVSA-N 0 3 339.345 3.661 20 30 EHEDHN CCOc1ccc(O)c(/C=N\C[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000921262049 1123500759 /nfs/dbraw/zinc/50/07/59/1123500759.db2.gz ZBMMDDRBVUIJQB-UOIFGXKSSA-N 0 3 326.440 3.821 20 30 EHEDHN CS[C@H]1CCCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000134613394 1123536555 /nfs/dbraw/zinc/53/65/55/1123536555.db2.gz XIYLKLIQZYNNPA-AEFFLSMTSA-N 0 3 345.512 3.539 20 30 EHEDHN CC(C)[C@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000609631869 1123634844 /nfs/dbraw/zinc/63/48/44/1123634844.db2.gz ALGHIEOJPXBZSO-SFHVURJKSA-N 0 3 327.472 3.691 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000610132300 1123739033 /nfs/dbraw/zinc/73/90/33/1123739033.db2.gz RUVJRWXBDCJTEB-GOSISDBHSA-N 0 3 340.398 3.922 20 30 EHEDHN Cc1ccc(NC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000616177071 1123958165 /nfs/dbraw/zinc/95/81/65/1123958165.db2.gz DFRIAJYFGHGSBN-GFCCVEGCSA-N 0 3 342.811 3.899 20 30 EHEDHN Cc1c([C@@H](C)NCc2ccc(OCC#N)cc2)cccc1[N+](=O)[O-] ZINC000180550000 1124029058 /nfs/dbraw/zinc/02/90/58/1124029058.db2.gz OTPMZCCHYLVUPC-CQSZACIVSA-N 0 3 325.368 3.656 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCc3ccccc3[C@H]2CC)CC1 ZINC000114596578 1129168911 /nfs/dbraw/zinc/16/89/11/1129168911.db2.gz XZXRRZXHZLJBOS-HXUWFJFHSA-N 0 3 341.499 3.746 20 30 EHEDHN C#CCN1CCC(C(=O)NCC2(C3CCCCC3)CCCCC2)CC1 ZINC001127617609 1124588771 /nfs/dbraw/zinc/58/87/71/1124588771.db2.gz LQIAXEOFTLFTFN-UHFFFAOYSA-N 0 3 344.543 3.979 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1C ZINC000734963798 1131296668 /nfs/dbraw/zinc/29/66/68/1131296668.db2.gz NESDQWPYLJMZCS-SJLPKXTDSA-N 0 3 328.456 3.894 20 30 EHEDHN C=CCC1(NC(=O)c2cccc(CN3CCCCC3)c2)CCOCC1 ZINC000618251425 1125029656 /nfs/dbraw/zinc/02/96/56/1125029656.db2.gz INRQZACEDVHMLB-UHFFFAOYSA-N 0 3 342.483 3.528 20 30 EHEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000069752178 1125038360 /nfs/dbraw/zinc/03/83/60/1125038360.db2.gz LYKCRCJKEGVQGK-HNNXBMFYSA-N 0 3 338.411 3.795 20 30 EHEDHN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1OC(F)F ZINC000618741276 1125178855 /nfs/dbraw/zinc/17/88/55/1125178855.db2.gz DAABEOGJEYRYSP-INIZCTEOSA-N 0 3 344.361 3.945 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000112215934 1125181492 /nfs/dbraw/zinc/18/14/92/1125181492.db2.gz JGCMCXDPIBUOGV-UHFFFAOYSA-N 0 3 347.890 3.669 20 30 EHEDHN CC(C)(C#N)c1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000619653996 1125378540 /nfs/dbraw/zinc/37/85/40/1125378540.db2.gz PGNRCINDBFQWPN-JOCHJYFZSA-N 0 3 334.463 3.801 20 30 EHEDHN Cc1ccccc1C(=O)NC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118393214 1129507558 /nfs/dbraw/zinc/50/75/58/1129507558.db2.gz ZFWJQSLJYNPCKG-QGZVFWFLSA-N 0 3 347.462 3.822 20 30 EHEDHN C=CC(C)(C)CCCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC001687503252 1129521398 /nfs/dbraw/zinc/52/13/98/1129521398.db2.gz PHVMHWANGGSKCE-UHFFFAOYSA-N 0 3 349.494 3.891 20 30 EHEDHN N#Cc1ccc(OCCNCc2ccc(-c3ccncc3)cc2F)cc1 ZINC000123760839 1129551325 /nfs/dbraw/zinc/55/13/25/1129551325.db2.gz VVTJMFGLWPOSPN-UHFFFAOYSA-N 0 3 347.393 3.928 20 30 EHEDHN CC1(c2ccccc2)CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093133755 1129577710 /nfs/dbraw/zinc/57/77/10/1129577710.db2.gz JRBWXDDKQNXKAI-UHFFFAOYSA-N 0 3 330.435 3.760 20 30 EHEDHN CCC[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1[O-] ZINC000727831109 1130598442 /nfs/dbraw/zinc/59/84/42/1130598442.db2.gz ISSDRQNWPKKPMA-UHFFFAOYSA-N 0 3 343.452 3.566 20 30 EHEDHN CCC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1[O-] ZINC000727831109 1130598449 /nfs/dbraw/zinc/59/84/49/1130598449.db2.gz ISSDRQNWPKKPMA-UHFFFAOYSA-N 0 3 343.452 3.566 20 30 EHEDHN Cc1c(NN=Cc2sc(N(C)C)nc2Cl)cccc1[N+](=O)[O-] ZINC000727973303 1130614844 /nfs/dbraw/zinc/61/48/44/1130614844.db2.gz GTQTUSDPPGMBOG-UHFFFAOYSA-N 0 3 339.808 3.525 20 30 EHEDHN C=CCN(C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(C)C ZINC000732072905 1130883466 /nfs/dbraw/zinc/88/34/66/1130883466.db2.gz SEIYQQBEZUAMQY-GOSISDBHSA-N 0 3 328.500 3.753 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000739142721 1131493415 /nfs/dbraw/zinc/49/34/15/1131493415.db2.gz DUERSKCBWMNWQU-YJBOKZPZSA-N 0 3 328.456 3.758 20 30 EHEDHN CCCCSCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000740536833 1131532803 /nfs/dbraw/zinc/53/28/03/1131532803.db2.gz XFWNNUQGLJMLRB-GFCCVEGCSA-N 0 3 338.860 3.911 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CNC[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000741256109 1131590421 /nfs/dbraw/zinc/59/04/21/1131590421.db2.gz KLVPSGGTHVGDRY-SJCJKPOMSA-N 0 3 348.805 3.593 20 30 EHEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000744026568 1132005391 /nfs/dbraw/zinc/00/53/91/1132005391.db2.gz YFNGWEYBABZLLV-RISCZKNCSA-N 0 3 330.771 3.693 20 30 EHEDHN C=CCOC1CCC(NCC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001173314505 1132058605 /nfs/dbraw/zinc/05/86/05/1132058605.db2.gz RADKNRJUYZJXNR-UHFFFAOYSA-N 0 3 341.373 3.992 20 30 EHEDHN CCN1CCN(c2ccc(NCc3c(C)cc(C#N)cc3C)cc2)CC1 ZINC001177379365 1133058383 /nfs/dbraw/zinc/05/83/83/1133058383.db2.gz VPZIGFUTUKGUCJ-UHFFFAOYSA-N 0 3 348.494 3.929 20 30 EHEDHN CS[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000773767340 1133194965 /nfs/dbraw/zinc/19/49/65/1133194965.db2.gz CBLDVBWTSWWXMH-ONGXEEELSA-N 0 3 342.823 3.658 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN(C)C[C@H]2OCCc3ccccc32)cc1 ZINC000769025834 1133215410 /nfs/dbraw/zinc/21/54/10/1133215410.db2.gz ZZPNIKMYBBHOHK-HRAATJIYSA-N 0 3 336.435 3.723 20 30 EHEDHN C#CC[C@@H](CCOC)NCc1cccc(Cl)c1Br ZINC001179286102 1133240789 /nfs/dbraw/zinc/24/07/89/1133240789.db2.gz ZQXYIBAAKRMHQP-LBPRGKRZSA-N 0 3 330.653 3.621 20 30 EHEDHN CC(C)C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000744408932 1133274104 /nfs/dbraw/zinc/27/41/04/1133274104.db2.gz HISZPAZAUNPXQG-HNNXBMFYSA-N 0 3 341.480 3.841 20 30 EHEDHN C#CC1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CCCC)CC1 ZINC001182233551 1133595160 /nfs/dbraw/zinc/59/51/60/1133595160.db2.gz HVYRSDXQMIXJHT-HXUWFJFHSA-N 0 3 326.484 3.722 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)OC)cc1 ZINC000786310979 1133835756 /nfs/dbraw/zinc/83/57/56/1133835756.db2.gz DIJKYARUCBMCKT-CJNGLKHVSA-N 0 3 330.428 3.663 20 30 EHEDHN COc1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1C#N ZINC000746740249 1134109223 /nfs/dbraw/zinc/10/92/23/1134109223.db2.gz DXMYRMITGRAUBC-UHFFFAOYSA-N 0 3 336.313 3.755 20 30 EHEDHN Cc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)ccc1C#N ZINC000774911036 1134118198 /nfs/dbraw/zinc/11/81/98/1134118198.db2.gz FPFCGWLCDULCET-CRAIPNDOSA-N 0 3 343.471 3.744 20 30 EHEDHN C#CCOc1cccc(Cl)c1CNCCc1ccc2c[nH]nc2c1 ZINC000790619233 1134446993 /nfs/dbraw/zinc/44/69/93/1134446993.db2.gz OQRGJIHIGGKUNN-UHFFFAOYSA-N 0 3 339.826 3.561 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1c(C)cccc1Cl ZINC000790768061 1134459232 /nfs/dbraw/zinc/45/92/32/1134459232.db2.gz RCEWFQQKUXXFQE-HNNXBMFYSA-N 0 3 334.847 3.596 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000796738630 1134684045 /nfs/dbraw/zinc/68/40/45/1134684045.db2.gz LSTXPBLMGSQXOC-QJPTWQEYSA-N 0 3 335.329 3.728 20 30 EHEDHN N#CC1(c2ccccc2)CCC(NCc2ncc(F)cc2F)CC1 ZINC001170366957 1134757411 /nfs/dbraw/zinc/75/74/11/1134757411.db2.gz BQAKJGYKZAREKE-UHFFFAOYSA-N 0 3 327.378 3.854 20 30 EHEDHN N#Cc1cccc([C@@H](O)CN2CCC(Cc3ccccc3F)CC2)c1 ZINC001191522052 1134879273 /nfs/dbraw/zinc/87/92/73/1134879273.db2.gz ZRFRWELESLKSQE-NRFANRHFSA-N 0 3 338.426 3.685 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC000804371493 1135049588 /nfs/dbraw/zinc/04/95/88/1135049588.db2.gz ACXSDXAHXOZLPB-AAEUAGOBSA-N 0 3 332.860 3.916 20 30 EHEDHN N#CC1(c2ccccc2)CC(NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000158447265 1135067857 /nfs/dbraw/zinc/06/78/57/1135067857.db2.gz ILCXWCXRNHMVFV-SCCNAQOGSA-N 0 3 335.451 3.630 20 30 EHEDHN CC[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)[C@@H]1C ZINC001193608522 1135158696 /nfs/dbraw/zinc/15/86/96/1135158696.db2.gz YJMXCSOOALDBDL-FGTMMUONSA-N 0 3 327.472 3.751 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001195497756 1135434250 /nfs/dbraw/zinc/43/42/50/1135434250.db2.gz KZZXSFNPVIFBHY-RKVPGOIHSA-N 0 3 328.456 3.919 20 30 EHEDHN C=CC[C@@H](NC(=O)N(CCC)CCN1CCCCC1)c1ccncc1 ZINC000806819457 1135495681 /nfs/dbraw/zinc/49/56/81/1135495681.db2.gz PPKKHIOUUCMLMP-LJQANCHMSA-N 0 3 344.503 3.606 20 30 EHEDHN C#CCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CCCCC1 ZINC000807740907 1135567126 /nfs/dbraw/zinc/56/71/26/1135567126.db2.gz WVRUFBPTRMEDAN-QUCCMNQESA-N 0 3 338.495 3.739 20 30 EHEDHN C#CCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CCCCC1 ZINC000807740906 1135567160 /nfs/dbraw/zinc/56/71/60/1135567160.db2.gz WVRUFBPTRMEDAN-ICSRJNTNSA-N 0 3 338.495 3.739 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCCC[C@H](C)C2)cc1 ZINC000775733125 1135592384 /nfs/dbraw/zinc/59/23/84/1135592384.db2.gz YQYBALHUPYABCH-ROUUACIJSA-N 0 3 327.472 3.752 20 30 EHEDHN CCc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1C#N ZINC001197293050 1135675152 /nfs/dbraw/zinc/67/51/52/1135675152.db2.gz YVVYARISOVJENU-NRFANRHFSA-N 0 3 347.462 3.688 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCc2cccc3cccc1c32 ZINC001197987157 1135763885 /nfs/dbraw/zinc/76/38/85/1135763885.db2.gz APQSSTDBJITODP-VQPPSCEASA-N 0 3 349.478 3.860 20 30 EHEDHN C#C[C@H]1CCCCN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC001198525463 1135828292 /nfs/dbraw/zinc/82/82/92/1135828292.db2.gz MFFLNFAJEUALRN-ZDUSSCGKSA-N 0 3 325.239 3.810 20 30 EHEDHN CC(C)c1ccc(NC(=S)N2CCC3SC(=O)C=C3C2)cc1 ZINC001198601744 1135836591 /nfs/dbraw/zinc/83/65/91/1135836591.db2.gz KIPFUFOGFYWZIG-HNNXBMFYSA-N 0 3 332.494 3.781 20 30 EHEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000747560359 1135837489 /nfs/dbraw/zinc/83/74/89/1135837489.db2.gz CEUVECOFGYSQDQ-BBWFWOEESA-N 0 3 344.842 3.601 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000775892119 1135857820 /nfs/dbraw/zinc/85/78/20/1135857820.db2.gz RCYRXTIOHSXRTH-NRFANRHFSA-N 0 3 334.419 3.610 20 30 EHEDHN C#Cc1ccc(CNc2ccc(N3CCN(CC)CC3)cc2C)cc1 ZINC000809595258 1135859186 /nfs/dbraw/zinc/85/91/86/1135859186.db2.gz IIGHEUXPIWFLGG-UHFFFAOYSA-N 0 3 333.479 3.730 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000809655421 1135865794 /nfs/dbraw/zinc/86/57/94/1135865794.db2.gz KDSDAKBPMQWZON-OXQOHEQNSA-N 0 3 338.451 3.827 20 30 EHEDHN C#C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000809684293 1135871429 /nfs/dbraw/zinc/87/14/29/1135871429.db2.gz XLDQTZBWZBZDIU-MRXNPFEDSA-N 0 3 331.419 3.659 20 30 EHEDHN C#C[C@@H](NCc1ccc(OC)c(OCc2cccnc2)c1)C(C)(C)C ZINC000809781290 1135890381 /nfs/dbraw/zinc/89/03/81/1135890381.db2.gz NSNKJWGGWVPEHK-HXUWFJFHSA-N 0 3 338.451 3.807 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccccc1)C1CCCCC1 ZINC000776005198 1135918880 /nfs/dbraw/zinc/91/88/80/1135918880.db2.gz CQTKNWUASAQXRG-DYESRHJHSA-N 0 3 341.499 3.906 20 30 EHEDHN C[C@H](O)c1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000810134361 1135926208 /nfs/dbraw/zinc/92/62/08/1135926208.db2.gz SKXSWXCJQWAFEY-LBPRGKRZSA-N 0 3 334.341 3.920 20 30 EHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(N3CCCCC3=O)cc1)CC2 ZINC000810212450 1135938093 /nfs/dbraw/zinc/93/80/93/1135938093.db2.gz BEYFBDQORQVURG-NRFANRHFSA-N 0 3 345.446 3.852 20 30 EHEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000776078119 1135949073 /nfs/dbraw/zinc/94/90/73/1135949073.db2.gz UFXXKHKYATXFGL-HZPDHXFCSA-N 0 3 344.842 3.528 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2(CCF)CC2)cc1 ZINC000810533834 1135970797 /nfs/dbraw/zinc/97/07/97/1135970797.db2.gz XEUAAXNGHVCLQQ-XJKSGUPXSA-N 0 3 330.403 3.987 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1cc(Cl)ccc1Cl ZINC001201091548 1135987245 /nfs/dbraw/zinc/98/72/45/1135987245.db2.gz RQANKUCLWZNTBG-LBPRGKRZSA-N 0 3 344.311 3.930 20 30 EHEDHN CN(C)c1ccncc1CN=Nc1ncc(C(F)(F)F)cc1Cl ZINC000776183042 1136017569 /nfs/dbraw/zinc/01/75/69/1136017569.db2.gz HLJUOJISMKTCGL-UHFFFAOYSA-N 0 3 343.740 3.661 20 30 EHEDHN Cc1nc(C#N)ccc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201474132 1136032239 /nfs/dbraw/zinc/03/22/39/1136032239.db2.gz BMNTZESSGKSRIJ-UXHICEINSA-N 0 3 330.435 3.994 20 30 EHEDHN C#C[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc(Cl)cc1 ZINC000812350869 1136197209 /nfs/dbraw/zinc/19/72/09/1136197209.db2.gz CNASDRHVZZJBCU-GOSISDBHSA-N 0 3 326.827 3.506 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cccc2[nH]c(C#N)cc21 ZINC001170681557 1136226648 /nfs/dbraw/zinc/22/66/48/1136226648.db2.gz IQSGNHJRRQYCGB-ZDUSSCGKSA-N 0 3 327.391 3.912 20 30 EHEDHN C#C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000812795478 1136251445 /nfs/dbraw/zinc/25/14/45/1136251445.db2.gz YOMQCTGNNFGHDE-QZTJIDSGSA-N 0 3 346.446 3.879 20 30 EHEDHN C#C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000812793153 1136251801 /nfs/dbraw/zinc/25/18/01/1136251801.db2.gz NGKKKJVARHVYSD-NRFANRHFSA-N 0 3 333.410 3.630 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000850760618 1136301434 /nfs/dbraw/zinc/30/14/34/1136301434.db2.gz VLJWSFXLOFXCCK-YPMHNXCESA-N 0 3 339.222 3.616 20 30 EHEDHN COC1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCCC1 ZINC000813211764 1136302975 /nfs/dbraw/zinc/30/29/75/1136302975.db2.gz PTNASWUETLBDLY-GFCCVEGCSA-N 0 3 326.318 3.626 20 30 EHEDHN N#CC(C(=O)C=C1CCSCC1)c1cc(C(F)(F)F)ccn1 ZINC000813211812 1136303144 /nfs/dbraw/zinc/30/31/44/1136303144.db2.gz QWJLHSNTPYVFCE-LBPRGKRZSA-N 0 3 326.343 3.730 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(N2CCCOC2=O)cc1 ZINC000814302182 1136437852 /nfs/dbraw/zinc/43/78/52/1136437852.db2.gz AONVFBDXMWHNEZ-CYBMUJFWSA-N 0 3 341.436 3.817 20 30 EHEDHN CN(C)c1ncc(C=NN(Cc2ccccc2)c2ccccc2)cn1 ZINC000814685418 1136490867 /nfs/dbraw/zinc/49/08/67/1136490867.db2.gz HZPLNDWPBTUJKJ-UHFFFAOYSA-N 0 3 331.423 3.583 20 30 EHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815624932 1136620940 /nfs/dbraw/zinc/62/09/40/1136620940.db2.gz OBDFTXFRPKMJHB-CYBMUJFWSA-N 0 3 327.384 3.593 20 30 EHEDHN N#Cc1ccccc1CN[C@H]1CCc2ccc(Br)cc2C1 ZINC001170851928 1136770967 /nfs/dbraw/zinc/77/09/67/1136770967.db2.gz VLVBYSAFSVABND-SFHVURJKSA-N 0 3 341.252 3.968 20 30 EHEDHN CCCCCCCCCN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856556068 1136794660 /nfs/dbraw/zinc/79/46/60/1136794660.db2.gz JCRLEEHUNWEQAG-RBUKOAKNSA-N 0 3 331.504 3.587 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000856759623 1136807677 /nfs/dbraw/zinc/80/76/77/1136807677.db2.gz XGLWEQXIFBVLNJ-KURKYZTESA-N 0 3 327.472 3.608 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCC2)c1 ZINC000114617881 1136813737 /nfs/dbraw/zinc/81/37/37/1136813737.db2.gz CKSQJOWJLYZUKF-SUMWQHHRSA-N 0 3 328.412 3.559 20 30 EHEDHN C#CCN(C)CCCNC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000818612411 1136885647 /nfs/dbraw/zinc/88/56/47/1136885647.db2.gz YQABMQOKCKDGFV-UHFFFAOYSA-N 0 3 340.854 3.692 20 30 EHEDHN C=C[C@@H](C(=O)NC[C@H](CC)N1CCc2ccccc2C1)c1ccccc1 ZINC001136201105 1136926390 /nfs/dbraw/zinc/92/63/90/1136926390.db2.gz VQEOPTZHTBFXQY-FCHUYYIVSA-N 0 3 348.490 3.909 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)c1cc(C#N)ccc1C)c1ccsc1 ZINC001136215281 1136938139 /nfs/dbraw/zinc/93/81/39/1136938139.db2.gz DGFIEADQFRHEDS-SFHVURJKSA-N 0 3 341.480 3.741 20 30 EHEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H](C)C1 ZINC000823510080 1137104112 /nfs/dbraw/zinc/10/41/12/1137104112.db2.gz WCQZGXKUOYOKTE-MGPQQGTHSA-N 0 3 327.453 3.593 20 30 EHEDHN C[C@@H]1C[C@H](CN2CCC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000824147194 1137126066 /nfs/dbraw/zinc/12/60/66/1137126066.db2.gz IDYBOBZVCPAHIO-MDZRGWNJSA-N 0 3 335.492 3.648 20 30 EHEDHN C#CCCCCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000119491993 1137189765 /nfs/dbraw/zinc/18/97/65/1137189765.db2.gz AZUOVNLSSHCRQF-QGZVFWFLSA-N 0 3 332.513 3.831 20 30 EHEDHN CN1Cc2c(NC(=O)CCS)cccc2[C@H](c2ccccc2)C1 ZINC001143985310 1137221278 /nfs/dbraw/zinc/22/12/78/1137221278.db2.gz HOZQUWNONFXGRM-INIZCTEOSA-N 0 3 326.465 3.522 20 30 EHEDHN N#Cc1ccccc1CSCCNCc1cnc(Cl)c(F)c1 ZINC000865405735 1137280455 /nfs/dbraw/zinc/28/04/55/1137280455.db2.gz UKAIWTVOXYIDRZ-UHFFFAOYSA-N 0 3 335.835 3.769 20 30 EHEDHN N=C(Nc1ccc2c(c1)OCCCO2)c1ccc2cc(O)ccc2c1 ZINC001171182534 1137293392 /nfs/dbraw/zinc/29/33/92/1137293392.db2.gz OIXDNYSUFGALOT-UHFFFAOYSA-N 0 3 334.375 3.744 20 30 EHEDHN [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000846757397 1137363581 /nfs/dbraw/zinc/36/35/81/1137363581.db2.gz YNBKYVGTJTWJBG-NZRXSWGUSA-N 0 3 337.261 3.591 20 30 EHEDHN [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000846757397 1137363583 /nfs/dbraw/zinc/36/35/83/1137363583.db2.gz YNBKYVGTJTWJBG-NZRXSWGUSA-N 0 3 337.261 3.591 20 30 EHEDHN COc1ccc([C@H](CNc2ccc(C#N)cc2C)N(C)C)cc1OC ZINC000846745573 1137364221 /nfs/dbraw/zinc/36/42/21/1137364221.db2.gz JLTGSSPOTXEPRU-SFHVURJKSA-N 0 3 339.439 3.599 20 30 EHEDHN N#CC(C(=O)CCc1cccc2ccccc21)C(=O)NC1CCCC1 ZINC000870158744 1137478855 /nfs/dbraw/zinc/47/88/55/1137478855.db2.gz JWHNOKBKPNTYRL-LJQANCHMSA-N 0 3 334.419 3.540 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C2CCCCC2)C1 ZINC001171799755 1137513206 /nfs/dbraw/zinc/51/32/06/1137513206.db2.gz RNXXTOULWMSQQN-CRAIPNDOSA-N 0 3 325.456 3.787 20 30 EHEDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H](NCc1cc(C#N)co1)C2 ZINC001172087531 1137532007 /nfs/dbraw/zinc/53/20/07/1137532007.db2.gz GHCSKGDISYDBIC-MUJYYYPQSA-N 0 3 345.443 3.561 20 30 EHEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3ccc4nccnc4c3)C2)c1 ZINC001137090263 1137634062 /nfs/dbraw/zinc/63/40/62/1137634062.db2.gz ZBFNUEDSHMVHPE-IBGZPJMESA-N 0 3 344.418 3.545 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000876561240 1137655625 /nfs/dbraw/zinc/65/56/25/1137655625.db2.gz OEIIHCWRCIPKRA-AWEZNQCLSA-N 0 3 340.901 3.808 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000876685589 1137659048 /nfs/dbraw/zinc/65/90/48/1137659048.db2.gz SMTNEZJDBYQBIC-WHLNNUNGSA-N 0 3 327.255 3.623 20 30 EHEDHN C[C@@H](OCCCNCc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876903849 1137665010 /nfs/dbraw/zinc/66/50/10/1137665010.db2.gz YUQCPAXMWUFWCV-CQSZACIVSA-N 0 3 329.831 3.864 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCc1ccc(C)cc1)Cc1ccco1 ZINC000876989186 1137667126 /nfs/dbraw/zinc/66/71/26/1137667126.db2.gz RAFJAIZOZOQWPS-GOSISDBHSA-N 0 3 346.858 3.629 20 30 EHEDHN C[C@@H](CCC#N)C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000877033797 1137668261 /nfs/dbraw/zinc/66/82/61/1137668261.db2.gz NXQGARPJMYHBND-WMLDXEAASA-N 0 3 335.879 3.539 20 30 EHEDHN Cc1ccccc1O[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001137119551 1137674780 /nfs/dbraw/zinc/67/47/80/1137674780.db2.gz VIFLKTMPFFLDQC-HXUWFJFHSA-N 0 3 336.435 3.941 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc(Cl)ccc1Br ZINC000877496789 1137678496 /nfs/dbraw/zinc/67/84/96/1137678496.db2.gz WWOUNMMHTJVWAS-HZMBPMFUSA-N 0 3 345.668 3.568 20 30 EHEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000878013935 1137699546 /nfs/dbraw/zinc/69/95/46/1137699546.db2.gz GMMOGBPQPWXGGM-RBBKRZOGSA-N 0 3 332.447 3.917 20 30 EHEDHN CO[C@]1(C)C[C@H](N(C)CC[C@](C#N)(C(C)=O)c2ccccc2)C1(C)C ZINC000878152071 1137704746 /nfs/dbraw/zinc/70/47/46/1137704746.db2.gz FTYRUPJPRBLERN-TYPHKJRUSA-N 0 3 342.483 3.562 20 30 EHEDHN C=C(C)[C@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccc(F)c(F)c1 ZINC000878451499 1137716614 /nfs/dbraw/zinc/71/66/14/1137716614.db2.gz MRYNRYVOXCBKTE-QAPCUYQASA-N 0 3 337.410 3.900 20 30 EHEDHN CC(C)(C)c1csc(CC2(O)CCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000879614030 1137752534 /nfs/dbraw/zinc/75/25/34/1137752534.db2.gz XCEHZWOOJBDJTI-GJZGRUSLSA-N 0 3 347.528 3.502 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879918480 1137762430 /nfs/dbraw/zinc/76/24/30/1137762430.db2.gz FCNBHUZYTRTWDJ-MRXNPFEDSA-N 0 3 338.455 3.793 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918480 1137762431 /nfs/dbraw/zinc/76/24/31/1137762431.db2.gz FCNBHUZYTRTWDJ-MRXNPFEDSA-N 0 3 338.455 3.793 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@](C)(O)c2ccc(F)cc2)c([O-])c1 ZINC000132952785 1137872955 /nfs/dbraw/zinc/87/29/55/1137872955.db2.gz ARNAXJVMSSIRNI-CCULFSDZSA-N 0 3 344.430 3.704 20 30 EHEDHN Cc1cccc2c1CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000429559789 1137882205 /nfs/dbraw/zinc/88/22/05/1137882205.db2.gz ICHBKHCHIMKZOF-UHFFFAOYSA-N 0 3 342.446 3.826 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cc(C)sc2C)CC1 ZINC000106259124 1137883045 /nfs/dbraw/zinc/88/30/45/1137883045.db2.gz PDSGYHGXHZJYAZ-CQSZACIVSA-N 0 3 335.517 3.766 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CCSC)cc2)CC1 ZINC000106325347 1137883305 /nfs/dbraw/zinc/88/33/05/1137883305.db2.gz ZMFWHTOSNFJHNB-UHFFFAOYSA-N 0 3 347.528 3.754 20 30 EHEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000113313975 1137912575 /nfs/dbraw/zinc/91/25/75/1137912575.db2.gz MYMVYDDBRWMJCF-MRXNPFEDSA-N 0 3 337.419 3.711 20 30 EHEDHN C#CCCOc1ccc(CNCc2cccc(N3CCCC3=O)c2)cc1 ZINC000113321746 1137912717 /nfs/dbraw/zinc/91/27/17/1137912717.db2.gz WJNXACTYAONRBK-UHFFFAOYSA-N 0 3 348.446 3.505 20 30 EHEDHN C=CCCC[C@H](C(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1 ZINC000884244152 1137936824 /nfs/dbraw/zinc/93/68/24/1137936824.db2.gz ZAYHFTIATHEJFH-IBGZPJMESA-N 0 3 335.451 3.806 20 30 EHEDHN CCCC[C@H](CC)CCCN(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884422375 1137959624 /nfs/dbraw/zinc/95/96/24/1137959624.db2.gz VMMADVVBBZWQEQ-FFEBTUMSSA-N 0 3 333.520 3.581 20 30 EHEDHN N#CC1(C[C@H](O)CN[C@H](c2ccccc2)c2ccc(F)cc2)CCC1 ZINC000886065721 1138037420 /nfs/dbraw/zinc/03/74/20/1138037420.db2.gz VOBXJHNAGZKBIT-VQTJNVASSA-N 0 3 338.426 3.950 20 30 EHEDHN N#CC1(C[C@@H](O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)CCC1 ZINC000886109030 1138047471 /nfs/dbraw/zinc/04/74/71/1138047471.db2.gz AMSKFXZCMXONML-HUUCEWRRSA-N 0 3 344.352 3.854 20 30 EHEDHN CC(C)OC(=O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000886725596 1138126467 /nfs/dbraw/zinc/12/64/67/1138126467.db2.gz JQCKYOOGZLUUTF-UHFFFAOYSA-N 0 3 328.456 3.651 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000123679722 1138273223 /nfs/dbraw/zinc/27/32/23/1138273223.db2.gz WGOMWUBNWPUXGN-UHFFFAOYSA-N 0 3 344.352 3.615 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2ccc(C)cc2C)CC1 ZINC000264349080 1138483838 /nfs/dbraw/zinc/48/38/38/1138483838.db2.gz LFKUDQNNLZQHPH-KRWDZBQOSA-N 0 3 329.488 3.656 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2cccc(Cl)c2)C(C)C)CC1 ZINC000264367087 1138490135 /nfs/dbraw/zinc/49/01/35/1138490135.db2.gz PXSJFHDTWLVPRI-UHFFFAOYSA-N 0 3 349.906 3.910 20 30 EHEDHN C=CCSCCNCc1cc(OC)ccc1OCc1ccccn1 ZINC000264399042 1138501284 /nfs/dbraw/zinc/50/12/84/1138501284.db2.gz VMVIENPZGTWOMR-UHFFFAOYSA-N 0 3 344.480 3.678 20 30 EHEDHN N#CCOc1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000264529143 1138548806 /nfs/dbraw/zinc/54/88/06/1138548806.db2.gz CVFWTVDMFOGZTO-NRFANRHFSA-N 0 3 336.435 3.770 20 30 EHEDHN COc1cc(C)c(CN(C)Cc2ccc(OCC#N)cc2)cc1OC ZINC000264587221 1138567893 /nfs/dbraw/zinc/56/78/93/1138567893.db2.gz XOTRXZPDUJWUSO-UHFFFAOYSA-N 0 3 340.423 3.547 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(C3CCC3)cs2)CC1 ZINC000283007832 1138584699 /nfs/dbraw/zinc/58/46/99/1138584699.db2.gz MSKSGWVNXUGCJT-UHFFFAOYSA-N 0 3 334.489 3.573 20 30 EHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000150892829 1138990624 /nfs/dbraw/zinc/99/06/24/1138990624.db2.gz JHJHUIAGPNMBAA-HNNXBMFYSA-N 0 3 331.460 3.650 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173790550 1139377945 /nfs/dbraw/zinc/37/79/45/1139377945.db2.gz XCIWCPWUEIVHAR-HZPDHXFCSA-N 0 3 339.414 3.812 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN2CCC(n3ccnc3)CC2)cc1 ZINC000177157417 1139600524 /nfs/dbraw/zinc/60/05/24/1139600524.db2.gz LTSPIUWLADKLLF-UHFFFAOYSA-N 0 3 333.357 3.591 20 30 EHEDHN Cc1cc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)c(C)s1 ZINC000179373626 1139752882 /nfs/dbraw/zinc/75/28/82/1139752882.db2.gz SFXALKARTNIPDG-UONOGXRCSA-N 0 3 333.501 3.747 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)c1cc2ccccc2s1 ZINC000184361890 1140098499 /nfs/dbraw/zinc/09/84/99/1140098499.db2.gz MNKUKTGQJJQIHE-FZKQIMNGSA-N 0 3 329.469 3.606 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2scnc2C2CCCC2)CC1 ZINC000184722146 1140117643 /nfs/dbraw/zinc/11/76/43/1140117643.db2.gz JGDBGSVJHVWSEI-UHFFFAOYSA-N 0 3 333.501 3.571 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000185407680 1140149216 /nfs/dbraw/zinc/14/92/16/1140149216.db2.gz XTKBWKXPDUHUKX-UHFFFAOYSA-N 0 3 346.780 3.739 20 30 EHEDHN CCc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190633127 1140413026 /nfs/dbraw/zinc/41/30/26/1140413026.db2.gz WUPJCXFCJQODSI-KKSFZXQISA-N 0 3 347.462 3.572 20 30 EHEDHN CCc1nc2c(s1)[C@H](N(C)C[C@@H](O)c1ccc(C#N)cc1)CCC2 ZINC000268738356 1140979014 /nfs/dbraw/zinc/97/90/14/1140979014.db2.gz PEYUHGALRDLYEM-IAGOWNOFSA-N 0 3 341.480 3.620 20 30 EHEDHN C#CCOc1ccccc1CN[C@@H](C)CC(=O)Nc1ccccc1C ZINC000271411595 1141360539 /nfs/dbraw/zinc/36/05/39/1141360539.db2.gz AHMIAZFQEHUXIJ-KRWDZBQOSA-N 0 3 336.435 3.514 20 30 EHEDHN C#CCOc1ccccc1CN[C@H](C)CC(=O)Nc1ccccc1C ZINC000271411597 1141361161 /nfs/dbraw/zinc/36/11/61/1141361161.db2.gz AHMIAZFQEHUXIJ-QGZVFWFLSA-N 0 3 336.435 3.514 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(OCC#N)cc1 ZINC000271494164 1141380058 /nfs/dbraw/zinc/38/00/58/1141380058.db2.gz PIJMIVAFOTVETJ-ISQRANHSSA-N 0 3 342.464 3.738 20 30 EHEDHN COc1ccc([C@H](OC)[C@@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000271589412 1141403146 /nfs/dbraw/zinc/40/31/46/1141403146.db2.gz WOPZMIOWRNNVSX-BFUOFWGJSA-N 0 3 328.387 3.572 20 30 EHEDHN CC(C)O[C@H](C(=O)C(C#N)c1nc2ccccc2n1C)c1ccccc1 ZINC000796709229 1014851751 /nfs/dbraw/zinc/85/17/51/1014851751.db2.gz XLWMAMONWCTIEF-UZLBHIALSA-N 0 3 347.418 3.916 20 30 EHEDHN C[C@H]1C[C@@H](Nc2nc(Cl)c(C#N)s2)CN1Cc1ccccc1 ZINC000306689364 1015430905 /nfs/dbraw/zinc/43/09/05/1015430905.db2.gz OAHIZYSHIYOEJF-WCQYABFASA-N 0 3 332.860 3.743 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000538364768 1032311166 /nfs/dbraw/zinc/31/11/66/1032311166.db2.gz JQCKJJVHYJAUGO-HKUYNNGSSA-N 0 3 329.488 3.647 20 30 EHEDHN COc1ccc(CN2CC(C3CCCC3)C2)cc1OCCCC#N ZINC000459617564 1032328140 /nfs/dbraw/zinc/32/81/40/1032328140.db2.gz RBHRAEIGZNMVRK-UHFFFAOYSA-N 0 3 328.456 4.000 20 30 EHEDHN CCOc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1OCC(C)C ZINC000905082902 1032333613 /nfs/dbraw/zinc/33/36/13/1032333613.db2.gz YIBZFNTVTUHVCE-ATDKOCKZSA-N 0 3 341.411 3.553 20 30 EHEDHN CCN(CC)[C@H](CNc1cc(C#N)nc2ccccc21)c1ccco1 ZINC000610274175 1017161162 /nfs/dbraw/zinc/16/11/62/1017161162.db2.gz OLVUIFWCTBOULI-LJQANCHMSA-N 0 3 334.423 3.616 20 30 EHEDHN C=C(C)COc1cc(CN2CC[C@H](OC)C(C)(C)C2)ccc1OC ZINC000449502638 1032684328 /nfs/dbraw/zinc/68/43/28/1032684328.db2.gz RRILWOGLJMXLNQ-IBGZPJMESA-N 0 3 333.472 3.897 20 30 EHEDHN C=C(C)C[C@@H](C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000376972516 1017223854 /nfs/dbraw/zinc/22/38/54/1017223854.db2.gz RBCRQTWNWBFTCU-LRVUVFPRSA-N 0 3 332.410 3.510 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000544894168 1017354168 /nfs/dbraw/zinc/35/41/68/1017354168.db2.gz SNTKJVGNGRFIAG-CKJXQJPGSA-N 0 3 341.499 3.659 20 30 EHEDHN COc1ccc(C)cc1[C@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000341004094 1017563650 /nfs/dbraw/zinc/56/36/50/1017563650.db2.gz AHMZRQYDIGEWJO-HNNXBMFYSA-N 0 3 337.423 3.555 20 30 EHEDHN CCCN(C)[C@H](CNC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000574183585 1032733409 /nfs/dbraw/zinc/73/34/09/1032733409.db2.gz LJBMSGSWYIWXAH-MRXNPFEDSA-N 0 3 335.879 3.779 20 30 EHEDHN C[C@H]1C[C@@H]1c1noc(CC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000593075020 1032768823 /nfs/dbraw/zinc/76/88/23/1032768823.db2.gz ACATZMUDEKBWCB-KSSFIOAISA-N 0 3 336.439 3.519 20 30 EHEDHN COc1cccc(CN2CCC(Oc3cccc(C#N)c3)CC2)c1C ZINC001167355951 1018666799 /nfs/dbraw/zinc/66/67/99/1018666799.db2.gz FNQNUFYFYHYQPH-UHFFFAOYSA-N 0 3 336.435 3.919 20 30 EHEDHN C(=NO[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000588384767 1019791127 /nfs/dbraw/zinc/79/11/27/1019791127.db2.gz BXKWVDOZJVCJEC-NRFANRHFSA-N 0 3 336.435 3.951 20 30 EHEDHN N#Cc1ccc2ncc(CN3CCC[C@@H](Cc4ccccc4)C3)n2c1 ZINC000513641701 1019888050 /nfs/dbraw/zinc/88/80/50/1019888050.db2.gz FXTQSEQKWSDJDF-SFHVURJKSA-N 0 3 330.435 3.661 20 30 EHEDHN C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCC(F)(F)CC1 ZINC000594046808 1032879985 /nfs/dbraw/zinc/87/99/85/1032879985.db2.gz ZGGSJNGJGZVIEB-GFCCVEGCSA-N 0 3 346.381 3.912 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1[C@H](C)c1ccccc1 ZINC000760355106 1032885220 /nfs/dbraw/zinc/88/52/20/1032885220.db2.gz AIVHWULAAZGIJF-DNVCBOLYSA-N 0 3 344.418 3.994 20 30 EHEDHN O=C1C=COC2(CCN(Cc3ccc(F)c4ccccc34)CC2)C1 ZINC000897599500 1032904531 /nfs/dbraw/zinc/90/45/31/1032904531.db2.gz NMIKLOIULJTBMX-UHFFFAOYSA-N 0 3 325.383 3.817 20 30 EHEDHN N#Cc1ccc(CN[C@@H](CN2CCCCC2)c2ccccc2)s1 ZINC000610511925 1021126682 /nfs/dbraw/zinc/12/66/82/1021126682.db2.gz JXEQORIEPXJSAI-IBGZPJMESA-N 0 3 325.481 3.937 20 30 EHEDHN C[C@H](N[C@@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000426285221 1021167400 /nfs/dbraw/zinc/16/74/00/1021167400.db2.gz ADTGSFCTKWBSMZ-DZGCQCFKSA-N 0 3 327.378 3.766 20 30 EHEDHN C=CCC[C@@H](NC[C@H](O)c1cc(OC)cc(OC)c1)c1ccco1 ZINC000276397254 1021179825 /nfs/dbraw/zinc/17/98/25/1021179825.db2.gz CQBYBQHYAIKMAY-MSOLQXFVSA-N 0 3 331.412 3.627 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000519610205 1021344131 /nfs/dbraw/zinc/34/41/31/1021344131.db2.gz SMYMTAWQWGIKHI-QWHCGFSZSA-N 0 3 327.306 3.677 20 30 EHEDHN COc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1NC(C)=O ZINC000519649755 1021598541 /nfs/dbraw/zinc/59/85/41/1021598541.db2.gz HTNJPFMRQVMLOX-CQSZACIVSA-N 0 3 337.423 3.570 20 30 EHEDHN Cc1nc(C(C#N)C(=O)Nc2nc3ccccc3s2)sc1C ZINC000155649578 1021679835 /nfs/dbraw/zinc/67/98/35/1021679835.db2.gz WTPJUCFHRABYCJ-JTQLQIEISA-N 0 3 328.422 3.616 20 30 EHEDHN CCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H](CC)c1ccccc1 ZINC000520172803 1021987562 /nfs/dbraw/zinc/98/75/62/1021987562.db2.gz ZXFBOCGMIDKDAZ-UYAOXDASSA-N 0 3 327.472 3.658 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CCC2CC2)c1 ZINC000441224718 1022080878 /nfs/dbraw/zinc/08/08/78/1022080878.db2.gz LREJQWWRJCUIKK-QGZVFWFLSA-N 0 3 327.472 3.671 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000574306630 1033034790 /nfs/dbraw/zinc/03/47/90/1033034790.db2.gz BOWXYTNTOUMWIP-WBMJQRKESA-N 0 3 345.830 3.664 20 30 EHEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441374675 1022194061 /nfs/dbraw/zinc/19/40/61/1022194061.db2.gz GEMRLYKCLRBEJE-WOJBJXKFSA-N 0 3 326.484 3.764 20 30 EHEDHN O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CCCN1C1CCCC1 ZINC000328749479 1022480775 /nfs/dbraw/zinc/48/07/75/1022480775.db2.gz BQCIVTRSQARFMK-LJQANCHMSA-N 0 3 338.455 3.926 20 30 EHEDHN CC(C)CNC(=O)c1cccc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000330714835 1022658124 /nfs/dbraw/zinc/65/81/24/1022658124.db2.gz SHLQATKCKZIXPF-RBUKOAKNSA-N 0 3 346.515 3.876 20 30 EHEDHN CC1(C#N)CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000330786434 1022685422 /nfs/dbraw/zinc/68/54/22/1022685422.db2.gz VPLJEPQLNHMYJX-UHFFFAOYSA-N 0 3 340.254 3.948 20 30 EHEDHN C=CCN(CC1CCCCC1)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000112215937 1022853462 /nfs/dbraw/zinc/85/34/62/1022853462.db2.gz ACQSRAJPPITHFT-UHFFFAOYSA-N 0 3 333.520 3.805 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](CC(C)C)c2cccs2)CC1 ZINC000518022832 1022937298 /nfs/dbraw/zinc/93/72/98/1022937298.db2.gz HRQKVNHKVSJYRR-MRXNPFEDSA-N 0 3 335.517 3.785 20 30 EHEDHN N#CC(C(=O)c1cccc(C(F)F)c1F)c1nnc2n1CCCCC2 ZINC000528929552 1033106964 /nfs/dbraw/zinc/10/69/64/1033106964.db2.gz SRLMJEKSHPAVAZ-GFCCVEGCSA-N 0 3 348.328 3.571 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2nc3ccccc3[nH]2)c([O-])c1 ZINC000017309344 1023158337 /nfs/dbraw/zinc/15/83/37/1023158337.db2.gz WLIFIUWJTWGAAY-KGENOOAVSA-N 0 3 336.439 3.776 20 30 EHEDHN COc1ccc(CN2CCC(CCF)CC2)cc1OCCCC#N ZINC000602732347 1033121554 /nfs/dbraw/zinc/12/15/54/1033121554.db2.gz HLWQPGXZDHBHPM-UHFFFAOYSA-N 0 3 334.435 3.949 20 30 EHEDHN CC1CCC(OC2CCN(CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000341993497 1023746843 /nfs/dbraw/zinc/74/68/43/1023746843.db2.gz DLLKFXYTIGCLNE-UHFFFAOYSA-N 0 3 342.483 3.997 20 30 EHEDHN N#CCC1(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000602788703 1033162260 /nfs/dbraw/zinc/16/22/60/1033162260.db2.gz SYRLYYPPMKFNCJ-HNNXBMFYSA-N 0 3 340.402 3.749 20 30 EHEDHN [O-]C(=[NH+]C[C@H]1CCc2nccn2C1)N1CCCC2(C1)CCCCCC2 ZINC000329944354 1024261497 /nfs/dbraw/zinc/26/14/97/1024261497.db2.gz IIQRMCJQPJWTBM-QGZVFWFLSA-N 0 3 344.503 3.796 20 30 EHEDHN Cc1nc2ccccc2nc1CNCCSCc1ccccc1C#N ZINC000611560080 1024285731 /nfs/dbraw/zinc/28/57/31/1024285731.db2.gz NLSYDNQMRTUXGQ-UHFFFAOYSA-N 0 3 348.475 3.833 20 30 EHEDHN CC(C)CN(Cc1cc(-c2cnn(C)c2)no1)Cc1ccc(C#N)cc1 ZINC000346178093 1024492455 /nfs/dbraw/zinc/49/24/55/1024492455.db2.gz JJSITQBWMIOHGH-UHFFFAOYSA-N 0 3 349.438 3.605 20 30 EHEDHN C#CCC1(O)CCN(Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000895670557 1024716865 /nfs/dbraw/zinc/71/68/65/1024716865.db2.gz VAPHLQKHDJKYFR-UHFFFAOYSA-N 0 3 335.447 3.712 20 30 EHEDHN CCN(CC)[C@H](C/N=C/c1cc(OC)ccc1O)c1ccsc1 ZINC000075474312 1024719170 /nfs/dbraw/zinc/71/91/70/1024719170.db2.gz LKTIVCZHRQPJJR-HDZGYNCQSA-N 0 3 332.469 3.964 20 30 EHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Oc2cccnc2)cc1 ZINC000342324464 1024891446 /nfs/dbraw/zinc/89/14/46/1024891446.db2.gz PPQXKCPBPOMCOC-OAHLLOKOSA-N 0 3 332.407 3.935 20 30 EHEDHN CCC(C)(C)N1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000594230465 1033251466 /nfs/dbraw/zinc/25/14/66/1033251466.db2.gz PNYQLLPILXOUQH-GOSISDBHSA-N 0 3 342.487 3.547 20 30 EHEDHN C=C(C(=O)N1CC2(CCN2C[C@@H](CC)CCCC)C1)C(F)(F)F ZINC001270008144 1025125989 /nfs/dbraw/zinc/12/59/89/1025125989.db2.gz MKCXTHJGVSADOO-AWEZNQCLSA-N 0 3 332.410 3.608 20 30 EHEDHN CCCCCCCOc1cccc(CN[C@H]2CCCN(C)C2=O)c1 ZINC001203156486 1025149143 /nfs/dbraw/zinc/14/91/43/1025149143.db2.gz ZZACEVHMUWBZJC-IBGZPJMESA-N 0 3 332.488 3.746 20 30 EHEDHN C[C@@H]1C[C@H](CCN[C@H](C(N)=O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000435880042 1025199675 /nfs/dbraw/zinc/19/96/75/1025199675.db2.gz HELTWXIKPKHNQE-HFTRVMKXSA-N 0 3 327.472 3.527 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000178547801 1025561830 /nfs/dbraw/zinc/56/18/30/1025561830.db2.gz HTCABCAEQWORIS-HXUWFJFHSA-N 0 3 348.450 3.825 20 30 EHEDHN Cc1ccc(OC[C@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000425540578 1025687714 /nfs/dbraw/zinc/68/77/14/1025687714.db2.gz OKCIQKDRTQMQRP-YLJYHZDGSA-N 0 3 338.451 3.608 20 30 EHEDHN CC#CCN[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530394365 1025745900 /nfs/dbraw/zinc/74/59/00/1025745900.db2.gz RRGLGRVPLRMYER-QGZVFWFLSA-N 0 3 329.241 3.741 20 30 EHEDHN CC[C@@H]1CCCC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000474907116 1025841899 /nfs/dbraw/zinc/84/18/99/1025841899.db2.gz RXSLEMDDNUIJJS-WOJBJXKFSA-N 0 3 341.499 3.665 20 30 EHEDHN C=C(C)CN(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000521995217 1025866517 /nfs/dbraw/zinc/86/65/17/1025866517.db2.gz VFFHMMFFOWSPGI-IBGZPJMESA-N 0 3 329.488 3.740 20 30 EHEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000443324967 1025917358 /nfs/dbraw/zinc/91/73/58/1025917358.db2.gz ZHZUAPXPMYAGJD-JKIFEVAISA-N 0 3 325.374 3.538 20 30 EHEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCOC23CCCC3)c1 ZINC000934390841 1025954507 /nfs/dbraw/zinc/95/45/07/1025954507.db2.gz KSDKFTSXTSWGEE-OAHLLOKOSA-N 0 3 335.245 3.512 20 30 EHEDHN CCN(Cc1ccc(C#N)cc1F)[C@@H](COC)Cc1ccccc1 ZINC000530627240 1026150676 /nfs/dbraw/zinc/15/06/76/1026150676.db2.gz MLRRVGGNKLHBDE-LJQANCHMSA-N 0 3 326.415 3.777 20 30 EHEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(OC(F)F)cc1 ZINC000342710433 1026800355 /nfs/dbraw/zinc/80/03/55/1026800355.db2.gz RKHIZPHYPXRVAV-LBPRGKRZSA-N 0 3 342.349 3.658 20 30 EHEDHN C=CCCN(C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000342724469 1026858090 /nfs/dbraw/zinc/85/80/90/1026858090.db2.gz CONPADRKLHUIGH-UHFFFAOYSA-N 0 3 340.389 3.704 20 30 EHEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc2ncsc2c1 ZINC000342770125 1026998337 /nfs/dbraw/zinc/99/83/37/1026998337.db2.gz VVRAZBPKUXVYNA-LBPRGKRZSA-N 0 3 333.420 3.666 20 30 EHEDHN C=C(C)[C@@H](CO)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000685004181 1027030675 /nfs/dbraw/zinc/03/06/75/1027030675.db2.gz JCYOQWDBVDBOPU-OAHLLOKOSA-N 0 3 331.353 3.903 20 30 EHEDHN C[C@H](CNCc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000897470593 1027095192 /nfs/dbraw/zinc/09/51/92/1027095192.db2.gz HBRRIKXQRJENEL-SNVBAGLBSA-N 0 3 336.258 3.671 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000501207578 1027137696 /nfs/dbraw/zinc/13/76/96/1027137696.db2.gz HRTWXRFWDOTRFX-HXUWFJFHSA-N 0 3 335.451 3.970 20 30 EHEDHN CCCOc1c(Br)cc(CNCCCC#N)cc1OC ZINC000273058081 1027250060 /nfs/dbraw/zinc/25/00/60/1027250060.db2.gz LUJNUKZCBJTYPL-UHFFFAOYSA-N 0 3 341.249 3.640 20 30 EHEDHN C=CCNC(=O)CNc1ccnc2ccc(Oc3ccccc3)cc21 ZINC000302840873 1027320273 /nfs/dbraw/zinc/32/02/73/1027320273.db2.gz LUSHHBFHSVPLCZ-UHFFFAOYSA-N 0 3 333.391 3.741 20 30 EHEDHN Cc1ccc([C@H](CNc2c(C#N)nnc3ccccc32)N2CCCC2)o1 ZINC000077215013 1027406949 /nfs/dbraw/zinc/40/69/49/1027406949.db2.gz SKSILUPWZJRWNU-SFHVURJKSA-N 0 3 347.422 3.652 20 30 EHEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000342869498 1027780426 /nfs/dbraw/zinc/78/04/26/1027780426.db2.gz ZBXZZFUJNWXGQE-UHFFFAOYSA-N 0 3 345.805 3.811 20 30 EHEDHN C=CCCO[C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000347342517 1027985899 /nfs/dbraw/zinc/98/58/99/1027985899.db2.gz WNQWUCZUXBTZPX-QUCCMNQESA-N 0 3 344.499 3.557 20 30 EHEDHN CN(C)[C@@H](CNc1cc(C#N)ccn1)c1cccc(C(F)(F)F)c1 ZINC000342896313 1027991907 /nfs/dbraw/zinc/99/19/07/1027991907.db2.gz XWGARGXHDBTRJI-HNNXBMFYSA-N 0 3 334.345 3.687 20 30 EHEDHN N#Cc1ccc(NC(=O)CNC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000533511267 1027993877 /nfs/dbraw/zinc/99/38/77/1027993877.db2.gz MTJLDVHBSFAOIJ-UHFFFAOYSA-N 0 3 337.398 3.695 20 30 EHEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)CC1(CO)CC1 ZINC000193127769 1028018669 /nfs/dbraw/zinc/01/86/69/1028018669.db2.gz CXQGFDPRQYXZCO-UHFFFAOYSA-N 0 3 334.463 3.591 20 30 EHEDHN N#Cc1ccccc1CNc1nc2cccc(Br)c2[nH]1 ZINC001167635507 1028180726 /nfs/dbraw/zinc/18/07/26/1028180726.db2.gz NSXAQQGJBARBDI-UHFFFAOYSA-N 0 3 327.185 3.809 20 30 EHEDHN Cn1cccc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544869 1028330700 /nfs/dbraw/zinc/33/07/00/1028330700.db2.gz OTOAFRSYAJMRIE-CQSZACIVSA-N 0 3 332.388 3.510 20 30 EHEDHN Cn1cccc1C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544869 1028330717 /nfs/dbraw/zinc/33/07/17/1028330717.db2.gz OTOAFRSYAJMRIE-CQSZACIVSA-N 0 3 332.388 3.510 20 30 EHEDHN CCN(CCC#N)C(=O)CN1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000523448453 1028343732 /nfs/dbraw/zinc/34/37/32/1028343732.db2.gz YLGNPICEOOJEDD-PXNSSMCTSA-N 0 3 327.472 3.530 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)c(OC(F)F)c1 ZINC000502564601 1028371627 /nfs/dbraw/zinc/37/16/27/1028371627.db2.gz WMCWUMKMZNGQSZ-CHWSQXEVSA-N 0 3 346.324 3.800 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000079941738 1028429470 /nfs/dbraw/zinc/42/94/70/1028429470.db2.gz BMXAAVXUPNJLLX-KBXCAEBGSA-N 0 3 335.879 3.635 20 30 EHEDHN N#CC(C(=O)CCc1ccc2ccccc2c1)C(=O)NC1CCCC1 ZINC000054465935 1028521385 /nfs/dbraw/zinc/52/13/85/1028521385.db2.gz UZSNTKWBVFLGSO-LJQANCHMSA-N 0 3 334.419 3.540 20 30 EHEDHN CC(C)Cc1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1 ZINC000424064424 1028782067 /nfs/dbraw/zinc/78/20/67/1028782067.db2.gz KBDLZNYMLMVHJU-OALUTQOASA-N 0 3 329.488 3.720 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000424091623 1028797412 /nfs/dbraw/zinc/79/74/12/1028797412.db2.gz MZFPZIUYLYTUFB-HOCLYGCPSA-N 0 3 347.871 3.628 20 30 EHEDHN Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424124515 1028819898 /nfs/dbraw/zinc/81/98/98/1028819898.db2.gz MJPAYLXPPVKKGQ-NSHDSACASA-N 0 3 345.390 3.609 20 30 EHEDHN C=CCn1cc(CN[C@@H](C)CCc2ccc(C(F)(F)F)cc2)nn1 ZINC000424290371 1028931119 /nfs/dbraw/zinc/93/11/19/1028931119.db2.gz BNKOWQUFMIXJLK-ZDUSSCGKSA-N 0 3 338.377 3.594 20 30 EHEDHN C[C@@H](N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)(C)C ZINC000532927865 1029052521 /nfs/dbraw/zinc/05/25/21/1029052521.db2.gz UVVKYPJSKHSTHF-CQSZACIVSA-N 0 3 335.879 3.953 20 30 EHEDHN C=CCCc1ccccc1NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000505046585 1029137048 /nfs/dbraw/zinc/13/70/48/1029137048.db2.gz WDDHPWQEDHEZEE-UHFFFAOYSA-N 0 3 327.472 3.967 20 30 EHEDHN Cc1ccccc1CN1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000524582641 1029336518 /nfs/dbraw/zinc/33/65/18/1029336518.db2.gz PYEZDJMRFIICHD-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN CC[C@H](NCc1ccc(-n2ccnc2C)nc1)c1ccc(C#N)cc1 ZINC000278151772 1029359409 /nfs/dbraw/zinc/35/94/09/1029359409.db2.gz AGEJUFIYEADPJW-IBGZPJMESA-N 0 3 331.423 3.688 20 30 EHEDHN CC[C@@H](NCc1ccc(-n2ccnc2C)nc1)c1ccc(C#N)cc1 ZINC000278151775 1029359473 /nfs/dbraw/zinc/35/94/73/1029359473.db2.gz AGEJUFIYEADPJW-LJQANCHMSA-N 0 3 331.423 3.688 20 30 EHEDHN N#Cc1ccc(CNCCOc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000533311882 1029596345 /nfs/dbraw/zinc/59/63/45/1029596345.db2.gz VGCCQLWMBOSHFG-UHFFFAOYSA-N 0 3 338.304 3.885 20 30 EHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000533301975 1029604687 /nfs/dbraw/zinc/60/46/87/1029604687.db2.gz UTUUOSPEPUFVND-LBPRGKRZSA-N 0 3 325.250 3.674 20 30 EHEDHN Cc1cc(C)cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000611767241 1029773450 /nfs/dbraw/zinc/77/34/50/1029773450.db2.gz OCWKCNUZRXDSFH-UHFFFAOYSA-N 0 3 330.435 3.865 20 30 EHEDHN C=CCC[C@H](C)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000273393038 1029819354 /nfs/dbraw/zinc/81/93/54/1029819354.db2.gz LCUOMWAMFMUPGZ-VIFPVBQESA-N 0 3 332.757 3.846 20 30 EHEDHN CC[C@H](CN(CC)CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000481734497 1029893010 /nfs/dbraw/zinc/89/30/10/1029893010.db2.gz KTYWGLGGOCVCMO-GOSISDBHSA-N 0 3 341.499 3.845 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccco1 ZINC000343255294 1029940718 /nfs/dbraw/zinc/94/07/18/1029940718.db2.gz NZXPWSAGJQTRJY-WBMJQRKESA-N 0 3 328.372 3.601 20 30 EHEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OC[C@@H]2CCOC2)c1 ZINC000447586837 1030320276 /nfs/dbraw/zinc/32/02/76/1030320276.db2.gz PBBNZGATOMDPPO-YQVWRLOYSA-N 0 3 328.456 3.582 20 30 EHEDHN C=CCN(C)CCN(CC)Cc1coc(-c2c(F)cccc2F)n1 ZINC000429725635 1030383631 /nfs/dbraw/zinc/38/36/31/1030383631.db2.gz ZBJGSGBPBJWMIN-UHFFFAOYSA-N 0 3 335.398 3.560 20 30 EHEDHN CC(C)CN(Cc1cnn(C)c1)Cc1cccc(OCCCC#N)c1 ZINC000453616878 1030404842 /nfs/dbraw/zinc/40/48/42/1030404842.db2.gz HGMXTSSWLXDHGQ-UHFFFAOYSA-N 0 3 340.471 3.761 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447777351 1030477177 /nfs/dbraw/zinc/47/71/77/1030477177.db2.gz LYLSMGCCBMRNTL-IBGZPJMESA-N 0 3 341.499 3.996 20 30 EHEDHN C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)N(CCC#N)c1ccccc1 ZINC000115556176 1030883388 /nfs/dbraw/zinc/88/33/88/1030883388.db2.gz RFPOVMNHNCVWQF-QUCCMNQESA-N 0 3 347.462 3.811 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000476771697 1030930890 /nfs/dbraw/zinc/93/08/90/1030930890.db2.gz ZLNVDENZLOTQPV-APWZRJJASA-N 0 3 348.450 3.824 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2cc(C)ccc2C)CC1 ZINC000527768031 1031232747 /nfs/dbraw/zinc/23/27/47/1031232747.db2.gz CRECNPNDQBMHLZ-IBGZPJMESA-N 0 3 329.488 3.704 20 30 EHEDHN N#Cc1ccc(C2(NCc3cnc4ccccc4c3)CCOCC2)cc1 ZINC000527811769 1031247905 /nfs/dbraw/zinc/24/79/05/1031247905.db2.gz NBZWCKTXYHFBCJ-UHFFFAOYSA-N 0 3 343.430 3.902 20 30 EHEDHN CC1(C)CN(CCOc2cccc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000484336279 1031540598 /nfs/dbraw/zinc/54/05/98/1031540598.db2.gz GNCQNMWAVLVZAT-HNNXBMFYSA-N 0 3 326.362 3.847 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1c1ccsc1 ZINC000052803453 1031697590 /nfs/dbraw/zinc/69/75/90/1031697590.db2.gz OTFJGNMJOFDSON-CQSZACIVSA-N 0 3 331.466 3.847 20 30 EHEDHN C=C(CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000484640711 1031808877 /nfs/dbraw/zinc/80/88/77/1031808877.db2.gz HINZQNPYPWFFOL-RXVVDRJESA-N 0 3 349.478 3.835 20 30 EHEDHN N#Cc1ccc(OC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000158016056 1033315549 /nfs/dbraw/zinc/31/55/49/1033315549.db2.gz ASQWRJDSFABCLA-KRWDZBQOSA-N 0 3 338.382 3.515 20 30 EHEDHN Cc1sccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000603093183 1033361840 /nfs/dbraw/zinc/36/18/40/1033361840.db2.gz USIZOTCBBAHJHZ-UHFFFAOYSA-N 0 3 342.468 3.524 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000594432542 1033368559 /nfs/dbraw/zinc/36/85/59/1033368559.db2.gz CPSKKXAAPBGGSN-NHCUHLMSSA-N 0 3 349.478 3.540 20 30 EHEDHN CN(C(=O)[C@@H](N)CCCCC#N)C1c2ccccc2-c2ccccc21 ZINC000594436366 1033371799 /nfs/dbraw/zinc/37/17/99/1033371799.db2.gz HHMNSAPHNFUPBD-IBGZPJMESA-N 0 3 333.435 3.626 20 30 EHEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H](N)CCCCC#N ZINC000594433106 1033372284 /nfs/dbraw/zinc/37/22/84/1033372284.db2.gz LRMSPHKDOYNZQP-MOPGFXCFSA-N 0 3 329.488 3.576 20 30 EHEDHN CCCN(CCc1cccs1)Cc1cccc(C(=O)OC)c1C#N ZINC000545216518 1033384088 /nfs/dbraw/zinc/38/40/88/1033384088.db2.gz QUWHRLAEAOZLHQ-UHFFFAOYSA-N 0 3 342.464 3.861 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000594426405 1033389411 /nfs/dbraw/zinc/38/94/11/1033389411.db2.gz CPWXZRGZNSLLOP-LEWJYISDSA-N 0 3 347.462 3.572 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000594468536 1033408916 /nfs/dbraw/zinc/40/89/16/1033408916.db2.gz OFIALSHXUGWZTH-IBGZPJMESA-N 0 3 336.439 3.648 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(-c2ccccc2)cc1F ZINC000598728365 1033418309 /nfs/dbraw/zinc/41/83/09/1033418309.db2.gz QXVYTKSVYYKHRY-GOSISDBHSA-N 0 3 326.415 3.883 20 30 EHEDHN CC[C@H](N)c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603179885 1033421254 /nfs/dbraw/zinc/42/12/54/1033421254.db2.gz NZVPZXSBXIODNZ-IBGZPJMESA-N 0 3 345.450 3.588 20 30 EHEDHN N#CC1(c2ccc(CN[C@@H]3CCCN(c4ccccc4)C3=O)cc2)CC1 ZINC000594924742 1033549855 /nfs/dbraw/zinc/54/98/55/1033549855.db2.gz MVYRUTMJEZQFHS-HXUWFJFHSA-N 0 3 345.446 3.527 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000106338675 1033571778 /nfs/dbraw/zinc/57/17/78/1033571778.db2.gz ICLGITCCXGPSHB-QGZVFWFLSA-N 0 3 343.515 3.692 20 30 EHEDHN N#Cc1cccc(C2(NCc3cc4ccccc4[nH]3)CCOCC2)c1 ZINC000594979012 1033582421 /nfs/dbraw/zinc/58/24/21/1033582421.db2.gz GDBRKLADKXLECF-UHFFFAOYSA-N 0 3 331.419 3.835 20 30 EHEDHN CCOC(=O)c1[nH]c(C)c(CN[C@@H](C)c2cccc(C#N)c2)c1C ZINC000598966444 1033601701 /nfs/dbraw/zinc/60/17/01/1033601701.db2.gz XHKFRRLRAVRRGQ-ZDUSSCGKSA-N 0 3 325.412 3.531 20 30 EHEDHN N#Cc1cccc(C2(NCc3ccc(F)c(F)c3)CCOCC2)c1 ZINC000594984049 1033619269 /nfs/dbraw/zinc/61/92/69/1033619269.db2.gz LOIAYWNGRGBWTH-UHFFFAOYSA-N 0 3 328.362 3.632 20 30 EHEDHN Cc1cc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000453195359 1033673637 /nfs/dbraw/zinc/67/36/37/1033673637.db2.gz JQVPJZGXZQGDCN-KSSFIOAISA-N 0 3 339.464 3.774 20 30 EHEDHN Cc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)cc1C#N ZINC000599393007 1033915250 /nfs/dbraw/zinc/91/52/50/1033915250.db2.gz AVNZXBPLAZAQBV-UHFFFAOYSA-N 0 3 334.467 3.779 20 30 EHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N(CCN(C)C)CC(C)C ZINC000550722038 1033934249 /nfs/dbraw/zinc/93/42/49/1033934249.db2.gz YOSKBBCMGSDBMF-UHFFFAOYSA-N 0 3 343.496 3.741 20 30 EHEDHN Cc1cccc([C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C(C)C)c1 ZINC000599628135 1034051946 /nfs/dbraw/zinc/05/19/46/1034051946.db2.gz PKPLHDQIMDJAGY-POAQFYNOSA-N 0 3 329.488 3.725 20 30 EHEDHN Cc1cc(NC[C@H](c2ccsc2)N(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596077919 1034070756 /nfs/dbraw/zinc/07/07/56/1034070756.db2.gz ZXXXYRSCMPRTBZ-OAHLLOKOSA-N 0 3 330.413 3.551 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2nc(C#N)c(Cl)s2)C1 ZINC000596258098 1034152439 /nfs/dbraw/zinc/15/24/39/1034152439.db2.gz UMNSQQNLTRGRQX-ZDUSSCGKSA-N 0 3 346.887 3.626 20 30 EHEDHN CCc1cc(CCCN2CCC(Oc3cccc(C#N)c3)CC2)on1 ZINC000450358084 1034195951 /nfs/dbraw/zinc/19/59/51/1034195951.db2.gz PVNBSJUSJFXBDI-UHFFFAOYSA-N 0 3 339.439 3.585 20 30 EHEDHN N#Cc1cc(F)c(NCC2CCN(Cc3ccncc3)CC2)c(F)c1 ZINC000596441819 1034244042 /nfs/dbraw/zinc/24/40/42/1034244042.db2.gz RDAPXTOLPOJULJ-UHFFFAOYSA-N 0 3 342.393 3.556 20 30 EHEDHN COc1ccc(CCN(CC(C)C)CC2(C#N)CCC2)cc1OC ZINC000450410901 1034266129 /nfs/dbraw/zinc/26/61/29/1034266129.db2.gz MYHMGUZPJYUASG-UHFFFAOYSA-N 0 3 330.472 3.898 20 30 EHEDHN C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)CC(C)(C)C ZINC000604482228 1034388251 /nfs/dbraw/zinc/38/82/51/1034388251.db2.gz NITOAGMMQXGPSM-KRWDZBQOSA-N 0 3 343.515 3.911 20 30 EHEDHN CCc1ccccc1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278787001 1034612199 /nfs/dbraw/zinc/61/21/99/1034612199.db2.gz ZVCQAGZOIUDOOZ-UHFFFAOYSA-N 0 3 345.450 3.711 20 30 EHEDHN N#CCCCOc1cccc(CNCc2ccc(OCC#N)cc2)c1 ZINC000171769282 1034622872 /nfs/dbraw/zinc/62/28/72/1034622872.db2.gz WFDOGNSIGADLTF-UHFFFAOYSA-N 0 3 335.407 3.561 20 30 EHEDHN CCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000364479937 1034656997 /nfs/dbraw/zinc/65/69/97/1034656997.db2.gz CXDHZNRQMXBLNO-LAUBAEHRSA-N 0 3 347.462 3.856 20 30 EHEDHN C[C@@H](CC#N)C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000597303790 1034668725 /nfs/dbraw/zinc/66/87/25/1034668725.db2.gz KMYICEGDNLAPSM-SFHVURJKSA-N 0 3 339.483 3.583 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC(C)(F)F ZINC000450746020 1034749975 /nfs/dbraw/zinc/74/99/75/1034749975.db2.gz QJCXZSBHINOBBK-UHFFFAOYSA-N 0 3 344.475 3.630 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/C1CCCCC1 ZINC000172078261 1034807433 /nfs/dbraw/zinc/80/74/33/1034807433.db2.gz HEIVJPLRWVVJOT-VAWYXSNFSA-N 0 3 339.483 3.585 20 30 EHEDHN C=CCCCN(C)CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000605738767 1034822814 /nfs/dbraw/zinc/82/28/14/1034822814.db2.gz QROLLGRXBAOVSS-UHFFFAOYSA-N 0 3 340.467 3.705 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000162252323 1035013000 /nfs/dbraw/zinc/01/30/00/1035013000.db2.gz YSUWJIURSAVGLB-OXJNMPFZSA-N 0 3 348.450 3.509 20 30 EHEDHN Cc1cc(Cl)c2ncc(C#N)c(N3CCN(CC4CC4)CC3)c2c1 ZINC000548989806 1035401369 /nfs/dbraw/zinc/40/13/69/1035401369.db2.gz PKPSTYJPUMESMM-UHFFFAOYSA-N 0 3 340.858 3.600 20 30 EHEDHN C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(C#N)cc1 ZINC000066410476 1035448278 /nfs/dbraw/zinc/44/82/78/1035448278.db2.gz BNQUWEKNVVAQJT-INIZCTEOSA-N 0 3 333.435 3.645 20 30 EHEDHN Cc1cccc2c1ncc(C#N)c2N(C)CCCN(C)Cc1ccco1 ZINC000588083408 1035707428 /nfs/dbraw/zinc/70/74/28/1035707428.db2.gz PALQHVJSSPUPKN-UHFFFAOYSA-N 0 3 348.450 3.966 20 30 EHEDHN CN(C(=O)CCCCCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000588629969 1035921554 /nfs/dbraw/zinc/92/15/54/1035921554.db2.gz NHDBLXRGEJTVAE-LJQANCHMSA-N 0 3 327.472 3.583 20 30 EHEDHN C#CCN(C(=O)N[C@@H](CC)c1ccc(Cl)cc1)C1CCN(C)CC1 ZINC000913980766 1036137513 /nfs/dbraw/zinc/13/75/13/1036137513.db2.gz FVLQGZQTHULFHV-SFHVURJKSA-N 0 3 347.890 3.530 20 30 EHEDHN CC[C@@H]1CN(CC(=O)N(CC)C[C@H](C)C#N)CC[C@H]1c1ccccc1 ZINC000470370526 1036284658 /nfs/dbraw/zinc/28/46/58/1036284658.db2.gz ZEPAXZNQJYUXGP-QWFCFKBJSA-N 0 3 341.499 3.510 20 30 EHEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(F)cc1F ZINC000152291487 1036331921 /nfs/dbraw/zinc/33/19/21/1036331921.db2.gz NJTZGAYIJLAKPS-MLGOLLRUSA-N 0 3 348.393 3.616 20 30 EHEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(F)cc1F ZINC000152291578 1036333823 /nfs/dbraw/zinc/33/38/23/1036333823.db2.gz NJTZGAYIJLAKPS-LRDDRELGSA-N 0 3 348.393 3.616 20 30 EHEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl ZINC000026227467 1036400635 /nfs/dbraw/zinc/40/06/35/1036400635.db2.gz PJCNRULANHVIGK-ZDUSSCGKSA-N 0 3 327.815 3.891 20 30 EHEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000535371959 1036406410 /nfs/dbraw/zinc/40/64/10/1036406410.db2.gz MMOUQJZURRGXKU-TZIWHRDSSA-N 0 3 334.463 3.737 20 30 EHEDHN C=C(C)CN(CC)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000170699066 1036694355 /nfs/dbraw/zinc/69/43/55/1036694355.db2.gz BGYIYXUSWPLNFC-UHFFFAOYSA-N 0 3 344.503 3.567 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCC2(C1)CCCCCC2 ZINC000464769772 1036731872 /nfs/dbraw/zinc/73/18/72/1036731872.db2.gz JUARPGSKJALHKM-PKOBYXMFSA-N 0 3 333.520 3.866 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](CSc2ccccc2)C1 ZINC000464758893 1036741766 /nfs/dbraw/zinc/74/17/66/1036741766.db2.gz RSCLBOJVEXSYNG-MSOLQXFVSA-N 0 3 344.524 3.690 20 30 EHEDHN C[C@@H](CN1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cccc(Cl)c1 ZINC000428787230 1036795020 /nfs/dbraw/zinc/79/50/20/1036795020.db2.gz JLFQRTHZVOJYAJ-KSSFIOAISA-N 0 3 341.842 3.863 20 30 EHEDHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000171584865 1036945064 /nfs/dbraw/zinc/94/50/64/1036945064.db2.gz VCGXAYFGAOGTHB-OAHLLOKOSA-N 0 3 343.471 3.683 20 30 EHEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@H](C)C(C)(C)C)cc1 ZINC000045823173 1037420100 /nfs/dbraw/zinc/42/01/00/1037420100.db2.gz OADLMMYGTNVWQK-MRXNPFEDSA-N 0 3 345.487 3.698 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181210615 1037441321 /nfs/dbraw/zinc/44/13/21/1037441321.db2.gz YPDXZMSJGKQOIZ-YLJYHZDGSA-N 0 3 336.435 3.824 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000491582022 1037560845 /nfs/dbraw/zinc/56/08/45/1037560845.db2.gz SLYDVIZIMKJGKQ-RBUKOAKNSA-N 0 3 327.472 3.574 20 30 EHEDHN CC[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000341220719 1037783503 /nfs/dbraw/zinc/78/35/03/1037783503.db2.gz RBNBTGRNKNLJBJ-KRWDZBQOSA-N 0 3 327.815 3.891 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000592069035 1037826525 /nfs/dbraw/zinc/82/65/25/1037826525.db2.gz GWIZWYINCXEIPY-GFCCVEGCSA-N 0 3 341.282 3.864 20 30 EHEDHN CC(C)(Cc1ccc(Br)cc1)NCc1ccncc1C#N ZINC000592080030 1037828725 /nfs/dbraw/zinc/82/87/25/1037828725.db2.gz LANGPLLWNZASOQ-UHFFFAOYSA-N 0 3 344.256 3.827 20 30 EHEDHN COC(=O)c1ccc(-c2ccc(CN3CCC(CC#N)CC3)o2)cc1 ZINC000547524888 1037884370 /nfs/dbraw/zinc/88/43/70/1037884370.db2.gz LPSWAAPDBGWBGM-UHFFFAOYSA-N 0 3 338.407 3.859 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)c(F)c1 ZINC000592166841 1037913688 /nfs/dbraw/zinc/91/36/88/1037913688.db2.gz JLOGLCGIYXYEPP-RTWAWAEBSA-N 0 3 338.426 3.655 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)C1 ZINC000592394034 1037935197 /nfs/dbraw/zinc/93/51/97/1037935197.db2.gz MTTRJGOVARWYTM-XPKDYRNWSA-N 0 3 342.361 3.681 20 30 EHEDHN CN(CCN=Cc1cc2ccccc2[nH]c1=O)Cc1ccc(F)cc1 ZINC000176414411 1038058340 /nfs/dbraw/zinc/05/83/40/1038058340.db2.gz IQNXGHTZYNBLBO-LPYMAVHISA-N 0 3 337.398 3.630 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000540556723 1038094602 /nfs/dbraw/zinc/09/46/02/1038094602.db2.gz MZWSJXFKPZTBKW-HOTGVXAUSA-N 0 3 335.517 3.929 20 30 EHEDHN C(#Cc1ccccc1)CNCc1ccc(COC2CCOCC2)cc1 ZINC000893189177 1038354257 /nfs/dbraw/zinc/35/42/57/1038354257.db2.gz MRTXTOHAIOJHSE-UHFFFAOYSA-N 0 3 335.447 3.524 20 30 EHEDHN C[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(C#N)c1 ZINC000461749833 1038591347 /nfs/dbraw/zinc/59/13/47/1038591347.db2.gz YELIGJSVRSSWFY-UTKZUKDTSA-N 0 3 347.462 3.615 20 30 EHEDHN CCN(Cc1cccc(C#N)c1F)[C@@H](COC)Cc1ccccc1 ZINC000539250049 1038743192 /nfs/dbraw/zinc/74/31/92/1038743192.db2.gz VKSLGHIBRYPVKS-LJQANCHMSA-N 0 3 326.415 3.777 20 30 EHEDHN CC(C)Oc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000539264861 1038756377 /nfs/dbraw/zinc/75/63/77/1038756377.db2.gz FLQDHHVTEINPKZ-YRNRMSPPSA-N 0 3 345.487 3.567 20 30 EHEDHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000485341985 1038943374 /nfs/dbraw/zinc/94/33/74/1038943374.db2.gz BRODIWBEYJDULS-LEWJYISDSA-N 0 3 345.446 3.639 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485410354 1039036554 /nfs/dbraw/zinc/03/65/54/1039036554.db2.gz JCFGTTPIIZFOTM-OXQOHEQNSA-N 0 3 333.435 3.713 20 30 EHEDHN CN(C)[C@@H]1CCOc2c(Nc3ncc(C#N)cc3Cl)cccc21 ZINC000566409119 1039352959 /nfs/dbraw/zinc/35/29/59/1039352959.db2.gz XLFJKXOCSADHPE-OAHLLOKOSA-N 0 3 328.803 3.735 20 30 EHEDHN CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)C ZINC000728917392 1039374677 /nfs/dbraw/zinc/37/46/77/1039374677.db2.gz BRJLNWMSYUIVSY-CQSZACIVSA-N 0 3 329.469 3.841 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccccc1F ZINC000728918443 1039385719 /nfs/dbraw/zinc/38/57/19/1039385719.db2.gz MDSMXVMGKWFQOM-GFCCVEGCSA-N 0 3 339.395 3.748 20 30 EHEDHN CCCN(CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000488791935 1039395817 /nfs/dbraw/zinc/39/58/17/1039395817.db2.gz MCNNXVPJENTSDQ-ZDUSSCGKSA-N 0 3 333.501 3.948 20 30 EHEDHN Cc1[nH]c2ccc(CNCc3cnc4ccc(C#N)cn34)cc2c1C ZINC000343857991 1039396056 /nfs/dbraw/zinc/39/60/56/1039396056.db2.gz WJRTVVXKCYJJAC-UHFFFAOYSA-N 0 3 329.407 3.594 20 30 EHEDHN Cc1ccccc1[C@@H](C(C)C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000488809287 1039411198 /nfs/dbraw/zinc/41/11/98/1039411198.db2.gz XGSMKLMQRVULIH-UXHICEINSA-N 0 3 329.488 3.678 20 30 EHEDHN C=CCC(CC=C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000554707310 1039616830 /nfs/dbraw/zinc/61/68/30/1039616830.db2.gz HNLIKNNINJNOLE-GOSISDBHSA-N 0 3 332.513 3.896 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000912229844 1039757447 /nfs/dbraw/zinc/75/74/47/1039757447.db2.gz OCQDQRCQASIEPO-QGZVFWFLSA-N 0 3 333.476 3.970 20 30 EHEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc(/C=C\C)cc1OC ZINC000489440902 1039962783 /nfs/dbraw/zinc/96/27/83/1039962783.db2.gz QLGIJCMYRCHURJ-LQIFBCGMSA-N 0 3 331.456 3.509 20 30 EHEDHN CN1CC[C@H](NCc2cc(C#N)ccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000573731838 1040209469 /nfs/dbraw/zinc/20/94/69/1040209469.db2.gz CEOHRJOAQHAAHH-RBUKOAKNSA-N 0 3 343.833 3.886 20 30 EHEDHN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1(C)CCCC1 ZINC000489876784 1040215607 /nfs/dbraw/zinc/21/56/07/1040215607.db2.gz VIDZBMXGTDDLHP-UHFFFAOYSA-N 0 3 333.863 3.851 20 30 EHEDHN CCc1ccc([C@@H](C#N)NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000489960929 1040259925 /nfs/dbraw/zinc/25/99/25/1040259925.db2.gz ICFHWEBLEGNKLY-OAQYLSRUSA-N 0 3 347.462 3.839 20 30 EHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCc2sccc2C1 ZINC000512631592 1040332099 /nfs/dbraw/zinc/33/20/99/1040332099.db2.gz RSNNLAXGECSSOM-KBPBESRZSA-N 0 3 343.471 3.856 20 30 EHEDHN CC[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)[C@@H](CC)CN1C(C)=O ZINC000614168906 1040340207 /nfs/dbraw/zinc/34/02/07/1040340207.db2.gz GAWDGJNVLDAUBC-VQTJNVASSA-N 0 3 341.499 3.709 20 30 EHEDHN C=CC[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000490204900 1040387578 /nfs/dbraw/zinc/38/75/78/1040387578.db2.gz RZHCGJIPQDMUFX-YUXAGFNASA-N 0 3 348.490 3.983 20 30 EHEDHN COc1cccc(O[C@H](C)CN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512659339 1040437685 /nfs/dbraw/zinc/43/76/85/1040437685.db2.gz FXKJZCLXKVTMFZ-KGLIPLIRSA-N 0 3 328.387 3.824 20 30 EHEDHN C[C@H](NCC1(CO)CC(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000433083234 1040676521 /nfs/dbraw/zinc/67/65/21/1040676521.db2.gz OHEYABUBKNYOJE-SBGRQLAYSA-N 0 3 338.426 3.904 20 30 EHEDHN CC(C)[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCN1C ZINC000487082086 1040692987 /nfs/dbraw/zinc/69/29/87/1040692987.db2.gz BWZMYFVQYXSMNY-QGZVFWFLSA-N 0 3 328.847 3.536 20 30 EHEDHN N#Cc1cccc(C2(NC[C@@H](O)c3ccc(Cl)c(F)c3)CC2)c1 ZINC000759867400 1041240493 /nfs/dbraw/zinc/24/04/93/1041240493.db2.gz SFNJYLRGTWOTQL-QGZVFWFLSA-N 0 3 330.790 3.663 20 30 EHEDHN CC1(C)C[C@H](c2ccccc2)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000576279555 1041416486 /nfs/dbraw/zinc/41/64/86/1041416486.db2.gz BJMFGGIGKZBSCD-GOSISDBHSA-N 0 3 331.423 3.574 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnnn1-c1c(C)cccc1C ZINC000661118361 1041952153 /nfs/dbraw/zinc/95/21/53/1041952153.db2.gz ZKMFKXWYRROZNE-IAGOWNOFSA-N 0 3 325.460 3.504 20 30 EHEDHN C=CCN(Cc1ccc(OCc2ccccn2)cc1)[C@@H](C)COC ZINC000661241689 1042023802 /nfs/dbraw/zinc/02/38/02/1042023802.db2.gz AJUYEMUODNXCAZ-KRWDZBQOSA-N 0 3 326.440 3.684 20 30 EHEDHN C=C[C@@H](CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1 ZINC000662885139 1042188031 /nfs/dbraw/zinc/18/80/31/1042188031.db2.gz RKEJKKQDHWMQLY-JXFKEZNVSA-N 0 3 336.435 3.646 20 30 EHEDHN CC(C)(N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccs1 ZINC000541643758 1042352053 /nfs/dbraw/zinc/35/20/53/1042352053.db2.gz DYADQIGNWSYBFK-MRXNPFEDSA-N 0 3 339.464 3.640 20 30 EHEDHN C#CCCCCCCN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001167803685 1042793255 /nfs/dbraw/zinc/79/32/55/1042793255.db2.gz DCQVMOLHHXUITK-QGZVFWFLSA-N 0 3 340.389 3.579 20 30 EHEDHN C=CCN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)cc1 ZINC000603936232 1042858957 /nfs/dbraw/zinc/85/89/57/1042858957.db2.gz HCMPFGVYFQPECO-UHFFFAOYSA-N 0 3 342.395 3.670 20 30 EHEDHN CC[C@H](NCc1cccc(OCCCC#N)c1)c1c(C)nn(C)c1C ZINC000344759676 1044390195 /nfs/dbraw/zinc/39/01/95/1044390195.db2.gz MGBUHTBUTLWKKZ-IBGZPJMESA-N 0 3 340.471 3.960 20 30 EHEDHN N#CC(C(=O)c1cc(Br)cs1)c1nc2ccccc2[nH]1 ZINC000194585533 1127462698 /nfs/dbraw/zinc/46/26/98/1127462698.db2.gz XHDPIZGVYISKMA-VIFPVBQESA-N 0 3 346.209 3.877 20 30 EHEDHN C[C@@H](c1cccc2ccccc21)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000139731567 1127537221 /nfs/dbraw/zinc/53/72/21/1127537221.db2.gz XOILNJPJYUQSAN-KRWDZBQOSA-N 0 3 342.446 3.990 20 30 EHEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000338625665 1127927421 /nfs/dbraw/zinc/92/74/21/1127927421.db2.gz JLURXPIDBNTITJ-AWEZNQCLSA-N 0 3 335.388 3.745 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)C1(C#N)CCCCC1)c1ccsc1 ZINC000057431209 1128049148 /nfs/dbraw/zinc/04/91/48/1128049148.db2.gz RFWYCFOBQRODFV-INIZCTEOSA-N 0 3 333.501 3.721 20 30 EHEDHN Cc1ccc(CN(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000054425543 1128475179 /nfs/dbraw/zinc/47/51/79/1128475179.db2.gz YGTAQZRCAFKCRP-UHFFFAOYSA-N 0 3 331.803 3.574 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc(C#N)cc1Cl ZINC000302184085 1128624637 /nfs/dbraw/zinc/62/46/37/1128624637.db2.gz SGIFSELYVKKBCE-DYVFJYSZSA-N 0 3 326.831 3.539 20 30 EHEDHN N#Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000302207558 1128625883 /nfs/dbraw/zinc/62/58/83/1128625883.db2.gz KXQJIMYNCRCMKV-INIZCTEOSA-N 0 3 342.424 3.777 20 30 EHEDHN C[C@H]1CCN(c2c(C#N)cccc2C#N)CCN1Cc1ccccc1 ZINC000302905865 1128654594 /nfs/dbraw/zinc/65/45/94/1128654594.db2.gz WFNATCKCRHNPPA-KRWDZBQOSA-N 0 3 330.435 3.531 20 30 EHEDHN CN(CCOc1cccc(Cl)c1)CCOc1ccccc1C#N ZINC000108721506 1128660801 /nfs/dbraw/zinc/66/08/01/1128660801.db2.gz XNGFFHODIBEMFJ-UHFFFAOYSA-N 0 3 330.815 3.601 20 30 EHEDHN N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000765928663 1128759861 /nfs/dbraw/zinc/75/98/61/1128759861.db2.gz YQENPUSEJCOHEM-FHLIZLRMSA-N 0 3 347.890 3.682 20 30 EHEDHN CCC(CC)(CCO)CNCc1cc(C#N)ccc1Br ZINC000921808350 1128780273 /nfs/dbraw/zinc/78/02/73/1128780273.db2.gz XWKJXDRLHIECNL-UHFFFAOYSA-N 0 3 339.277 3.599 20 30 EHEDHN N#C[C@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000494446810 1120560576 /nfs/dbraw/zinc/56/05/76/1120560576.db2.gz PCNAQXSGDAFCAT-GXFFZTMASA-N 0 3 327.306 3.786 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000921932881 1128937148 /nfs/dbraw/zinc/93/71/48/1128937148.db2.gz SLWQJIQLRBOQAL-IQMFZBJNSA-N 0 3 326.465 3.763 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1coc2ccccc21 ZINC000113028423 1128969395 /nfs/dbraw/zinc/96/93/95/1128969395.db2.gz ZVJYSQCYFYEIBN-UHFFFAOYSA-N 0 3 347.418 3.508 20 30 EHEDHN COCc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000193413284 1121250190 /nfs/dbraw/zinc/25/01/90/1121250190.db2.gz IYCGYERVWXSWPA-UHFFFAOYSA-N 0 3 335.451 3.781 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000171706718 1121461180 /nfs/dbraw/zinc/46/11/80/1121461180.db2.gz WWWKUXLXKBVZAB-KRWDZBQOSA-N 0 3 335.879 3.741 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000171734672 1121651237 /nfs/dbraw/zinc/65/12/37/1121651237.db2.gz ICGVKPHUKMWHLD-IBGZPJMESA-N 0 3 345.462 3.617 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2CC2(C#N)CCC2)C1 ZINC000497036724 1122252631 /nfs/dbraw/zinc/25/26/31/1122252631.db2.gz IEHCXZQEXXHBID-IRXDYDNUSA-N 0 3 347.503 3.792 20 30 EHEDHN CCC(=O)N[C@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000130481807 1122368098 /nfs/dbraw/zinc/36/80/98/1122368098.db2.gz NDHKRMIPYPYWFT-FQEVSTJZSA-N 0 3 347.462 3.716 20 30 EHEDHN CC(C)CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917096975 1122497550 /nfs/dbraw/zinc/49/75/50/1122497550.db2.gz OCFOKAKYCHJVFY-CQSZACIVSA-N 0 3 327.453 3.593 20 30 EHEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(Oc3ccccc3)cc2)C1=O ZINC000499598656 1129064083 /nfs/dbraw/zinc/06/40/83/1129064083.db2.gz AHFQXZMPCQCCHN-JXFKEZNVSA-N 0 3 336.435 3.916 20 30 EHEDHN CCCCCCCOc1ccc(CN[C@@H]2CCCCNC2=O)cc1 ZINC000917394653 1122590789 /nfs/dbraw/zinc/59/07/89/1122590789.db2.gz MAQSPJHIGPYVGS-LJQANCHMSA-N 0 3 332.488 3.794 20 30 EHEDHN Cc1occc1CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000919803370 1123153330 /nfs/dbraw/zinc/15/33/30/1123153330.db2.gz MALAEYBRGDIUFD-AWEZNQCLSA-N 0 3 339.420 3.506 20 30 EHEDHN CCO[C@H](CC)C(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000920110623 1123294536 /nfs/dbraw/zinc/29/45/36/1123294536.db2.gz FEZUEVFWHHWTHY-KBRIMQKVSA-N 0 3 330.428 3.663 20 30 EHEDHN C=C(C)COCCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000134508483 1123528119 /nfs/dbraw/zinc/52/81/19/1123528119.db2.gz BZTXWQQFBRDDMW-UHFFFAOYSA-N 0 3 346.383 3.546 20 30 EHEDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000609385113 1123567834 /nfs/dbraw/zinc/56/78/34/1123567834.db2.gz PEOXAHXZEFMGCD-HUUCEWRRSA-N 0 3 333.501 3.853 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)NCc1ccccc1)c1ccc(Cl)s1 ZINC000175101823 1123593735 /nfs/dbraw/zinc/59/37/35/1123593735.db2.gz FACMWABPTMMEFV-WCQYABFASA-N 0 3 346.839 3.530 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1)c1ccc(Cl)s1 ZINC000175107056 1123601730 /nfs/dbraw/zinc/60/17/30/1123601730.db2.gz INSLOPGKFSNTCO-JQWIXIFHSA-N 0 3 332.812 3.853 20 30 EHEDHN C=CCNC(=O)[C@H](C)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000616022506 1123926378 /nfs/dbraw/zinc/92/63/78/1123926378.db2.gz IFWPESBSJPFNIA-KXBFYZLASA-N 0 3 342.870 3.904 20 30 EHEDHN C#CCOc1ccccc1CNC[C@H](O)c1ccc2ccccc2c1 ZINC000238054842 1123961126 /nfs/dbraw/zinc/96/11/26/1123961126.db2.gz CACYBWFGZJNPDE-NRFANRHFSA-N 0 3 331.415 3.675 20 30 EHEDHN COC(=O)c1cccc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)c1C#N ZINC000617227636 1124462343 /nfs/dbraw/zinc/46/23/43/1124462343.db2.gz FYYOTGSWWPJEHX-UTKZUKDTSA-N 0 3 348.446 3.846 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CNC1(c2cccc(Cl)c2)CCCC1 ZINC000181458636 1124852624 /nfs/dbraw/zinc/85/26/24/1124852624.db2.gz SBDJVVMGDWMRAX-SFHVURJKSA-N 0 3 347.890 3.753 20 30 EHEDHN C[C@@H](NCc1cccc(Cn2cccn2)c1)c1ccc(OCC#N)cc1 ZINC000181547853 1124929495 /nfs/dbraw/zinc/92/94/95/1124929495.db2.gz IEPZYIRFMYETPP-QGZVFWFLSA-N 0 3 346.434 3.685 20 30 EHEDHN Cc1cc(CN[C@@H](Cc2nccn2C)c2ccccc2)ccc1C#N ZINC000618194425 1125017694 /nfs/dbraw/zinc/01/76/94/1125017694.db2.gz KBRLYLAHWUYORB-FQEVSTJZSA-N 0 3 330.435 3.674 20 30 EHEDHN CC(C)(C#N)c1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000618312207 1125044260 /nfs/dbraw/zinc/04/42/60/1125044260.db2.gz LIZQRNXJQVROGN-HOCLYGCPSA-N 0 3 340.389 3.623 20 30 EHEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182054319 1125140438 /nfs/dbraw/zinc/14/04/38/1125140438.db2.gz HPCSPEVCMKKDSO-OAHLLOKOSA-N 0 3 336.826 3.623 20 30 EHEDHN COc1cc2c(cc1OC)[C@H](N[C@@H]1CCc3cc(C#N)ccc31)CC2 ZINC000619465990 1125350358 /nfs/dbraw/zinc/35/03/58/1125350358.db2.gz WUUPHUTYQRXIFX-RTBURBONSA-N 0 3 334.419 3.840 20 30 EHEDHN N#CCC1(CN[C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000619535337 1125362467 /nfs/dbraw/zinc/36/24/67/1125362467.db2.gz RDNGMNAIPHZZRI-HOTGVXAUSA-N 0 3 349.272 3.953 20 30 EHEDHN C=CCOc1ccc(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)cc1 ZINC000673291130 1129271565 /nfs/dbraw/zinc/27/15/65/1129271565.db2.gz HLUSJYCGLPJOFL-MAUKXSAKSA-N 0 3 342.439 3.704 20 30 EHEDHN C=CCN1CCC(NC(=O)CSc2ccc(C(C)(C)C)cc2)CC1 ZINC000171720879 1130083032 /nfs/dbraw/zinc/08/30/32/1130083032.db2.gz QIPNPJLBTBPVDR-UHFFFAOYSA-N 0 3 346.540 3.843 20 30 EHEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000245450250 1130209487 /nfs/dbraw/zinc/20/94/87/1130209487.db2.gz OKXKOAZYEOXNNM-IIYDPXPESA-N 0 3 331.847 3.803 20 30 EHEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000729941851 1130657893 /nfs/dbraw/zinc/65/78/93/1130657893.db2.gz DYTROIBOUTYVHR-UHFFFAOYSA-N 0 3 348.903 3.539 20 30 EHEDHN CC(N=Nc1ccc(F)cn1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000731321573 1130785672 /nfs/dbraw/zinc/78/56/72/1130785672.db2.gz KWJLVCACDCSRBX-UHFFFAOYSA-N 0 3 342.418 3.748 20 30 EHEDHN C=CCOCCCN(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000347969116 1131110151 /nfs/dbraw/zinc/11/01/51/1131110151.db2.gz TXHGNBLOYMIXRY-UHFFFAOYSA-N 0 3 327.472 3.822 20 30 EHEDHN COc1cc(CN[C@H](CN(C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000282614812 1131113404 /nfs/dbraw/zinc/11/34/04/1131113404.db2.gz FCYGVJXUTBDPSV-GOSISDBHSA-N 0 3 343.858 3.613 20 30 EHEDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000734001904 1131181549 /nfs/dbraw/zinc/18/15/49/1131181549.db2.gz HXWWXARWWOSAGX-LJQANCHMSA-N 0 3 349.450 3.726 20 30 EHEDHN N#Cc1ccccc1COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741328567 1131596143 /nfs/dbraw/zinc/59/61/43/1131596143.db2.gz IHICSNQANOMETL-UHFFFAOYSA-N 0 3 334.419 3.514 20 30 EHEDHN CC(C)OC(=O)CC[C@@H](C)N1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001172771978 1131842025 /nfs/dbraw/zinc/84/20/25/1131842025.db2.gz ARNOJKAVDVMLMY-SJLPKXTDSA-N 0 3 344.455 3.522 20 30 EHEDHN Cc1cc(C(C#N)C(=O)C=Cc2cnc(C(C)(C)C)s2)nc(C)n1 ZINC000744025692 1132005554 /nfs/dbraw/zinc/00/55/54/1132005554.db2.gz GQKADQSIRYZJLC-AFNCTOJWSA-N 0 3 340.452 3.737 20 30 EHEDHN CC[C@]1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744421252 1132086467 /nfs/dbraw/zinc/08/64/67/1132086467.db2.gz YPKGHJBTIWPICF-AUUYWEPGSA-N 0 3 341.480 3.985 20 30 EHEDHN CN(C)Cc1ccccc1Nc1c(C#N)cnn1-c1ccc(F)cc1 ZINC001173929755 1132187959 /nfs/dbraw/zinc/18/79/59/1132187959.db2.gz WLVSLDXFIUYMEG-UHFFFAOYSA-N 0 3 335.386 3.688 20 30 EHEDHN CC(=O)Nc1ccc(NC2=CCCN(Cc3ccccc3)C2)cc1C#N ZINC001174395958 1132331438 /nfs/dbraw/zinc/33/14/38/1132331438.db2.gz AVMMSPASHAMEDL-UHFFFAOYSA-N 0 3 346.434 3.718 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CCCC1 ZINC000746387177 1132506279 /nfs/dbraw/zinc/50/62/79/1132506279.db2.gz GWJAXYIMEXUVAA-CQSZACIVSA-N 0 3 327.453 3.595 20 30 EHEDHN CCN1CCN(c2ccc(Nc3sc(C)cc3C#N)cc2)CC1 ZINC001175779808 1132763790 /nfs/dbraw/zinc/76/37/90/1132763790.db2.gz XQBBEYFZQLBDMS-UHFFFAOYSA-N 0 3 326.469 3.814 20 30 EHEDHN CCOC(=O)[C@@]1(C(C)C)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001169772137 1132853517 /nfs/dbraw/zinc/85/35/17/1132853517.db2.gz SRQSZILXSGNLAY-IBGZPJMESA-N 0 3 333.859 3.603 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)nc1Cl ZINC000766838290 1132864265 /nfs/dbraw/zinc/86/42/65/1132864265.db2.gz YJZBUEILPKCDKK-LBPRGKRZSA-N 0 3 337.766 3.782 20 30 EHEDHN C#CCN(C[C@@H]1CCC2(CCOCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176453407 1132937569 /nfs/dbraw/zinc/93/75/69/1132937569.db2.gz TXUQMRQPQJQJSD-PZJWPPBQSA-N 0 3 339.479 3.727 20 30 EHEDHN C=CCOc1cccc(CNCc2ccccc2Cn2cccn2)c1 ZINC001177153814 1133035192 /nfs/dbraw/zinc/03/51/92/1133035192.db2.gz YRMVGZNREMOXKF-UHFFFAOYSA-N 0 3 333.435 3.786 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cccc(OCC)c1O ZINC000768938369 1133206915 /nfs/dbraw/zinc/20/69/15/1133206915.db2.gz YUPXMFSHGPMJLW-UHFFFAOYSA-N 0 3 327.424 3.988 20 30 EHEDHN COc1ccc(CNCc2ccnc(-c3ccccc3)c2)cc1C#N ZINC001179298808 1133240651 /nfs/dbraw/zinc/24/06/51/1133240651.db2.gz GFFJMKQSGZMJLC-UHFFFAOYSA-N 0 3 329.403 3.919 20 30 EHEDHN C#CC1(NCc2ccc(OCC(F)(F)F)c(OC)c2)CCCC1 ZINC001179437270 1133250878 /nfs/dbraw/zinc/25/08/78/1133250878.db2.gz DCCDNXHQDKWFLU-UHFFFAOYSA-N 0 3 327.346 3.672 20 30 EHEDHN C=CCOc1ccc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000769401895 1133277216 /nfs/dbraw/zinc/27/72/16/1133277216.db2.gz RSWCFFNKTDLBQN-HNNXBMFYSA-N 0 3 334.460 3.596 20 30 EHEDHN C=C(Br)CN[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000769920068 1133359465 /nfs/dbraw/zinc/35/94/65/1133359465.db2.gz LYCLSBDCLGLFBZ-CYBMUJFWSA-N 0 3 347.297 3.568 20 30 EHEDHN CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000771512136 1133567976 /nfs/dbraw/zinc/56/79/76/1133567976.db2.gz XYXKAPHGAYQUSQ-WDSOQIARSA-N 0 3 347.503 3.765 20 30 EHEDHN CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000771512130 1133568015 /nfs/dbraw/zinc/56/80/15/1133568015.db2.gz XYXKAPHGAYQUSQ-NEWSRXKRSA-N 0 3 347.503 3.765 20 30 EHEDHN CC(C)(C)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533677 1133862812 /nfs/dbraw/zinc/86/28/12/1133862812.db2.gz HHXSEHAZVLAGLM-OAHLLOKOSA-N 0 3 334.847 3.881 20 30 EHEDHN C=CC[C@@H](N[C@@H](C)c1ccc(N2CCNC2=O)cc1)c1ccncc1 ZINC000786830147 1133906030 /nfs/dbraw/zinc/90/60/30/1133906030.db2.gz PMVDRJIXJHAOBS-HNAYVOBHSA-N 0 3 336.439 3.579 20 30 EHEDHN C[C@@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CCCCC1 ZINC000787074485 1133946408 /nfs/dbraw/zinc/94/64/08/1133946408.db2.gz VPFVPGPXYIXBEM-QFBILLFUSA-N 0 3 340.467 3.960 20 30 EHEDHN C#Cc1ccc(CN[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000787771829 1134039117 /nfs/dbraw/zinc/03/91/17/1134039117.db2.gz FOOSGYIYHCKQQG-SFHVURJKSA-N 0 3 338.838 3.607 20 30 EHEDHN Cc1cc(CN2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774877537 1134084171 /nfs/dbraw/zinc/08/41/71/1134084171.db2.gz KGXAQAHHFQVMEG-QGZVFWFLSA-N 0 3 343.471 3.556 20 30 EHEDHN C[C@@H]1C[C@H](C)[C@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000789449613 1134276169 /nfs/dbraw/zinc/27/61/69/1134276169.db2.gz IAIANINAKPHHBJ-QPSCCSFWSA-N 0 3 341.480 3.839 20 30 EHEDHN CCCCC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000775320115 1134625581 /nfs/dbraw/zinc/62/55/81/1134625581.db2.gz MUQKTQKLWXYPPR-ICSRJNTNSA-N 0 3 329.488 3.952 20 30 EHEDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCC#Cc1ccccc1 ZINC000792247880 1134671267 /nfs/dbraw/zinc/67/12/67/1134671267.db2.gz HMYQQCDEMCXGSU-HXUWFJFHSA-N 0 3 330.472 3.567 20 30 EHEDHN Cc1cccn2c(CNC3CCC(C#N)(c4ccccc4)CC3)nnc12 ZINC001170355903 1134753910 /nfs/dbraw/zinc/75/39/10/1134753910.db2.gz SQPKQHODUUUXPE-UHFFFAOYSA-N 0 3 345.450 3.532 20 30 EHEDHN CC[C@]1(C)CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001191212574 1134817944 /nfs/dbraw/zinc/81/79/44/1134817944.db2.gz AWJAGCSDEGRMBS-VXLIZBOYSA-N 0 3 333.520 3.818 20 30 EHEDHN O=C(Nc1ccc2sccc2c1)N1CCC2SC(=O)C=C2C1 ZINC001192432996 1135013481 /nfs/dbraw/zinc/01/34/81/1135013481.db2.gz ZNILVDFVCHXNSL-CQSZACIVSA-N 0 3 330.434 3.707 20 30 EHEDHN C=CCCN1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001195104006 1135361195 /nfs/dbraw/zinc/36/11/95/1135361195.db2.gz NLHHPZNJWKOXGW-DLBZAZTESA-N 0 3 334.435 3.694 20 30 EHEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001195946163 1135498134 /nfs/dbraw/zinc/49/81/34/1135498134.db2.gz IASCTAWKFDAHIX-NNVNDSJASA-N 0 3 331.504 3.594 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)C[C@@H]2CC2(C)C)c1 ZINC001196460036 1135569839 /nfs/dbraw/zinc/56/98/39/1135569839.db2.gz WHFLBDHYGNIWBK-MSOLQXFVSA-N 0 3 341.499 3.917 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2C(C)C)cc1C ZINC000747528565 1135740435 /nfs/dbraw/zinc/74/04/35/1135740435.db2.gz MJYHHOKHZMXJBD-LJQANCHMSA-N 0 3 327.472 3.671 20 30 EHEDHN N#C[C@H]1CC[C@@H](COC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000809087615 1135776100 /nfs/dbraw/zinc/77/61/00/1135776100.db2.gz JSSLRADFWAQFOU-CALCHBBNSA-N 0 3 326.440 3.769 20 30 EHEDHN COc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)ccc1C#N ZINC000810251095 1135948311 /nfs/dbraw/zinc/94/83/11/1135948311.db2.gz OUJGTECFYUSDGR-ABAIWWIYSA-N 0 3 326.371 3.750 20 30 EHEDHN O=C(Nc1c(Cl)cccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001202094872 1136093901 /nfs/dbraw/zinc/09/39/01/1136093901.db2.gz PBTPLCINAFHCKT-LLVKDONJSA-N 0 3 343.235 3.799 20 30 EHEDHN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC2SC(=O)C=C2C1 ZINC001202257537 1136115150 /nfs/dbraw/zinc/11/51/50/1136115150.db2.gz PSWXWYIJJUQEFH-GFCCVEGCSA-N 0 3 343.235 3.799 20 30 EHEDHN COc1ccc(C(C)=NOCCOC(C)C)cc1CN1CCCCC1 ZINC000812239312 1136188050 /nfs/dbraw/zinc/18/80/50/1136188050.db2.gz QOWSXRVXWPTILL-UHFFFAOYSA-N 0 3 348.487 3.847 20 30 EHEDHN C=CCCSCC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000850354406 1136240087 /nfs/dbraw/zinc/24/00/87/1136240087.db2.gz GOQUTIYTZRDJPN-UHFFFAOYSA-N 0 3 346.290 3.562 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)[C@H](C)COC)cc1 ZINC000813059893 1136283603 /nfs/dbraw/zinc/28/36/03/1136283603.db2.gz KMPIZSSEVSTZCZ-JTOWHCCKSA-N 0 3 344.455 3.766 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)C2CC3(C2)CCCCC3)c1 ZINC000850757579 1136300566 /nfs/dbraw/zinc/30/05/66/1136300566.db2.gz MWOBOCOQEJJFGH-KRWDZBQOSA-N 0 3 340.423 3.703 20 30 EHEDHN CCCCCCCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850764889 1136301736 /nfs/dbraw/zinc/30/17/36/1136301736.db2.gz HBXLKNPZVDVART-SFHVURJKSA-N 0 3 333.476 3.830 20 30 EHEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(N2CCCOC2=O)cc1 ZINC000814305035 1136438485 /nfs/dbraw/zinc/43/84/85/1136438485.db2.gz WDAQKEBTBFUUIB-CYBMUJFWSA-N 0 3 341.436 3.817 20 30 EHEDHN Cn1nc(Br)cc1CN[C@H](CCCC#N)c1ccccc1 ZINC000814304376 1136438804 /nfs/dbraw/zinc/43/88/04/1136438804.db2.gz KYMMPEXPFCSEBZ-OAHLLOKOSA-N 0 3 347.260 3.707 20 30 EHEDHN C#CCN(C(=O)c1csc(C2CCCCC2)c1)C1CCN(C)CC1 ZINC001134266062 1136439921 /nfs/dbraw/zinc/43/99/21/1136439921.db2.gz MMIVQFCBPOLCFG-UHFFFAOYSA-N 0 3 344.524 3.965 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000814660906 1136486995 /nfs/dbraw/zinc/48/69/95/1136486995.db2.gz UHIMJKBGZVFSNF-OAHLLOKOSA-N 0 3 342.830 3.698 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2cscn2)cc1 ZINC000853097517 1136509257 /nfs/dbraw/zinc/50/92/57/1136509257.db2.gz BRGJMIZNLZOKHU-MLGOLLRUSA-N 0 3 341.436 3.547 20 30 EHEDHN Cc1cccc(C2(O)CCN(Cc3ccc(C#N)cc3C)CC2)c1C ZINC000776794383 1136665280 /nfs/dbraw/zinc/66/52/80/1136665280.db2.gz DDJSSIUJJRDQMQ-UHFFFAOYSA-N 0 3 334.463 3.967 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(-n3ccnc3C)c(F)c2)cc1 ZINC000113327999 1136697332 /nfs/dbraw/zinc/69/73/32/1136697332.db2.gz ZOLCOWFEQMTVKF-UHFFFAOYSA-N 0 3 349.409 3.622 20 30 EHEDHN C[C@@H]1[C@@H](OC(=O)c2cccc(CC#N)c2)CCCN1Cc1ccccc1 ZINC000816468983 1136719945 /nfs/dbraw/zinc/71/99/45/1136719945.db2.gz QGEMPVQXKXSBQB-UTKZUKDTSA-N 0 3 348.446 3.963 20 30 EHEDHN CCc1ccc(C#CC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC001135717827 1136759176 /nfs/dbraw/zinc/75/91/76/1136759176.db2.gz DJQZNZYTMKGXEJ-JOCHJYFZSA-N 0 3 346.474 3.554 20 30 EHEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@@H](O)c1c(F)cccc1F ZINC000817408864 1136805774 /nfs/dbraw/zinc/80/57/74/1136805774.db2.gz RAOJQHWHVHOOGH-FUHWJXTLSA-N 0 3 334.341 3.577 20 30 EHEDHN N#CCCC[C@@H](NCCS(=O)(=O)C1CCCCC1)c1ccccc1 ZINC000856744423 1136806663 /nfs/dbraw/zinc/80/66/63/1136806663.db2.gz QHGXFPUTOYONNQ-LJQANCHMSA-N 0 3 348.512 3.759 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000857235574 1136856223 /nfs/dbraw/zinc/85/62/23/1136856223.db2.gz AMEUJCPLQFLUNZ-GXFFZTMASA-N 0 3 343.254 3.707 20 30 EHEDHN C#CCCOc1ccc(CN[C@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858343057 1136959934 /nfs/dbraw/zinc/95/99/34/1136959934.db2.gz WYJBUOUPNZJNSY-NRFANRHFSA-N 0 3 336.435 3.733 20 30 EHEDHN COc1ccc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)C2CC2)cn1 ZINC000858342323 1136959976 /nfs/dbraw/zinc/95/99/76/1136959976.db2.gz MVXPXFAIBOPWSP-JLTOFOAXSA-N 0 3 337.423 3.622 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860470744 1137061967 /nfs/dbraw/zinc/06/19/67/1137061967.db2.gz UYEQUXJDHHCVMD-ZHALLVOQSA-N 0 3 332.403 3.918 20 30 EHEDHN C[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(OCC#N)cc1 ZINC000777235329 1137135273 /nfs/dbraw/zinc/13/52/73/1137135273.db2.gz PJDBKWDVRIIBMN-CQSZACIVSA-N 0 3 336.391 3.658 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000824690583 1137148541 /nfs/dbraw/zinc/14/85/41/1137148541.db2.gz HIGQTZDDXRJAAZ-AUUYWEPGSA-N 0 3 344.842 3.796 20 30 EHEDHN C#CC[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccn1 ZINC000805874683 1137150992 /nfs/dbraw/zinc/15/09/92/1137150992.db2.gz LDIXSAUWPBHVSE-OAQYLSRUSA-N 0 3 348.446 3.601 20 30 EHEDHN Cc1ccc(C(F)(F)F)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001143672730 1137188325 /nfs/dbraw/zinc/18/83/25/1137188325.db2.gz OMHATLFVCNRTID-CQSZACIVSA-N 0 3 327.371 3.788 20 30 EHEDHN C#Cc1ccc(CN2CC[C@H](C(=O)OC)C[C@H]2c2ccccc2)cc1 ZINC001144578730 1137310882 /nfs/dbraw/zinc/31/08/82/1137310882.db2.gz KXPNHRHBSILWRT-SFTDATJTSA-N 0 3 333.431 3.794 20 30 EHEDHN COc1ccc(N2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)c(C)c1 ZINC001171232758 1137356234 /nfs/dbraw/zinc/35/62/34/1137356234.db2.gz WCOHWBMNDMBMCU-GOSISDBHSA-N 0 3 349.478 3.629 20 30 EHEDHN COCc1cc([C@@H](C)NCc2ccc(OC)c(C#N)c2)ccc1OC ZINC000773082274 1137464158 /nfs/dbraw/zinc/46/41/58/1137464158.db2.gz HGSWVSSJOGCXTD-CQSZACIVSA-N 0 3 340.423 3.573 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](CO)CC(F)(F)F)cc1 ZINC000773106820 1137465972 /nfs/dbraw/zinc/46/59/72/1137465972.db2.gz LYCRDJMMOAHGGB-WCQYABFASA-N 0 3 337.769 3.782 20 30 EHEDHN COc1ccc(N2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC001172313212 1137546260 /nfs/dbraw/zinc/54/62/60/1137546260.db2.gz RSUAVCZPGIYADL-GOSISDBHSA-N 0 3 349.478 3.629 20 30 EHEDHN CN(CCC#N)c1ccc(CNCc2ccccc2OC(F)F)cc1 ZINC000123967238 1137575037 /nfs/dbraw/zinc/57/50/37/1137575037.db2.gz HCHXMXFBNWCDRY-UHFFFAOYSA-N 0 3 345.393 3.928 20 30 EHEDHN C#CCOc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000124604927 1137605837 /nfs/dbraw/zinc/60/58/37/1137605837.db2.gz TVGLWSJPXHZFAN-QFIPXVFZSA-N 0 3 335.447 3.644 20 30 EHEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1-c1ccccc1C#N ZINC000874849425 1137624833 /nfs/dbraw/zinc/62/48/33/1137624833.db2.gz XYXIJCCVQAMNDP-SFTDATJTSA-N 0 3 345.446 3.534 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000876968701 1137666547 /nfs/dbraw/zinc/66/65/47/1137666547.db2.gz SHINPJJKRVCNDJ-AEFFLSMTSA-N 0 3 341.842 3.864 20 30 EHEDHN C[C@@H](CCC#N)C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000877033798 1137668251 /nfs/dbraw/zinc/66/82/51/1137668251.db2.gz NXQGARPJMYHBND-YOEHRIQHSA-N 0 3 335.879 3.539 20 30 EHEDHN C[C@H](NCc1cc(C#N)cnc1Cl)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000877076717 1137669487 /nfs/dbraw/zinc/66/94/87/1137669487.db2.gz PSJISKLSWBFILV-NVGCLXPQSA-N 0 3 327.815 3.649 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000825938285 1137671965 /nfs/dbraw/zinc/67/19/65/1137671965.db2.gz IYRWRMZAZQCQPC-HNNXBMFYSA-N 0 3 349.887 3.710 20 30 EHEDHN C=CC[C@H](CC)NCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877497494 1137678593 /nfs/dbraw/zinc/67/85/93/1137678593.db2.gz REECXWADUJNBPR-ZDUSSCGKSA-N 0 3 337.464 3.879 20 30 EHEDHN CC(C)Cn1cc([C@@H]2N(C[C@H](C)CCC#N)CC23CCOCC3)cn1 ZINC000877632602 1137683694 /nfs/dbraw/zinc/68/36/94/1137683694.db2.gz GUPWWWNMBXXBLK-MJGOQNOKSA-N 0 3 344.503 3.632 20 30 EHEDHN CC(=O)[C@@](C#N)(CCN1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000878013936 1137699586 /nfs/dbraw/zinc/69/95/86/1137699586.db2.gz GMMOGBPQPWXGGM-UNMCSNQZSA-N 0 3 332.447 3.917 20 30 EHEDHN COC(=O)c1ccc(OC)c2c1CCN(CCCCC(C)(C)C#N)C2 ZINC000880036853 1137766174 /nfs/dbraw/zinc/76/61/74/1137766174.db2.gz RCQKRPWCAHBXKO-UHFFFAOYSA-N 0 3 344.455 3.560 20 30 EHEDHN CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1C1CCN(CCCC#N)CC1 ZINC000880592333 1137781998 /nfs/dbraw/zinc/78/19/98/1137781998.db2.gz VJERDEIVMLWOAW-QGZVFWFLSA-N 0 3 347.503 3.792 20 30 EHEDHN C=C/C=C\CCSc1nnc(CCN2CCCCC2)n1CC=C ZINC000882081942 1137820798 /nfs/dbraw/zinc/82/07/98/1137820798.db2.gz IDLKKDZEFCGXGT-WAYWQWQTSA-N 0 3 332.517 3.717 20 30 EHEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(Nc3ccccc3)cc1)C2 ZINC000884048344 1137899045 /nfs/dbraw/zinc/89/90/45/1137899045.db2.gz IEKMYKGJBTZFRE-ZGOJQLDESA-N 0 3 346.434 3.508 20 30 EHEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000119296668 1137940167 /nfs/dbraw/zinc/94/01/67/1137940167.db2.gz DTZKJSZBPQWHPW-CYBMUJFWSA-N 0 3 341.846 3.639 20 30 EHEDHN N#CC1(C[C@@H](O)CN(CCC(F)(F)F)Cc2ccccc2)CCC1 ZINC000886168144 1138055295 /nfs/dbraw/zinc/05/52/95/1138055295.db2.gz KBVMUFCXYWVJGZ-MRXNPFEDSA-N 0 3 340.389 3.886 20 30 EHEDHN CC(C)[C@H](Cc1ccccc1)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000886423488 1138074568 /nfs/dbraw/zinc/07/45/68/1138074568.db2.gz DKKQNXBGKIEKDN-IBGZPJMESA-N 0 3 346.434 3.965 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(SCC)c2)CC1 ZINC000073990789 1138116935 /nfs/dbraw/zinc/11/69/35/1138116935.db2.gz FHURWCJIIWVCBU-UHFFFAOYSA-N 0 3 333.501 3.961 20 30 EHEDHN CC(C)C[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000123848680 1138275288 /nfs/dbraw/zinc/27/52/88/1138275288.db2.gz WQFJTJYYVOVXOB-INIZCTEOSA-N 0 3 327.453 3.935 20 30 EHEDHN COCc1ccc([C@@H]2CCCN2CCOc2ccc(C#N)cc2)o1 ZINC000131025477 1138491358 /nfs/dbraw/zinc/49/13/58/1138491358.db2.gz DZGNCYQSDXFZHQ-SFHVURJKSA-N 0 3 326.396 3.514 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc3ccccc3c2)CC1 ZINC000264376846 1138493487 /nfs/dbraw/zinc/49/34/87/1138493487.db2.gz SMFYDNOHKKFMGX-UHFFFAOYSA-N 0 3 337.467 3.632 20 30 EHEDHN C=CCN1CCC(NC(=O)CSc2ccc(C(C)C)cc2)CC1 ZINC000264484372 1138531747 /nfs/dbraw/zinc/53/17/47/1138531747.db2.gz MDPXVTQZXAIRKW-UHFFFAOYSA-N 0 3 332.513 3.669 20 30 EHEDHN C[C@H](N[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(C#N)cc1 ZINC000338356173 1138850232 /nfs/dbraw/zinc/85/02/32/1138850232.db2.gz KQOYMSHCEVCXKZ-IFXJQAMLSA-N 0 3 337.398 3.544 20 30 EHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000176948769 1139588527 /nfs/dbraw/zinc/58/85/27/1139588527.db2.gz MIAUWXGBVNEIKG-LBPRGKRZSA-N 0 3 340.452 3.754 20 30 EHEDHN Cc1sc(NC(=O)CN[C@H](c2ccccc2)C2CC2)c(C#N)c1C ZINC000179691296 1139775186 /nfs/dbraw/zinc/77/51/86/1139775186.db2.gz KDUZRXMOKQMKCK-GOSISDBHSA-N 0 3 339.464 3.916 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccccc2CCC(F)(F)F)CC1 ZINC000270322678 1141207232 /nfs/dbraw/zinc/20/72/32/1141207232.db2.gz VAINPPCUMHLPPX-UHFFFAOYSA-N 0 3 340.389 3.562 20 30 EHEDHN Cc1csc(C2(NCCCOc3cccc(C#N)c3)CCC2)n1 ZINC000274117801 1141477005 /nfs/dbraw/zinc/47/70/05/1141477005.db2.gz WLRFLWFMBQDRDV-UHFFFAOYSA-N 0 3 327.453 3.761 20 30 EHEDHN Cc1nnc([C@H](C)NC2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000274184306 1141483688 /nfs/dbraw/zinc/48/36/88/1141483688.db2.gz JFMYNEDEBYFHCR-BELGNNRLSA-N 0 3 326.469 3.901 20 30 EHEDHN C#C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001573280838 946667548 /nfs/dbraw/zinc/66/75/48/946667548.db2.gz SPWFCBPIYMEBDR-SFHVURJKSA-N 0 3 343.434 3.521 20 30 EHEDHN C#C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001573280838 946667549 /nfs/dbraw/zinc/66/75/49/946667549.db2.gz SPWFCBPIYMEBDR-SFHVURJKSA-N 0 3 343.434 3.521 20 30 EHEDHN CC(C)c1csc(C(C#N)=C([O-])c2ccc(-n3cccn3)cc2)n1 ZINC000080455189 1032067316 /nfs/dbraw/zinc/06/73/16/1032067316.db2.gz MUTJGDXPICBOQF-OAHLLOKOSA-N 0 3 336.420 3.942 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(-n3cccn3)cc2)n1 ZINC000080455189 1032067324 /nfs/dbraw/zinc/06/73/24/1032067324.db2.gz MUTJGDXPICBOQF-OAHLLOKOSA-N 0 3 336.420 3.942 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000127031213 1015179004 /nfs/dbraw/zinc/17/90/04/1015179004.db2.gz ULECGCOZNCIAHB-HXUWFJFHSA-N 0 3 347.462 3.603 20 30 EHEDHN N#Cc1ccc(OCCN(Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000059958932 1015739105 /nfs/dbraw/zinc/73/91/05/1015739105.db2.gz QYIZWWOXVSZNPO-OAQYLSRUSA-N 0 3 336.435 3.618 20 30 EHEDHN C=C(C)[C@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000275089396 1015967438 /nfs/dbraw/zinc/96/74/38/1015967438.db2.gz ULAZACOXUCYKGD-ACJLOTCBSA-N 0 3 349.425 3.532 20 30 EHEDHN CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(CC#N)cc3)ccc2NC1=O ZINC000343741922 1032137699 /nfs/dbraw/zinc/13/76/99/1032137699.db2.gz GZTHWLAZZUVJLP-LIRRHRJNSA-N 0 3 349.434 3.713 20 30 EHEDHN C=CCCC[C@@H](C)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000538095991 1032139989 /nfs/dbraw/zinc/13/99/89/1032139989.db2.gz OEUQWLZHHSYBGC-OAHLLOKOSA-N 0 3 346.500 3.661 20 30 EHEDHN N#Cc1cc(NC[C@@H](c2ccco2)N2CCCCC2)c2ccccc2n1 ZINC000610246562 1016176959 /nfs/dbraw/zinc/17/69/59/1016176959.db2.gz LHCNMGRVAJSMDU-FQEVSTJZSA-N 0 3 346.434 3.760 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177557402 1016380131 /nfs/dbraw/zinc/38/01/31/1016380131.db2.gz IHVXXIFLBJQLEJ-YESZJQIVSA-N 0 3 343.446 3.583 20 30 EHEDHN C#Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000077673827 1017069216 /nfs/dbraw/zinc/06/92/16/1017069216.db2.gz VISQODPFZCCGKB-SFHVURJKSA-N 0 3 347.462 3.796 20 30 EHEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000538146223 1032188020 /nfs/dbraw/zinc/18/80/20/1032188020.db2.gz XYJUAPVVZGIYIN-CYBMUJFWSA-N 0 3 332.350 3.889 20 30 EHEDHN CCCOc1c(Cl)cc(/C=C2\C(=O)c3ncnn3C2C)cc1OC ZINC000905079729 1032331826 /nfs/dbraw/zinc/33/18/26/1032331826.db2.gz FWSXJWUOVWUZGG-OGGBREFQSA-N 0 3 347.802 3.570 20 30 EHEDHN C[C@@](O)(CNCc1ccc(C(F)F)cc1)C(F)(F)C(F)(F)F ZINC000905213034 1032385994 /nfs/dbraw/zinc/38/59/94/1032385994.db2.gz BEVJHDGCLUPENA-LLVKDONJSA-N 0 3 333.247 3.662 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccs1 ZINC000537077980 1032508241 /nfs/dbraw/zinc/50/82/41/1032508241.db2.gz OCXCQYUFUUZROY-MSOLQXFVSA-N 0 3 333.501 3.623 20 30 EHEDHN Cc1cc([C@H](NCC(=O)Nc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000537219994 1032565318 /nfs/dbraw/zinc/56/53/18/1032565318.db2.gz LLNLALVXEPGECD-HXUWFJFHSA-N 0 3 337.398 3.685 20 30 EHEDHN COc1ccc(CN2CC[C@@H](OC)C(C)(C)C2)cc1OCCCC#N ZINC000449496085 1032665661 /nfs/dbraw/zinc/66/56/61/1032665661.db2.gz GALZUSHSQMSZMO-LJQANCHMSA-N 0 3 346.471 3.625 20 30 EHEDHN C#C[C@H]1CC[C@H](N[C@H](C)c2nc(Br)ccc2F)CC1 ZINC000926839662 1017238372 /nfs/dbraw/zinc/23/83/72/1017238372.db2.gz MROUXOZEHNKOFD-IJLUTSLNSA-N 0 3 325.225 3.826 20 30 EHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639162223 1017712679 /nfs/dbraw/zinc/71/26/79/1017712679.db2.gz QLJYTYZJNMROKU-SFHVURJKSA-N 0 3 340.467 3.677 20 30 EHEDHN CCCNc1ccc(C#N)cc1NC(=O)c1cccc(CN(C)C)c1 ZINC000175787486 1018017720 /nfs/dbraw/zinc/01/77/20/1018017720.db2.gz PORFXOZBDJJLCE-UHFFFAOYSA-N 0 3 336.439 3.694 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1scc(C)c1C#N)c1ccco1 ZINC000574169156 1032746669 /nfs/dbraw/zinc/74/66/69/1032746669.db2.gz DCTOEUZMJUTRDA-GXTWGEPZSA-N 0 3 346.456 3.772 20 30 EHEDHN CC(C)C[C@H](C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000340513800 1018197878 /nfs/dbraw/zinc/19/78/78/1018197878.db2.gz UVVDOFYNGANKRZ-KRWDZBQOSA-N 0 3 329.488 3.521 20 30 EHEDHN CN1CCN(CCC2(C#N)CCCCC2)[C@H](Cc2ccccc2)C1 ZINC000593089878 1032756097 /nfs/dbraw/zinc/75/60/97/1032756097.db2.gz UYOJQSZMTXEULM-HXUWFJFHSA-N 0 3 325.500 3.709 20 30 EHEDHN C=CCCCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000472862189 1018359902 /nfs/dbraw/zinc/35/99/02/1018359902.db2.gz YAYMOYOOJCWWEH-GOSISDBHSA-N 0 3 329.488 3.649 20 30 EHEDHN CN(C)c1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000237086872 1019252351 /nfs/dbraw/zinc/25/23/51/1019252351.db2.gz GXNNZJDJNYDZCI-UHFFFAOYSA-N 0 3 332.369 3.913 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccc2ccccc2c1 ZINC000175947211 1019384400 /nfs/dbraw/zinc/38/44/00/1019384400.db2.gz LSSXAFADLSKSEA-IFXJQAMLSA-N 0 3 334.419 3.711 20 30 EHEDHN COC(=O)c1cccc(CN[C@@H](C)C2CCC(F)(F)CC2)c1C#N ZINC000594040113 1032860991 /nfs/dbraw/zinc/86/09/91/1032860991.db2.gz DGEUDRZZRAERTQ-LBPRGKRZSA-N 0 3 336.382 3.648 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1OC(F)(F)F ZINC000602505325 1032938172 /nfs/dbraw/zinc/93/81/72/1032938172.db2.gz ZYCBMPPTSZRJLD-ZDUSSCGKSA-N 0 3 342.361 3.774 20 30 EHEDHN C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000426285223 1021166666 /nfs/dbraw/zinc/16/66/66/1021166666.db2.gz ADTGSFCTKWBSMZ-UKRRQHHQSA-N 0 3 327.378 3.766 20 30 EHEDHN C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3cc(C)cc(F)c3)C2)C1 ZINC001143580242 1021925617 /nfs/dbraw/zinc/92/56/17/1021925617.db2.gz BHCMCRRPGPDFJU-FQEVSTJZSA-N 0 3 346.446 3.745 20 30 EHEDHN N#Cc1cccc(CNC2(Cc3ccccc3Br)CC2)n1 ZINC000602671794 1033052954 /nfs/dbraw/zinc/05/29/54/1033052954.db2.gz IREPXOUNQNCLCY-UHFFFAOYSA-N 0 3 342.240 3.581 20 30 EHEDHN CC[C@H](O)[C@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438110727 1022395763 /nfs/dbraw/zinc/39/57/63/1022395763.db2.gz RFVCSGDMBCKQJT-SJORKVTESA-N 0 3 341.373 3.562 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000438176634 1022440924 /nfs/dbraw/zinc/44/09/24/1022440924.db2.gz LIFQOTRIKZPQCR-HXUWFJFHSA-N 0 3 335.451 3.970 20 30 EHEDHN O=C(Nc1ccc(OC(F)F)nc1)[C@H]1CCCN1C1CCCC1 ZINC000328699238 1022470138 /nfs/dbraw/zinc/47/01/38/1022470138.db2.gz MDWZBPDAMOPJFV-CYBMUJFWSA-N 0 3 325.359 3.678 20 30 EHEDHN C=C[C@H](C(=O)N(CCN(C)C)Cc1ccsc1)c1ccccc1 ZINC001299157669 1022478439 /nfs/dbraw/zinc/47/84/39/1022478439.db2.gz FAFKMNLRCLBYHL-SFHVURJKSA-N 0 3 328.481 3.608 20 30 EHEDHN CC(C)[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccc(Cl)cc1 ZINC000550153726 1022604094 /nfs/dbraw/zinc/60/40/94/1022604094.db2.gz WSIRGWDRHROONI-QGZVFWFLSA-N 0 3 339.830 3.741 20 30 EHEDHN CC[C@H]1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000438502591 1022714633 /nfs/dbraw/zinc/71/46/33/1022714633.db2.gz COQMZTDLWMQMIV-MSOLQXFVSA-N 0 3 327.472 3.671 20 30 EHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000426765967 1023018765 /nfs/dbraw/zinc/01/87/65/1023018765.db2.gz VCHDMSTZUHIEBS-SNPRPXQTSA-N 0 3 331.847 3.661 20 30 EHEDHN C=CCCSCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000602711971 1033100842 /nfs/dbraw/zinc/10/08/42/1033100842.db2.gz WBFCVBJCPWGJTF-UHFFFAOYSA-N 0 3 333.423 3.637 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000507196586 1023175397 /nfs/dbraw/zinc/17/53/97/1023175397.db2.gz NMLJISBBOSTFLS-UHFFFAOYSA-N 0 3 332.463 3.505 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1N1CCOCC1 ZINC000341761749 1023279542 /nfs/dbraw/zinc/27/95/42/1023279542.db2.gz RLWYQJFKNIXVJG-NRFANRHFSA-N 0 3 347.462 3.562 20 30 EHEDHN COC(=O)c1cc(CNCc2ccc(-c3ccccc3C#N)cc2)c[nH]1 ZINC000091068150 1023484673 /nfs/dbraw/zinc/48/46/73/1023484673.db2.gz LHUDAPIFLQLSHO-UHFFFAOYSA-N 0 3 345.402 3.630 20 30 EHEDHN Cc1cc(-n2ccnc2)ccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000341970451 1023726020 /nfs/dbraw/zinc/72/60/20/1023726020.db2.gz NZXXITNMASAHLI-UHFFFAOYSA-N 0 3 328.419 3.831 20 30 EHEDHN COc1ccc2[nH]cc(C3CCN(Cc4ccnc(C#N)c4)CC3)c2c1 ZINC000610991915 1023973307 /nfs/dbraw/zinc/97/33/07/1023973307.db2.gz WKPBIFVMOFHHTK-UHFFFAOYSA-N 0 3 346.434 3.823 20 30 EHEDHN Cc1ccccc1[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000441533907 1024045021 /nfs/dbraw/zinc/04/50/21/1024045021.db2.gz OBFTUNYIQAJYHV-GOSISDBHSA-N 0 3 344.418 3.906 20 30 EHEDHN CCO[C@H](C)c1ncc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)s1 ZINC000329802767 1024200909 /nfs/dbraw/zinc/20/09/09/1024200909.db2.gz JLOVXXLXGKOPRD-CHWSQXEVSA-N 0 3 337.489 3.562 20 30 EHEDHN C=CC[C@H]1CCCN(Cc2ccc(NC(=O)OC(C)(C)C)nn2)C1 ZINC000895337971 1024320919 /nfs/dbraw/zinc/32/09/19/1024320919.db2.gz MWDAZUZSKBWZFZ-AWEZNQCLSA-N 0 3 332.448 3.612 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NCC=C)c1ccc(C(F)(F)F)cc1 ZINC000342190833 1024364448 /nfs/dbraw/zinc/36/44/48/1024364448.db2.gz JAFLSNJCJSYCCN-OAHLLOKOSA-N 0 3 326.362 3.605 20 30 EHEDHN C[C@H]1CN(CCCOc2ccc3ccccc3c2)C[C@H](C)N1CC#N ZINC000602856079 1033211815 /nfs/dbraw/zinc/21/18/15/1033211815.db2.gz JVYQQIWWAUZITI-ROUUACIJSA-N 0 3 337.467 3.527 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000434901474 1024492712 /nfs/dbraw/zinc/49/27/12/1024492712.db2.gz WDVLYWKAOCFZBP-QINHECLXSA-N 0 3 333.435 3.763 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1 ZINC000106036006 1024522155 /nfs/dbraw/zinc/52/21/55/1024522155.db2.gz AKFPXSBXIKKRRM-UHFFFAOYSA-N 0 3 346.519 3.532 20 30 EHEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccccc3F)C2)c(F)c1 ZINC000536499254 1024739297 /nfs/dbraw/zinc/73/92/97/1024739297.db2.gz SKEOGMQXAHRXKH-INIZCTEOSA-N 0 3 327.378 3.595 20 30 EHEDHN C=CCCn1cc(CNCC2(c3ccc(F)cc3)CCCC2)nn1 ZINC000657312737 1025008292 /nfs/dbraw/zinc/00/82/92/1025008292.db2.gz BVWPUQAKDUGSRM-UHFFFAOYSA-N 0 3 328.435 3.595 20 30 EHEDHN CN1CC[C@@H](NCc2ccccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000551352348 1025279454 /nfs/dbraw/zinc/27/94/54/1025279454.db2.gz XPQVFRVMSHOXAK-RTBURBONSA-N 0 3 325.843 3.747 20 30 EHEDHN CCO[C@]12CCC[C@@]1(NCc1cccc(OCCCC#N)c1)CCO2 ZINC000897978536 1033274446 /nfs/dbraw/zinc/27/44/46/1033274446.db2.gz PEBBYKYECDJYEH-UXHICEINSA-N 0 3 344.455 3.535 20 30 EHEDHN C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000515548570 1025342712 /nfs/dbraw/zinc/34/27/12/1025342712.db2.gz HVZSECYJNYSVEP-HOJAQTOUSA-N 0 3 339.483 3.834 20 30 EHEDHN C[C@H]1c2ccsc2CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000321181145 1025456446 /nfs/dbraw/zinc/45/64/46/1025456446.db2.gz SRAGBRAZSUCFPM-ZDUSSCGKSA-N 0 3 325.437 3.568 20 30 EHEDHN N#Cc1csc(CN2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1 ZINC000896517301 1025527451 /nfs/dbraw/zinc/52/74/51/1025527451.db2.gz WUEIAJDVAHKZOX-CYBMUJFWSA-N 0 3 329.494 3.945 20 30 EHEDHN Cc1nnc([C@H]2CCCN([C@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)[nH]1 ZINC000329505775 1025935099 /nfs/dbraw/zinc/93/50/99/1025935099.db2.gz ZKVDIKFBGCOQFA-ZBFHGGJFSA-N 0 3 341.459 3.586 20 30 EHEDHN CN(C)Cc1ccc(-c2noc(/C=C/c3ccc(C#N)cc3)n2)cc1 ZINC000530632967 1026140960 /nfs/dbraw/zinc/14/09/60/1026140960.db2.gz KOMZXDYJXMACMK-FMIVXFBMSA-N 0 3 330.391 3.840 20 30 EHEDHN CN1CC[C@@H](NCc2cccc(C#N)c2F)[C@H]1c1ccc(Cl)cc1 ZINC000562050388 1026263718 /nfs/dbraw/zinc/26/37/18/1026263718.db2.gz RFUHJSANLIUZBW-IEBWSBKVSA-N 0 3 343.833 3.886 20 30 EHEDHN C=CCCn1cc(CNC2CCC(c3ccc(F)cc3)CC2)nn1 ZINC000657430690 1026279261 /nfs/dbraw/zinc/27/92/61/1026279261.db2.gz AOXGEKHELRCWIY-UHFFFAOYSA-N 0 3 328.435 3.809 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000186226332 1026335774 /nfs/dbraw/zinc/33/57/74/1026335774.db2.gz XSZDSZMKMAWMBM-UHFFFAOYSA-N 0 3 339.483 3.528 20 30 EHEDHN CN(CC#Cc1ccc(Cl)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000452034894 1026451041 /nfs/dbraw/zinc/45/10/41/1026451041.db2.gz VFCNTPJSLFHWGW-UHFFFAOYSA-N 0 3 344.808 3.650 20 30 EHEDHN CN(Cc1cc(F)ccc1C#N)C1CCN(CCC(F)(F)F)CC1 ZINC000452125060 1026493733 /nfs/dbraw/zinc/49/37/33/1026493733.db2.gz YERANRRDYZTOHM-UHFFFAOYSA-N 0 3 343.368 3.546 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000186325828 1026509343 /nfs/dbraw/zinc/50/93/43/1026509343.db2.gz FZOWICKPIYUFSV-MRXNPFEDSA-N 0 3 348.372 3.919 20 30 EHEDHN CC(C)(C)Oc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000609919089 1027519685 /nfs/dbraw/zinc/51/96/85/1027519685.db2.gz SJMPVJXISPUHHA-UHFFFAOYSA-N 0 3 334.423 3.673 20 30 EHEDHN COCCc1nc(C)c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618805907 1027678862 /nfs/dbraw/zinc/67/88/62/1027678862.db2.gz PKDPMDIVLOJNMJ-SJCJKPOMSA-N 0 3 341.480 3.850 20 30 EHEDHN C=CC(C)(C)CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000455367105 1028074200 /nfs/dbraw/zinc/07/42/00/1028074200.db2.gz NJMWHLKJVKZMOU-QGZVFWFLSA-N 0 3 329.488 3.505 20 30 EHEDHN CC1(C)C[C@@H](NCC#Cc2ccc(OC(F)(F)F)cc2)C(C)(C)O1 ZINC000444633283 1028104707 /nfs/dbraw/zinc/10/47/07/1028104707.db2.gz BVIPGGMBPYTKJJ-OAHLLOKOSA-N 0 3 341.373 3.872 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccc(OC)cc1)Cc1cccs1 ZINC000055899565 1028299391 /nfs/dbraw/zinc/29/93/91/1028299391.db2.gz JQVDVFROOKEUQT-UHFFFAOYSA-N 0 3 330.453 3.774 20 30 EHEDHN COc1ccc(OCCN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502514163 1028303151 /nfs/dbraw/zinc/30/31/51/1028303151.db2.gz ZDFYLVUGSUAPNY-UHFFFAOYSA-N 0 3 334.419 3.735 20 30 EHEDHN CCCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000424102357 1028784502 /nfs/dbraw/zinc/78/45/02/1028784502.db2.gz LKTQPTJQRKAYHY-ZBFHGGJFSA-N 0 3 327.428 3.754 20 30 EHEDHN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424098470 1028799519 /nfs/dbraw/zinc/79/95/19/1028799519.db2.gz KYBACLBMUIOCBW-HZMBPMFUSA-N 0 3 328.243 3.534 20 30 EHEDHN C[C@@H](c1ccc2ccccc2c1)N(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424097721 1028800738 /nfs/dbraw/zinc/80/07/38/1028800738.db2.gz BIYZMCVPTFISRR-YWZLYKJASA-N 0 3 335.451 3.913 20 30 EHEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000424115920 1028811426 /nfs/dbraw/zinc/81/14/26/1028811426.db2.gz WENNGPFNWGBICG-KRWDZBQOSA-N 0 3 347.890 3.679 20 30 EHEDHN N#CCCN(C(=O)CN1CCC[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000247745737 1028814661 /nfs/dbraw/zinc/81/46/61/1028814661.db2.gz PVEGSQPDOMWUHI-PKOBYXMFSA-N 0 3 325.456 3.588 20 30 EHEDHN C[C@H](Oc1ccccc1NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424125949 1028821426 /nfs/dbraw/zinc/82/14/26/1028821426.db2.gz OJJVDGZUGCWESN-RDJZCZTQSA-N 0 3 337.423 3.786 20 30 EHEDHN Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H](N)CCCC#N ZINC000424133164 1028849170 /nfs/dbraw/zinc/84/91/70/1028849170.db2.gz YUFRKVPTUYXIRF-SFHVURJKSA-N 0 3 337.423 3.534 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](C)[C@H](C)[C@@H]2C)c1C ZINC000419336764 1028961521 /nfs/dbraw/zinc/96/15/21/1028961521.db2.gz AOQKCGQVHJTRBF-BQFCYCMXSA-N 0 3 327.472 3.526 20 30 EHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000424324446 1028970583 /nfs/dbraw/zinc/97/05/83/1028970583.db2.gz KABOHNRFXPANLV-HLLBOEOZSA-N 0 3 346.496 3.746 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC2(CCCC2)C1 ZINC000445876733 1029205873 /nfs/dbraw/zinc/20/58/73/1029205873.db2.gz YZMCQWYOFIGEJD-SFHVURJKSA-N 0 3 339.483 3.978 20 30 EHEDHN CC[C@H](N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447587808 1030320056 /nfs/dbraw/zinc/32/00/56/1030320056.db2.gz RPVFRXXQGCAYTA-YSSFQJQWSA-N 0 3 333.435 3.793 20 30 EHEDHN CN(Cc1cccc(OCCCC#N)c1)[C@H](CCO)c1ccccc1 ZINC000093442487 1030612612 /nfs/dbraw/zinc/61/26/12/1030612612.db2.gz VNPFOGWQRUKWBC-OAQYLSRUSA-N 0 3 338.451 3.925 20 30 EHEDHN COC(=O)CCN(Cc1cccc(F)c1F)CC(C)(C)CCC#N ZINC000093608544 1030641631 /nfs/dbraw/zinc/64/16/31/1030641631.db2.gz JYZMFQGIMXTRPW-UHFFFAOYSA-N 0 3 338.398 3.660 20 30 EHEDHN N#Cc1ccc(CN2CCN(CCCCOc3ccccc3)CC2)cc1 ZINC000527106715 1030648937 /nfs/dbraw/zinc/64/89/37/1030648937.db2.gz OZOVEVYBUYHVKM-UHFFFAOYSA-N 0 3 349.478 3.535 20 30 EHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000246736522 1030678200 /nfs/dbraw/zinc/67/82/00/1030678200.db2.gz IELHGVGXVSOPMB-ZHALLVOQSA-N 0 3 339.483 3.596 20 30 EHEDHN C[C@H](NC[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccc(C#N)cc1F ZINC000926915924 1031261171 /nfs/dbraw/zinc/26/11/71/1031261171.db2.gz MTHNGZKGNIWZIV-NVBFEUDRSA-N 0 3 330.325 3.848 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000175477481 1031340682 /nfs/dbraw/zinc/34/06/82/1031340682.db2.gz ABRSSFDDIUVHJH-HNAYVOBHSA-N 0 3 345.462 3.569 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000083216837 1031484637 /nfs/dbraw/zinc/48/46/37/1031484637.db2.gz BZWYIWKQFANISI-SJORKVTESA-N 0 3 329.488 3.518 20 30 EHEDHN CC1CCN([C@@H](CNC(=O)CC(C)(C)C#N)c2cccs2)CC1 ZINC000278605587 1031606828 /nfs/dbraw/zinc/60/68/28/1031606828.db2.gz VMSZVOKEBNMGRH-HNNXBMFYSA-N 0 3 333.501 3.577 20 30 EHEDHN COc1ccc([C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C2CC2)cn1 ZINC000528042099 1031627000 /nfs/dbraw/zinc/62/70/00/1031627000.db2.gz CZYQZUSXMCSDKD-BLVKFPJESA-N 0 3 325.387 3.903 20 30 EHEDHN CCC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000192780386 1031678847 /nfs/dbraw/zinc/67/88/47/1031678847.db2.gz SABHGHSRHFGULZ-KRWDZBQOSA-N 0 3 325.412 3.838 20 30 EHEDHN C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)c1cccc(C#N)c1 ZINC000075504470 1031812958 /nfs/dbraw/zinc/81/29/58/1031812958.db2.gz PRYABCTWYMHLMS-CQSZACIVSA-N 0 3 347.418 3.857 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccccc1Oc1ccccc1 ZINC000594431410 1033368405 /nfs/dbraw/zinc/36/84/05/1033368405.db2.gz MAMGGQPSOWGWAU-GOSISDBHSA-N 0 3 337.423 3.506 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000594435884 1033372127 /nfs/dbraw/zinc/37/21/27/1033372127.db2.gz GCXLXBYQUUQMLR-SJORKVTESA-N 0 3 333.863 3.805 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000594437153 1033374290 /nfs/dbraw/zinc/37/42/90/1033374290.db2.gz LPELCFMXEJXLBL-LJQANCHMSA-N 0 3 337.423 3.615 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000594444478 1033377505 /nfs/dbraw/zinc/37/75/05/1033377505.db2.gz NKHWFLHASARHAO-NSHDSACASA-N 0 3 345.390 3.533 20 30 EHEDHN CC(C)(C)c1ccc(C(C)(C)CNC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594443780 1033377876 /nfs/dbraw/zinc/37/78/76/1033377876.db2.gz URUYXCAGHZKRET-GOSISDBHSA-N 0 3 343.515 3.789 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000594446653 1033379255 /nfs/dbraw/zinc/37/92/55/1033379255.db2.gz VXJAIQVYVFSEGX-INIZCTEOSA-N 0 3 347.422 3.580 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000594425519 1033388493 /nfs/dbraw/zinc/38/84/93/1033388493.db2.gz KMVGVXNEULYEOC-CYBMUJFWSA-N 0 3 348.859 3.813 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000594427658 1033389944 /nfs/dbraw/zinc/38/99/44/1033389944.db2.gz VQNBKEXYQBPOPZ-ZDUSSCGKSA-N 0 3 348.859 3.813 20 30 EHEDHN N#CC1(Cc2cn([C@H]3CCN(Cc4ccccc4)C3)nn2)CCCCC1 ZINC000594649851 1033471400 /nfs/dbraw/zinc/47/14/00/1033471400.db2.gz OKHDUAPYUCMABF-FQEVSTJZSA-N 0 3 349.482 3.742 20 30 EHEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000594612724 1033477806 /nfs/dbraw/zinc/47/78/06/1033477806.db2.gz QDWDYZQNXLJYFF-GOSISDBHSA-N 0 3 339.483 3.511 20 30 EHEDHN CC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000024252778 1033559833 /nfs/dbraw/zinc/55/98/33/1033559833.db2.gz KRMZEDXEWNVXLH-QGZVFWFLSA-N 0 3 327.815 3.891 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000106340942 1033571387 /nfs/dbraw/zinc/57/13/87/1033571387.db2.gz SZWNFWRTAXFJOM-INIZCTEOSA-N 0 3 347.478 3.959 20 30 EHEDHN COC[C@@H](C)Oc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000594937889 1033585874 /nfs/dbraw/zinc/58/58/74/1033585874.db2.gz JOKDAISUBRPXOT-QVKFZJNVSA-N 0 3 336.435 3.749 20 30 EHEDHN COc1ccc([C@H](CN(C)C)NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594941404 1033589640 /nfs/dbraw/zinc/58/96/40/1033589640.db2.gz SKQRSOHUFVNKPF-NRFANRHFSA-N 0 3 349.478 3.643 20 30 EHEDHN N#CC(C(=O)[C@@H]1C[C@]12CCc1ccccc12)c1nc2ccccc2[nH]1 ZINC000173903570 1033615232 /nfs/dbraw/zinc/61/52/32/1033615232.db2.gz GZIZFBWBWAIUFS-ZJTDPSCFSA-N 0 3 327.387 3.643 20 30 EHEDHN COCc1csc(CNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000594980267 1033617622 /nfs/dbraw/zinc/61/76/22/1033617622.db2.gz OBEJADBMVNUMHY-UHFFFAOYSA-N 0 3 342.464 3.562 20 30 EHEDHN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1OC1CC1 ZINC000598973902 1033620541 /nfs/dbraw/zinc/62/05/41/1033620541.db2.gz GMXXUEZTDJIQRL-IBGZPJMESA-N 0 3 334.419 3.885 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC2CCCC2)cc1 ZINC000173986582 1033663716 /nfs/dbraw/zinc/66/37/16/1033663716.db2.gz RPXTVQQSYIZQEC-KRWDZBQOSA-N 0 3 328.412 3.703 20 30 EHEDHN C=CCC[C@H](NC[C@H](C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000574982597 1033747928 /nfs/dbraw/zinc/74/79/28/1033747928.db2.gz DGQZBAGPMQCHRN-WFASDCNBSA-N 0 3 349.418 3.735 20 30 EHEDHN C[C@H](C(=O)N(C)CCC#N)N(C)Cc1ccccc1-c1ccccc1 ZINC000101560388 1033793738 /nfs/dbraw/zinc/79/37/38/1033793738.db2.gz XOTPPWHPWXFLFQ-QGZVFWFLSA-N 0 3 335.451 3.546 20 30 EHEDHN CO[C@H](CN1CCC(C#N)(c2ccccn2)CC1)C1CCCCC1 ZINC000595471421 1033822047 /nfs/dbraw/zinc/82/20/47/1033822047.db2.gz AOTZDXLYKYIKIL-GOSISDBHSA-N 0 3 327.472 3.534 20 30 EHEDHN Cc1ccc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1C#N ZINC000599267854 1033832421 /nfs/dbraw/zinc/83/24/21/1033832421.db2.gz RHVZBENXBZRBQC-SFHVURJKSA-N 0 3 349.482 3.564 20 30 EHEDHN CC(C)(C)OC(=O)[C@H]1CN(CCCSCC#N)Cc2ccccc21 ZINC000595614229 1033925036 /nfs/dbraw/zinc/92/50/36/1033925036.db2.gz JRHWXXHBOVHKCY-KRWDZBQOSA-N 0 3 346.496 3.574 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC000594332497 1033967041 /nfs/dbraw/zinc/96/70/41/1033967041.db2.gz RQBHJBGUOCSBQP-INIZCTEOSA-N 0 3 335.451 3.746 20 30 EHEDHN N#Cc1ccc(OCCN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000593125884 1034011372 /nfs/dbraw/zinc/01/13/72/1034011372.db2.gz PXSFRQPPQKAPFK-FKBYEOEOSA-N 0 3 348.446 3.932 20 30 EHEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583936 1034025396 /nfs/dbraw/zinc/02/53/96/1034025396.db2.gz SWOQNVLMBBUMLS-CRAIPNDOSA-N 0 3 328.456 3.552 20 30 EHEDHN Cc1cccc([C@@H](NCC(=O)Nc2sccc2C#N)C(C)C)c1 ZINC000599626324 1034051917 /nfs/dbraw/zinc/05/19/17/1034051917.db2.gz CXKKJYRWGGVZDY-KRWDZBQOSA-N 0 3 327.453 3.854 20 30 EHEDHN C=CCOCCCN[C@@H](C)c1ccc(OC)cc1Br ZINC000658210121 1034073405 /nfs/dbraw/zinc/07/34/05/1034073405.db2.gz OKZOSSWNALGAQY-LBPRGKRZSA-N 0 3 328.250 3.701 20 30 EHEDHN Cc1cc(-n2ccnc2)ccc1CN1CCc2c(CC#N)cccc2C1 ZINC000599677951 1034082789 /nfs/dbraw/zinc/08/27/89/1034082789.db2.gz NPTIDUZTPUZPOO-UHFFFAOYSA-N 0 3 342.446 3.805 20 30 EHEDHN CCCCCNC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000188235760 1034083768 /nfs/dbraw/zinc/08/37/68/1034083768.db2.gz PMDRLTIBWJSFMO-MRXNPFEDSA-N 0 3 327.472 3.638 20 30 EHEDHN C[C@@H]1C[C@H](Nc2nc(C#N)c(Cl)s2)CCN1Cc1ccccc1 ZINC000596153031 1034094581 /nfs/dbraw/zinc/09/45/81/1034094581.db2.gz MNDGZQFDBNWFIN-TZMCWYRMSA-N 0 3 346.887 3.555 20 30 EHEDHN C[C@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)CCN1Cc1ccccc1 ZINC000596153027 1034094635 /nfs/dbraw/zinc/09/46/35/1034094635.db2.gz MNDGZQFDBNWFIN-JSGCOSHPSA-N 0 3 346.887 3.555 20 30 EHEDHN COc1ccc([C@H]2CCN(Cc3ccc(C#N)cc3OC)C2)cc1F ZINC000599680622 1034109992 /nfs/dbraw/zinc/10/99/92/1034109992.db2.gz VCTVZEAWHGEJRL-INIZCTEOSA-N 0 3 340.398 3.704 20 30 EHEDHN C=C[C@H](CO)N[C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000658333895 1034203949 /nfs/dbraw/zinc/20/39/49/1034203949.db2.gz UYRHZZAVRSRYRY-ZIAGYGMSSA-N 0 3 334.872 3.977 20 30 EHEDHN CC1CCN([C@H](CNC(=O)c2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000604200863 1034262643 /nfs/dbraw/zinc/26/26/43/1034262643.db2.gz YJLXRXSRZRJCJR-OAQYLSRUSA-N 0 3 347.462 3.761 20 30 EHEDHN CC1CCN([C@H](CNC(=O)C2(C#N)CCCC2)c2ccccc2)CC1 ZINC000604255997 1034298249 /nfs/dbraw/zinc/29/82/49/1034298249.db2.gz BJFFZSNZMRXMDA-LJQANCHMSA-N 0 3 339.483 3.660 20 30 EHEDHN CCCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)c1ccccc1 ZINC000604494849 1034400926 /nfs/dbraw/zinc/40/09/26/1034400926.db2.gz CADFGGVXLHZLKQ-PXNSSMCTSA-N 0 3 329.488 3.904 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)c2cccc(C)c2)c([O-])c1 ZINC000255841045 1034553212 /nfs/dbraw/zinc/55/32/12/1034553212.db2.gz RWDREAUYAKFWFZ-TUNPGAEXSA-N 0 3 326.440 3.699 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000179702247 1034585737 /nfs/dbraw/zinc/58/57/37/1034585737.db2.gz ZOZXAGVHPAHIFC-HNNXBMFYSA-N 0 3 336.439 3.509 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000171776674 1034616046 /nfs/dbraw/zinc/61/60/46/1034616046.db2.gz DRIVWDXPZRVPHQ-WMZOPIPTSA-N 0 3 326.440 3.512 20 30 EHEDHN CN(C)Cc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c(F)c1 ZINC000413942584 1035263264 /nfs/dbraw/zinc/26/32/64/1035263264.db2.gz WVRZWODMPFNUFN-QGZVFWFLSA-N 0 3 339.414 3.598 20 30 EHEDHN C[C@@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(C2CC2)c1 ZINC000581296872 1035487007 /nfs/dbraw/zinc/48/70/07/1035487007.db2.gz LLMZEMQATYILLC-VFNWGFHPSA-N 0 3 345.446 3.892 20 30 EHEDHN N#CC(C(=O)CCc1ccc(F)cc1F)c1nc2ccccc2[nH]1 ZINC000152019886 1035548149 /nfs/dbraw/zinc/54/81/49/1035548149.db2.gz FMERRFHBFPFBBE-ZDUSSCGKSA-N 0 3 325.318 3.650 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)/C=C/c2ccc(OCC#N)cc2)c1 ZINC000492267267 1035561466 /nfs/dbraw/zinc/56/14/66/1035561466.db2.gz DWCQRZHDFCWPAS-RMKNXTFCSA-N 0 3 349.434 3.611 20 30 EHEDHN COc1ccc(CN[C@@H](C)[C@@H](OC)c2ccccc2F)cc1C#N ZINC000272111347 1036255206 /nfs/dbraw/zinc/25/52/06/1036255206.db2.gz XURCXSVKMUFMPN-ORAYPTAESA-N 0 3 328.387 3.572 20 30 EHEDHN N#CC(C(=O)c1ccc(OC(F)F)cc1)c1cnc2ccccc2n1 ZINC000190956945 1036310918 /nfs/dbraw/zinc/31/09/18/1036310918.db2.gz JESBIMADPACVNI-ZDUSSCGKSA-N 0 3 339.301 3.721 20 30 EHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C(=O)N(C)C)cc1 ZINC000589949347 1036674052 /nfs/dbraw/zinc/67/40/52/1036674052.db2.gz HLDIDAGHPYFXCX-VLIAUNLRSA-N 0 3 333.435 3.598 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCSc3ccccc32)CC1 ZINC000171555482 1036734151 /nfs/dbraw/zinc/73/41/51/1036734151.db2.gz JYKUMRUDXJPXRO-QGZVFWFLSA-N 0 3 345.512 3.563 20 30 EHEDHN CC(C)Cc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000152459085 1036799083 /nfs/dbraw/zinc/79/90/83/1036799083.db2.gz DCVKMAUNAKTCJB-IBGZPJMESA-N 0 3 340.467 3.585 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000177310559 1036814071 /nfs/dbraw/zinc/81/40/71/1036814071.db2.gz UQRMHCQTXWKEHV-DHZHZOJOSA-N 0 3 349.434 3.611 20 30 EHEDHN N#Cc1ccc(OCCNCc2cc(Br)ccc2F)cc1 ZINC000237725695 1036892900 /nfs/dbraw/zinc/89/29/00/1036892900.db2.gz DIXQXFIAKWIGMA-UHFFFAOYSA-N 0 3 349.203 3.628 20 30 EHEDHN COc1cc(OC)c(C2CCN([C@@H](C)CCC#N)CC2)c(OC)c1 ZINC000591010952 1037188097 /nfs/dbraw/zinc/18/80/97/1037188097.db2.gz KSJRXFLSRDCBOB-AWEZNQCLSA-N 0 3 332.444 3.584 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CNC(CC)(CC)c1ccc(Cl)cc1 ZINC000303205867 1037217259 /nfs/dbraw/zinc/21/72/59/1037217259.db2.gz NDSSBIJIURPNQY-OAHLLOKOSA-N 0 3 349.906 3.953 20 30 EHEDHN Cc1c(Cl)cnc(NC[C@@H](c2cccc(F)c2)N(C)C)c1C#N ZINC000542281740 1037241237 /nfs/dbraw/zinc/24/12/37/1037241237.db2.gz HHOBLIKFKCKVKM-INIZCTEOSA-N 0 3 332.810 3.769 20 30 EHEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C)C(C)(C)C)cc1 ZINC000045823172 1037422057 /nfs/dbraw/zinc/42/20/57/1037422057.db2.gz OADLMMYGTNVWQK-INIZCTEOSA-N 0 3 345.487 3.698 20 30 EHEDHN CCCN(C)[C@H](CNCc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000352887048 1037495391 /nfs/dbraw/zinc/49/53/91/1037495391.db2.gz FVRJTWFTSNGYLG-MRXNPFEDSA-N 0 3 348.903 3.841 20 30 EHEDHN C#CCCCCCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000780545526 1037719014 /nfs/dbraw/zinc/71/90/14/1037719014.db2.gz HSQQCPIWLHZHSR-HXUWFJFHSA-N 0 3 326.484 3.914 20 30 EHEDHN C=CCNC(=O)CN[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000540415829 1037917033 /nfs/dbraw/zinc/91/70/33/1037917033.db2.gz JNCQJJCCMVSPCY-AWEZNQCLSA-N 0 3 328.843 3.960 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2coc3cc(C)c(C)cc23)CC1 ZINC000184430208 1038038971 /nfs/dbraw/zinc/03/89/71/1038038971.db2.gz DJXNMIVNACZIPU-UHFFFAOYSA-N 0 3 326.440 3.820 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540522906 1038050620 /nfs/dbraw/zinc/05/06/20/1038050620.db2.gz FWTVHBZIUQQWBY-DNVCBOLYSA-N 0 3 332.463 3.988 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000041515692 1038115285 /nfs/dbraw/zinc/11/52/85/1038115285.db2.gz PBXDPSYVIBSOIL-AWEZNQCLSA-N 0 3 327.409 3.536 20 30 EHEDHN C=CCOc1ccc(CN(C)Cc2cccc(N(C)C)c2)cc1OC ZINC000538725511 1038506865 /nfs/dbraw/zinc/50/68/65/1038506865.db2.gz ZSVQRZRCJWBTML-UHFFFAOYSA-N 0 3 340.467 3.958 20 30 EHEDHN C[C@H](C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1cccc(C#N)c1 ZINC000461934085 1038682305 /nfs/dbraw/zinc/68/23/05/1038682305.db2.gz YLDAGAQBMNOIOV-XGHQBKJUSA-N 0 3 347.462 3.613 20 30 EHEDHN CCc1ccc([C@@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000552273323 1039147805 /nfs/dbraw/zinc/14/78/05/1039147805.db2.gz CZULVWWPMJGPFK-LJQANCHMSA-N 0 3 330.435 3.758 20 30 EHEDHN N#CC(C(=O)CCSc1ccccc1F)C(=O)Nc1ccccc1 ZINC000128138139 1039171313 /nfs/dbraw/zinc/17/13/13/1039171313.db2.gz GNXVHAZDKZGEOA-CQSZACIVSA-N 0 3 342.395 3.655 20 30 EHEDHN Cc1ccc(C)c(OC[C@H](O)CN[C@H](CCC#N)c2ccccc2)c1 ZINC000553054899 1039736351 /nfs/dbraw/zinc/73/63/51/1039736351.db2.gz WTWJNYOOFNWTAZ-WOJBJXKFSA-N 0 3 338.451 3.678 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000912229843 1039758774 /nfs/dbraw/zinc/75/87/74/1039758774.db2.gz OCQDQRCQASIEPO-KRWDZBQOSA-N 0 3 333.476 3.970 20 30 EHEDHN C#CCN(Cc1cc2ccccc2[nH]c1=O)[C@H]1CCc2ccccc21 ZINC000110107330 1039795000 /nfs/dbraw/zinc/79/50/00/1039795000.db2.gz AHKOPIXQEBNMPV-NRFANRHFSA-N 0 3 328.415 3.651 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)c1c(C)cc(C#N)cc1C)c1ccco1 ZINC000899075932 1039996368 /nfs/dbraw/zinc/99/63/68/1039996368.db2.gz IFYTWWIGYZWNQS-RDJZCZTQSA-N 0 3 339.439 3.627 20 30 EHEDHN COc1cccc(OCCCN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512636997 1040366251 /nfs/dbraw/zinc/36/62/51/1040366251.db2.gz QMLVMTWKLMIOFR-CQSZACIVSA-N 0 3 328.387 3.826 20 30 EHEDHN C[C@@H](NCCc1cc(F)cc2c1OCOC2)c1ccc(C#N)cc1F ZINC000512643007 1040368790 /nfs/dbraw/zinc/36/87/90/1040368790.db2.gz UVAMNQOOCIEURG-GFCCVEGCSA-N 0 3 344.361 3.596 20 30 EHEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)cn1 ZINC000092748010 1040970127 /nfs/dbraw/zinc/97/01/27/1040970127.db2.gz JAXHBAFXAGPCDQ-CZUORRHYSA-N 0 3 342.393 3.551 20 30 EHEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000163654966 1040982671 /nfs/dbraw/zinc/98/26/71/1040982671.db2.gz PIRZMCWYMGDAQY-ZIAGYGMSSA-N 0 3 338.879 3.772 20 30 EHEDHN C=CC[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000487604746 1040985422 /nfs/dbraw/zinc/98/54/22/1040985422.db2.gz ZZXLIISIUADJMN-SFTDATJTSA-N 0 3 334.463 3.737 20 30 EHEDHN C#Cc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000899731393 1041027807 /nfs/dbraw/zinc/02/78/07/1041027807.db2.gz XNTSSONBVJNWNX-UHFFFAOYSA-N 0 3 349.503 3.619 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000660450509 1041425342 /nfs/dbraw/zinc/42/53/42/1041425342.db2.gz SGJLGANYRYJSFH-FRYIKTPZSA-N 0 3 339.483 3.715 20 30 EHEDHN COCCOc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594495417 1042101391 /nfs/dbraw/zinc/10/13/91/1042101391.db2.gz SAAMOOXFPGOVMY-UHFFFAOYSA-N 0 3 338.451 3.803 20 30 EHEDHN Cc1ccsc1[C@@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000344705225 1044311053 /nfs/dbraw/zinc/31/10/53/1044311053.db2.gz XFAMPZKFWIKYLY-QGZVFWFLSA-N 0 3 330.453 3.562 20 30 EHEDHN CN(C)[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000279704889 1044437190 /nfs/dbraw/zinc/43/71/90/1044437190.db2.gz SHJRCMAQIVTEPP-LJQANCHMSA-N 0 3 335.451 3.520 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)CCc2ccc(Cl)cc2)CC1 ZINC000172149102 1126782471 /nfs/dbraw/zinc/78/24/71/1126782471.db2.gz BNSRTLAIHBINFK-UHFFFAOYSA-N 0 3 349.906 3.564 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000179786892 1127090330 /nfs/dbraw/zinc/09/03/30/1127090330.db2.gz ALYMAAPBPHPCKC-PMACEKPBSA-N 0 3 327.472 3.562 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000179786917 1127090417 /nfs/dbraw/zinc/09/04/17/1127090417.db2.gz ALYMAAPBPHPCKC-VQTJNVASSA-N 0 3 327.472 3.562 20 30 EHEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1OC ZINC000623753837 1127117632 /nfs/dbraw/zinc/11/76/32/1127117632.db2.gz FEORMBJQDAGZEN-GOEBONIOSA-N 0 3 337.847 3.571 20 30 EHEDHN Cc1ccccc1[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(C)(C)C ZINC000180086236 1127118892 /nfs/dbraw/zinc/11/88/92/1127118892.db2.gz QTBXTJBVPXCINS-UYAOXDASSA-N 0 3 329.488 3.726 20 30 EHEDHN Cc1ccccc1CN1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000552809905 1127935444 /nfs/dbraw/zinc/93/54/44/1127935444.db2.gz ARCLQTSZBYXJLE-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN C[C@H](NCC1CCC(C#N)CC1)c1ncc(Br)cc1F ZINC000282252384 1128130579 /nfs/dbraw/zinc/13/05/79/1128130579.db2.gz JOSIIFQDLRFVRN-UNXYVOJBSA-N 0 3 340.240 3.964 20 30 EHEDHN C[C@@H](NC[C@](C)(O)c1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000765812145 1128429654 /nfs/dbraw/zinc/42/96/54/1128429654.db2.gz AFZNBRZZJVASOO-XIKOKIGWSA-N 0 3 332.806 3.909 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCC(C)(C)C ZINC000505113957 1128568223 /nfs/dbraw/zinc/56/82/23/1128568223.db2.gz LNYGAMLEFIZZNK-UHFFFAOYSA-N 0 3 329.488 3.665 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1snc(Cl)c1C#N ZINC000301504424 1128593910 /nfs/dbraw/zinc/59/39/10/1128593910.db2.gz CEGDDWKAHXNDQA-SWLSCSKDSA-N 0 3 346.887 3.991 20 30 EHEDHN COc1ccccc1[C@@H](CNc1ccc(F)cc1C#N)N1CCCC1 ZINC000301498588 1128594082 /nfs/dbraw/zinc/59/40/82/1128594082.db2.gz CMQSHCIFEDHMAA-LJQANCHMSA-N 0 3 339.414 3.955 20 30 EHEDHN N#Cc1cccc(OC2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000111226363 1128852869 /nfs/dbraw/zinc/85/28/69/1128852869.db2.gz OTMJBSKAQIQQLG-UHFFFAOYSA-N 0 3 334.419 3.537 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000111741811 1128884693 /nfs/dbraw/zinc/88/46/93/1128884693.db2.gz MZWMMLIBUYGRNF-INIZCTEOSA-N 0 3 336.439 3.509 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)C2(Br)CC2)c1 ZINC000925416670 1120932654 /nfs/dbraw/zinc/93/26/54/1120932654.db2.gz DNNHBFOQAJNONJ-OCCSQVGLSA-N 0 3 337.261 3.773 20 30 EHEDHN CC[C@H](C/N=C\c1cc(OC)ccc1O)N1CCc2ccccc2C1 ZINC000914702038 1120956298 /nfs/dbraw/zinc/95/62/98/1120956298.db2.gz VKRKFNAKJYECFD-UUMRFZBWSA-N 0 3 338.451 3.657 20 30 EHEDHN C=CCC(C)(C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000495365993 1121136989 /nfs/dbraw/zinc/13/69/89/1121136989.db2.gz RNDSRCGBPIEYRA-UHFFFAOYSA-N 0 3 329.488 3.758 20 30 EHEDHN CC(C)[C@H]1C[C@@H](NCc2cc(C#N)ccc2Br)CCO1 ZINC000921959417 1128973730 /nfs/dbraw/zinc/97/37/30/1128973730.db2.gz FYILWSBTXLTIRI-GOEBONIOSA-N 0 3 337.261 3.614 20 30 EHEDHN C#Cc1cccc(NC(=O)NC[C@H](CC)N2CCc3ccccc3C2)c1 ZINC000915339665 1121346626 /nfs/dbraw/zinc/34/66/26/1121346626.db2.gz COSHXAKMVYYQAR-NRFANRHFSA-N 0 3 347.462 3.626 20 30 EHEDHN C[C@H](CC(=O)N(C)c1ccccc1)NC1(c2cccc(C#N)c2)CC1 ZINC000272311815 1121517315 /nfs/dbraw/zinc/51/73/15/1121517315.db2.gz TYVZQFSRORJMFI-MRXNPFEDSA-N 0 3 333.435 3.579 20 30 EHEDHN C=CCN1CCC(NC(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000171727931 1121528049 /nfs/dbraw/zinc/52/80/49/1121528049.db2.gz KTNWANZZSXLVAN-UHFFFAOYSA-N 0 3 341.282 3.693 20 30 EHEDHN C=CCSc1nc2ccccc2n1CN1CCN(C)C[C@H]1C(C)C ZINC000153629863 1121533545 /nfs/dbraw/zinc/53/35/45/1121533545.db2.gz GTSFEIYNVUJSQV-SFHVURJKSA-N 0 3 344.528 3.544 20 30 EHEDHN CC(C)OCCCCNCc1cc(C#N)ccc1Br ZINC000921986477 1129000805 /nfs/dbraw/zinc/00/08/05/1129000805.db2.gz WQQBKTMZOOHNEQ-UHFFFAOYSA-N 0 3 325.250 3.616 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)ccc2SC)CC1 ZINC000171739205 1121672353 /nfs/dbraw/zinc/67/23/53/1121672353.db2.gz RWKLDWYOKZYTGW-UHFFFAOYSA-N 0 3 339.892 3.834 20 30 EHEDHN CCCC1(CNCC2(C#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000496640097 1122138980 /nfs/dbraw/zinc/13/89/80/1122138980.db2.gz LNGBJHWKDMZWQW-UHFFFAOYSA-N 0 3 335.492 3.697 20 30 EHEDHN C#CCCOc1ccc(CNCc2cccc(NC(=O)OC)c2)cc1 ZINC000496907492 1122209712 /nfs/dbraw/zinc/20/97/12/1122209712.db2.gz JSDHVKZUXSHUDX-UHFFFAOYSA-N 0 3 338.407 3.557 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)COc1ccc(C(C)C)c(C)c1 ZINC000916875076 1122377205 /nfs/dbraw/zinc/37/72/05/1122377205.db2.gz QXYJBQPRIJXCMN-GOSISDBHSA-N 0 3 344.455 3.513 20 30 EHEDHN Cc1nc(C(C)C)sc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000916900709 1122382010 /nfs/dbraw/zinc/38/20/10/1122382010.db2.gz VKARDFIOYDGRKR-ZDUSSCGKSA-N 0 3 327.409 3.536 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccsc1 ZINC000916903367 1122383266 /nfs/dbraw/zinc/38/32/66/1122383266.db2.gz MVJCLOLNNVIGFC-OAHLLOKOSA-N 0 3 326.421 3.834 20 30 EHEDHN C[C@@H](C1CC1)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100137 1122499130 /nfs/dbraw/zinc/49/91/30/1122499130.db2.gz JJESVWDJTQLPSO-WFASDCNBSA-N 0 3 339.464 3.735 20 30 EHEDHN CC(C)CN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)C ZINC000917100502 1122499385 /nfs/dbraw/zinc/49/93/85/1122499385.db2.gz NYQWUFVRDXVVAV-CQSZACIVSA-N 0 3 329.469 3.839 20 30 EHEDHN N#Cc1cnn2cc(CN[C@H](c3ccccc3)C3CCCC3)cnc12 ZINC000556224854 1122880943 /nfs/dbraw/zinc/88/09/43/1122880943.db2.gz QIETUJGYIXJPTG-LJQANCHMSA-N 0 3 331.423 3.622 20 30 EHEDHN Cc1nc(CNCC2CCC(C#N)CC2)sc1Br ZINC000922095311 1129096398 /nfs/dbraw/zinc/09/63/98/1129096398.db2.gz ATLCTNVJJORALV-UHFFFAOYSA-N 0 3 328.279 3.634 20 30 EHEDHN Cc1c(Cl)cccc1N1CCCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000556628752 1123065453 /nfs/dbraw/zinc/06/54/53/1123065453.db2.gz DAZZLCPOIGAKIF-UHFFFAOYSA-N 0 3 342.874 3.571 20 30 EHEDHN COC(=O)c1cc2ccccc2c(CN(CCC#N)CC(C)C)c1O ZINC000919945003 1123241616 /nfs/dbraw/zinc/24/16/16/1123241616.db2.gz TWAIUPHBSBQONL-UHFFFAOYSA-N 0 3 340.423 3.704 20 30 EHEDHN CCc1ccc([C@H](C/N=C\c2cc(OC)ccc2O)N(C)C)cc1 ZINC000920945243 1123441372 /nfs/dbraw/zinc/44/13/72/1123441372.db2.gz TVWIATDIOLACPG-IAFWPLRWSA-N 0 3 326.440 3.685 20 30 EHEDHN N#Cc1ccc(NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000078329597 1129131930 /nfs/dbraw/zinc/13/19/30/1129131930.db2.gz CFQKWXHLRAMHFJ-INIZCTEOSA-N 0 3 342.424 3.777 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2oc(C)cc2C)cc1Cl ZINC000175112893 1123597417 /nfs/dbraw/zinc/59/74/17/1123597417.db2.gz UZVUJGWSNRAYFR-LBPRGKRZSA-N 0 3 346.770 3.520 20 30 EHEDHN Cc1ccc2oc(N3CCCN(Cc4ccc(C#N)cc4)CC3)nc2c1 ZINC000609630854 1123635027 /nfs/dbraw/zinc/63/50/27/1123635027.db2.gz DSMSTWJWUVSANV-UHFFFAOYSA-N 0 3 346.434 3.720 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccccc2Cn2cccn2)cc1 ZINC000237597523 1123785739 /nfs/dbraw/zinc/78/57/39/1123785739.db2.gz HELWCSWYPNAVRX-QGZVFWFLSA-N 0 3 346.434 3.512 20 30 EHEDHN CC1=CCC[C@H](C)[C@@H]1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000615504099 1123813364 /nfs/dbraw/zinc/81/33/64/1123813364.db2.gz ILXPZDDBKLEJBZ-DOTOQJQBSA-N 0 3 340.471 3.538 20 30 EHEDHN C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)S1 ZINC000092540377 1125126505 /nfs/dbraw/zinc/12/65/05/1125126505.db2.gz BHWNWFSNHURYIR-IYBDPMFKSA-N 0 3 340.496 3.790 20 30 EHEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@H]1c1cccc2ccccc21)C1CC1 ZINC000253357411 1125144395 /nfs/dbraw/zinc/14/43/95/1125144395.db2.gz ADUONHYBEGFUTH-UNMCSNQZSA-N 0 3 347.462 3.785 20 30 EHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000618805311 1125207476 /nfs/dbraw/zinc/20/74/76/1125207476.db2.gz GFAQXUVAXIVKDK-RBZFPXEDSA-N 0 3 331.419 3.781 20 30 EHEDHN C[C@@H](c1ccco1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000069067387 1129420656 /nfs/dbraw/zinc/42/06/56/1129420656.db2.gz PTHGUKOACXWYSK-LBPRGKRZSA-N 0 3 343.452 3.723 20 30 EHEDHN COc1cc(CN2CC[C@H](COCc3ccccc3)C2)ccc1C#N ZINC000282249033 1129725205 /nfs/dbraw/zinc/72/52/05/1129725205.db2.gz JKGKVSHKBLSKGD-IBGZPJMESA-N 0 3 336.435 3.606 20 30 EHEDHN C=CCOc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000509123969 1129776868 /nfs/dbraw/zinc/77/68/68/1129776868.db2.gz MDIDILHNSVWQOV-UHFFFAOYSA-N 0 3 347.462 3.835 20 30 EHEDHN C=CCN1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000429203268 1129965035 /nfs/dbraw/zinc/96/50/35/1129965035.db2.gz LKOFUIQBVRLAKC-UHFFFAOYSA-N 0 3 330.215 3.964 20 30 EHEDHN C=CC[C@H]1CCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)C1 ZINC000625703508 1129986505 /nfs/dbraw/zinc/98/65/05/1129986505.db2.gz LLQCEGXAGUCEPG-ZDUSSCGKSA-N 0 3 330.453 3.922 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000172398309 1130129707 /nfs/dbraw/zinc/12/97/07/1130129707.db2.gz LHXYLWQSMNIUTG-HNNXBMFYSA-N 0 3 343.471 3.951 20 30 EHEDHN C[C@@H](NCc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000245885437 1130326803 /nfs/dbraw/zinc/32/68/03/1130326803.db2.gz LJPXXIFCOIVWDN-ZWKOTPCHSA-N 0 3 349.478 3.630 20 30 EHEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000730122833 1130677909 /nfs/dbraw/zinc/67/79/09/1130677909.db2.gz VHRUBXFKYNIZDH-WMZOPIPTSA-N 0 3 335.536 3.789 20 30 EHEDHN COCCN(Cc1ccc(OCC#N)cc1)Cc1ccc(C)cc1C ZINC000731212072 1130777597 /nfs/dbraw/zinc/77/75/97/1130777597.db2.gz QTBZFZOHJGCJRJ-UHFFFAOYSA-N 0 3 338.451 3.854 20 30 EHEDHN C#Cc1cccc(NC(=S)Nc2cnccc2N2CCCCC2)c1 ZINC000733087169 1130995774 /nfs/dbraw/zinc/99/57/74/1130995774.db2.gz PJTIAILGDJVOHE-UHFFFAOYSA-N 0 3 336.464 3.862 20 30 EHEDHN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000733678638 1131067178 /nfs/dbraw/zinc/06/71/78/1131067178.db2.gz FOADDTGXNPWSBS-PBFPGSCMSA-N 0 3 348.830 3.583 20 30 EHEDHN C[C@H]1CCCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000734001369 1131181755 /nfs/dbraw/zinc/18/17/55/1131181755.db2.gz CDMHIKWGOLZLRY-UONOGXRCSA-N 0 3 327.453 3.737 20 30 EHEDHN CCOCCC[N@@H+]1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000734366614 1131225792 /nfs/dbraw/zinc/22/57/92/1131225792.db2.gz ZJYIKTKLOQUKHM-FGLKXHMRSA-N 0 3 338.879 3.602 20 30 EHEDHN CCOCCC[N@H+]1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000734366614 1131225794 /nfs/dbraw/zinc/22/57/94/1131225794.db2.gz ZJYIKTKLOQUKHM-FGLKXHMRSA-N 0 3 338.879 3.602 20 30 EHEDHN COc1ccc(CCNN=Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000737440412 1131633236 /nfs/dbraw/zinc/63/32/36/1131633236.db2.gz HYAMTAFTTTYATJ-UHFFFAOYSA-N 0 3 337.467 3.852 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCC(F)(F)F ZINC000744027909 1132006936 /nfs/dbraw/zinc/00/69/36/1132006936.db2.gz CLGOHGXBTRQQSV-ZDUSSCGKSA-N 0 3 340.345 3.801 20 30 EHEDHN CC(=O)N1CC[C@@H](N(Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)C1 ZINC001169560614 1132786765 /nfs/dbraw/zinc/78/67/65/1132786765.db2.gz OWEATZNIMAOPBK-VGOFRKELSA-N 0 3 347.462 3.742 20 30 EHEDHN COC(=O)Nc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC001177282831 1133052268 /nfs/dbraw/zinc/05/22/68/1133052268.db2.gz NQRRKQAODIHPEK-UHFFFAOYSA-N 0 3 337.423 3.956 20 30 EHEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(CCN(C)C)c1ccccc1 ZINC000767921111 1133068459 /nfs/dbraw/zinc/06/84/59/1133068459.db2.gz UKRGBHFSOPNHCT-GOSISDBHSA-N 0 3 333.476 3.552 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(-c2ccc(F)cc2)no1 ZINC001177905284 1133111032 /nfs/dbraw/zinc/11/10/32/1133111032.db2.gz XRMDLLIJINAXAS-LBPRGKRZSA-N 0 3 341.367 3.863 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CC[C@H](C)SC ZINC000773768281 1133194647 /nfs/dbraw/zinc/19/46/47/1133194647.db2.gz FFMYQPNKOBGBIH-BBRMVZONSA-N 0 3 346.496 3.990 20 30 EHEDHN C#CCOc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000769326327 1133263001 /nfs/dbraw/zinc/26/30/01/1133263001.db2.gz JHTNQMXSMIJDPR-UHFFFAOYSA-N 0 3 346.430 3.614 20 30 EHEDHN CSc1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1C#N ZINC001179583225 1133265731 /nfs/dbraw/zinc/26/57/31/1133265731.db2.gz CJPLHFOCNVRDGA-UHFFFAOYSA-N 0 3 334.448 3.960 20 30 EHEDHN CCN(CC)CC(=O)N(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001180389957 1133363872 /nfs/dbraw/zinc/36/38/72/1133363872.db2.gz SAOGIVZOFUUMGY-SFHVURJKSA-N 0 3 349.478 3.990 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(N(C)C)c(F)c2)n1 ZINC000770140875 1133392410 /nfs/dbraw/zinc/39/24/10/1133392410.db2.gz ILIIGRNSZXSIIE-LBPRGKRZSA-N 0 3 331.416 3.962 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC(F)(F)F)cc1 ZINC000771262776 1133532991 /nfs/dbraw/zinc/53/29/91/1133532991.db2.gz XUIWNCYQGHKYGJ-ZDUSSCGKSA-N 0 3 326.318 3.629 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2cc(F)ccc2s1)c1ccccc1 ZINC000772660842 1133709462 /nfs/dbraw/zinc/70/94/62/1133709462.db2.gz XSYUUNDEQOASKQ-AWEZNQCLSA-N 0 3 339.395 3.748 20 30 EHEDHN C#CCOc1ccccc1-c1noc([C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000785584883 1133723070 /nfs/dbraw/zinc/72/30/70/1133723070.db2.gz QZPKHUKVINEBDI-QLFBSQMISA-N 0 3 325.412 3.682 20 30 EHEDHN CCOCc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000785616897 1133732798 /nfs/dbraw/zinc/73/27/98/1133732798.db2.gz YHCFSTGDVJLWEA-FQEVSTJZSA-N 0 3 336.435 3.880 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc(F)c2ccccc21 ZINC001183508032 1133820011 /nfs/dbraw/zinc/82/00/11/1133820011.db2.gz IUNLNSUKSUTTAD-CVEARBPZSA-N 0 3 340.442 3.849 20 30 EHEDHN N#CC(C(=O)CCC1CCCCC1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786572265 1133875312 /nfs/dbraw/zinc/87/53/12/1133875312.db2.gz WUXXDMDQELAHKF-OAHLLOKOSA-N 0 3 348.393 3.650 20 30 EHEDHN CC#CCCCC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001184436216 1133940666 /nfs/dbraw/zinc/94/06/66/1133940666.db2.gz GUVJUQIXMYHEGX-UHFFFAOYSA-N 0 3 334.463 3.675 20 30 EHEDHN C[C@@H]1CCCC[C@H]1CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074540 1133945918 /nfs/dbraw/zinc/94/59/18/1133945918.db2.gz ZSDKZTMDKGGREB-BPQIPLTHSA-N 0 3 326.440 3.570 20 30 EHEDHN C#CCN(CCOCC(F)(F)C(F)F)[C@H]1CCc2ccccc21 ZINC000787187520 1133970987 /nfs/dbraw/zinc/97/09/87/1133970987.db2.gz VIUQUXRHPHXYCG-HNNXBMFYSA-N 0 3 329.337 3.526 20 30 EHEDHN N#Cc1ccc(CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)nc1 ZINC000788021980 1134074415 /nfs/dbraw/zinc/07/44/15/1134074415.db2.gz JRXDNOZNDMGXKX-QZTJIDSGSA-N 0 3 341.480 3.883 20 30 EHEDHN Cc1cc(CN2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774877536 1134084200 /nfs/dbraw/zinc/08/42/00/1134084200.db2.gz KGXAQAHHFQVMEG-KRWDZBQOSA-N 0 3 343.471 3.556 20 30 EHEDHN N#Cc1cccc(Oc2ccnc(NC[C@H]3CCCCN3C3CC3)n2)c1 ZINC001186373720 1134211027 /nfs/dbraw/zinc/21/10/27/1134211027.db2.gz QHONIPRSSHZMIV-QGZVFWFLSA-N 0 3 349.438 3.569 20 30 EHEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)Nc1ccccc1Cl ZINC000775226687 1134548639 /nfs/dbraw/zinc/54/86/39/1134548639.db2.gz IEPBUKUUSONGQL-NSHDSACASA-N 0 3 348.736 3.508 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccc(C)o2)cc1 ZINC000775227015 1134548717 /nfs/dbraw/zinc/54/87/17/1134548717.db2.gz MDDBTAOGCSFTCZ-FZKQIMNGSA-N 0 3 338.407 3.992 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(N2CCCC2=O)cc1 ZINC000775361948 1134666298 /nfs/dbraw/zinc/66/62/98/1134666298.db2.gz FHYCWQBEBRGJAJ-OAQYLSRUSA-N 0 3 345.446 3.852 20 30 EHEDHN N#CC1(c2ccccc2)CCC(N2CCN(c3ccccn3)CC2)CC1 ZINC001170376574 1134766626 /nfs/dbraw/zinc/76/66/26/1134766626.db2.gz QHUHOFKJFMJLRT-UHFFFAOYSA-N 0 3 346.478 3.608 20 30 EHEDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCOc1ccccc1C#N ZINC001193991536 1135218793 /nfs/dbraw/zinc/21/87/93/1135218793.db2.gz WVEUXAGRFGQOCG-GOSISDBHSA-N 0 3 344.842 3.910 20 30 EHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@](C)(O)c1ccc(F)cc1 ZINC001194268729 1135253931 /nfs/dbraw/zinc/25/39/31/1135253931.db2.gz IZQHLZOUEQUICG-HXUWFJFHSA-N 0 3 345.462 3.889 20 30 EHEDHN C=CC[C@@H]1CCCN(CC(=O)NCc2ccccc2COCCC)C1 ZINC001195946799 1135498566 /nfs/dbraw/zinc/49/85/66/1135498566.db2.gz NVYBJVGAGJJJCC-GOSISDBHSA-N 0 3 344.499 3.518 20 30 EHEDHN C=CC[C@H]1CCN(CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C1 ZINC001196441295 1135557497 /nfs/dbraw/zinc/55/74/97/1135557497.db2.gz KZQRLDSJJSHHEM-CVEARBPZSA-N 0 3 326.440 3.850 20 30 EHEDHN C#Cc1ccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000809547833 1135854144 /nfs/dbraw/zinc/85/41/44/1135854144.db2.gz VMMHKWCGZVUPJA-UHFFFAOYSA-N 0 3 344.458 3.725 20 30 EHEDHN C=CCN(Cc1cc(OC)c(OCC(F)F)c(OC)c1)C(C)C ZINC000809547626 1135855405 /nfs/dbraw/zinc/85/54/05/1135855405.db2.gz SRSJTXZOCZGSCR-UHFFFAOYSA-N 0 3 329.387 3.744 20 30 EHEDHN C#Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC000809586856 1135858500 /nfs/dbraw/zinc/85/85/00/1135858500.db2.gz LIWJGNKPLZTTMK-MOPGFXCFSA-N 0 3 340.467 3.642 20 30 EHEDHN C[C@@](C#N)(NC(=O)CN[C@@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000776008180 1135919221 /nfs/dbraw/zinc/91/92/21/1135919221.db2.gz UVTZSWOSHTUGPE-SFTDATJTSA-N 0 3 339.483 3.706 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)C1CCCCC1 ZINC000776007261 1135919515 /nfs/dbraw/zinc/91/95/15/1135919515.db2.gz QZIIWFOVFVSUME-NHCUHLMSSA-N 0 3 341.499 3.952 20 30 EHEDHN N#Cc1ccc(CNCc2ccc3c(c2)CCO3)c(C(F)(F)F)c1 ZINC000810141440 1135927372 /nfs/dbraw/zinc/92/73/72/1135927372.db2.gz XGNGRVOPBMNAFF-UHFFFAOYSA-N 0 3 332.325 3.802 20 30 EHEDHN C[C@]1(COC(=O)c2cccc(C#N)n2)CCCCN1Cc1ccccc1 ZINC000810665616 1135990879 /nfs/dbraw/zinc/99/08/79/1135990879.db2.gz DKDRCXJSDWYLDD-OAQYLSRUSA-N 0 3 349.434 3.555 20 30 EHEDHN CCCCCCCCCCS(=O)(=O)N[C@@H]1CCCN(C)CC1 ZINC001201839277 1136069815 /nfs/dbraw/zinc/06/98/15/1136069815.db2.gz UKFROVGBERMFDC-QGZVFWFLSA-N 0 3 332.554 3.531 20 30 EHEDHN C=CCc1cc(OCC)cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811776110 1136134405 /nfs/dbraw/zinc/13/44/05/1136134405.db2.gz ABQPKNMSNIPOQN-ICSRJNTNSA-N 0 3 345.483 3.909 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(C2(C#N)CC2)cn1 ZINC001170680557 1136220783 /nfs/dbraw/zinc/22/07/83/1136220783.db2.gz YLUUQONXKJDRRJ-AWEZNQCLSA-N 0 3 329.407 3.509 20 30 EHEDHN CCOC1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCC1 ZINC000813215904 1136303387 /nfs/dbraw/zinc/30/33/87/1136303387.db2.gz CSSBRSZUPFLXHG-GFCCVEGCSA-N 0 3 326.318 3.626 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCc4cc(F)ccc43)nc21 ZINC000850850276 1136311645 /nfs/dbraw/zinc/31/16/45/1136311645.db2.gz UANFAVGPUIYANR-HZPDHXFCSA-N 0 3 333.366 3.917 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CCc4cc(F)ccc43)[nH]c21 ZINC000850850276 1136311648 /nfs/dbraw/zinc/31/16/48/1136311648.db2.gz UANFAVGPUIYANR-HZPDHXFCSA-N 0 3 333.366 3.917 20 30 EHEDHN C#CCN(C(=O)CCCc1ccc2ccccc2c1)C1CCN(C)CC1 ZINC001134044035 1136392672 /nfs/dbraw/zinc/39/26/72/1136392672.db2.gz RNBCVSJFZPNCPK-UHFFFAOYSA-N 0 3 348.490 3.719 20 30 EHEDHN C=CC[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000852411965 1136454929 /nfs/dbraw/zinc/45/49/29/1136454929.db2.gz XENYYPBQGOWFON-CABCVRRESA-N 0 3 339.464 3.761 20 30 EHEDHN CC(C)(C)C1CCN(N=Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000853337451 1136526922 /nfs/dbraw/zinc/52/69/22/1136526922.db2.gz JDXJSXGGRZJELS-UHFFFAOYSA-N 0 3 343.515 3.740 20 30 EHEDHN CCN(CCN[C@@H](C)c1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000776734766 1136613440 /nfs/dbraw/zinc/61/34/40/1136613440.db2.gz BWCWOYXVKJWZHO-ZDUSSCGKSA-N 0 3 335.423 3.605 20 30 EHEDHN C=C1CCC(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC001135450689 1136686741 /nfs/dbraw/zinc/68/67/41/1136686741.db2.gz JCAYBAGJFTUXIC-FQEVSTJZSA-N 0 3 342.483 3.695 20 30 EHEDHN C=CCOCCCC(=O)O[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000816471370 1136719231 /nfs/dbraw/zinc/71/92/31/1136719231.db2.gz CMMRXMHKMQMFEI-MJGOQNOKSA-N 0 3 331.456 3.566 20 30 EHEDHN CN(CCC#N)c1ccc(CN2CC(Cc3ccsc3)C2)cc1 ZINC000857067703 1136840795 /nfs/dbraw/zinc/84/07/95/1136840795.db2.gz FQQCOCRIKXPURM-UHFFFAOYSA-N 0 3 325.481 3.772 20 30 EHEDHN N#Cc1ccc(OC2CCN(CC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822606215 1137066259 /nfs/dbraw/zinc/06/62/59/1137066259.db2.gz KXVRQMMOGLHQGN-AWEZNQCLSA-N 0 3 339.266 3.985 20 30 EHEDHN CN(CCN(C)C(=O)OC(C)(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000825450422 1137177959 /nfs/dbraw/zinc/17/79/59/1137177959.db2.gz FTCJNQCEUDGALO-UHFFFAOYSA-N 0 3 343.471 3.540 20 30 EHEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370260 1137212958 /nfs/dbraw/zinc/21/29/58/1137212958.db2.gz GKPZOLWYBLBRNF-LIRRHRJNSA-N 0 3 339.395 3.501 20 30 EHEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000844473613 1137227385 /nfs/dbraw/zinc/22/73/85/1137227385.db2.gz KYEFPNHZSPVLLM-LRSLUSHPSA-N 0 3 348.446 3.586 20 30 EHEDHN C=CCC(C)(C)C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001144076969 1137236823 /nfs/dbraw/zinc/23/68/23/1137236823.db2.gz SLIRJXZDEXNKJP-UHFFFAOYSA-N 0 3 328.500 3.660 20 30 EHEDHN C=C(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001144407671 1137285028 /nfs/dbraw/zinc/28/50/28/1137285028.db2.gz CYHQGQNQCPJUHC-NRFANRHFSA-N 0 3 334.463 3.739 20 30 EHEDHN CCn1ccc(CC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)n1 ZINC000845451474 1137294230 /nfs/dbraw/zinc/29/42/30/1137294230.db2.gz NNZMOSUIWDFKDZ-LBPRGKRZSA-N 0 3 344.827 3.585 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc(C3(C)OCCO3)cc2)cc1 ZINC000865670465 1137303625 /nfs/dbraw/zinc/30/36/25/1137303625.db2.gz YPHSTMGELYTQFH-UHFFFAOYSA-N 0 3 339.435 3.761 20 30 EHEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ccsc1Br)C2 ZINC000865848737 1137316382 /nfs/dbraw/zinc/31/63/82/1137316382.db2.gz VNEHTDFYLRWVKC-AWEZNQCLSA-N 0 3 333.254 3.639 20 30 EHEDHN N#Cc1ccccc1N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000866448818 1137355688 /nfs/dbraw/zinc/35/56/88/1137355688.db2.gz MUPWXBZYMWGCGU-SFHVURJKSA-N 0 3 333.435 3.510 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(OCC#N)cc1 ZINC000772960699 1137386050 /nfs/dbraw/zinc/38/60/50/1137386050.db2.gz TZKUBTNZLZCYLZ-HUUCEWRRSA-N 0 3 349.434 3.885 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cnccc2C)ccc1OC ZINC000772980466 1137406495 /nfs/dbraw/zinc/40/64/95/1137406495.db2.gz OYUXRVPGQZVPMP-NVXWUHKLSA-N 0 3 339.439 3.930 20 30 EHEDHN C#CCOc1ccccc1CN[C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000772988978 1137422914 /nfs/dbraw/zinc/42/29/14/1137422914.db2.gz VGSGLKYTDHZNCQ-KRWDZBQOSA-N 0 3 336.435 3.514 20 30 EHEDHN C=CCOc1ccccc1CN[C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348115704 1137442241 /nfs/dbraw/zinc/44/22/41/1137442241.db2.gz UYLXTUIDWRUMBT-MRXNPFEDSA-N 0 3 334.423 3.683 20 30 EHEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(CC#N)cc1)c1ccco1 ZINC000348219745 1137453339 /nfs/dbraw/zinc/45/33/39/1137453339.db2.gz DGELZUZAWNBCTI-RHSMWYFYSA-N 0 3 340.427 3.597 20 30 EHEDHN CN1CCCC[C@@H]1c1ccc(NCCOc2ccc(C#N)cc2)nc1 ZINC001171485124 1137491013 /nfs/dbraw/zinc/49/10/13/1137491013.db2.gz BVWWDIWAQGKMPF-LJQANCHMSA-N 0 3 336.439 3.601 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC001172309978 1137546041 /nfs/dbraw/zinc/54/60/41/1137546041.db2.gz YVZJGSIFBLUBSI-MUPIXQSSSA-N 0 3 345.490 3.820 20 30 EHEDHN CCCCCCC[C@H](CC)n1nc(C(=O)NC(C)C)c2c1CCNC2 ZINC001172356175 1137554336 /nfs/dbraw/zinc/55/43/36/1137554336.db2.gz UVSJXNXTFYJXHK-INIZCTEOSA-N 0 3 348.535 3.979 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3csc(C4CC4)n3)nc21 ZINC000873505698 1137601154 /nfs/dbraw/zinc/60/11/54/1137601154.db2.gz WGDLWIZPQHTSJH-CYBMUJFWSA-N 0 3 336.420 3.624 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)Cc3csc(C4CC4)n3)[nH]c21 ZINC000873505698 1137601155 /nfs/dbraw/zinc/60/11/55/1137601155.db2.gz WGDLWIZPQHTSJH-CYBMUJFWSA-N 0 3 336.420 3.624 20 30 EHEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3ccc4nccnc4c3)C2)cc1 ZINC001137092566 1137637252 /nfs/dbraw/zinc/63/72/52/1137637252.db2.gz YMQBUNWUKUDWSU-LJQANCHMSA-N 0 3 344.418 3.545 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000876585852 1137656318 /nfs/dbraw/zinc/65/63/18/1137656318.db2.gz XVBOFIJBLJXWFD-GOSISDBHSA-N 0 3 328.843 3.801 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 ZINC000876611675 1137657113 /nfs/dbraw/zinc/65/71/13/1137657113.db2.gz NVHGDNYFXHRAMI-CYBMUJFWSA-N 0 3 335.662 3.812 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000876683937 1137659006 /nfs/dbraw/zinc/65/90/06/1137659006.db2.gz YVOJNHITXAEXGT-RTBURBONSA-N 0 3 342.870 3.599 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000876879799 1137664390 /nfs/dbraw/zinc/66/43/90/1137664390.db2.gz COPAYICBPZTLTI-HNNXBMFYSA-N 0 3 327.255 3.516 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000876875751 1137664472 /nfs/dbraw/zinc/66/44/72/1137664472.db2.gz ZEIWEHMLCDLXHQ-RNCFNFMXSA-N 0 3 335.662 3.983 20 30 EHEDHN C=CCc1cc(CNC[C@H]2CC2(Cl)Cl)cc(OC)c1OC ZINC000877021530 1137667804 /nfs/dbraw/zinc/66/78/04/1137667804.db2.gz FQUINDXIFDITNE-CYBMUJFWSA-N 0 3 330.255 3.716 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877020106 1137667840 /nfs/dbraw/zinc/66/78/40/1137667840.db2.gz KXNVPPZHWOALKQ-KDOFPFPSSA-N 0 3 340.858 3.532 20 30 EHEDHN COc1cccc(C(C)(C)CNCc2cc(C#N)cnc2Cl)c1 ZINC000877112482 1137670447 /nfs/dbraw/zinc/67/04/47/1137670447.db2.gz WEQFKNZSHASZDG-UHFFFAOYSA-N 0 3 329.831 3.683 20 30 EHEDHN CCCO[C@@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878088045 1137701879 /nfs/dbraw/zinc/70/18/79/1137701879.db2.gz FTEVADJAHPYFFW-RTWAWAEBSA-N 0 3 342.483 3.708 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499026 1137749318 /nfs/dbraw/zinc/74/93/18/1137749318.db2.gz HADSROZLJOIJHT-LJQANCHMSA-N 0 3 346.478 3.867 20 30 EHEDHN C=C(C)CN1CCC(Nc2nccc(Oc3cccc(C#N)c3)n2)CC1 ZINC000881946528 1137817849 /nfs/dbraw/zinc/81/78/49/1137817849.db2.gz OVNFBMLMWWDECX-UHFFFAOYSA-N 0 3 349.438 3.593 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cc(C)sc2C)CC1 ZINC000106259127 1137883039 /nfs/dbraw/zinc/88/30/39/1137883039.db2.gz PDSGYHGXHZJYAZ-AWEZNQCLSA-N 0 3 335.517 3.766 20 30 EHEDHN Cc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000106878802 1137884788 /nfs/dbraw/zinc/88/47/88/1137884788.db2.gz GIRZJHKSOBBAIM-CYBMUJFWSA-N 0 3 342.468 3.653 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000118394432 1137933632 /nfs/dbraw/zinc/93/36/32/1137933632.db2.gz ADAIGVRGGNMCMA-CQSZACIVSA-N 0 3 339.464 3.575 20 30 EHEDHN N#Cc1cc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)ccc1F ZINC000134807767 1137960961 /nfs/dbraw/zinc/96/09/61/1137960961.db2.gz YWSDAUXDVWXQGV-QUCCMNQESA-N 0 3 342.389 3.925 20 30 EHEDHN CCOc1ccc(C2=CCN(C[C@H](O)CC3(C#N)CCC3)CC2)cc1 ZINC000886100759 1138046645 /nfs/dbraw/zinc/04/66/45/1138046645.db2.gz WZGRAZUWOVBQGC-LJQANCHMSA-N 0 3 340.467 3.619 20 30 EHEDHN N#CC1(C[C@@H](O)CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCC1 ZINC000886109028 1138047294 /nfs/dbraw/zinc/04/72/94/1138047294.db2.gz AMSKFXZCMXONML-CABCVRRESA-N 0 3 344.352 3.854 20 30 EHEDHN CCOc1ccc(C[NH2+]Cc2ccc(SC)c(C#N)c2)c([O-])c1 ZINC000886278556 1138063541 /nfs/dbraw/zinc/06/35/41/1138063541.db2.gz CLNSDNPLEQYDAS-UHFFFAOYSA-N 0 3 328.437 3.674 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000886764549 1138135509 /nfs/dbraw/zinc/13/55/09/1138135509.db2.gz VYPYLGRXMZJBSI-UHFFFAOYSA-N 0 3 338.451 3.564 20 30 EHEDHN CN(CC(C)(C)CCC#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000093360032 1138236537 /nfs/dbraw/zinc/23/65/37/1138236537.db2.gz XEJIYNAKVCTZOW-INIZCTEOSA-N 0 3 333.863 3.707 20 30 EHEDHN N#CC1(CCCN2CC(c3nc4ccccc4s3)C2)CCOCC1 ZINC000337197507 1138492526 /nfs/dbraw/zinc/49/25/26/1138492526.db2.gz YPVIEBDHWWHNLJ-UHFFFAOYSA-N 0 3 341.480 3.796 20 30 EHEDHN N#CCOc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000264543029 1138552969 /nfs/dbraw/zinc/55/29/69/1138552969.db2.gz ICYGVJVIVRJVIF-UHFFFAOYSA-N 0 3 340.398 3.524 20 30 EHEDHN COc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1C#N ZINC000135186366 1138732492 /nfs/dbraw/zinc/73/24/92/1138732492.db2.gz YKTQTEKOOWGNRV-UHFFFAOYSA-N 0 3 346.434 3.823 20 30 EHEDHN C=CCCC[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000889931746 1139290673 /nfs/dbraw/zinc/29/06/73/1139290673.db2.gz GOCRISMRMHHRRJ-WOJBJXKFSA-N 0 3 339.483 3.740 20 30 EHEDHN C[C@H]1CC[C@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000429570367 1139310017 /nfs/dbraw/zinc/31/00/17/1139310017.db2.gz ONOMCPGSEIGDEU-HOCLYGCPSA-N 0 3 333.863 3.707 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)CC1 ZINC000174777084 1139441432 /nfs/dbraw/zinc/44/14/32/1139441432.db2.gz WMWAYTFHUNIEAH-MAUKXSAKSA-N 0 3 345.487 3.721 20 30 EHEDHN Cc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1[N+](=O)[O-] ZINC000180548498 1139844025 /nfs/dbraw/zinc/84/40/25/1139844025.db2.gz VYSRNGCCDFXCRK-AWEZNQCLSA-N 0 3 325.368 3.656 20 30 EHEDHN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)cc2)c(C#N)c1C ZINC000182345572 1139966886 /nfs/dbraw/zinc/96/68/86/1139966886.db2.gz VIYRRVSFONKIAM-ZIAGYGMSSA-N 0 3 325.412 3.754 20 30 EHEDHN COC(=O)COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000185674888 1140162345 /nfs/dbraw/zinc/16/23/45/1140162345.db2.gz XJXKYHABZQGKHR-LSDHHAIUSA-N 0 3 338.407 3.522 20 30 EHEDHN C=CCOc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1OC ZINC000188254833 1140288802 /nfs/dbraw/zinc/28/88/02/1140288802.db2.gz VCEVHYPOMDQPBO-GOSISDBHSA-N 0 3 331.456 3.651 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192747932 1140549774 /nfs/dbraw/zinc/54/97/74/1140549774.db2.gz MUBNHDSHVPMYNG-BJLQDIEVSA-N 0 3 344.499 3.557 20 30 EHEDHN CCOCCOCc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000266517963 1140698126 /nfs/dbraw/zinc/69/81/26/1140698126.db2.gz ZEFSWSHJLIIOFC-QGZVFWFLSA-N 0 3 338.451 3.962 20 30 EHEDHN C=CCOc1ccc(CNCc2ccccc2N(C)C)cc1OC ZINC000267879187 1140845698 /nfs/dbraw/zinc/84/56/98/1140845698.db2.gz NXRQBUMNCBAQMY-UHFFFAOYSA-N 0 3 326.440 3.616 20 30 EHEDHN C=C(C)COc1cc(CN2CCC(c3ncc[nH]3)CC2)ccc1OC ZINC000271195412 1141322457 /nfs/dbraw/zinc/32/24/57/1141322457.db2.gz OCNCRVFYOPIGMH-UHFFFAOYSA-N 0 3 341.455 3.753 20 30 EHEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000271529003 1141389297 /nfs/dbraw/zinc/38/92/97/1141389297.db2.gz QQEFJWUZVWMSQK-QGZVFWFLSA-N 0 3 340.423 3.825 20 30 EHEDHN CCCc1ccc([C@@H](N[C@@H](C)C(=O)N(C)CCC#N)C(C)C)cc1 ZINC000096967016 201378422 /nfs/dbraw/zinc/37/84/22/201378422.db2.gz FZOWBPMGBFOYIJ-LPHOPBHVSA-N 0 3 329.488 3.686 20 30 EHEDHN CC(C)CN1CCN(c2nc(-c3ccc(F)cc3)ccc2C#N)CC1 ZINC001164653842 719329622 /nfs/dbraw/zinc/32/96/22/719329622.db2.gz WOJSVKXYAHELES-UHFFFAOYSA-N 0 3 338.430 3.537 20 30 EHEDHN CCN1CCN(Cc2ccc(N[C@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000183180163 1125466236 /nfs/dbraw/zinc/46/62/36/1125466236.db2.gz DXZKUIQXBFIOPU-GOSISDBHSA-N 0 3 348.494 3.869 20 30 EHEDHN Cn1cc(CNCc2coc3ccccc23)c(-c2ccc(C#N)cc2)n1 ZINC000339407760 1014369219 /nfs/dbraw/zinc/36/92/19/1014369219.db2.gz MTSUCWRFWNWIRT-UHFFFAOYSA-N 0 3 342.402 3.995 20 30 EHEDHN C=CCOc1ccccc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000471135594 1014718397 /nfs/dbraw/zinc/71/83/97/1014718397.db2.gz CLRHSIRMKFPCSV-OXQOHEQNSA-N 0 3 338.451 3.673 20 30 EHEDHN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000343736410 1032106071 /nfs/dbraw/zinc/10/60/71/1032106071.db2.gz MDGDJPBNPZMVNG-HNNXBMFYSA-N 0 3 348.372 3.690 20 30 EHEDHN Cc1cc(N2CCN(C)CC2)ccc1NC1CCC(C)(C#N)CC1 ZINC000449043132 1032113722 /nfs/dbraw/zinc/11/37/22/1032113722.db2.gz WGPLJOQMNHXVCZ-UHFFFAOYSA-N 0 3 326.488 3.631 20 30 EHEDHN N#Cc1csc(CNCc2ccc(COC3CCOCC3)cc2)c1 ZINC000127090763 1015343706 /nfs/dbraw/zinc/34/37/06/1015343706.db2.gz BCNVMSCCWLPHJB-UHFFFAOYSA-N 0 3 342.464 3.605 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](CC3CC3)C2)c1 ZINC000339670321 1015492355 /nfs/dbraw/zinc/49/23/55/1015492355.db2.gz BBTJWSOQQAOSQB-IBGZPJMESA-N 0 3 339.483 3.672 20 30 EHEDHN N#CC(C(=O)C=Cc1ccc(Cl)s1)c1nnc2n1CCCCC2 ZINC000255029672 1015845249 /nfs/dbraw/zinc/84/52/49/1015845249.db2.gz IJMDUQIYVWDCCM-HWPRWLFBSA-N 0 3 346.843 3.609 20 30 EHEDHN C=C(C)CN(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000180282116 1015902522 /nfs/dbraw/zinc/90/25/22/1015902522.db2.gz BOSGZONQTVZYEQ-INIZCTEOSA-N 0 3 335.517 3.739 20 30 EHEDHN COc1ccc(CNCc2ccc(C#N)cc2)cc1Br ZINC000037505849 1016083679 /nfs/dbraw/zinc/08/36/79/1016083679.db2.gz VMCJFSXUAFEOMZ-UHFFFAOYSA-N 0 3 331.213 3.619 20 30 EHEDHN CCN(Cc1ccc(OC)c(C#N)c1)Cc1ccc(OC)c(OC)c1 ZINC000340126555 1016370099 /nfs/dbraw/zinc/37/00/99/1016370099.db2.gz FJJICVFTKPBSCH-UHFFFAOYSA-N 0 3 340.423 3.606 20 30 EHEDHN Cc1cccc(NC(=O)[C@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000189051197 1016429643 /nfs/dbraw/zinc/42/96/43/1016429643.db2.gz DPQILNSEDOTTCZ-LPHOPBHVSA-N 0 3 348.450 3.673 20 30 EHEDHN Cc1ncccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000178317810 1016596787 /nfs/dbraw/zinc/59/67/87/1016596787.db2.gz MKJWCYSVAYXXMA-LBPRGKRZSA-N 0 3 326.306 3.625 20 30 EHEDHN COc1ccccc1CCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000376595259 1016731169 /nfs/dbraw/zinc/73/11/69/1016731169.db2.gz LTMCQYBNTCHMFK-UHFFFAOYSA-N 0 3 335.451 3.580 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000178266945 1016928064 /nfs/dbraw/zinc/92/80/64/1016928064.db2.gz PKSAFXMJYNFGFH-HZPDHXFCSA-N 0 3 337.419 3.882 20 30 EHEDHN CC(=O)NC1(c2noc(C3CCN(C4CC4)CC3)n2)CCCCC1 ZINC000329763400 1032163718 /nfs/dbraw/zinc/16/37/18/1032163718.db2.gz UMETZEXAXWYVIE-UHFFFAOYSA-N 0 3 332.448 3.547 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000538208172 1032229398 /nfs/dbraw/zinc/22/93/98/1032229398.db2.gz OJEQLSIHFBYHKA-MRXNPFEDSA-N 0 3 343.515 3.817 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccc(Cl)c2ccccc21)C(=O)N(C)CCC#N ZINC000184926500 1032344899 /nfs/dbraw/zinc/34/48/99/1032344899.db2.gz FHFGWCQQOAPLPD-ZIAGYGMSSA-N 0 3 343.858 3.904 20 30 EHEDHN CCC(CC)(NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594435566 1033371250 /nfs/dbraw/zinc/37/12/50/1033371250.db2.gz CRDXNDVJNDWNSM-MRXNPFEDSA-N 0 3 335.879 3.883 20 30 EHEDHN N#Cc1csc(CN[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000592372227 1032670304 /nfs/dbraw/zinc/67/03/04/1032670304.db2.gz PEGAAKWTIJBNAE-LLVKDONJSA-N 0 3 342.855 3.797 20 30 EHEDHN CCc1cc(C#N)c(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)s1 ZINC000593036894 1032673252 /nfs/dbraw/zinc/67/32/52/1032673252.db2.gz JMUNTQAZDVTNBV-CMPLNLGQSA-N 0 3 346.374 3.868 20 30 EHEDHN C=C(C)COc1cc(CN2CC[C@H](OCC)[C@H](C)C2)ccc1OC ZINC000449502821 1032681354 /nfs/dbraw/zinc/68/13/54/1032681354.db2.gz XBMYEHQVCTYGLE-AEFFLSMTSA-N 0 3 333.472 3.897 20 30 EHEDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000175780044 1017571330 /nfs/dbraw/zinc/57/13/30/1017571330.db2.gz ULKPELMALBYCSD-UHFFFAOYSA-N 0 3 342.468 3.524 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCCC2CCC(F)(F)CC2)CC1 ZINC000892851705 1017585676 /nfs/dbraw/zinc/58/56/76/1017585676.db2.gz OJUKTNQPGACTGO-UHFFFAOYSA-N 0 3 343.462 3.542 20 30 EHEDHN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1 ZINC000549297186 1018130849 /nfs/dbraw/zinc/13/08/49/1018130849.db2.gz APAXNUFTACVQDK-UHFFFAOYSA-N 0 3 345.535 3.507 20 30 EHEDHN C[C@H](NCc1ccc(Oc2cnccn2)cc1)c1cccc(C#N)c1 ZINC000610345192 1018345627 /nfs/dbraw/zinc/34/56/27/1018345627.db2.gz YFYDUZAKLHCWFL-HNNXBMFYSA-N 0 3 330.391 3.991 20 30 EHEDHN C[C@@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(C#N)c1 ZINC000610344799 1018349176 /nfs/dbraw/zinc/34/91/76/1018349176.db2.gz IJXLFTWHCFFOAV-IIBYNOLFSA-N 0 3 336.435 3.967 20 30 EHEDHN C[C@H]1c2ccc(F)cc2CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000610391593 1018710661 /nfs/dbraw/zinc/71/06/61/1018710661.db2.gz HUPNUWIZOSFINE-AWEZNQCLSA-N 0 3 337.398 3.645 20 30 EHEDHN CC(C)(NC(=O)c1cccc(CN2CCCC2)c1)c1cccc(C#N)c1 ZINC000597948828 1032790071 /nfs/dbraw/zinc/79/00/71/1032790071.db2.gz OUNKYDAMXFPTIV-UHFFFAOYSA-N 0 3 347.462 3.819 20 30 EHEDHN CC(C)NC(=O)Nc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000047723157 1018869005 /nfs/dbraw/zinc/86/90/05/1018869005.db2.gz IVRXEVXWZKHFEF-HNNXBMFYSA-N 0 3 336.439 3.939 20 30 EHEDHN COC(=O)CC1(NCC#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000548098304 1019412263 /nfs/dbraw/zinc/41/22/63/1019412263.db2.gz QHBGTFWGVIOIFZ-UHFFFAOYSA-N 0 3 339.357 3.522 20 30 EHEDHN CC(C)Sc1ccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345111037 1019956676 /nfs/dbraw/zinc/95/66/76/1019956676.db2.gz KKTJEJVJNYGECD-GJZGRUSLSA-N 0 3 345.512 3.789 20 30 EHEDHN CN(CCCc1cc(-c2ccccc2)no1)Cc1cccc(C#N)n1 ZINC000602453261 1032884408 /nfs/dbraw/zinc/88/44/08/1032884408.db2.gz HHCAJIHTFAJCED-UHFFFAOYSA-N 0 3 332.407 3.673 20 30 EHEDHN C=CCCCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501023843 1020658281 /nfs/dbraw/zinc/65/82/81/1020658281.db2.gz AGDMVKMLTXBWBQ-KRWDZBQOSA-N 0 3 348.288 3.598 20 30 EHEDHN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000754672921 1020856176 /nfs/dbraw/zinc/85/61/76/1020856176.db2.gz JFFVTEJEPHYTEL-NSHDSACASA-N 0 3 333.844 3.871 20 30 EHEDHN N#CCc1cccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000455938220 1032956737 /nfs/dbraw/zinc/95/67/37/1032956737.db2.gz FBBCPMSURHUXSZ-FQEVSTJZSA-N 0 3 348.450 3.711 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000602545742 1032957576 /nfs/dbraw/zinc/95/75/76/1032957576.db2.gz OQXWNPKKZFCTKZ-SJLPKXTDSA-N 0 3 347.890 3.675 20 30 EHEDHN C=CCOCCCN[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000656685362 1021171393 /nfs/dbraw/zinc/17/13/93/1021171393.db2.gz PBCIUNOKPRNPIY-FQEVSTJZSA-N 0 3 338.451 3.857 20 30 EHEDHN Cc1ccsc1[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507424856 1021257739 /nfs/dbraw/zinc/25/77/39/1021257739.db2.gz UTRFIYNQNRPYRB-YOEHRIQHSA-N 0 3 339.464 3.774 20 30 EHEDHN COc1cc(OC)cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430629576 1021326495 /nfs/dbraw/zinc/32/64/95/1021326495.db2.gz OUUBUUFXJUKEGI-CQSZACIVSA-N 0 3 344.436 3.948 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000507688955 1021442783 /nfs/dbraw/zinc/44/27/83/1021442783.db2.gz QDQUUVSIGPINDK-KRWDZBQOSA-N 0 3 344.499 3.720 20 30 EHEDHN C#C[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(Br)cc1 ZINC000894869774 1021541445 /nfs/dbraw/zinc/54/14/45/1021541445.db2.gz DJYOCHHRRLRFQS-HOTGVXAUSA-N 0 3 334.257 3.815 20 30 EHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000925061114 1021767683 /nfs/dbraw/zinc/76/76/83/1021767683.db2.gz RKKWBSPNWOZWKU-GJZGRUSLSA-N 0 3 347.478 3.766 20 30 EHEDHN Cc1ccc(CN(C)Cc2cc(C#N)cs2)c(-c2ccnn2C)c1 ZINC000897624289 1033007260 /nfs/dbraw/zinc/00/72/60/1033007260.db2.gz HELLAQLAQZWUDC-UHFFFAOYSA-N 0 3 336.464 3.961 20 30 EHEDHN C=CCOc1ccc(CNCc2cc(C)nc(N3CCCC3)c2)cc1 ZINC000517205185 1022130609 /nfs/dbraw/zinc/13/06/09/1022130609.db2.gz OUQFHENJEOGZLN-UHFFFAOYSA-N 0 3 337.467 3.845 20 30 EHEDHN C[C@H]1CCCC[C@@H]1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000520394005 1022184930 /nfs/dbraw/zinc/18/49/30/1022184930.db2.gz VYIKONBIZWYUOT-FXAWDEMLSA-N 0 3 341.499 3.665 20 30 EHEDHN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1C ZINC000517593629 1022467263 /nfs/dbraw/zinc/46/72/63/1022467263.db2.gz KIOQGLBGSKWWCB-OLZOCXBDSA-N 0 3 331.485 3.557 20 30 EHEDHN CC(C)[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccc(Cl)cc1 ZINC000550153724 1022604464 /nfs/dbraw/zinc/60/44/64/1022604464.db2.gz WSIRGWDRHROONI-KRWDZBQOSA-N 0 3 339.830 3.741 20 30 EHEDHN CCN(CC)[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccco1 ZINC000067383267 1022937759 /nfs/dbraw/zinc/93/77/59/1022937759.db2.gz JLPHAQKYEQHOGR-MRXNPFEDSA-N 0 3 328.372 3.554 20 30 EHEDHN C[C@@H](CCC#N)CN1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602707987 1033095448 /nfs/dbraw/zinc/09/54/48/1033095448.db2.gz XDQGHQGXOAPTBE-YJBOKZPZSA-N 0 3 328.456 3.867 20 30 EHEDHN N#CC(C(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1ccncn1 ZINC000426911792 1023112035 /nfs/dbraw/zinc/11/20/35/1023112035.db2.gz NIWZUHZUCTZWHQ-LLVKDONJSA-N 0 3 325.677 3.639 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)CC1 ZINC000507182394 1023167600 /nfs/dbraw/zinc/16/76/00/1023167600.db2.gz PMCMLUJCHYRGNH-IFXJQAMLSA-N 0 3 347.890 3.525 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000664865447 1023233883 /nfs/dbraw/zinc/23/38/83/1023233883.db2.gz JELACESSIHNJOW-GDAAHCPNSA-N 0 3 327.472 3.570 20 30 EHEDHN COc1ccc(C2CCN(Cc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000610993693 1023983437 /nfs/dbraw/zinc/98/34/37/1023983437.db2.gz BXGFLBUTXLBSBZ-UHFFFAOYSA-N 0 3 336.435 3.955 20 30 EHEDHN CN1CC[C@H](NC(=O)Nc2scnc2C2CC2)[C@@H]1c1ccccc1 ZINC000329896746 1024239660 /nfs/dbraw/zinc/23/96/60/1024239660.db2.gz CQLUBKUEKXDBQN-HOCLYGCPSA-N 0 3 342.468 3.792 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H](C)CC2)c1 ZINC000063309181 1033202297 /nfs/dbraw/zinc/20/22/97/1033202297.db2.gz HRKLIBOBONTNBL-MRXNPFEDSA-N 0 3 327.472 3.672 20 30 EHEDHN C=C(C)COc1cc(CN2CCOC[C@H](C3CCC3)C2)ccc1OC ZINC000430113511 1024381941 /nfs/dbraw/zinc/38/19/41/1024381941.db2.gz LPYJPKPDPVPAKO-LJQANCHMSA-N 0 3 345.483 3.899 20 30 EHEDHN C=CCN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1 ZINC000065535782 1024665659 /nfs/dbraw/zinc/66/56/59/1024665659.db2.gz BNELTMZRFZYEKE-UHFFFAOYSA-N 0 3 342.395 3.670 20 30 EHEDHN C=CCCC[C@H](NCc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000895638792 1024683539 /nfs/dbraw/zinc/68/35/39/1024683539.db2.gz VZRFAQQFAWVSAE-IBGZPJMESA-N 0 3 344.480 3.521 20 30 EHEDHN N#Cc1ccc(C2CCN(CCc3ccc(F)c(F)c3)CC2)nc1 ZINC000602908287 1033238628 /nfs/dbraw/zinc/23/86/28/1033238628.db2.gz BYLSEWNVGVJPNP-UHFFFAOYSA-N 0 3 327.378 3.654 20 30 EHEDHN C=CCN1CCC(N[C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000346569709 1024876010 /nfs/dbraw/zinc/87/60/10/1024876010.db2.gz VOQDBGJNYXMRPI-HXUWFJFHSA-N 0 3 343.421 3.689 20 30 EHEDHN COc1ccc(F)cc1[C@H](C)NCCCOc1cccc(C#N)c1 ZINC000539266977 1025013422 /nfs/dbraw/zinc/01/34/22/1025013422.db2.gz CPGOPKXHRVMQFT-AWEZNQCLSA-N 0 3 328.387 3.826 20 30 EHEDHN CCOc1ccc(O)c(/C=N/C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000126919999 1025183190 /nfs/dbraw/zinc/18/31/90/1025183190.db2.gz ZAUSZSQHQCEFEC-IUOVYFEOSA-N 0 3 330.403 3.652 20 30 EHEDHN Cc1ccc(Cl)cc1N1CC[C@@H](CNC[C@@H](C#N)CCC#N)C1 ZINC000521613125 1025525998 /nfs/dbraw/zinc/52/59/98/1025525998.db2.gz SCGLXZDUMRIKEE-CVEARBPZSA-N 0 3 330.863 3.508 20 30 EHEDHN CCN1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000091174696 1025678399 /nfs/dbraw/zinc/67/83/99/1025678399.db2.gz HGVCRHZLAMUPSO-OAHLLOKOSA-N 0 3 346.500 3.640 20 30 EHEDHN Cc1oc(NC(=O)CN[C@@H](c2cccs2)C2CC2)c(C#N)c1C ZINC000342470019 1025713772 /nfs/dbraw/zinc/71/37/72/1025713772.db2.gz ILSSAUBEVIGVOJ-MRXNPFEDSA-N 0 3 329.425 3.509 20 30 EHEDHN C[C@@H]1C[C@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC(=O)N1 ZINC000329336470 1025760997 /nfs/dbraw/zinc/76/09/97/1025760997.db2.gz LUYCNMUCPAUAAD-HYVNUMGLSA-N 0 3 329.444 3.535 20 30 EHEDHN C[C@H](C(=O)N1c2ccccc2CC[C@H]1CN(C)C)c1cccc(C#N)c1 ZINC000425613050 1026065413 /nfs/dbraw/zinc/06/54/13/1026065413.db2.gz VSONMPILFQRNNP-JXFKEZNVSA-N 0 3 347.462 3.571 20 30 EHEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]2C1 ZINC000451692210 1026234415 /nfs/dbraw/zinc/23/44/15/1026234415.db2.gz DSDVOHWHBOPUBK-SOLBZPMBSA-N 0 3 337.385 3.540 20 30 EHEDHN CC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccc1C ZINC000192769759 1026341018 /nfs/dbraw/zinc/34/10/18/1026341018.db2.gz YFOSSXDRSQWFGN-MRXNPFEDSA-N 0 3 331.375 3.574 20 30 EHEDHN N#Cc1cc(CN[C@H](c2cccs2)C2(CO)CCC2)ccc1F ZINC000452063938 1026459252 /nfs/dbraw/zinc/45/92/52/1026459252.db2.gz YLHKLWDDNPSORB-QGZVFWFLSA-N 0 3 330.428 3.752 20 30 EHEDHN Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)N(C)C)cc1 ZINC000475311878 1026467357 /nfs/dbraw/zinc/46/73/57/1026467357.db2.gz AAPHRGNISNOFLQ-HXUWFJFHSA-N 0 3 349.478 3.829 20 30 EHEDHN COC[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000452095079 1026470732 /nfs/dbraw/zinc/47/07/32/1026470732.db2.gz WQEGKNLIXOOMBI-MRXNPFEDSA-N 0 3 325.374 3.805 20 30 EHEDHN COC[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000452106593 1026498625 /nfs/dbraw/zinc/49/86/25/1026498625.db2.gz RAPWVAWULGVQDH-INIZCTEOSA-N 0 3 341.373 3.685 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000684927948 1026672092 /nfs/dbraw/zinc/67/20/92/1026672092.db2.gz ASQZJVCEDAZNEL-LJQANCHMSA-N 0 3 329.488 3.567 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000582595144 1026684996 /nfs/dbraw/zinc/68/49/96/1026684996.db2.gz VBXXIVIZSIUHEF-OALUTQOASA-N 0 3 335.455 3.965 20 30 EHEDHN COc1ccc(Cl)cc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122730896 1026710684 /nfs/dbraw/zinc/71/06/84/1026710684.db2.gz IFPSGDXTINCFGI-CYBMUJFWSA-N 0 3 339.782 3.725 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2cc(F)cc(F)c2)s1 ZINC000419840981 1027210657 /nfs/dbraw/zinc/21/06/57/1027210657.db2.gz SSHMMWMLCYRALL-GFCCVEGCSA-N 0 3 335.379 3.965 20 30 EHEDHN C=C(C)CN1CCC(Nc2ncc(Br)cc2Cl)CC1 ZINC000302712968 1027250515 /nfs/dbraw/zinc/25/05/15/1027250515.db2.gz DVQBHJREHHLXPD-UHFFFAOYSA-N 0 3 344.684 3.950 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OC(F)F ZINC000048789046 1027718733 /nfs/dbraw/zinc/71/87/33/1027718733.db2.gz WWMFRMVXBRFYOK-SNVBAGLBSA-N 0 3 338.335 3.552 20 30 EHEDHN CC(C)C(=O)Nc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421324541 1028265973 /nfs/dbraw/zinc/26/59/73/1028265973.db2.gz IMXOBLXTNXQMKA-UHFFFAOYSA-N 0 3 325.387 3.582 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000424102685 1028786030 /nfs/dbraw/zinc/78/60/30/1028786030.db2.gz PGMQTIJVIREHPO-HZPDHXFCSA-N 0 3 347.871 3.628 20 30 EHEDHN C=C(Br)CN[C@@H](C)Cc1ccc(Br)cc1 ZINC000235136226 1028816957 /nfs/dbraw/zinc/81/69/57/1028816957.db2.gz ZIFPHMRMQLUBAO-JTQLQIEISA-N 0 3 333.067 3.878 20 30 EHEDHN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424122790 1028820273 /nfs/dbraw/zinc/82/02/73/1028820273.db2.gz JSURTSLUWWLOLE-OXJNMPFZSA-N 0 3 335.451 3.894 20 30 EHEDHN CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@H](N)CCCC#N)cc1 ZINC000424171651 1028869759 /nfs/dbraw/zinc/86/97/59/1028869759.db2.gz MJXXLBJOPXSYAH-MOPGFXCFSA-N 0 3 327.472 3.885 20 30 EHEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000505282933 1029434417 /nfs/dbraw/zinc/43/44/17/1029434417.db2.gz HEYGFLIIZLIVIF-BHDDXSALSA-N 0 3 331.463 3.673 20 30 EHEDHN CCCN(CCN(C)C)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000525162742 1029724742 /nfs/dbraw/zinc/72/47/42/1029724742.db2.gz VNXIETWPUMTJFN-UHFFFAOYSA-N 0 3 334.463 3.500 20 30 EHEDHN C=CCS(=O)(=O)CCN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000272826257 1029822564 /nfs/dbraw/zinc/82/25/64/1029822564.db2.gz GXPXMQWFWQSIRL-HNNXBMFYSA-N 0 3 349.418 3.593 20 30 EHEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455762426 1029902764 /nfs/dbraw/zinc/90/27/64/1029902764.db2.gz BJERGXAXGGFFNV-UHFFFAOYSA-N 0 3 346.475 3.539 20 30 EHEDHN CC(C)CCN(CCC#N)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429700284 1029955798 /nfs/dbraw/zinc/95/57/98/1029955798.db2.gz ZJQWSGPCEFSMOA-NRFANRHFSA-N 0 3 343.515 3.539 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1 ZINC000127698932 1029959159 /nfs/dbraw/zinc/95/91/59/1029959159.db2.gz YCBZVDXDJOUSKW-JUKWODAISA-N 0 3 348.512 3.712 20 30 EHEDHN C#C[C@@H](OC(=O)C1CCN(C2CC2)CC1)c1ccc(Cl)cc1F ZINC000842354493 1029993789 /nfs/dbraw/zinc/99/37/89/1029993789.db2.gz WMGVSUPCHKSXEO-QGZVFWFLSA-N 0 3 335.806 3.571 20 30 EHEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000156814663 1030032184 /nfs/dbraw/zinc/03/21/84/1030032184.db2.gz AIKGIHSOSRUNQC-ZFWWWQNUSA-N 0 3 341.461 4.000 20 30 EHEDHN C[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000525952398 1030248525 /nfs/dbraw/zinc/24/85/25/1030248525.db2.gz YCQIAGWVFJEFJB-CQSZACIVSA-N 0 3 349.459 3.740 20 30 EHEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)cc(C(F)(F)F)c1 ZINC001143451519 1030637790 /nfs/dbraw/zinc/63/77/90/1030637790.db2.gz QMYVHVYITIPDFE-CQSZACIVSA-N 0 3 327.371 3.788 20 30 EHEDHN COc1ccc(CN2CCS[C@@H](C(C)C)C2)cc1OCCCC#N ZINC000093869318 1030687542 /nfs/dbraw/zinc/68/75/42/1030687542.db2.gz WDYIUMZMMGGLRE-LJQANCHMSA-N 0 3 348.512 3.951 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000171728269 1030812261 /nfs/dbraw/zinc/81/22/61/1030812261.db2.gz HLBNGGXVWWINRY-LJQANCHMSA-N 0 3 341.499 3.749 20 30 EHEDHN COc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)ccc1C ZINC000527813227 1031252622 /nfs/dbraw/zinc/25/26/22/1031252622.db2.gz WKEMJLIZVOHPHV-UHFFFAOYSA-N 0 3 336.435 3.671 20 30 EHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H](n1cccn1)C(F)(F)F ZINC000527932479 1031495487 /nfs/dbraw/zinc/49/54/87/1031495487.db2.gz MUAQXATVLLLYCI-IRXDYDNUSA-N 0 3 348.372 3.915 20 30 EHEDHN CC(C)Cc1ccc([C@@H](N[C@@H](C)C(=O)N(C)CCC#N)C2CC2)cc1 ZINC000343589233 1031516486 /nfs/dbraw/zinc/51/64/86/1031516486.db2.gz UVSTVCPEYAKNHG-OXJNMPFZSA-N 0 3 341.499 3.686 20 30 EHEDHN CC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(C)cc1 ZINC000192775541 1031644953 /nfs/dbraw/zinc/64/49/53/1031644953.db2.gz DHMLPUXTXDKUEE-KRWDZBQOSA-N 0 3 325.412 3.756 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000179803591 1031810884 /nfs/dbraw/zinc/81/08/84/1031810884.db2.gz RZWYCPZCVUKMFN-MRXNPFEDSA-N 0 3 334.419 3.972 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180899022 1031921996 /nfs/dbraw/zinc/92/19/96/1031921996.db2.gz XSRQWYWFMZRUHA-KRWDZBQOSA-N 0 3 337.467 3.824 20 30 EHEDHN C[C@H](NC(=O)Nc1cccc(CC#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000455910905 1031954926 /nfs/dbraw/zinc/95/49/26/1031954926.db2.gz UQBWCIFSISXWMH-KXBFYZLASA-N 0 3 336.439 3.566 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2CCSC)CC1 ZINC000603088423 1033353765 /nfs/dbraw/zinc/35/37/65/1033353765.db2.gz QKWOFNFRPQJYFL-UHFFFAOYSA-N 0 3 347.528 3.754 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000594424295 1033387844 /nfs/dbraw/zinc/38/78/44/1033387844.db2.gz AEYKUDKXTBIAJB-OAHLLOKOSA-N 0 3 347.422 3.580 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000594427770 1033389653 /nfs/dbraw/zinc/38/96/53/1033389653.db2.gz WKFOHMFLLHJRTR-NVXWUHKLSA-N 0 3 345.443 3.504 20 30 EHEDHN CC(C)(NCc1ccc(C2(C#N)CC2)cc1)C(=O)Nc1ccccc1 ZINC000594921583 1033546411 /nfs/dbraw/zinc/54/64/11/1033546411.db2.gz DJGDNRWQTYHMLS-UHFFFAOYSA-N 0 3 333.435 3.749 20 30 EHEDHN C[C@@H](CCc1ccccc1F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173968070 1033636680 /nfs/dbraw/zinc/63/66/80/1033636680.db2.gz UCXRCRJJLWZEOI-WMLDXEAASA-N 0 3 338.382 3.742 20 30 EHEDHN CN1c2ccccc2C[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1=O ZINC000595058406 1033637023 /nfs/dbraw/zinc/63/70/23/1033637023.db2.gz BGDOXJXPZDPXDR-VQTJNVASSA-N 0 3 345.446 3.503 20 30 EHEDHN C[C@@H](CCc1cccc(F)c1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966699 1033637262 /nfs/dbraw/zinc/63/72/62/1033637262.db2.gz VHZOQHCQEVNUJV-KSSFIOAISA-N 0 3 338.382 3.742 20 30 EHEDHN COC[C@@H](NCCc1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC000595058173 1033637850 /nfs/dbraw/zinc/63/78/50/1033637850.db2.gz YTTUBIQOOGTDAL-QGZVFWFLSA-N 0 3 332.806 3.871 20 30 EHEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595348780 1033735796 /nfs/dbraw/zinc/73/57/96/1033735796.db2.gz VHMBMASNIVFZGA-SFHVURJKSA-N 0 3 335.536 3.923 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccncc2)ccc1OC ZINC000174091459 1033737508 /nfs/dbraw/zinc/73/75/08/1033737508.db2.gz ARKURRHHPPEUGZ-RHSMWYFYSA-N 0 3 325.412 3.622 20 30 EHEDHN Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)c(CN(C)C)c1 ZINC000537581134 1033764723 /nfs/dbraw/zinc/76/47/23/1033764723.db2.gz FIWVCLXNDGVYNM-UHFFFAOYSA-N 0 3 327.815 3.834 20 30 EHEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ccc(C#N)cc1Cl ZINC000784242181 1033843415 /nfs/dbraw/zinc/84/34/15/1033843415.db2.gz YCVIGOUEIJCPQQ-UHFFFAOYSA-N 0 3 334.847 3.908 20 30 EHEDHN Cc1nc([C@@H](C)NC2CCN(Cc3cccc(C#N)c3)CC2)cs1 ZINC000593723798 1033863278 /nfs/dbraw/zinc/86/32/78/1033863278.db2.gz ZKCOVOYOBMPCIC-CQSZACIVSA-N 0 3 340.496 3.638 20 30 EHEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cc(F)c(Cl)cc1Cl ZINC000599345077 1033878476 /nfs/dbraw/zinc/87/84/76/1033878476.db2.gz LPJDIDRPBNVZMQ-NXEZZACHSA-N 0 3 331.218 3.838 20 30 EHEDHN N#Cc1ccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000609018149 1033996385 /nfs/dbraw/zinc/99/63/85/1033996385.db2.gz QVVPANMGRKFDHQ-FQEVSTJZSA-N 0 3 333.435 3.515 20 30 EHEDHN CC[C@H](NCC(=O)NC1(C#N)CCCCC1)c1cc(C)ccc1C ZINC000599641533 1034067412 /nfs/dbraw/zinc/06/74/12/1034067412.db2.gz STUXVQQRILJLTP-SFHVURJKSA-N 0 3 327.472 3.687 20 30 EHEDHN N#CC1(CC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCCCC1 ZINC000596728723 1034365340 /nfs/dbraw/zinc/36/53/40/1034365340.db2.gz HAAQOMZOPUZLDE-IBGZPJMESA-N 0 3 339.483 3.804 20 30 EHEDHN C[C@@H]1Cc2ccccc2N1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000604483223 1034388740 /nfs/dbraw/zinc/38/87/40/1034388740.db2.gz GXRHEIYFSWXAEY-QGZVFWFLSA-N 0 3 331.463 3.974 20 30 EHEDHN N#CC1(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCCCC1 ZINC000596787279 1034394485 /nfs/dbraw/zinc/39/44/85/1034394485.db2.gz ARNVEDAZINFRGE-LJQANCHMSA-N 0 3 339.483 3.631 20 30 EHEDHN CN(C)[C@@H]1CCOc2c(Nc3cccc(C#N)c3[N+](=O)[O-])cccc21 ZINC000450490494 1034419687 /nfs/dbraw/zinc/41/96/87/1034419687.db2.gz LCEMKUIUBUBPJE-MRXNPFEDSA-N 0 3 338.367 3.595 20 30 EHEDHN COCC1(C#N)CCN(c2ccnc3ccc(OC(C)C)cc32)CC1 ZINC000450520929 1034471411 /nfs/dbraw/zinc/47/14/11/1034471411.db2.gz WEEBXMJBWALVBU-UHFFFAOYSA-N 0 3 339.439 3.779 20 30 EHEDHN COC(=O)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1Cl ZINC000597117220 1034547188 /nfs/dbraw/zinc/54/71/88/1034547188.db2.gz JXKRJFQEYMTCFP-SFHVURJKSA-N 0 3 340.810 3.775 20 30 EHEDHN N#Cc1csc(CNC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000177703424 1035339751 /nfs/dbraw/zinc/33/97/51/1035339751.db2.gz MJVVZSZHBIXSJX-CQSZACIVSA-N 0 3 327.236 3.750 20 30 EHEDHN CN(CCOc1ccccc1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463453698 1035520677 /nfs/dbraw/zinc/52/06/77/1035520677.db2.gz SRZBRUOEYQNXMB-CABCVRRESA-N 0 3 326.362 3.990 20 30 EHEDHN CC(C)N1CCN(c2cccc(NC(=O)CCCCCC#N)c2)CC1 ZINC000588162785 1035731909 /nfs/dbraw/zinc/73/19/09/1035731909.db2.gz FIWXCASTHOVNHJ-UHFFFAOYSA-N 0 3 342.487 3.630 20 30 EHEDHN C=CCc1cc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)cc(OC)c1O ZINC000628390948 1036164803 /nfs/dbraw/zinc/16/48/03/1036164803.db2.gz QRDHBOLHQXYOIW-STQMWFEESA-N 0 3 325.399 3.852 20 30 EHEDHN Cc1ccc([C@H]2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc1 ZINC000541394799 1036281116 /nfs/dbraw/zinc/28/11/16/1036281116.db2.gz XLLUFBCTEULXBY-IBGZPJMESA-N 0 3 344.418 3.906 20 30 EHEDHN CC[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccs1 ZINC000180235094 1036326402 /nfs/dbraw/zinc/32/64/02/1036326402.db2.gz GQRRXCGKIAASKW-IAGOWNOFSA-N 0 3 339.464 3.856 20 30 EHEDHN COc1ccc(C)cc1[C@@H](C)NCCC(=O)Nc1sccc1C#N ZINC000102692397 1036521488 /nfs/dbraw/zinc/52/14/88/1036521488.db2.gz PVSJEEYUBCKLQW-CYBMUJFWSA-N 0 3 343.452 3.616 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)CC1 ZINC000176498689 1036632045 /nfs/dbraw/zinc/63/20/45/1036632045.db2.gz HNTBJOPELVPWKS-SFHVURJKSA-N 0 3 343.515 3.574 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000539467495 1036785244 /nfs/dbraw/zinc/78/52/44/1036785244.db2.gz YXHMCHKRAFQEQY-INIZCTEOSA-N 0 3 335.467 3.644 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cncc(F)c2)cc1 ZINC000151605299 1037448839 /nfs/dbraw/zinc/44/88/39/1037448839.db2.gz ARVJCHKJVWKACM-KRWDZBQOSA-N 0 3 339.370 3.524 20 30 EHEDHN C#C[C@@H](NC1CCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000491619888 1037590575 /nfs/dbraw/zinc/59/05/75/1037590575.db2.gz MVKCVUFSWUDNGG-OAHLLOKOSA-N 0 3 330.781 3.631 20 30 EHEDHN CC[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000341220210 1037785021 /nfs/dbraw/zinc/78/50/21/1037785021.db2.gz PAYYAJYRCWAEQZ-GOSISDBHSA-N 0 3 341.842 3.569 20 30 EHEDHN N#Cc1ccccc1NC(=O)CCNC1(c2ccccc2F)CCC1 ZINC000592144941 1037846360 /nfs/dbraw/zinc/84/63/60/1037846360.db2.gz QRZALVULPVMZRQ-UHFFFAOYSA-N 0 3 337.398 3.695 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000041519812 1038117079 /nfs/dbraw/zinc/11/70/79/1038117079.db2.gz JUHFUYGWADGNHU-NSHDSACASA-N 0 3 326.299 3.840 20 30 EHEDHN CCOC(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000041495925 1038782402 /nfs/dbraw/zinc/78/24/02/1038782402.db2.gz KBWXDDWTPOOZOY-AWEZNQCLSA-N 0 3 348.362 3.621 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000416680569 1038892685 /nfs/dbraw/zinc/89/26/85/1038892685.db2.gz HLNVQYVNVKUZEH-HNNXBMFYSA-N 0 3 327.472 3.575 20 30 EHEDHN Cc1cc(CN2CCC(NC(=O)C3CCCCC3)CC2)ccc1C#N ZINC000488214962 1038965043 /nfs/dbraw/zinc/96/50/43/1038965043.db2.gz GBMMDZRAEACJNC-UHFFFAOYSA-N 0 3 339.483 3.528 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@H]2CC[C@H](C)C2)c1 ZINC000429586759 1039429947 /nfs/dbraw/zinc/42/99/47/1039429947.db2.gz CTJWYZZJYOHNOD-YJBOKZPZSA-N 0 3 327.472 3.671 20 30 EHEDHN COCC[C@H](c1ccccc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000554564631 1039482356 /nfs/dbraw/zinc/48/23/56/1039482356.db2.gz NGTYUACTBYATHO-LJQANCHMSA-N 0 3 335.451 3.717 20 30 EHEDHN CN(CCCc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485788879 1039561698 /nfs/dbraw/zinc/56/16/98/1039561698.db2.gz GZKJXGDIVHWSEL-OAQYLSRUSA-N 0 3 347.462 3.618 20 30 EHEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000237503790 1039602610 /nfs/dbraw/zinc/60/26/10/1039602610.db2.gz JTSVPOLXYFSTIQ-LSDHHAIUSA-N 0 3 338.407 3.599 20 30 EHEDHN C=CCC(CC=C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000554707312 1039617567 /nfs/dbraw/zinc/61/75/67/1039617567.db2.gz HNLIKNNINJNOLE-SFHVURJKSA-N 0 3 332.513 3.896 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2C)C2CC2)CC1 ZINC000489186361 1039714780 /nfs/dbraw/zinc/71/47/80/1039714780.db2.gz SNMFVYXTBHSXCT-FQEVSTJZSA-N 0 3 341.499 3.786 20 30 EHEDHN C=CCC1(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)CCC1 ZINC000478877579 1039779952 /nfs/dbraw/zinc/77/99/52/1039779952.db2.gz BAFLIVJXUQDWHB-IBGZPJMESA-N 0 3 326.484 3.686 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(NC(C)=O)c(OC)c1 ZINC000912316912 1039810929 /nfs/dbraw/zinc/81/09/29/1039810929.db2.gz VFYZNLPAICMKEM-INIZCTEOSA-N 0 3 349.475 3.670 20 30 EHEDHN C=CCCC[C@@H](N)C(=O)Nc1nc(-c2cc(F)ccc2OC)cs1 ZINC000912380322 1039838956 /nfs/dbraw/zinc/83/89/56/1039838956.db2.gz ZKXTVLPCEGJYKP-CYBMUJFWSA-N 0 3 349.431 3.580 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@]2(C#N)CC3CCC2CC3)c1 ZINC000907146448 1039942944 /nfs/dbraw/zinc/94/29/44/1039942944.db2.gz LLDXAKRTPRQTRL-LAGYLCCXSA-N 0 3 325.456 3.715 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(OC(C)C)c2)CC1 ZINC000489575476 1040078015 /nfs/dbraw/zinc/07/80/15/1040078015.db2.gz YITXAAWMGWCMRQ-UHFFFAOYSA-N 0 3 345.487 3.944 20 30 EHEDHN C=CCC[C@H](NC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1 ZINC000667798434 1040260187 /nfs/dbraw/zinc/26/01/87/1040260187.db2.gz BNEHOUAYVQUMMD-IBGZPJMESA-N 0 3 336.439 3.556 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000067126054 1040332736 /nfs/dbraw/zinc/33/27/36/1040332736.db2.gz SQAVVCAXEHDQAG-UHFFFAOYSA-N 0 3 334.419 3.763 20 30 EHEDHN CC(C)(C#N)c1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1 ZINC000614175934 1040375680 /nfs/dbraw/zinc/37/56/80/1040375680.db2.gz SDPDAICFOYRHFI-UHFFFAOYSA-N 0 3 335.451 3.995 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)NC1CCCCCC1)c1ccccc1 ZINC000433014815 1040453393 /nfs/dbraw/zinc/45/33/93/1040453393.db2.gz HBQMLKNXJLUELC-LJQANCHMSA-N 0 3 327.472 3.850 20 30 EHEDHN C=CCN(C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000154764326 1040456110 /nfs/dbraw/zinc/45/61/10/1040456110.db2.gz BYFITJOUQHWHDH-UHFFFAOYSA-N 0 3 342.395 3.800 20 30 EHEDHN C[C@@H]1CCCC[C@H]1NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433018217 1040459940 /nfs/dbraw/zinc/45/99/40/1040459940.db2.gz GEUIZYRCRDUCIT-QRQLOZEOSA-N 0 3 327.472 3.706 20 30 EHEDHN CC(C)N(C)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418152059 1040658792 /nfs/dbraw/zinc/65/87/92/1040658792.db2.gz XQDVTXJQGAPFGC-HXUWFJFHSA-N 0 3 334.467 3.965 20 30 EHEDHN N#Cc1ccc(F)c(CN2CCC[C@H](Cn3cnc4ccccc43)C2)c1 ZINC000614236049 1040790437 /nfs/dbraw/zinc/79/04/37/1040790437.db2.gz YOWVSHPATAWWLZ-KRWDZBQOSA-N 0 3 348.425 3.959 20 30 EHEDHN C=CC[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000487604744 1040986268 /nfs/dbraw/zinc/98/62/68/1040986268.db2.gz ZZXLIISIUADJMN-NHCUHLMSSA-N 0 3 334.463 3.737 20 30 EHEDHN CCc1c(C)sc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1C#N ZINC000571105176 1041184549 /nfs/dbraw/zinc/18/45/49/1041184549.db2.gz MEZNGSUKNIXNPF-HNNXBMFYSA-N 0 3 348.431 3.683 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](c2cccs2)C(CC)CC)CC1 ZINC000067215099 1041271874 /nfs/dbraw/zinc/27/18/74/1041271874.db2.gz OAZQAISSLMMAHM-SFHVURJKSA-N 0 3 332.513 3.687 20 30 EHEDHN C[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1CCO ZINC000661490068 1042144934 /nfs/dbraw/zinc/14/49/34/1042144934.db2.gz CNVBSFAXHATTPS-PBHICJAKSA-N 0 3 325.374 3.540 20 30 EHEDHN C=C[C@H](CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1 ZINC000662885151 1042187678 /nfs/dbraw/zinc/18/76/78/1042187678.db2.gz RKEJKKQDHWMQLY-UZLBHIALSA-N 0 3 336.435 3.646 20 30 EHEDHN Cn1cc(CN2CC[C@@H](CC(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000278904524 1042893122 /nfs/dbraw/zinc/89/31/22/1042893122.db2.gz VLEWDFHABWLXCE-AWEZNQCLSA-N 0 3 348.372 3.733 20 30 EHEDHN CC1(C)CN(CCC(=O)Nc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000344122449 1043294181 /nfs/dbraw/zinc/29/41/81/1043294181.db2.gz SXTGUYVKGLGNAO-UHFFFAOYSA-N 0 3 349.434 3.560 20 30 EHEDHN N#Cc1ccccc1CSCCNCc1ccnn1C1CCC1 ZINC000921506635 1127123910 /nfs/dbraw/zinc/12/39/10/1127123910.db2.gz IKXBVXREEPZLPG-UHFFFAOYSA-N 0 3 326.469 3.503 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000181004672 1127263840 /nfs/dbraw/zinc/26/38/40/1127263840.db2.gz ZKIWHUOOFMWJEM-PMACEKPBSA-N 0 3 345.462 3.701 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000181060167 1127265697 /nfs/dbraw/zinc/26/56/97/1127265697.db2.gz KWCQLYKIBCKWGW-HKUYNNGSSA-N 0 3 333.451 3.557 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](CC)c1c(C)noc1C ZINC000182416962 1127328840 /nfs/dbraw/zinc/32/88/40/1127328840.db2.gz AJRFQEKVLULHJC-QZTJIDSGSA-N 0 3 344.455 3.501 20 30 EHEDHN C=CCOc1ccccc1CNC[C@@](C)(O)c1cccc(Cl)c1 ZINC000764981383 1127561937 /nfs/dbraw/zinc/56/19/37/1127561937.db2.gz YBQDMPRRKIQGAZ-LJQANCHMSA-N 0 3 331.843 3.902 20 30 EHEDHN Cc1cc(OC(=O)[C@H]2CCCN(Cc3ccccc3)C2)ccc1C#N ZINC000765114304 1127576691 /nfs/dbraw/zinc/57/66/91/1127576691.db2.gz WVBPUINNXNKNJO-IBGZPJMESA-N 0 3 334.419 3.684 20 30 EHEDHN COc1cccc([C@H](CNc2nc(C)c(C#N)cc2Cl)N(C)C)c1 ZINC000326912351 1128515225 /nfs/dbraw/zinc/51/52/25/1128515225.db2.gz ORVYITKUNVYKCF-KRWDZBQOSA-N 0 3 344.846 3.639 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000302099348 1128619704 /nfs/dbraw/zinc/61/97/04/1128619704.db2.gz KPZNWPOZFFFIQW-QRWLVFNGSA-N 0 3 333.435 3.836 20 30 EHEDHN COc1ccccc1[C@@H](CNc1ccc(C)c(C#N)n1)N1CCCC1 ZINC000302611340 1128639087 /nfs/dbraw/zinc/63/90/87/1128639087.db2.gz BTIFUKDKIPLXHQ-GOSISDBHSA-N 0 3 336.439 3.519 20 30 EHEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Nc1cccc(C#N)c1 ZINC000251237785 1128779499 /nfs/dbraw/zinc/77/94/99/1128779499.db2.gz OZQRCEYEAKSKRS-AZUAARDMSA-N 0 3 346.434 3.707 20 30 EHEDHN C=CC(C)(C)CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC001670469133 1120077010 /nfs/dbraw/zinc/07/70/10/1120077010.db2.gz VTKOQEGNEDRBSQ-UHFFFAOYSA-N 0 3 344.503 3.552 20 30 EHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000185037218 1120397024 /nfs/dbraw/zinc/39/70/24/1120397024.db2.gz XGWCIRYLLSORJB-VQIMIIECSA-N 0 3 332.488 3.797 20 30 EHEDHN CCN(CC)[C@@H](C/N=C\c1c(O)cccc1OC)c1ccsc1 ZINC000915114080 1121200101 /nfs/dbraw/zinc/20/01/01/1121200101.db2.gz BVKIDUAUQCWHMT-YLRSXTQRSA-N 0 3 332.469 3.964 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)Cc2csc3ccccc23)CC1 ZINC000171737072 1121651314 /nfs/dbraw/zinc/65/13/14/1121651314.db2.gz RJDZEARFLPTMSD-UHFFFAOYSA-N 0 3 343.496 3.693 20 30 EHEDHN C[C@H](CCC#N)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000496476392 1122094956 /nfs/dbraw/zinc/09/49/56/1122094956.db2.gz ARILMZYREOESKS-OAHLLOKOSA-N 0 3 335.492 3.790 20 30 EHEDHN CC(C)(C)OC(=O)N1CCc2cccc(CNCC3(CC#N)CC3)c21 ZINC000496703685 1122155905 /nfs/dbraw/zinc/15/59/05/1122155905.db2.gz SNDPGKOLWWJYJQ-UHFFFAOYSA-N 0 3 341.455 3.768 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN(Cc1cccs1)C1CC1 ZINC000497198623 1122369261 /nfs/dbraw/zinc/36/92/61/1122369261.db2.gz LKEGANNWKDLPAP-SFHVURJKSA-N 0 3 343.492 3.881 20 30 EHEDHN CC(C)SCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000916946295 1122407859 /nfs/dbraw/zinc/40/78/59/1122407859.db2.gz PTMVKMBBKYDIQN-LBPRGKRZSA-N 0 3 345.251 3.782 20 30 EHEDHN C[C@@H]1Cc2ccccc2N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916966441 1122423475 /nfs/dbraw/zinc/42/34/75/1122423475.db2.gz GVMCOGILBSYSPG-HIFRSBDPSA-N 0 3 347.443 3.924 20 30 EHEDHN CCCCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100451 1122499082 /nfs/dbraw/zinc/49/90/82/1122499082.db2.gz OGNHVLIATCHMRT-AWEZNQCLSA-N 0 3 327.453 3.737 20 30 EHEDHN CCCN(Cc1ccccc1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000556137249 1122835710 /nfs/dbraw/zinc/83/57/10/1122835710.db2.gz GDZKTJSICGYYKS-KRWDZBQOSA-N 0 3 327.472 3.630 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2c2ccc(C)cc2)CC1 ZINC000074132446 1123254342 /nfs/dbraw/zinc/25/43/42/1123254342.db2.gz NYPKDLBPIOPQME-FQEVSTJZSA-N 0 3 341.499 3.882 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc(OCC)c(OC)c2)cc1 ZINC000075800155 1123423005 /nfs/dbraw/zinc/42/30/05/1123423005.db2.gz MGBWEKRPGNNEIW-UHFFFAOYSA-N 0 3 327.424 3.949 20 30 EHEDHN C=CCSCCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000237288238 1123509402 /nfs/dbraw/zinc/50/94/02/1123509402.db2.gz ZRAFPKNGBXTJCV-UHFFFAOYSA-N 0 3 348.424 3.872 20 30 EHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cc(F)ccc3F)C2)c(F)c1 ZINC000237816468 1123870746 /nfs/dbraw/zinc/87/07/46/1123870746.db2.gz FAWPSBBPXCZKBD-MRXNPFEDSA-N 0 3 345.368 3.734 20 30 EHEDHN CCCCC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000181744382 1125028157 /nfs/dbraw/zinc/02/81/57/1125028157.db2.gz KKNHNWBDUQEAQA-ICSRJNTNSA-N 0 3 327.472 3.706 20 30 EHEDHN N#CCSCCCN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000080722716 1125090808 /nfs/dbraw/zinc/09/08/08/1125090808.db2.gz QKDCMZXAGXPJAA-GOSISDBHSA-N 0 3 339.464 3.603 20 30 EHEDHN COCCOc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618802518 1125195549 /nfs/dbraw/zinc/19/55/49/1125195549.db2.gz FHHYTSSPASCHQD-QVKFZJNVSA-N 0 3 336.435 3.922 20 30 EHEDHN C=CCOc1ccccc1CN1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000093281468 1125215787 /nfs/dbraw/zinc/21/57/87/1125215787.db2.gz PHMOORBTZVZDLD-KRWDZBQOSA-N 0 3 344.499 3.626 20 30 EHEDHN C=CCOc1ccc(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)cc1 ZINC000673291131 1129271708 /nfs/dbraw/zinc/27/17/08/1129271708.db2.gz HLUSJYCGLPJOFL-QAPCUYQASA-N 0 3 342.439 3.704 20 30 EHEDHN CSc1ccc([C@@H](CNc2c(C#N)cccc2C#N)N(C)C)cc1 ZINC000338831933 1129373816 /nfs/dbraw/zinc/37/38/16/1129373816.db2.gz MLIMRSURHIRVAB-GOSISDBHSA-N 0 3 336.464 3.867 20 30 EHEDHN C=CCCC[C@@H](NCc1c2c(nn1C)CCOC2)c1ccccc1 ZINC000922334794 1129476941 /nfs/dbraw/zinc/47/69/41/1129476941.db2.gz LJTMOYZFCGRXJW-GOSISDBHSA-N 0 3 325.456 3.680 20 30 EHEDHN CCN(CC)C(=O)[C@@H](NCC1CCC(C#N)CC1)c1ccccc1 ZINC000282429318 1129791017 /nfs/dbraw/zinc/79/10/17/1129791017.db2.gz MOYOXBUKXLZTEF-TVPLGVNVSA-N 0 3 327.472 3.516 20 30 EHEDHN C=CC[C@H](N[C@H](C)c1cccc(N2CCOCC2)c1)c1ccncc1 ZINC000766019112 1129804176 /nfs/dbraw/zinc/80/41/76/1129804176.db2.gz KCZGOUSKMBQDHG-UTKZUKDTSA-N 0 3 337.467 3.886 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000625323384 1129830877 /nfs/dbraw/zinc/83/08/77/1129830877.db2.gz WFPMTQOXDANJHO-UHFFFAOYSA-N 0 3 332.391 3.537 20 30 EHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(CN(C)C)c1 ZINC000174744116 1130381896 /nfs/dbraw/zinc/38/18/96/1130381896.db2.gz VCEHLTMNZLATKQ-UHFFFAOYSA-N 0 3 337.423 3.659 20 30 EHEDHN CN(Cc1ccc(OCC#N)cc1)Cc1cccc(Br)c1 ZINC000731211345 1130777359 /nfs/dbraw/zinc/77/73/59/1130777359.db2.gz HIQZQKQJNFNSDF-UHFFFAOYSA-N 0 3 345.240 3.983 20 30 EHEDHN Clc1cc(Br)cc(Cl)c1NN=Cc1ncc[nH]1 ZINC000741841850 1131655682 /nfs/dbraw/zinc/65/56/82/1131655682.db2.gz CPDUAEZTXQCGMA-UHFFFAOYSA-N 0 3 334.004 3.925 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)cc1C#N ZINC000742367600 1131711335 /nfs/dbraw/zinc/71/13/35/1131711335.db2.gz ZNPBGDQCCZVODR-AWEZNQCLSA-N 0 3 338.407 3.579 20 30 EHEDHN C=CCCCCCCN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000806620103 1131723052 /nfs/dbraw/zinc/72/30/52/1131723052.db2.gz OPQNDEVKNRQQRW-OAHLLOKOSA-N 0 3 339.277 3.702 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2C1CCC(CC#N)CC1 ZINC001173335189 1132051256 /nfs/dbraw/zinc/05/12/56/1132051256.db2.gz CITCGSFZISURJR-SJJHQCBESA-N 0 3 333.476 3.543 20 30 EHEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744405558 1132090259 /nfs/dbraw/zinc/09/02/59/1132090259.db2.gz RIFOYVDCNREOCC-KRWDZBQOSA-N 0 3 337.508 3.895 20 30 EHEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccccc1F)[C@@H]2CC ZINC001203348202 1132126680 /nfs/dbraw/zinc/12/66/80/1132126680.db2.gz MERBHHLPONZMLO-QUCCMNQESA-N 0 3 330.447 3.747 20 30 EHEDHN C[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000745170683 1132212631 /nfs/dbraw/zinc/21/26/31/1132212631.db2.gz JKWUHEDOBLTPKR-UONOGXRCSA-N 0 3 327.453 3.595 20 30 EHEDHN C#CCCCN[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000766723724 1132770787 /nfs/dbraw/zinc/77/07/87/1132770787.db2.gz DCKLBEFAEARRRO-HXUWFJFHSA-N 0 3 327.399 3.935 20 30 EHEDHN C=CCc1cc(CNCc2ccc(C#N)c(C)c2)cc(OC)c1OC ZINC000767691762 1133040587 /nfs/dbraw/zinc/04/05/87/1133040587.db2.gz UADQYMQRLCGJCD-UHFFFAOYSA-N 0 3 336.435 3.902 20 30 EHEDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)ccc1C#N ZINC000767691167 1133040680 /nfs/dbraw/zinc/04/06/80/1133040680.db2.gz ALNUTKWXXKAHEQ-OAHLLOKOSA-N 0 3 335.407 3.674 20 30 EHEDHN C#CCOc1ccc(CN(C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000768198269 1133106205 /nfs/dbraw/zinc/10/62/05/1133106205.db2.gz QTRRJCQNRXIKLP-UHFFFAOYSA-N 0 3 339.435 3.656 20 30 EHEDHN C[C@H](CNCc1cc(C#N)ccc1Br)Oc1ccccc1 ZINC001177884682 1133109088 /nfs/dbraw/zinc/10/90/88/1133109088.db2.gz HCSSWJMTUPNREF-CYBMUJFWSA-N 0 3 345.240 3.878 20 30 EHEDHN N#CCCCn1cc(C(=O)OCCN2CCCCC2)c2ccccc21 ZINC000769539366 1133311290 /nfs/dbraw/zinc/31/12/90/1133311290.db2.gz AHCKFODHYNWEMH-UHFFFAOYSA-N 0 3 339.439 3.588 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC001180908435 1133427021 /nfs/dbraw/zinc/42/70/21/1133427021.db2.gz PCBOJHYXBIRVPQ-PXNSSMCTSA-N 0 3 328.500 3.755 20 30 EHEDHN CCCc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC001182109521 1133572868 /nfs/dbraw/zinc/57/28/68/1133572868.db2.gz OPFQKSZSKKIJQE-OAHLLOKOSA-N 0 3 327.453 3.621 20 30 EHEDHN C=CCOc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000771933999 1133616774 /nfs/dbraw/zinc/61/67/74/1133616774.db2.gz QMKPMFHGODQMOG-UHFFFAOYSA-N 0 3 340.467 3.958 20 30 EHEDHN CC[C@H](C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786549362 1133873971 /nfs/dbraw/zinc/87/39/71/1133873971.db2.gz IEDQUOCYXNTHDP-YJBOKZPZSA-N 0 3 328.456 3.927 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000772685780 1133883130 /nfs/dbraw/zinc/88/31/30/1133883130.db2.gz RRPZHYUOKDUMJC-UHFFFAOYSA-N 0 3 338.407 3.529 20 30 EHEDHN CC(C)(C)c1ccc(C#N)c(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001184500805 1133952616 /nfs/dbraw/zinc/95/26/16/1133952616.db2.gz NUNJPQIEBKUXOR-SFHVURJKSA-N 0 3 334.467 3.937 20 30 EHEDHN CC1(C(=O)OCc2ccc(C#N)cc2)CCN(Cc2ccccc2)CC1 ZINC000772706502 1134036935 /nfs/dbraw/zinc/03/69/35/1134036935.db2.gz LUGFDDKDKSTGDJ-UHFFFAOYSA-N 0 3 348.446 3.904 20 30 EHEDHN N#Cc1ccc(-c2ccn(CN3CC[C@H](c4ccccc4)C3)n2)cc1 ZINC000746716146 1134059945 /nfs/dbraw/zinc/05/99/45/1134059945.db2.gz LOZDUOWYLFPDOV-FQEVSTJZSA-N 0 3 328.419 3.869 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCCCC1(C)C ZINC000789492862 1134283021 /nfs/dbraw/zinc/28/30/21/1134283021.db2.gz WWZHEOBSIUXHLH-DLBZAZTESA-N 0 3 326.440 3.570 20 30 EHEDHN CC(C)(C)C1CCN(N=Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000790181582 1134379276 /nfs/dbraw/zinc/37/92/76/1134379276.db2.gz SBRWIBIIZJJIMA-UHFFFAOYSA-N 0 3 329.488 3.615 20 30 EHEDHN CO[C@](C)(C(=O)C(C#N)c1nccc2ccccc21)c1ccccc1 ZINC000792103465 1134650610 /nfs/dbraw/zinc/65/06/10/1134650610.db2.gz RXGPCFJMRDIDSQ-RXVVDRJESA-N 0 3 330.387 3.973 20 30 EHEDHN CCCCCCCNC(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001191123038 1134797871 /nfs/dbraw/zinc/79/78/71/1134797871.db2.gz GJQPTGKSNPYWPK-UHFFFAOYSA-N 0 3 346.519 3.563 20 30 EHEDHN C=CCc1cc(CN2Cc3ccccc3O[C@H](C)C2)c(O)c(OC)c1 ZINC000793780311 1134994269 /nfs/dbraw/zinc/99/42/69/1134994269.db2.gz LZAATXATBLSYNB-OAHLLOKOSA-N 0 3 339.435 3.912 20 30 EHEDHN C=CCOC(=O)NCC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001194334342 1135260828 /nfs/dbraw/zinc/26/08/28/1135260828.db2.gz HUJJKTOKFKUMSW-UHFFFAOYSA-N 0 3 336.435 3.620 20 30 EHEDHN CCCCCCCCCOC(=O)NC1CCN(CCOC)CC1 ZINC001194921048 1135340751 /nfs/dbraw/zinc/34/07/51/1135340751.db2.gz SXLWKELZRMIMDH-UHFFFAOYSA-N 0 3 328.497 3.574 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2COC3(CCCCC3)O2)c([O-])c1 ZINC000775633815 1135363732 /nfs/dbraw/zinc/36/37/32/1135363732.db2.gz LFRWGRFMQOCZNB-LZAZYHHXSA-N 0 3 346.471 3.733 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2COC3(CCCCC3)O2)c([O-])c1 ZINC000775633813 1135364130 /nfs/dbraw/zinc/36/41/30/1135364130.db2.gz LFRWGRFMQOCZNB-KOMLCTQHSA-N 0 3 346.471 3.733 20 30 EHEDHN C#CCC1(NCc2ccn(-c3c(F)cccc3F)n2)CCCCC1 ZINC001198085186 1135770975 /nfs/dbraw/zinc/77/09/75/1135770975.db2.gz QBNWDJGWMPQKMP-UHFFFAOYSA-N 0 3 329.394 3.966 20 30 EHEDHN N#Cc1ccc(OCCCN2CCC(F)(c3ccccn3)CC2)cc1 ZINC000809559235 1135850449 /nfs/dbraw/zinc/85/04/49/1135850449.db2.gz KKWJOLWBONSOJS-UHFFFAOYSA-N 0 3 339.414 3.683 20 30 EHEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000810215444 1135938421 /nfs/dbraw/zinc/93/84/21/1135938421.db2.gz FLVGMRSDVIHSHI-ROUUACIJSA-N 0 3 346.352 3.585 20 30 EHEDHN CC(C)c1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)nc1 ZINC000810529473 1135970424 /nfs/dbraw/zinc/97/04/24/1135970424.db2.gz HOWGQQFRLZMWQA-ZDUSSCGKSA-N 0 3 341.798 3.820 20 30 EHEDHN C=CCOCc1nn(CC2CC2)c2c1CN(C[C@@H]1CC=CCC1)CC2 ZINC001201409835 1136020936 /nfs/dbraw/zinc/02/09/36/1136020936.db2.gz DWXPSYVSMGABGC-QGZVFWFLSA-N 0 3 341.499 3.710 20 30 EHEDHN C#CCCOc1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000811519450 1136097924 /nfs/dbraw/zinc/09/79/24/1136097924.db2.gz XOLDEIDHAWLDPK-WOJBJXKFSA-N 0 3 325.452 3.622 20 30 EHEDHN C=CCc1cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)c(OC)c1 ZINC000811776534 1136134307 /nfs/dbraw/zinc/13/43/07/1136134307.db2.gz DMZXNMDYQMAOAA-LPHOPBHVSA-N 0 3 331.456 3.519 20 30 EHEDHN COc1cccc(O)c1/C=N/C[C@@H](c1cccs1)N1CCCC1 ZINC000812396404 1136204148 /nfs/dbraw/zinc/20/41/48/1136204148.db2.gz RWNDWDGCKVBWHM-UZUMKDMXSA-N 0 3 330.453 3.718 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)[C@H](C)COC)cc1 ZINC000813059511 1136283799 /nfs/dbraw/zinc/28/37/99/1136283799.db2.gz AXRMJFBRRMEWIG-RVKKMQEKSA-N 0 3 344.455 3.595 20 30 EHEDHN C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000850577438 1136291280 /nfs/dbraw/zinc/29/12/80/1136291280.db2.gz CYXKVAFKWCVFSW-STQMWFEESA-N 0 3 335.423 3.603 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(OCC)c(F)c2)cc1 ZINC000113338728 1136697059 /nfs/dbraw/zinc/69/70/59/1136697059.db2.gz NYTLRSSUINXMMQ-UHFFFAOYSA-N 0 3 327.399 3.916 20 30 EHEDHN CCCCCCCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000855527118 1136701499 /nfs/dbraw/zinc/70/14/99/1136701499.db2.gz BMYCOVQYIXOPBX-UHFFFAOYSA-N 0 3 331.504 3.770 20 30 EHEDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1Cc1ccc(OCC#N)cc1 ZINC000817276539 1136792859 /nfs/dbraw/zinc/79/28/59/1136792859.db2.gz HZTAQGZFSIJBKX-NVXWUHKLSA-N 0 3 344.455 3.531 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CC2CCCC2)c1 ZINC000114617883 1136813747 /nfs/dbraw/zinc/81/37/47/1136813747.db2.gz CKSQJOWJLYZUKF-CXAGYDPISA-N 0 3 328.412 3.559 20 30 EHEDHN C=CC1(CC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCCCC1 ZINC001135923988 1136814975 /nfs/dbraw/zinc/81/49/75/1136814975.db2.gz KSAQPHFPXAXUHY-LJQANCHMSA-N 0 3 328.500 3.802 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000857235580 1136856072 /nfs/dbraw/zinc/85/60/72/1136856072.db2.gz AMEUJCPLQFLUNZ-ZWNOBZJWSA-N 0 3 343.254 3.707 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(N(C)C(C)=O)cc2)cc1 ZINC000858496500 1136973590 /nfs/dbraw/zinc/97/35/90/1136973590.db2.gz PAXGGTFOLSHTLI-MRXNPFEDSA-N 0 3 336.435 3.532 20 30 EHEDHN COc1ccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)C2CC2)cn1 ZINC000858604724 1136981877 /nfs/dbraw/zinc/98/18/77/1136981877.db2.gz OMSLLHCJWIFICV-XOBRGWDASA-N 0 3 337.423 3.794 20 30 EHEDHN N#CCCOCCN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000339018456 1137013400 /nfs/dbraw/zinc/01/34/00/1137013400.db2.gz YFXPZFLBLUHZFK-CQSZACIVSA-N 0 3 343.254 3.767 20 30 EHEDHN N#Cc1ccc([C@H](O)CN2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC000859908049 1137036760 /nfs/dbraw/zinc/03/67/60/1137036760.db2.gz CEJNGHKNJOPZOE-GOSISDBHSA-N 0 3 346.352 3.669 20 30 EHEDHN COc1cccc([C@@H](O)C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000860138590 1137045902 /nfs/dbraw/zinc/04/59/02/1137045902.db2.gz OILAXZJIGULKMS-NRFANRHFSA-N 0 3 336.435 3.512 20 30 EHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccco1 ZINC000860472032 1137061931 /nfs/dbraw/zinc/06/19/31/1137061931.db2.gz ZRGOCTIRUJKKNK-ZIAGYGMSSA-N 0 3 340.379 3.519 20 30 EHEDHN C=CCc1cc(CN2CCc3c(CC#N)cccc3C2)c(O)c(OC)c1 ZINC000863336245 1137181551 /nfs/dbraw/zinc/18/15/51/1137181551.db2.gz QDXOLLQTYRFHNB-UHFFFAOYSA-N 0 3 348.446 3.754 20 30 EHEDHN C#C[C@H]1CCCN(Cc2cnc(-c3ccc(OC)c(OC)c3)s2)C1 ZINC001144067953 1137234314 /nfs/dbraw/zinc/23/43/14/1137234314.db2.gz OSISDTRUJHHPBO-AWEZNQCLSA-N 0 3 342.464 3.673 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCc2ccccc2C1 ZINC000845436711 1137291921 /nfs/dbraw/zinc/29/19/21/1137291921.db2.gz JDGLJWXPYBFQHW-SJORKVTESA-N 0 3 329.403 3.555 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000845441528 1137292224 /nfs/dbraw/zinc/29/22/24/1137292224.db2.gz QOPNVZMWIILXOH-WBMJQRKESA-N 0 3 332.831 3.601 20 30 EHEDHN C#Cc1ccc(CN2CCC[C@@H](C(=O)OCc3ccccc3)C2)cc1 ZINC001144581273 1137310830 /nfs/dbraw/zinc/31/08/30/1137310830.db2.gz OBOVSLGRVPLZKA-OAQYLSRUSA-N 0 3 333.431 3.623 20 30 EHEDHN Cc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1[N+](=O)[O-] ZINC000865786153 1137311745 /nfs/dbraw/zinc/31/17/45/1137311745.db2.gz BMNOUZWOBRDORC-UHFFFAOYSA-N 0 3 338.411 3.543 20 30 EHEDHN C=CC[C@@H](C)[C@H](C)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000846050903 1137330132 /nfs/dbraw/zinc/33/01/32/1137330132.db2.gz WKCTXLQWLYGLLG-MOPGFXCFSA-N 0 3 345.531 3.716 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN([C@H](C)c2ccccc2)CC1 ZINC001171220602 1137346064 /nfs/dbraw/zinc/34/60/64/1137346064.db2.gz AFRZUOVZPAZLSD-RTBURBONSA-N 0 3 333.479 3.868 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(Cc2ccccc2)C[C@H]1C ZINC001171221905 1137348355 /nfs/dbraw/zinc/34/83/55/1137348355.db2.gz WXDRDVPZVPFGPS-RBUKOAKNSA-N 0 3 333.479 3.696 20 30 EHEDHN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cc(-c2ccccc2)n(C)n1 ZINC000866615714 1137369566 /nfs/dbraw/zinc/36/95/66/1137369566.db2.gz ISZUXLIHQMHEGL-QRWLVFNGSA-N 0 3 342.446 3.777 20 30 EHEDHN CC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1c(C)nn(C)c1C ZINC000772958421 1137378576 /nfs/dbraw/zinc/37/85/76/1137378576.db2.gz GONIIFHQHLULNQ-SCLBCKFNSA-N 0 3 326.444 3.741 20 30 EHEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000772960729 1137386105 /nfs/dbraw/zinc/38/61/05/1137386105.db2.gz VGGULCDTQVHJQI-AWEZNQCLSA-N 0 3 325.368 3.656 20 30 EHEDHN CC[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccc(C)cc1 ZINC000121865271 1137387344 /nfs/dbraw/zinc/38/73/44/1137387344.db2.gz HJLGYXWKHJZXDU-RDJZCZTQSA-N 0 3 335.407 3.621 20 30 EHEDHN CCN1CCN(Cc2ccc(Nc3ccc(C#N)c(F)c3)cc2)CC1 ZINC001204062230 1137396164 /nfs/dbraw/zinc/39/61/64/1137396164.db2.gz MEPUDVCGCVEGHD-UHFFFAOYSA-N 0 3 338.430 3.578 20 30 EHEDHN C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC001148630096 1137430118 /nfs/dbraw/zinc/43/01/18/1137430118.db2.gz XRASLYADIXDJJP-UTKZUKDTSA-N 0 3 347.462 3.708 20 30 EHEDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000870140542 1137478627 /nfs/dbraw/zinc/47/86/27/1137478627.db2.gz ZOHRJVYDWZCFCA-FMUWMXLXSA-N 0 3 332.403 3.779 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCCCCOCCc2ccccc2)c1 ZINC000876945848 1137665873 /nfs/dbraw/zinc/66/58/73/1137665873.db2.gz KGSNZVGLPPPQLB-UHFFFAOYSA-N 0 3 343.858 3.736 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000876989387 1137667194 /nfs/dbraw/zinc/66/71/94/1137667194.db2.gz UUQJIHILGWMCHG-HNNXBMFYSA-N 0 3 327.255 3.549 20 30 EHEDHN COc1ccccc1C1(CNCc2cc(C#N)cnc2Cl)CCC1 ZINC000877348125 1137674756 /nfs/dbraw/zinc/67/47/56/1137674756.db2.gz CJXSSSPZNAATDO-UHFFFAOYSA-N 0 3 341.842 3.827 20 30 EHEDHN CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[C@H]1C#N ZINC000879311790 1137743995 /nfs/dbraw/zinc/74/39/95/1137743995.db2.gz VOQZLNDRHZAWJB-IRXDYDNUSA-N 0 3 335.492 3.648 20 30 EHEDHN C=CCCC[C@H](NCC(=O)N(C)c1nccs1)c1ccccc1 ZINC000880387834 1137777599 /nfs/dbraw/zinc/77/75/99/1137777599.db2.gz FUTJIYUVVQPCLT-INIZCTEOSA-N 0 3 329.469 3.793 20 30 EHEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3CC#Cc2cccc(Cl)c2)cn1 ZINC000880518733 1137780450 /nfs/dbraw/zinc/78/04/50/1137780450.db2.gz SRXORYOFOAKEPR-XGSMCBPESA-N 0 3 339.870 3.836 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccccc2C(F)(F)CC)CC1 ZINC000880778286 1137789332 /nfs/dbraw/zinc/78/93/32/1137789332.db2.gz AZINLNBNDBQEQN-UHFFFAOYSA-N 0 3 337.414 3.960 20 30 EHEDHN Cc1cccc2ncc(CN3CCC(c4ccc(C#N)cc4)CC3)n21 ZINC001137198698 1137877357 /nfs/dbraw/zinc/87/73/57/1137877357.db2.gz HDPJULKSVXLXOG-UHFFFAOYSA-N 0 3 330.435 3.894 20 30 EHEDHN Cc1cc(-c2ccccc2)ccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884069737 1137903577 /nfs/dbraw/zinc/90/35/77/1137903577.db2.gz NXMBESWAPIHODZ-GSVIPDFHSA-N 0 3 345.446 3.740 20 30 EHEDHN Cc1cccnc1[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000112657281 1137909192 /nfs/dbraw/zinc/90/91/92/1137909192.db2.gz YTVPVELEMDRHCZ-IBGZPJMESA-N 0 3 336.439 3.577 20 30 EHEDHN CC(C)(C)n1ncnc1CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000332172945 1137934462 /nfs/dbraw/zinc/93/44/62/1137934462.db2.gz WOHMGOGMEDYJRZ-UHFFFAOYSA-N 0 3 337.471 3.527 20 30 EHEDHN N#CC1(C[C@@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCC1 ZINC000886009012 1138032080 /nfs/dbraw/zinc/03/20/80/1138032080.db2.gz ZMOVMTFPAHOJQP-GOSISDBHSA-N 0 3 328.456 3.582 20 30 EHEDHN N#CC1(C[C@@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCC1 ZINC000886009012 1138032082 /nfs/dbraw/zinc/03/20/82/1138032082.db2.gz ZMOVMTFPAHOJQP-GOSISDBHSA-N 0 3 328.456 3.582 20 30 EHEDHN COCCOc1cccc(CNCc2ccc(SC)c(C#N)c2)c1 ZINC000886278622 1138063580 /nfs/dbraw/zinc/06/35/80/1138063580.db2.gz FDUKVNLKWNTLKZ-UHFFFAOYSA-N 0 3 342.464 3.595 20 30 EHEDHN COc1ccc(CNCc2ccc(SC)c(C#N)c2)c(C)c1OC ZINC000886277677 1138063717 /nfs/dbraw/zinc/06/37/17/1138063717.db2.gz YZQREFNMTGGZRW-UHFFFAOYSA-N 0 3 342.464 3.896 20 30 EHEDHN C#CCOc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000074372475 1138120256 /nfs/dbraw/zinc/12/02/56/1138120256.db2.gz BRDQQSNAHOQGGE-UHFFFAOYSA-N 0 3 339.410 3.633 20 30 EHEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H]3Cc3ccccc3)o2)cc1 ZINC000075595463 1138128819 /nfs/dbraw/zinc/12/88/19/1138128819.db2.gz PISPFHCLAXHPHZ-IBGZPJMESA-N 0 3 344.418 3.815 20 30 EHEDHN C[C@H](Cn1cc(Br)cn1)N[C@H](CCC#N)c1ccccc1 ZINC000090665308 1138212465 /nfs/dbraw/zinc/21/24/65/1138212465.db2.gz UYJPHUYRCVGQAM-CZUORRHYSA-N 0 3 347.260 3.669 20 30 EHEDHN CC(=O)Nc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000092034304 1138224544 /nfs/dbraw/zinc/22/45/44/1138224544.db2.gz ZWXYANPEMBXCSY-UHFFFAOYSA-N 0 3 349.434 3.560 20 30 EHEDHN C=CCN1CCC(NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000092897210 1138232617 /nfs/dbraw/zinc/23/26/17/1138232617.db2.gz ZMMPWLCLAJWRRF-HNNXBMFYSA-N 0 3 334.891 3.675 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CC)Cc2ccc(Cl)cc2)CC1 ZINC000264331456 1138478583 /nfs/dbraw/zinc/47/85/83/1138478583.db2.gz FDDOFQVFZAHPSF-UHFFFAOYSA-N 0 3 335.879 3.522 20 30 EHEDHN CCCCCC(=O)NC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000265369324 1138836430 /nfs/dbraw/zinc/83/64/30/1138836430.db2.gz AATKUFCDAZORQD-MRXNPFEDSA-N 0 3 327.472 3.780 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000175417180 1139489033 /nfs/dbraw/zinc/48/90/33/1139489033.db2.gz ZSQACRWUMWWANL-XLIONFOSSA-N 0 3 341.499 3.615 20 30 EHEDHN C[C@H](NC[C@@H]1COC2(CCC(C)CC2)O1)c1ccc(C#N)c(F)c1 ZINC000777312729 1139567765 /nfs/dbraw/zinc/56/77/65/1139567765.db2.gz KKYCUQMUOOGWAM-BOLVRDICSA-N 0 3 332.419 3.670 20 30 EHEDHN C[C@@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)CN1C1CC1 ZINC000177089457 1139597217 /nfs/dbraw/zinc/59/72/17/1139597217.db2.gz AQMBJJYRTPGHES-WBVHZDCISA-N 0 3 345.446 3.580 20 30 EHEDHN CCN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000177621331 1139629844 /nfs/dbraw/zinc/62/98/44/1139629844.db2.gz ZWKNSYPKZKXPIX-UHFFFAOYSA-N 0 3 333.479 3.524 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000178642666 1139709504 /nfs/dbraw/zinc/70/95/04/1139709504.db2.gz LIILAMDAMBDYHR-CABCVRRESA-N 0 3 335.407 3.927 20 30 EHEDHN Cc1oc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)c(C#N)c1C ZINC000179689902 1139775002 /nfs/dbraw/zinc/77/50/02/1139775002.db2.gz XGNXTLJWZNOVJC-FZKQIMNGSA-N 0 3 337.423 3.836 20 30 EHEDHN CN(C(=O)c1ccccc1Oc1ccccc1C#N)C1CCN(C)CC1 ZINC000181124923 1139887643 /nfs/dbraw/zinc/88/76/43/1139887643.db2.gz MRXBWOUBCFMDMH-UHFFFAOYSA-N 0 3 349.434 3.517 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181210577 1139891966 /nfs/dbraw/zinc/89/19/66/1139891966.db2.gz YPDXZMSJGKQOIZ-FXAWDEMLSA-N 0 3 336.435 3.824 20 30 EHEDHN C=CCN1CCC(NC(=O)CCCCCc2ccc(F)cc2)CC1 ZINC000189278180 1140332748 /nfs/dbraw/zinc/33/27/48/1140332748.db2.gz YBQIDLDWQPGEPX-UHFFFAOYSA-N 0 3 332.463 3.695 20 30 EHEDHN COc1ccc(C(C)=NOCCC(F)(F)F)cc1CN1CCCC1 ZINC000777461088 1140395080 /nfs/dbraw/zinc/39/50/80/1140395080.db2.gz UIQOFMRUWXYFBT-UHFFFAOYSA-N 0 3 344.377 3.984 20 30 EHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000191320069 1140454560 /nfs/dbraw/zinc/45/45/60/1140454560.db2.gz QNGJQYXDFSALSV-CYBMUJFWSA-N 0 3 327.403 3.675 20 30 EHEDHN C=CCOc1cccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000270130898 1141182750 /nfs/dbraw/zinc/18/27/50/1141182750.db2.gz POCVOJYGINTUIC-IQMFZBJNSA-N 0 3 329.465 3.840 20 30 EHEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H]2c2ccccc2)cc1Cl ZINC000348539512 1141548905 /nfs/dbraw/zinc/54/89/05/1141548905.db2.gz NKTZVEDPUGAUJR-GOSISDBHSA-N 0 3 339.826 3.987 20 30 EHEDHN COc1cccc([C@@H](CNc2c(Cl)cccc2C#N)N(C)C)c1 ZINC000078601763 201190866 /nfs/dbraw/zinc/19/08/66/201190866.db2.gz IVRLBSDIEPVKTO-QGZVFWFLSA-N 0 3 329.831 3.935 20 30 EHEDHN N#Cc1ccc([C@H](NC[C@H]2CCO[C@@H]2c2ccccc2)C(N)=O)cc1 ZINC000328633917 258027323 /nfs/dbraw/zinc/02/73/23/258027323.db2.gz SWAQAZPHSRLVBW-CEXWTWQISA-N 0 3 335.407 3.502 20 30 EHEDHN CN(C)Cc1ccc(-c2noc(C(C)(C)c3ccc(C#N)cc3)n2)cc1 ZINC000866846968 1014355611 /nfs/dbraw/zinc/35/56/11/1014355611.db2.gz DJHQBMIKJYZGTO-UHFFFAOYSA-N 0 3 346.434 3.996 20 30 EHEDHN CCOc1ccc(N(CCC#N)C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1 ZINC000413358908 1014631354 /nfs/dbraw/zinc/63/13/54/1014631354.db2.gz NJWROJQNHBZLSH-ULQDDVLXSA-N 0 3 343.471 3.593 20 30 EHEDHN N#CC(C(=O)c1ccc(C(F)F)cc1F)c1nnc2n1CCCCC2 ZINC000654972092 1014699457 /nfs/dbraw/zinc/69/94/57/1014699457.db2.gz BERLYJAUBCWQQV-LBPRGKRZSA-N 0 3 348.328 3.571 20 30 EHEDHN Cc1nsc(NC[C@@]2(C)CCCN2Cc2ccccc2)c1C#N ZINC000343026966 1015889881 /nfs/dbraw/zinc/88/98/81/1015889881.db2.gz PPBIJKNIRMFQNW-GOSISDBHSA-N 0 3 326.469 3.790 20 30 EHEDHN C=C(C)CN(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000180282129 1015902795 /nfs/dbraw/zinc/90/27/95/1015902795.db2.gz BOSGZONQTVZYEQ-MRXNPFEDSA-N 0 3 335.517 3.739 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000189243776 1016498303 /nfs/dbraw/zinc/49/83/03/1016498303.db2.gz RQNPCDYGYHPHMS-DLBZAZTESA-N 0 3 339.483 3.590 20 30 EHEDHN CC[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000120250681 1016762689 /nfs/dbraw/zinc/76/26/89/1016762689.db2.gz NIHFFFKDSWYGKU-MRXNPFEDSA-N 0 3 333.863 3.723 20 30 EHEDHN Cc1cccc([C@@H](NCC(=O)NCc2cccc(C#N)c2)C(C)(C)C)c1 ZINC000538238512 1032231203 /nfs/dbraw/zinc/23/12/03/1032231203.db2.gz YVSACKYGIPLBSO-OAQYLSRUSA-N 0 3 349.478 3.860 20 30 EHEDHN N#Cc1cccc(OCCNC2(c3ccc(F)cc3F)CCC2)c1 ZINC000538259409 1032255475 /nfs/dbraw/zinc/25/54/75/1032255475.db2.gz GTCFGENLERAMGY-UHFFFAOYSA-N 0 3 328.362 3.884 20 30 EHEDHN CCCCCOc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1OC ZINC000905080954 1032333379 /nfs/dbraw/zinc/33/33/79/1032333379.db2.gz ORFVVPWGGSJWTA-NWFCWYBLSA-N 0 3 341.411 3.697 20 30 EHEDHN Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000537295031 1032600416 /nfs/dbraw/zinc/60/04/16/1032600416.db2.gz GFVRRRXCIOQPNT-PGRDOPGGSA-N 0 3 349.478 3.591 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)N(C)CCO3)n1 ZINC000892803986 1017459592 /nfs/dbraw/zinc/45/95/92/1017459592.db2.gz YCKCRHUTKHHIAS-ZDUSSCGKSA-N 0 3 341.436 3.585 20 30 EHEDHN CC(C)c1ccc(CNCCOc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000236651555 1017523518 /nfs/dbraw/zinc/52/35/18/1017523518.db2.gz CAABZTRHPYPYAA-UHFFFAOYSA-N 0 3 339.395 3.758 20 30 EHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000176944446 1017533114 /nfs/dbraw/zinc/53/31/14/1017533114.db2.gz JMTPBFDFUDBDFP-LBPRGKRZSA-N 0 3 325.437 3.819 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000449547522 1032763915 /nfs/dbraw/zinc/76/39/15/1032763915.db2.gz IMIAMVWKBHFKHD-MSOLQXFVSA-N 0 3 341.407 3.556 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133031 1018530239 /nfs/dbraw/zinc/53/02/39/1018530239.db2.gz ACJNTGMSSCASMT-TZIWHRDSSA-N 0 3 344.499 3.511 20 30 EHEDHN C[C@H]1CN(Cc2ccc(C#N)s2)CCN(Cc2ccccc2)C1 ZINC000449551291 1032780571 /nfs/dbraw/zinc/78/05/71/1032780571.db2.gz FODUTSSKILMUDQ-MRXNPFEDSA-N 0 3 325.481 3.574 20 30 EHEDHN CC[C@@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCCCO1 ZINC000594043798 1032869895 /nfs/dbraw/zinc/86/98/95/1032869895.db2.gz OWPQSQQLYQAVTL-CVEARBPZSA-N 0 3 337.261 3.758 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000126501966 1020072133 /nfs/dbraw/zinc/07/21/33/1020072133.db2.gz ZNMSKGUVUQGEPK-MSOLQXFVSA-N 0 3 343.515 3.751 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1[C@H](C)c1ccccc1 ZINC000760355102 1032886277 /nfs/dbraw/zinc/88/62/77/1032886277.db2.gz AIVHWULAAZGIJF-BEFAXECRSA-N 0 3 344.418 3.994 20 30 EHEDHN CC1(C)CC(N=Nc2cncc(Cl)n2)CN1Cc1ccccc1 ZINC000761253984 1032899668 /nfs/dbraw/zinc/89/96/68/1032899668.db2.gz MJKCZHOITJZCQP-UHFFFAOYSA-N 0 3 329.835 3.582 20 30 EHEDHN C#CCC1(NCC(=O)Nc2cccc(-c3csc(C)n3)c2)CCC1 ZINC000933298198 1021034913 /nfs/dbraw/zinc/03/49/13/1021034913.db2.gz BQPQGJMDPBOHFM-UHFFFAOYSA-N 0 3 339.464 3.593 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)CC1 ZINC000178068351 1021126653 /nfs/dbraw/zinc/12/66/53/1021126653.db2.gz KITCKPIZAGJPBN-LJQANCHMSA-N 0 3 326.484 3.544 20 30 EHEDHN CN(CCCOc1cccc(C#N)c1)C[C@H]1OCCc2ccccc21 ZINC000477149792 1021202984 /nfs/dbraw/zinc/20/29/84/1021202984.db2.gz LWPOKOPLWRFKGE-OAQYLSRUSA-N 0 3 336.435 3.573 20 30 EHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000602528945 1032963141 /nfs/dbraw/zinc/96/31/41/1032963141.db2.gz NUVJAMBLEKTDFK-NRFANRHFSA-N 0 3 347.462 3.777 20 30 EHEDHN Cc1ccc(OC(F)F)c(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602570131 1032981376 /nfs/dbraw/zinc/98/13/76/1032981376.db2.gz VGEHARFFGMDLID-CQSZACIVSA-N 0 3 338.398 3.785 20 30 EHEDHN CSc1ccc([C@@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000439480394 1021488496 /nfs/dbraw/zinc/48/84/96/1021488496.db2.gz XPESPNRFGDIDFT-GLJUWKHASA-N 0 3 333.501 3.502 20 30 EHEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000516494392 1021488537 /nfs/dbraw/zinc/48/85/37/1021488537.db2.gz LRCPUXIRVKIJMU-KUHUBIRLSA-N 0 3 337.423 3.635 20 30 EHEDHN CCCCCn1cc(CN[C@H](C)CC2(C#N)CCOCC2)c(C)n1 ZINC000602578389 1032994912 /nfs/dbraw/zinc/99/49/12/1032994912.db2.gz DZVQAOJJZFDIQL-MRXNPFEDSA-N 0 3 332.492 3.570 20 30 EHEDHN N#Cc1cccc(CNCCc2nc(C3CCCCC3)cs2)n1 ZINC000602594863 1032993271 /nfs/dbraw/zinc/99/32/71/1032993271.db2.gz VKAFTACYMMELMJ-UHFFFAOYSA-N 0 3 326.469 3.790 20 30 EHEDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000574306629 1033035639 /nfs/dbraw/zinc/03/56/39/1033035639.db2.gz BOWXYTNTOUMWIP-MLGOLLRUSA-N 0 3 345.830 3.664 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000517384665 1022298689 /nfs/dbraw/zinc/29/86/89/1022298689.db2.gz HMOOODUQYZYCFN-MSOLQXFVSA-N 0 3 348.437 3.711 20 30 EHEDHN CC(C)(C)C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000341585841 1022414384 /nfs/dbraw/zinc/41/43/84/1022414384.db2.gz ASMOMFGEVJBLEN-YLJYHZDGSA-N 0 3 327.472 3.562 20 30 EHEDHN CN1CC[C@H](NC(=O)CNC(=O)CC2CCCC2)[C@@H]1c1ccccc1 ZINC000328883446 1022525840 /nfs/dbraw/zinc/52/58/40/1022525840.db2.gz MFGDHNOXNKZDPY-PXNSSMCTSA-N 0 3 343.471 3.925 20 30 EHEDHN CC(C)(C)[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000330559509 1022609722 /nfs/dbraw/zinc/60/97/22/1022609722.db2.gz AVMMUQBCSSLXKP-GOSISDBHSA-N 0 3 345.462 3.845 20 30 EHEDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000330672259 1022652796 /nfs/dbraw/zinc/65/27/96/1022652796.db2.gz GCLCBMFSCPFTOS-OAHLLOKOSA-N 0 3 334.508 3.941 20 30 EHEDHN C[C@H]1C[C@H]1c1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000506260716 1022743571 /nfs/dbraw/zinc/74/35/71/1022743571.db2.gz ZQOWTKGSDRMQIE-LAUBAEHRSA-N 0 3 349.478 3.983 20 30 EHEDHN CC(C)[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(C)(C)O ZINC000331362058 1022803147 /nfs/dbraw/zinc/80/31/47/1022803147.db2.gz ZULHRXVKBOXZGH-SFHVURJKSA-N 0 3 332.488 3.773 20 30 EHEDHN CC(C)(C#N)c1ccc(CN2CC[C@@H](OCc3ccccn3)C2)cc1 ZINC000602716056 1033102548 /nfs/dbraw/zinc/10/25/48/1033102548.db2.gz RHETXWLQELFIJC-HXUWFJFHSA-N 0 3 335.451 3.674 20 30 EHEDHN Cc1ccc2ccccc2c1CN1CCN(c2cccc(C#N)n2)CC1 ZINC000546209435 1023127118 /nfs/dbraw/zinc/12/71/18/1023127118.db2.gz HOTMNMPCRNJGKO-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN Cc1cccc(C2(NCC(=O)NCc3cccc(C#N)c3)CCCC2)c1 ZINC000506454070 1023181233 /nfs/dbraw/zinc/18/12/33/1023181233.db2.gz JOEXCXSEGFQZLV-UHFFFAOYSA-N 0 3 347.462 3.542 20 30 EHEDHN N#CC(C(=O)c1cccnc1C1CC1)c1cc(C(F)(F)F)ccn1 ZINC000518639054 1023249922 /nfs/dbraw/zinc/24/99/22/1023249922.db2.gz VMICRNNQKIIFPJ-CYBMUJFWSA-N 0 3 331.297 3.863 20 30 EHEDHN Cc1ccc(NC(=O)C[C@H](C)NCc2ccc(C#N)c(F)c2)c(C)c1 ZINC000449735892 1033134385 /nfs/dbraw/zinc/13/43/85/1033134385.db2.gz KINZRXYHVSQURS-HNNXBMFYSA-N 0 3 339.414 3.821 20 30 EHEDHN C=CCC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000341922884 1023699589 /nfs/dbraw/zinc/69/95/89/1023699589.db2.gz ANQZIUMJVBDIJL-IBGZPJMESA-N 0 3 339.483 3.968 20 30 EHEDHN CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)N(CC)CC ZINC000441518802 1024020868 /nfs/dbraw/zinc/02/08/68/1024020868.db2.gz BSPNCOWLYRDNEE-CYBMUJFWSA-N 0 3 343.349 3.516 20 30 EHEDHN COc1ccc(CN2CCS[C@@H](C)CC2)cc1OCCCC#N ZINC000190693814 1024328361 /nfs/dbraw/zinc/32/83/61/1024328361.db2.gz PRNHKHYZWXITIR-HNNXBMFYSA-N 0 3 334.485 3.705 20 30 EHEDHN CN(C)Cc1cccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c1 ZINC000183903869 1024333533 /nfs/dbraw/zinc/33/35/33/1024333533.db2.gz HCDQNRJJRABDRP-UHFFFAOYSA-N 0 3 341.499 3.977 20 30 EHEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000330201555 1024352344 /nfs/dbraw/zinc/35/23/44/1024352344.db2.gz XYPNVFLEGDWOSE-MLHJIOFPSA-N 0 3 330.476 3.539 20 30 EHEDHN CN(Cc1ccc(C#N)s1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000119510937 1024370156 /nfs/dbraw/zinc/37/01/56/1024370156.db2.gz IZJNEQJMGCUATQ-QGZVFWFLSA-N 0 3 325.481 3.716 20 30 EHEDHN CN(C)[C@H]1CCOc2c(Nc3c(C#N)cccc3[N+](=O)[O-])cccc21 ZINC000425263906 1024571181 /nfs/dbraw/zinc/57/11/81/1024571181.db2.gz VLQJQFGSBMHYEY-HNNXBMFYSA-N 0 3 338.367 3.595 20 30 EHEDHN C=CCc1cc(CN2CC[C@@H](c3nccs3)C2)cc(OC)c1O ZINC000895583997 1024628056 /nfs/dbraw/zinc/62/80/56/1024628056.db2.gz NUAWHXFTBQDHKX-OAHLLOKOSA-N 0 3 330.453 3.575 20 30 EHEDHN C#CCC1(O)CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000895675027 1024706589 /nfs/dbraw/zinc/70/65/89/1024706589.db2.gz KIKOOPGLFVRZDY-UHFFFAOYSA-N 0 3 329.387 3.649 20 30 EHEDHN C=CCN(CCCOc1ccc2c(c1)OCO2)Cc1cccs1 ZINC000520790581 1024874862 /nfs/dbraw/zinc/87/48/62/1024874862.db2.gz RNXLZCUTZKWMKT-UHFFFAOYSA-N 0 3 331.437 3.934 20 30 EHEDHN C=CCn1c(Cc2ccccc2)nnc1SCCN1CCCCC1 ZINC000075480792 1024945274 /nfs/dbraw/zinc/94/52/74/1024945274.db2.gz DWMZKECYULSADC-UHFFFAOYSA-N 0 3 342.512 3.633 20 30 EHEDHN C[C@@H]1C[C@@H](CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000435880044 1025197687 /nfs/dbraw/zinc/19/76/87/1025197687.db2.gz HELTWXIKPKHNQE-QGPMSJSTSA-N 0 3 327.472 3.527 20 30 EHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000342410389 1025257067 /nfs/dbraw/zinc/25/70/67/1025257067.db2.gz KIABNGHMIDRWKK-NQIIRXRSSA-N 0 3 349.478 3.711 20 30 EHEDHN CC(C)(C)CCN1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000515772088 1025579463 /nfs/dbraw/zinc/57/94/63/1025579463.db2.gz NJIBCEQGIDVIHY-UHFFFAOYSA-N 0 3 348.878 3.797 20 30 EHEDHN C=CCCn1cc(CNCC2(c3cccs3)CCCCC2)nn1 ZINC000657370687 1025641544 /nfs/dbraw/zinc/64/15/44/1025641544.db2.gz PAZAIJJPAVHRHG-UHFFFAOYSA-N 0 3 330.501 3.907 20 30 EHEDHN CC(C)Oc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1C#N ZINC000444250929 1025971629 /nfs/dbraw/zinc/97/16/29/1025971629.db2.gz LGHCDJKURJWCHI-KFWWJZLASA-N 0 3 329.444 3.545 20 30 EHEDHN CC1(C)[C@H](NCc2cc(C#N)ccc2Br)[C@H]2CCCO[C@H]21 ZINC000451477779 1025991009 /nfs/dbraw/zinc/99/10/09/1025991009.db2.gz IUNHFQYKCAORCD-FVQBIDKESA-N 0 3 349.272 3.614 20 30 EHEDHN COc1ccc(CN2CCC(CSC)CC2)cc1OCCCC#N ZINC000896936694 1026121052 /nfs/dbraw/zinc/12/10/52/1026121052.db2.gz BVYTXSFAJGCZMF-UHFFFAOYSA-N 0 3 348.512 3.953 20 30 EHEDHN CN(C)Cc1ccc(-c2noc(/C=C\c3cccc(C#N)c3)n2)cc1 ZINC000530872894 1026373045 /nfs/dbraw/zinc/37/30/45/1026373045.db2.gz RRMKVLRLXHBAJJ-FLIBITNWSA-N 0 3 330.391 3.840 20 30 EHEDHN N#CCOc1ccc(CN2CCC(N3CCc4ccccc43)CC2)cc1 ZINC000282002468 1026655624 /nfs/dbraw/zinc/65/56/24/1026655624.db2.gz IYCZIAQZCMTYQH-UHFFFAOYSA-N 0 3 347.462 3.616 20 30 EHEDHN CN(Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H]1CCCO1 ZINC000128087592 1026949653 /nfs/dbraw/zinc/94/96/53/1026949653.db2.gz JOAHPDCNCXGZBP-OAQYLSRUSA-N 0 3 336.435 3.748 20 30 EHEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1cccc(N2CCCC2)c1 ZINC000342768279 1026991351 /nfs/dbraw/zinc/99/13/51/1026991351.db2.gz KGSOEGSYNOMVGU-INIZCTEOSA-N 0 3 345.450 3.657 20 30 EHEDHN C=C(C)[C@H](CO)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000685004180 1027029986 /nfs/dbraw/zinc/02/99/86/1027029986.db2.gz JCYOQWDBVDBOPU-HNNXBMFYSA-N 0 3 331.353 3.903 20 30 EHEDHN C=CCN1CC[C@@H](N(C)C[C@H](C)c2ccc(C(F)(F)F)cc2)C1=O ZINC000501874971 1027622422 /nfs/dbraw/zinc/62/24/22/1027622422.db2.gz SOUSHULIBMWEOD-XJKSGUPXSA-N 0 3 340.389 3.528 20 30 EHEDHN C=CCN1CC[C@H](N(C)C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1=O ZINC000501874969 1027622597 /nfs/dbraw/zinc/62/25/97/1027622597.db2.gz SOUSHULIBMWEOD-CJNGLKHVSA-N 0 3 340.389 3.528 20 30 EHEDHN CC(C)(C)c1ccc(-c2cc(NC(=O)[C@@H](N)CCCC#N)on2)cc1 ZINC000582782590 1027688588 /nfs/dbraw/zinc/68/85/88/1027688588.db2.gz CZVBOUQSAWRWPL-HNNXBMFYSA-N 0 3 340.427 3.599 20 30 EHEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000112699321 1027953875 /nfs/dbraw/zinc/95/38/75/1027953875.db2.gz FQEOZKBWQMCLBG-LJQANCHMSA-N 0 3 327.472 3.658 20 30 EHEDHN Fc1ccc(C#CCN[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC000502599019 1028419105 /nfs/dbraw/zinc/41/91/05/1028419105.db2.gz IUUHKASVZHEIAF-FQEVSTJZSA-N 0 3 343.829 3.822 20 30 EHEDHN N#CC1(NC(=O)CN[C@H](c2ccccc2)C2CCCC2)CCCCC1 ZINC000532714517 1028439093 /nfs/dbraw/zinc/43/90/93/1028439093.db2.gz UIZSDCJLLLCALB-HXUWFJFHSA-N 0 3 339.483 3.850 20 30 EHEDHN C=CC[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000523896294 1028700028 /nfs/dbraw/zinc/70/00/28/1028700028.db2.gz SYBVIXZFZHHKQU-HOTGVXAUSA-N 0 3 335.517 3.785 20 30 EHEDHN CC(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000424168684 1028869011 /nfs/dbraw/zinc/86/90/11/1028869011.db2.gz IRYYSKFFCNENKS-LSDHHAIUSA-N 0 3 341.377 3.540 20 30 EHEDHN COc1ccc(C(=O)Nc2cccc(CN[C@@H]3CC[C@H](C#N)C3)c2)cc1 ZINC000424209847 1028871297 /nfs/dbraw/zinc/87/12/97/1028871297.db2.gz ZUQKUVPXHJEWTR-MAUKXSAKSA-N 0 3 349.434 3.729 20 30 EHEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)c2ccccc21 ZINC000424187630 1028875446 /nfs/dbraw/zinc/87/54/46/1028875446.db2.gz JPNRXDPAGGTCSZ-SJKOYZFVSA-N 0 3 329.831 3.692 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCC[C@H](C)C1 ZINC000248541681 1028886622 /nfs/dbraw/zinc/88/66/22/1028886622.db2.gz CBPJOUNGUBUARQ-JKSUJKDBSA-N 0 3 331.435 3.583 20 30 EHEDHN C=CCN(Cc1ccccc1)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000508552606 1029358635 /nfs/dbraw/zinc/35/86/35/1029358635.db2.gz NQVPJBKYUPQNTO-KRWDZBQOSA-N 0 3 339.435 3.815 20 30 EHEDHN CC1(C#N)CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000272592634 1029526169 /nfs/dbraw/zinc/52/61/69/1029526169.db2.gz PPGHKGLATGLVIO-UHFFFAOYSA-N 0 3 340.254 3.948 20 30 EHEDHN CC[C@H](NCc1ccc(-n2nc(C)cc2C)nc1)c1ccc(C#N)cc1 ZINC000278231346 1029748695 /nfs/dbraw/zinc/74/86/95/1029748695.db2.gz KKODUGZUNYUUDB-FQEVSTJZSA-N 0 3 345.450 3.997 20 30 EHEDHN N#C[C@H]1CCC[C@@H](NCc2cc(Br)cc3c2OCC3)C1 ZINC000446761764 1029793653 /nfs/dbraw/zinc/79/36/53/1029793653.db2.gz ZUXIXVQCDDMEFU-XHDPSFHLSA-N 0 3 335.245 3.556 20 30 EHEDHN C=CC[C@@H](C)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272517507 1029815512 /nfs/dbraw/zinc/81/55/12/1029815512.db2.gz XWUCDWVARMEHMS-KUHUBIRLSA-N 0 3 347.455 3.873 20 30 EHEDHN C=CCC[C@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000272885078 1029822700 /nfs/dbraw/zinc/82/27/00/1029822700.db2.gz YNNWVPDTYBKDCM-LPHOPBHVSA-N 0 3 327.472 3.644 20 30 EHEDHN COC[C@H](NCCOc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000583464164 1029867670 /nfs/dbraw/zinc/86/76/70/1029867670.db2.gz HURFUDDLMMCAEM-SFHVURJKSA-N 0 3 330.815 3.568 20 30 EHEDHN N#Cc1ccc2ncc(CN3CCCC[C@@H]3Cc3ccc(F)cc3)n2c1 ZINC000537637845 1030418282 /nfs/dbraw/zinc/41/82/82/1030418282.db2.gz BGROSIWYGZPGMN-LJQANCHMSA-N 0 3 348.425 3.942 20 30 EHEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2)CN1Cc1ccccc1 ZINC000160129021 1030552733 /nfs/dbraw/zinc/55/27/33/1030552733.db2.gz SFFKOYSUGAMJPP-JXFKEZNVSA-N 0 3 348.450 3.537 20 30 EHEDHN C=CCOc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000482931376 1030825190 /nfs/dbraw/zinc/82/51/90/1030825190.db2.gz SWBYMMIODYTPFP-UHFFFAOYSA-N 0 3 343.471 3.734 20 30 EHEDHN CO[C@@]1(C)CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000482973473 1030871665 /nfs/dbraw/zinc/87/16/65/1030871665.db2.gz DYMOXAWGRCONFV-KRWDZBQOSA-N 0 3 341.373 3.828 20 30 EHEDHN C=CCCN(C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000343467049 1031011676 /nfs/dbraw/zinc/01/16/76/1031011676.db2.gz JMFAEFXFRGLLFJ-UHFFFAOYSA-N 0 3 334.261 3.951 20 30 EHEDHN N#CCOc1ccc(CNCc2cccc(-c3cccnc3)c2)cc1 ZINC000178857522 1031736678 /nfs/dbraw/zinc/73/66/78/1031736678.db2.gz SEKMGFUYIDBYHR-UHFFFAOYSA-N 0 3 329.403 3.941 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cccc(CC#N)c1)c1ccco1 ZINC000455904250 1031752441 /nfs/dbraw/zinc/75/24/41/1031752441.db2.gz KEWAKBKOLKWALG-YOEHRIQHSA-N 0 3 340.427 3.597 20 30 EHEDHN N#Cc1cccc(CNC(=O)CNC2(c3ccccc3)CCCCC2)c1 ZINC000477666757 1031758042 /nfs/dbraw/zinc/75/80/42/1031758042.db2.gz MQCLZYXTTZNTTG-UHFFFAOYSA-N 0 3 347.462 3.624 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000179960796 1031824232 /nfs/dbraw/zinc/82/42/32/1031824232.db2.gz AHURPGCTKOAQNP-QGZVFWFLSA-N 0 3 344.455 3.533 20 30 EHEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000026250773 1031953835 /nfs/dbraw/zinc/95/38/35/1031953835.db2.gz UTQUNFVMPYLIHN-UHFFFAOYSA-N 0 3 333.844 3.734 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000598600792 1033310137 /nfs/dbraw/zinc/31/01/37/1033310137.db2.gz KAZXGFUXYAIFMM-KGLIPLIRSA-N 0 3 332.341 3.710 20 30 EHEDHN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H](N)CCCCC#N ZINC000594432567 1033369869 /nfs/dbraw/zinc/36/98/69/1033369869.db2.gz DEBIRJWDLCKKJE-APWZRJJASA-N 0 3 327.472 3.788 20 30 EHEDHN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594435734 1033372673 /nfs/dbraw/zinc/37/26/73/1033372673.db2.gz JNQBPZFVMODJCV-ABAIWWIYSA-N 0 3 342.270 3.924 20 30 EHEDHN CCCc1ccc([C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C)cc1 ZINC000594425135 1033390004 /nfs/dbraw/zinc/39/00/04/1033390004.db2.gz FYRXBUDXPPOUEG-OALUTQOASA-N 0 3 329.488 3.864 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccccc1OCc1ccccc1 ZINC000598699769 1033395926 /nfs/dbraw/zinc/39/59/26/1033395926.db2.gz IVGBBOBBWCYEDT-LJQANCHMSA-N 0 3 338.451 3.656 20 30 EHEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000594498734 1033400246 /nfs/dbraw/zinc/40/02/46/1033400246.db2.gz VBPPOABLWDOXDW-IBGZPJMESA-N 0 3 339.483 3.511 20 30 EHEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000594517697 1033424284 /nfs/dbraw/zinc/42/42/84/1033424284.db2.gz LUDPHPKFUXBWQZ-CQSZACIVSA-N 0 3 347.418 3.619 20 30 EHEDHN N#CCCCOc1cccc(CN2CCC[C@H](OC3CCC3)C2)c1 ZINC000594614621 1033477789 /nfs/dbraw/zinc/47/77/89/1033477789.db2.gz YLOJJAAMMYJUGL-FQEVSTJZSA-N 0 3 328.456 3.903 20 30 EHEDHN N#CC1(NC(=O)CN2CCC[C@@H]2CC2CCCCC2)CCCCC1 ZINC000061040307 1033489298 /nfs/dbraw/zinc/48/92/98/1033489298.db2.gz NEFMQXWEPPBHNU-GOSISDBHSA-N 0 3 331.504 3.764 20 30 EHEDHN N#Cc1cccc(CNCc2cccc(COC[C@H]3CCCO3)c2)c1 ZINC000594999482 1033626712 /nfs/dbraw/zinc/62/67/12/1033626712.db2.gz SXGPCAAZXNQSEK-OAQYLSRUSA-N 0 3 336.435 3.544 20 30 EHEDHN CC(C)(C)OC(=O)[C@@](C)(CNCc1ccc(C#N)o1)c1ccccc1 ZINC000593680780 1033743715 /nfs/dbraw/zinc/74/37/15/1033743715.db2.gz PEJJWLCRHUMNKU-FQEVSTJZSA-N 0 3 340.423 3.540 20 30 EHEDHN N#CC1(C[C@H](O)CN2CCC[C@@H]2c2ccccc2Cl)CCOCC1 ZINC000599265396 1033842250 /nfs/dbraw/zinc/84/22/50/1033842250.db2.gz QZQDBWVJBRMFHZ-MAUKXSAKSA-N 0 3 348.874 3.548 20 30 EHEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cc(F)c(Cl)cc1Cl ZINC000599345079 1033879651 /nfs/dbraw/zinc/87/96/51/1033879651.db2.gz LPJDIDRPBNVZMQ-VHSXEESVSA-N 0 3 331.218 3.838 20 30 EHEDHN N#Cc1cccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000609018039 1033979044 /nfs/dbraw/zinc/97/90/44/1033979044.db2.gz NDQZILMRLPCBJG-HXUWFJFHSA-N 0 3 333.435 3.515 20 30 EHEDHN CC(C)(C)OC(=O)[C@H](CNCc1ccc(C#N)cc1F)C1CCC1 ZINC000596061599 1034064925 /nfs/dbraw/zinc/06/49/25/1034064925.db2.gz BLFWSVJSVSTIAP-MRXNPFEDSA-N 0 3 332.419 3.545 20 30 EHEDHN CC[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1cc(C)ccc1C ZINC000599640197 1034065595 /nfs/dbraw/zinc/06/55/95/1034065595.db2.gz GZBRNLAXGLUGLB-HXUWFJFHSA-N 0 3 335.451 3.532 20 30 EHEDHN CC[C@H](NCC(=O)Nc1sccc1C#N)c1cc(C)ccc1C ZINC000599641566 1034067300 /nfs/dbraw/zinc/06/73/00/1034067300.db2.gz UZXKCZHJPKCBIV-INIZCTEOSA-N 0 3 327.453 3.916 20 30 EHEDHN Cc1cc(NC[C@H](c2ccc(F)cc2)N(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596084514 1034073089 /nfs/dbraw/zinc/07/30/89/1034073089.db2.gz AQYRBBOPONUTEI-QGZVFWFLSA-N 0 3 342.374 3.629 20 30 EHEDHN C=CCN1CCC(NC(=O)/C=C\c2ccccc2O[C@@H](C)CC)CC1 ZINC000255668770 1034089203 /nfs/dbraw/zinc/08/92/03/1034089203.db2.gz AJLFKPNQYGRHDC-MQNTZWLQSA-N 0 3 342.483 3.644 20 30 EHEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1c1nc(C#N)c(Cl)s1 ZINC000596150958 1034095270 /nfs/dbraw/zinc/09/52/70/1034095270.db2.gz GCGZTSWHEPUJIF-CYBMUJFWSA-N 0 3 346.887 3.769 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596218880 1034123978 /nfs/dbraw/zinc/12/39/78/1034123978.db2.gz NFAOANLQJLERDN-RISCZKNCSA-N 0 3 332.860 3.601 20 30 EHEDHN CN(C)Cc1cccc(NC(=O)NC(C)(C)c2cccc(C#N)c2)c1 ZINC000596455427 1034265394 /nfs/dbraw/zinc/26/53/94/1034265394.db2.gz YTCFUHXOJHAQLI-UHFFFAOYSA-N 0 3 336.439 3.677 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(OC(F)F)cc2)cc1 ZINC000171562816 1034461414 /nfs/dbraw/zinc/46/14/14/1034461414.db2.gz MZQLJLNAHXNULX-CYBMUJFWSA-N 0 3 332.350 3.869 20 30 EHEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1OCCc2ccccc21 ZINC000596999045 1034500566 /nfs/dbraw/zinc/50/05/66/1034500566.db2.gz AAXLEIVEUWCHRJ-OAQYLSRUSA-N 0 3 332.447 3.988 20 30 EHEDHN N#CC1(c2ccc(CN3CCC[C@H](c4noc(C5CC5)n4)C3)cc2)CC1 ZINC000597028394 1034502594 /nfs/dbraw/zinc/50/25/94/1034502594.db2.gz YAMDBAVKPXSQRF-KRWDZBQOSA-N 0 3 348.450 3.882 20 30 EHEDHN Cn1ncc2c1CC(C)(C)CN(Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000597259083 1034632422 /nfs/dbraw/zinc/63/24/22/1034632422.db2.gz WQPQVTMBQFBVAD-UHFFFAOYSA-N 0 3 334.467 3.560 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](CC)c2ccc3c(c2)OCCO3)cc1 ZINC000172114889 1034819357 /nfs/dbraw/zinc/81/93/57/1034819357.db2.gz HBTHQZFDLIIXTL-IBGZPJMESA-N 0 3 337.419 3.711 20 30 EHEDHN N#Cc1csc(CNC[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000177703434 1035339471 /nfs/dbraw/zinc/33/94/71/1035339471.db2.gz MJVVZSZHBIXSJX-AWEZNQCLSA-N 0 3 327.236 3.750 20 30 EHEDHN CCc1oc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000177843474 1035413604 /nfs/dbraw/zinc/41/36/04/1035413604.db2.gz JURMKBXOPMYESN-ZDUSSCGKSA-N 0 3 330.771 3.765 20 30 EHEDHN N#CC(C(=O)c1cc(-c2ccoc2)[nH]n1)c1ccc2ccccc2n1 ZINC000613292715 1035500826 /nfs/dbraw/zinc/50/08/26/1035500826.db2.gz QUHKYZIKZRMKFF-CQSZACIVSA-N 0 3 328.331 3.708 20 30 EHEDHN N#Cc1cccc(CN2CCC(CN3CCc4ccccc43)CC2)c1 ZINC000511484011 1035601920 /nfs/dbraw/zinc/60/19/20/1035601920.db2.gz WIQQFBLOWMHPFH-UHFFFAOYSA-N 0 3 331.463 3.833 20 30 EHEDHN N#Cc1ccc(SC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000582196016 1035725261 /nfs/dbraw/zinc/72/52/61/1035725261.db2.gz DIJNXRBZXXWUEK-IBGZPJMESA-N 0 3 338.476 3.941 20 30 EHEDHN CC(C)OCCN1CCC(Nc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613425748 1035827638 /nfs/dbraw/zinc/82/76/38/1035827638.db2.gz FEVMIXSIBMHYEV-UHFFFAOYSA-N 0 3 344.503 3.552 20 30 EHEDHN Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC(CC#N)CC1 ZINC000540995750 1035868428 /nfs/dbraw/zinc/86/84/28/1035868428.db2.gz RQQXKJHDYGNZGK-UHFFFAOYSA-N 0 3 328.847 3.960 20 30 EHEDHN CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000588374688 1035916559 /nfs/dbraw/zinc/91/65/59/1035916559.db2.gz VIAGQBZUHKVQET-KRWDZBQOSA-N 0 3 342.487 3.527 20 30 EHEDHN C=CCc1cc(CN(Cc2ccccc2)C[C@H](C)O)cc(OC)c1O ZINC000535080298 1036007951 /nfs/dbraw/zinc/00/79/51/1036007951.db2.gz SSJQSOUGIRIPNX-INIZCTEOSA-N 0 3 341.451 3.512 20 30 EHEDHN N#CCc1ccc(CNCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000572242660 1036054827 /nfs/dbraw/zinc/05/48/27/1036054827.db2.gz WAFBJQSQLPMXFE-UHFFFAOYSA-N 0 3 334.341 3.984 20 30 EHEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2)cc1 ZINC000178183583 1036115482 /nfs/dbraw/zinc/11/54/82/1036115482.db2.gz SGOPRBOCTCLJIC-CQSZACIVSA-N 0 3 344.842 3.768 20 30 EHEDHN C#CCN(C(=O)Nc1cccc(CN(C)C)c1)[C@H]1CCc2ccccc21 ZINC000170706477 1036128886 /nfs/dbraw/zinc/12/88/86/1036128886.db2.gz VJWALNJFJVAJMJ-NRFANRHFSA-N 0 3 347.462 3.903 20 30 EHEDHN Cc1c(Cl)cnc(NC[C@@H](c2ccc(F)cc2)N(C)C)c1C#N ZINC000541277604 1036134570 /nfs/dbraw/zinc/13/45/70/1036134570.db2.gz IMIDELTVUYZPNU-INIZCTEOSA-N 0 3 332.810 3.769 20 30 EHEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000572766885 1036512048 /nfs/dbraw/zinc/51/20/48/1036512048.db2.gz QAVOBJJGGWOYQH-RTBURBONSA-N 0 3 325.843 3.747 20 30 EHEDHN N#Cc1ccc(CNC[C@H](c2ccccc2Cl)N2CCCC2)o1 ZINC000539418520 1036740311 /nfs/dbraw/zinc/74/03/11/1036740311.db2.gz FKGXCMBYZJXUTP-GOSISDBHSA-N 0 3 329.831 3.731 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C2CC2)C2CCC(CC)CC2)CC1 ZINC000178089931 1036993100 /nfs/dbraw/zinc/99/31/00/1036993100.db2.gz OWRJKKBNLDRLMM-UHFFFAOYSA-N 0 3 333.520 3.780 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000491452082 1037479445 /nfs/dbraw/zinc/47/94/45/1037479445.db2.gz IERJCLUTWYZPFK-WBVHZDCISA-N 0 3 343.471 3.856 20 30 EHEDHN CCCC[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000151652996 1037517195 /nfs/dbraw/zinc/51/71/95/1037517195.db2.gz GVWDJIIBTRTTKV-CYBMUJFWSA-N 0 3 337.489 3.793 20 30 EHEDHN C#C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000491655501 1037607893 /nfs/dbraw/zinc/60/78/93/1037607893.db2.gz HRUJSPXHJUKXKO-QFIPXVFZSA-N 0 3 347.437 3.626 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)CC1 ZINC000592068610 1037827357 /nfs/dbraw/zinc/82/73/57/1037827357.db2.gz CYIWGWBVPWQLQI-UHFFFAOYSA-N 0 3 339.483 3.846 20 30 EHEDHN CC(C)(C)C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(F)cc1 ZINC000540354101 1037834325 /nfs/dbraw/zinc/83/43/25/1037834325.db2.gz LEYRCJXVNRFKGB-FXAWDEMLSA-N 0 3 345.462 3.701 20 30 EHEDHN Cc1ccccc1[C@H](CC(C)C)NCC(=O)NCc1ccc(C#N)cc1 ZINC000540358659 1037862240 /nfs/dbraw/zinc/86/22/40/1037862240.db2.gz GALPREQYVXSNLC-NRFANRHFSA-N 0 3 349.478 3.860 20 30 EHEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000540404390 1037898773 /nfs/dbraw/zinc/89/87/73/1037898773.db2.gz MVRRDQLABLCESI-QGZVFWFLSA-N 0 3 327.472 3.639 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158887 1037900529 /nfs/dbraw/zinc/90/05/29/1037900529.db2.gz LQZOKSXHLXCUOT-UHFFFAOYSA-N 0 3 328.456 3.811 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)CC1 ZINC000173160908 1037957066 /nfs/dbraw/zinc/95/70/66/1037957066.db2.gz UMTCQBXDXIDPBB-QGZVFWFLSA-N 0 3 343.515 3.832 20 30 EHEDHN C=CCC[C@H](C(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000470178936 1038567719 /nfs/dbraw/zinc/56/77/19/1038567719.db2.gz PXTQARQXZMJZGI-PMACEKPBSA-N 0 3 326.484 3.870 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000461934084 1038682919 /nfs/dbraw/zinc/68/29/19/1038682919.db2.gz YLDAGAQBMNOIOV-FVJLSDCUSA-N 0 3 347.462 3.613 20 30 EHEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)C[C@H]1CC=CCC1 ZINC000544111770 1038707162 /nfs/dbraw/zinc/70/71/62/1038707162.db2.gz ZUOGJZMPCIDIJV-KBPBESRZSA-N 0 3 343.496 3.724 20 30 EHEDHN Cc1cccc2c1CC[C@@H]2N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485332244 1038920167 /nfs/dbraw/zinc/92/01/67/1038920167.db2.gz QNGKALJXPJYJLT-LEWJYISDSA-N 0 3 345.446 3.639 20 30 EHEDHN COC(=O)CCCN(Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000488205120 1038961880 /nfs/dbraw/zinc/96/18/80/1038961880.db2.gz UAOLPKYLMWVLOF-UHFFFAOYSA-N 0 3 336.435 3.822 20 30 EHEDHN Cc1csc(C2(NCCOc3cccc(C#N)c3)CCCC2)n1 ZINC000175021030 1039003482 /nfs/dbraw/zinc/00/34/82/1039003482.db2.gz XDNNDIQADPIAKT-UHFFFAOYSA-N 0 3 327.453 3.761 20 30 EHEDHN CC(C)N(C)CC(=O)N(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001142586669 1039383189 /nfs/dbraw/zinc/38/31/89/1039383189.db2.gz GZQSFZBMDOEALL-SFHVURJKSA-N 0 3 349.478 3.988 20 30 EHEDHN Cc1ccccc1[C@H](C(C)C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000488809288 1039411391 /nfs/dbraw/zinc/41/13/91/1039411391.db2.gz XGSMKLMQRVULIH-VQTJNVASSA-N 0 3 329.488 3.678 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(-c3ccc(C=O)cc3)cc2)CC1 ZINC000906594325 1039673760 /nfs/dbraw/zinc/67/37/60/1039673760.db2.gz XVACLVGDUUBTLI-UHFFFAOYSA-N 0 3 348.446 3.546 20 30 EHEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000912102333 1039686522 /nfs/dbraw/zinc/68/65/22/1039686522.db2.gz KCMOPOHWMFKAAC-DOTOQJQBSA-N 0 3 332.444 3.776 20 30 EHEDHN C=C(C)Cn1c(C(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000549697996 1039703727 /nfs/dbraw/zinc/70/37/27/1039703727.db2.gz BCRYFAQLWAYSDM-UHFFFAOYSA-N 0 3 333.524 3.536 20 30 EHEDHN CN(C/C=C/c1ccc(F)cc1F)CCOCc1ccc(C#N)cc1 ZINC000584808465 1039924968 /nfs/dbraw/zinc/92/49/68/1039924968.db2.gz RFWXETXTYYEXBC-NSCUHMNNSA-N 0 3 342.389 3.998 20 30 EHEDHN C=CCc1cccc(C(C)C)c1NC(=O)c1ccnn1CCN(C)C ZINC000907676089 1040127288 /nfs/dbraw/zinc/12/72/88/1040127288.db2.gz HYMANPGQZVVSJE-UHFFFAOYSA-N 0 3 340.471 3.549 20 30 EHEDHN C=CCOc1ccccc1CN1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000512561755 1040131026 /nfs/dbraw/zinc/13/10/26/1040131026.db2.gz MBPMKAOMEZIYPB-MJGOQNOKSA-N 0 3 344.499 3.768 20 30 EHEDHN CC(C)(C#N)c1ccc(CN2CCCN(c3nccs3)CC2)cc1 ZINC000614160563 1040315266 /nfs/dbraw/zinc/31/52/66/1040315266.db2.gz DTSJYFZZFWBSII-UHFFFAOYSA-N 0 3 340.496 3.657 20 30 EHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCc2ccccc2C1 ZINC000512640956 1040378229 /nfs/dbraw/zinc/37/82/29/1040378229.db2.gz BUCAEBMKSMQJBN-HOTGVXAUSA-N 0 3 337.442 3.795 20 30 EHEDHN C[C@@H]1C[C@H](C)CN(C(=O)CN[C@@H](CCCC#N)c2ccccc2)C1 ZINC000433017988 1040462157 /nfs/dbraw/zinc/46/21/57/1040462157.db2.gz DTXRMZIBWZCUSD-SCTDSRPQSA-N 0 3 327.472 3.516 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000433017578 1040462260 /nfs/dbraw/zinc/46/22/60/1040462260.db2.gz ZAVDJFUAAZYUGZ-SFHVURJKSA-N 0 3 343.377 3.928 20 30 EHEDHN COc1ccccc1O[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000512669067 1040471493 /nfs/dbraw/zinc/47/14/93/1040471493.db2.gz YOHXDFYGPLNFKU-UONOGXRCSA-N 0 3 328.387 3.824 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)SCCN(C)Cc1ccccc1 ZINC000433021083 1040476208 /nfs/dbraw/zinc/47/62/08/1040476208.db2.gz FJIHAWWGPLGFCL-QGZVFWFLSA-N 0 3 334.529 3.665 20 30 EHEDHN CCOc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1OC ZINC000236959162 1040501319 /nfs/dbraw/zinc/50/13/19/1040501319.db2.gz YZOPTQVSZOKFGT-HNNXBMFYSA-N 0 3 340.423 3.675 20 30 EHEDHN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(CN(CC)CC)cc1 ZINC000908643594 1040551800 /nfs/dbraw/zinc/55/18/00/1040551800.db2.gz IDABLPZLJIZTMB-IBGZPJMESA-N 0 3 342.483 3.668 20 30 EHEDHN CCOC(=O)c1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)[nH]c1C ZINC000418136197 1040634301 /nfs/dbraw/zinc/63/43/01/1040634301.db2.gz AFEKNWPAYLRIKU-LJQANCHMSA-N 0 3 337.423 3.539 20 30 EHEDHN C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000487197934 1040784581 /nfs/dbraw/zinc/78/45/81/1040784581.db2.gz GLKROFYIIUZHEW-DZFGPLHGSA-N 0 3 349.478 3.567 20 30 EHEDHN COc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1Cn1cccn1 ZINC000151390747 1040850195 /nfs/dbraw/zinc/85/01/95/1040850195.db2.gz GPZLDZDOQQHTOH-MRXNPFEDSA-N 0 3 346.434 3.662 20 30 EHEDHN CS[C@@H](C)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000156340411 1041125509 /nfs/dbraw/zinc/12/55/09/1041125509.db2.gz IMLNWYDIVVONJT-SWLSCSKDSA-N 0 3 326.421 3.629 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)SC)cc1 ZINC000156339556 1041126280 /nfs/dbraw/zinc/12/62/80/1041126280.db2.gz LRFHSIWGTWASHX-CZUORRHYSA-N 0 3 332.469 3.818 20 30 EHEDHN C=C(C)[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000187754704 1041160336 /nfs/dbraw/zinc/16/03/36/1041160336.db2.gz PUTQQZBYDRMCCS-MOPGFXCFSA-N 0 3 328.362 3.777 20 30 EHEDHN Cc1nc(N2CCN(Cc3cccc4ccccc43)CC2)ccc1C#N ZINC000487904554 1041169873 /nfs/dbraw/zinc/16/98/73/1041169873.db2.gz GLKJFJDCZUYBTR-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000053749256 1041421975 /nfs/dbraw/zinc/42/19/75/1041421975.db2.gz DKYVDGYNBNMEMD-BEFAXECRSA-N 0 3 334.423 3.515 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000053749289 1041424054 /nfs/dbraw/zinc/42/40/54/1041424054.db2.gz JCCBGENZSNYFPG-KXBFYZLASA-N 0 3 334.423 3.515 20 30 EHEDHN C#CCCCN1CCC[C@@H]1c1ccccc1I ZINC000766904630 1132916907 /nfs/dbraw/zinc/91/69/07/1132916907.db2.gz AHKNYLANOKYBDO-OAHLLOKOSA-N 0 3 339.220 3.842 20 30 EHEDHN C=CCN(Cc1ccc(OCc2cccnc2)cc1)[C@@H](C)COC ZINC000661243914 1042025256 /nfs/dbraw/zinc/02/52/56/1042025256.db2.gz PNPWILHKANJKNU-KRWDZBQOSA-N 0 3 326.440 3.684 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000662078288 1042499058 /nfs/dbraw/zinc/49/90/58/1042499058.db2.gz AIIQQOKGBSVOFV-XFFJZGRBSA-N 0 3 328.500 3.643 20 30 EHEDHN CC[C@@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(C#N)cc1 ZINC000278889854 1042845355 /nfs/dbraw/zinc/84/53/55/1042845355.db2.gz YLTTXLMIXQVHFI-HXUWFJFHSA-N 0 3 333.435 3.691 20 30 EHEDHN C[C@H](N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(C#N)cc1 ZINC000344309045 1043633644 /nfs/dbraw/zinc/63/36/44/1043633644.db2.gz URJVVRYZAFREAE-XJKSGUPXSA-N 0 3 339.826 3.668 20 30 EHEDHN Cc1cccc(CN(C)Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000279354950 1043992254 /nfs/dbraw/zinc/99/22/54/1043992254.db2.gz GPCHTAZWRHOAJF-UHFFFAOYSA-N 0 3 345.450 3.799 20 30 EHEDHN N#Cc1ccc(OCCN[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000182145017 1044434890 /nfs/dbraw/zinc/43/48/90/1044434890.db2.gz PISXYRVNTFFDFJ-SFHVURJKSA-N 0 3 326.371 3.580 20 30 EHEDHN C#CCC1(NCc2ncc(Br)cc2F)CCCCC1 ZINC001198084270 1135770703 /nfs/dbraw/zinc/77/07/03/1135770703.db2.gz GEQOEXNDDXCOSZ-UHFFFAOYSA-N 0 3 325.225 3.799 20 30 EHEDHN C=CCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)C(C)(C)C ZINC000622943428 1126833806 /nfs/dbraw/zinc/83/38/06/1126833806.db2.gz AUFNPPUMDHVHPL-UHFFFAOYSA-N 0 3 343.515 3.644 20 30 EHEDHN Cc1cc(CNCc2ccc(OCC#N)cc2)ccc1Br ZINC000072738067 1126872196 /nfs/dbraw/zinc/87/21/96/1126872196.db2.gz UIQJBSJGRWUPHE-UHFFFAOYSA-N 0 3 345.240 3.950 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)CCc2ccccc2)CC1 ZINC000106338449 1128491174 /nfs/dbraw/zinc/49/11/74/1128491174.db2.gz JACYJGFTDYJDTG-UHFFFAOYSA-N 0 3 343.515 3.738 20 30 EHEDHN N#Cc1ccc(N2CCCC[C@@H](N3CCCC3)C2)c(Br)c1 ZINC000301846476 1128607981 /nfs/dbraw/zinc/60/79/81/1128607981.db2.gz AUMRPSYMELHMQB-OAHLLOKOSA-N 0 3 348.288 3.775 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC000307042081 1128808767 /nfs/dbraw/zinc/80/87/67/1128808767.db2.gz AQSOMQWLMVJZKF-DGCLKSJQSA-N 0 3 332.860 3.601 20 30 EHEDHN Cc1occc1CN(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000063559675 1128886310 /nfs/dbraw/zinc/88/63/10/1128886310.db2.gz MCTZMYVSCYSQFK-UHFFFAOYSA-N 0 3 331.803 3.574 20 30 EHEDHN N#Cc1cccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000075984756 1128896316 /nfs/dbraw/zinc/89/63/16/1128896316.db2.gz ALVYDPYPLWAGFF-LJQANCHMSA-N 0 3 334.423 3.517 20 30 EHEDHN C[C@@H](CC(=O)Nc1ccc(F)cc1)NC1(c2cccc(C#N)c2)CC1 ZINC000272174394 1120439665 /nfs/dbraw/zinc/43/96/65/1120439665.db2.gz DPWIZLDWDOPVBJ-AWEZNQCLSA-N 0 3 337.398 3.693 20 30 EHEDHN C=CCOc1ccccc1CN1CCC(C(=O)NCCCCC)CC1 ZINC000153007315 1120527174 /nfs/dbraw/zinc/52/71/74/1120527174.db2.gz IAVXPLABVNTHKG-UHFFFAOYSA-N 0 3 344.499 3.770 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000921932882 1128937206 /nfs/dbraw/zinc/93/72/06/1128937206.db2.gz SLWQJIQLRBOQAL-NPMXOYFQSA-N 0 3 326.465 3.763 20 30 EHEDHN CC[C@@H](C/N=C/c1cc(OC)ccc1O)N1CCc2ccccc2C1 ZINC000914702036 1120955856 /nfs/dbraw/zinc/95/58/56/1120955856.db2.gz VKRKFNAKJYECFD-MEGCXXLRSA-N 0 3 338.451 3.657 20 30 EHEDHN Cn1cc(CN2CCC[C@H]2c2ccc[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000272278998 1121509830 /nfs/dbraw/zinc/50/98/30/1121509830.db2.gz MKAMIICZNFBDQG-IBGZPJMESA-N 0 3 331.423 3.624 20 30 EHEDHN C=CCN1CCC(NC(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000171723031 1121514707 /nfs/dbraw/zinc/51/47/07/1121514707.db2.gz NGAFJRGVOJOAFC-UHFFFAOYSA-N 0 3 332.831 3.775 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(O[C@@H](C)CC)cc2)CC1 ZINC000171738476 1121662657 /nfs/dbraw/zinc/66/26/57/1121662657.db2.gz ZXRRLLMUKFRARU-HNNXBMFYSA-N 0 3 331.460 3.636 20 30 EHEDHN Cc1nc(C(C)C)sc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000916899330 1122382275 /nfs/dbraw/zinc/38/22/75/1122382275.db2.gz PVJGXUSRWSGYFI-CQSZACIVSA-N 0 3 341.436 3.845 20 30 EHEDHN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1cccc(C#N)c1 ZINC000497289253 1122437292 /nfs/dbraw/zinc/43/72/92/1122437292.db2.gz LFPSUIFSKLBKGX-OAHLLOKOSA-N 0 3 335.407 3.708 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccccc3)CC2(C)C)CC1 ZINC000917142249 1122536049 /nfs/dbraw/zinc/53/60/49/1122536049.db2.gz WUHLUDBAHKPKEZ-SFHVURJKSA-N 0 3 341.499 3.615 20 30 EHEDHN C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1n1ccnc1 ZINC000129623523 1122812635 /nfs/dbraw/zinc/81/26/35/1122812635.db2.gz NBWVSMAZZMABMX-YJBOKZPZSA-N 0 3 347.384 3.837 20 30 EHEDHN C#CCOc1ccccc1CN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000920956674 1123442460 /nfs/dbraw/zinc/44/24/60/1123442460.db2.gz UYBCPZCORUJVNF-KRWDZBQOSA-N 0 3 331.419 3.735 20 30 EHEDHN CS[C@H]1CCCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000134613373 1123536449 /nfs/dbraw/zinc/53/64/49/1123536449.db2.gz XIYLKLIQZYNNPA-WMZOPIPTSA-N 0 3 345.512 3.539 20 30 EHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccccc3F)C2)c(F)c1 ZINC000237830692 1123876248 /nfs/dbraw/zinc/87/62/48/1123876248.db2.gz FWAWDCMAINWPIE-MRXNPFEDSA-N 0 3 327.378 3.595 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCc3ccccc3[C@@H]2CC)CC1 ZINC000114596580 1129168615 /nfs/dbraw/zinc/16/86/15/1129168615.db2.gz XZXRRZXHZLJBOS-FQEVSTJZSA-N 0 3 341.499 3.746 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc(OC3CCCCC3)cc2)CC1 ZINC000734780626 1131277944 /nfs/dbraw/zinc/27/79/44/1131277944.db2.gz SKEYDDTZWMPEDK-UHFFFAOYSA-N 0 3 340.467 3.682 20 30 EHEDHN N#CC(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1nc2ccccc2[nH]1 ZINC000734964059 1131296956 /nfs/dbraw/zinc/29/69/56/1131296956.db2.gz SAFSHKOEDSUPDZ-SDDRHHMPSA-N 0 3 337.329 3.821 20 30 EHEDHN CC(C)(C#N)c1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000618312206 1125043882 /nfs/dbraw/zinc/04/38/82/1125043882.db2.gz LIZQRNXJQVROGN-GOEBONIOSA-N 0 3 340.389 3.623 20 30 EHEDHN CCN(CCc1ccccn1)Cc1cc(Cl)ccc1OCC#N ZINC000735308576 1131333788 /nfs/dbraw/zinc/33/37/88/1131333788.db2.gz JRLMFUQXIWPESD-UHFFFAOYSA-N 0 3 329.831 3.702 20 30 EHEDHN COCCOc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618802507 1125195931 /nfs/dbraw/zinc/19/59/31/1125195931.db2.gz FHHYTSSPASCHQD-BTYIYWSLSA-N 0 3 336.435 3.922 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182573050 1125331802 /nfs/dbraw/zinc/33/18/02/1125331802.db2.gz ISPKTSWRFRPSOB-RTBURBONSA-N 0 3 347.890 3.825 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182573108 1125331990 /nfs/dbraw/zinc/33/19/90/1125331990.db2.gz ISPKTSWRFRPSOB-OALUTQOASA-N 0 3 347.890 3.825 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182575794 1125336239 /nfs/dbraw/zinc/33/62/39/1125336239.db2.gz ANRNWESEVRYFGG-AUUYWEPGSA-N 0 3 347.890 3.779 20 30 EHEDHN C=CCOc1cccc(CN2CCC(C(=O)NCCCCC)CC2)c1 ZINC000153000152 1125415388 /nfs/dbraw/zinc/41/53/88/1125415388.db2.gz PRKCCJXFOLCKHS-UHFFFAOYSA-N 0 3 344.499 3.770 20 30 EHEDHN C[C@H](CNCc1cc(C#N)ccc1Br)c1ccccn1 ZINC000922234682 1129385681 /nfs/dbraw/zinc/38/56/81/1129385681.db2.gz MKLSPDYHXDQVTB-GFCCVEGCSA-N 0 3 330.229 3.609 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000466367592 1129406576 /nfs/dbraw/zinc/40/65/76/1129406576.db2.gz WZNQHPCFKSPQEY-PKOBYXMFSA-N 0 3 329.488 3.647 20 30 EHEDHN N#Cc1ccccc1N1CCCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000509093860 1129739834 /nfs/dbraw/zinc/73/98/34/1129739834.db2.gz KFBWJDGBXGEDJJ-HYXAFXHYSA-N 0 3 335.426 3.923 20 30 EHEDHN CN(C(=O)CN(CC1CCCCC1)C1CC1)C1(C#N)CCCCC1 ZINC000059391051 1129986166 /nfs/dbraw/zinc/98/61/66/1129986166.db2.gz PXVGYOBMGAYIQZ-UHFFFAOYSA-N 0 3 331.504 3.716 20 30 EHEDHN C[C@@H](NCC1CCC(C#N)CC1)c1ncc(Br)s1 ZINC000282516838 1129987453 /nfs/dbraw/zinc/98/74/53/1129987453.db2.gz ZKKGNYMACNZTKV-KPPDAEKUSA-N 0 3 328.279 3.886 20 30 EHEDHN CCS[C@@H]1CCCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000738222745 1131463996 /nfs/dbraw/zinc/46/39/96/1131463996.db2.gz SWJIHUBJFMGTSY-GOSISDBHSA-N 0 3 340.496 3.987 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1C#N ZINC000742366113 1131710103 /nfs/dbraw/zinc/71/01/03/1131710103.db2.gz KSYSYCPNIMIULS-HNNXBMFYSA-N 0 3 332.407 3.603 20 30 EHEDHN COc1ccc(CN[C@H](CN2CCCCC2)c2ccccc2)cc1C#N ZINC000742369589 1131716202 /nfs/dbraw/zinc/71/62/02/1131716202.db2.gz MYZXNSYCODJGDF-OAQYLSRUSA-N 0 3 349.478 3.884 20 30 EHEDHN C=CCc1cc(CNCc2cccc(COC)c2)cc(OC)c1OC ZINC000742370466 1131716911 /nfs/dbraw/zinc/71/69/11/1131716911.db2.gz VXIJOLSCSBJWIL-UHFFFAOYSA-N 0 3 341.451 3.869 20 30 EHEDHN N#Cc1ccc(OC2CCN(Cc3ccc(O)cc3)CC2)cc1Cl ZINC001204098025 1131824225 /nfs/dbraw/zinc/82/42/25/1131824225.db2.gz SDPIXFHZJLBBJQ-UHFFFAOYSA-N 0 3 342.826 3.961 20 30 EHEDHN CCCOC1CCC(N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001173101511 1131966031 /nfs/dbraw/zinc/96/60/31/1131966031.db2.gz OQTGJYZKCGHPPI-UHFFFAOYSA-N 0 3 345.462 3.557 20 30 EHEDHN COc1cccc2c1C[C@@H](N1CCC(C#Cc3ccccc3)CC1)CO2 ZINC001173167598 1131999163 /nfs/dbraw/zinc/99/91/63/1131999163.db2.gz HPYOWEBYIWGSDW-HXUWFJFHSA-N 0 3 347.458 3.762 20 30 EHEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000744026569 1132005775 /nfs/dbraw/zinc/00/57/75/1132005775.db2.gz YFNGWEYBABZLLV-SMDDNHRTSA-N 0 3 330.771 3.693 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 ZINC000744032604 1132014265 /nfs/dbraw/zinc/01/42/65/1132014265.db2.gz MGALLHVLMSFXMK-ONGXEEELSA-N 0 3 334.734 3.523 20 30 EHEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C1CCC(CC#N)CC1 ZINC001173331754 1132050732 /nfs/dbraw/zinc/05/07/32/1132050732.db2.gz SSSOLCCUUARYDX-RYTJFDOTSA-N 0 3 335.492 3.789 20 30 EHEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C1CCC(CC#N)CC1 ZINC001173336964 1132053146 /nfs/dbraw/zinc/05/31/46/1132053146.db2.gz SSSOLCCUUARYDX-NUWOQIAWSA-N 0 3 335.492 3.789 20 30 EHEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C1CCC(C)(C#N)CC1 ZINC001173593535 1132097715 /nfs/dbraw/zinc/09/77/15/1132097715.db2.gz KIHOOWDHJUORRU-YZWVMBDNSA-N 0 3 335.492 3.789 20 30 EHEDHN CC(C)C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000745986664 1132344209 /nfs/dbraw/zinc/34/42/09/1132344209.db2.gz OFISYPLBJARVQV-HUUCEWRRSA-N 0 3 341.480 3.841 20 30 EHEDHN COC(=O)c1cc(C#N)ccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506558 1132694427 /nfs/dbraw/zinc/69/44/27/1132694427.db2.gz GHPLVFSXISOFBK-UHFFFAOYSA-N 0 3 347.418 3.547 20 30 EHEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC001169900700 1132892538 /nfs/dbraw/zinc/89/25/38/1132892538.db2.gz NYDGKQWQCAYJDF-RTBURBONSA-N 0 3 344.842 3.565 20 30 EHEDHN CC[C@@H](CSC)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000773702804 1133094502 /nfs/dbraw/zinc/09/45/02/1133094502.db2.gz RKFXAVFERYWUQA-STQMWFEESA-N 0 3 347.509 3.546 20 30 EHEDHN N#Cc1cc(F)c(NC(=O)C(C#N)Cc2cccs2)c(Cl)c1 ZINC001177916891 1133113038 /nfs/dbraw/zinc/11/30/38/1133113038.db2.gz MHNVKBXPWZGLAN-SNVBAGLBSA-N 0 3 333.775 3.733 20 30 EHEDHN C#CCOc1ccccc1CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000768234686 1133116287 /nfs/dbraw/zinc/11/62/87/1133116287.db2.gz MZQVGVOAIWQDSD-UHFFFAOYSA-N 0 3 343.430 3.864 20 30 EHEDHN CC(C)C[C@@H](CNCc1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC001178991704 1133220167 /nfs/dbraw/zinc/22/01/67/1133220167.db2.gz DYWTWEOAMGFRKB-INIZCTEOSA-N 0 3 334.435 3.791 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000769195797 1133242254 /nfs/dbraw/zinc/24/22/54/1133242254.db2.gz PMJWFXJIVXNOTJ-QGZVFWFLSA-N 0 3 346.471 3.598 20 30 EHEDHN COc1cc(CN2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC001180142948 1133331535 /nfs/dbraw/zinc/33/15/35/1133331535.db2.gz SHBBTZFKBWIHCJ-ROUUACIJSA-N 0 3 349.478 3.662 20 30 EHEDHN C[C@@]1(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCCS1 ZINC001181373716 1133481686 /nfs/dbraw/zinc/48/16/86/1133481686.db2.gz QZALSJGMKGLNKM-ROUUACIJSA-N 0 3 349.931 3.808 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc(-c2ccncc2)cs1)c1ccccc1 ZINC000772643529 1133711085 /nfs/dbraw/zinc/71/10/85/1133711085.db2.gz BZQRVSYNRACGJV-MRXNPFEDSA-N 0 3 348.431 3.518 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)cc1 ZINC000786311736 1133835690 /nfs/dbraw/zinc/83/56/90/1133835690.db2.gz MIZQHDXJLTXDPU-MRXNPFEDSA-N 0 3 325.412 3.616 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC(C)(C)c2ccccc2)c1 ZINC000786548385 1133873388 /nfs/dbraw/zinc/87/33/88/1133873388.db2.gz KPPBVXBUQHBHBN-LJQANCHMSA-N 0 3 348.446 3.688 20 30 EHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(N2CCOC2=O)cc1 ZINC000787034199 1133940969 /nfs/dbraw/zinc/94/09/69/1133940969.db2.gz SIPDBKUYAJPRMN-VBKZILBWSA-N 0 3 347.418 3.853 20 30 EHEDHN CCCCC[C@H](CC)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787065666 1133943886 /nfs/dbraw/zinc/94/38/86/1133943886.db2.gz ABDGBJKHUMSDQE-ZWKOTPCHSA-N 0 3 328.456 3.960 20 30 EHEDHN CC[C@H](C)N[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C#N)c1ccco1 ZINC001186404893 1134208914 /nfs/dbraw/zinc/20/89/14/1134208914.db2.gz JAGLCJAFSDQECL-BBRMVZONSA-N 0 3 342.399 3.909 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)c1cc(OC)ccc1OC ZINC000791565916 1134575025 /nfs/dbraw/zinc/57/50/25/1134575025.db2.gz KSNBMRCBNSDIBW-FQEVSTJZSA-N 0 3 341.451 3.816 20 30 EHEDHN CC(C)N(CCN(C)C(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000792213539 1134672282 /nfs/dbraw/zinc/67/22/82/1134672282.db2.gz YELQFYLMIQULHG-UHFFFAOYSA-N 0 3 331.460 3.636 20 30 EHEDHN CC[C@](C)(NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000775389080 1134701579 /nfs/dbraw/zinc/70/15/79/1134701579.db2.gz DBMJOGZUUJZSTQ-NRFANRHFSA-N 0 3 335.451 3.848 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001190457242 1134703927 /nfs/dbraw/zinc/70/39/27/1134703927.db2.gz JMBKEZGKAJLKDU-HZPDHXFCSA-N 0 3 329.362 3.793 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001190457246 1134704089 /nfs/dbraw/zinc/70/40/89/1134704089.db2.gz JMBKEZGKAJLKDU-JKSUJKDBSA-N 0 3 329.362 3.793 20 30 EHEDHN Cc1ccc(N2CC[C@H](N[C@H]3CCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000775409245 1134748357 /nfs/dbraw/zinc/74/83/57/1134748357.db2.gz FEBIEGLPFQLWGI-SFTDATJTSA-N 0 3 345.446 3.639 20 30 EHEDHN CC(C)(C)c1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001191132638 1134807603 /nfs/dbraw/zinc/80/76/03/1134807603.db2.gz LIYWSJVAZURJIM-HNNXBMFYSA-N 0 3 330.453 3.790 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001192489808 1135028374 /nfs/dbraw/zinc/02/83/74/1135028374.db2.gz ISHLHTPOFZEWMA-OAQYLSRUSA-N 0 3 349.478 3.976 20 30 EHEDHN C=CC[C@H]1N(Cc2ccc(OCC(F)(F)F)nn2)CCCC1(C)C ZINC001193920735 1135204642 /nfs/dbraw/zinc/20/46/42/1135204642.db2.gz PSQDGWBTSDDDOI-CQSZACIVSA-N 0 3 343.393 3.984 20 30 EHEDHN C#CCN(Cc1ccccc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000804835915 1135207677 /nfs/dbraw/zinc/20/76/77/1135207677.db2.gz JWTHCHHAWZHKSI-UHFFFAOYSA-N 0 3 332.447 3.558 20 30 EHEDHN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC001194682843 1135305234 /nfs/dbraw/zinc/30/52/34/1135305234.db2.gz HDUIMCZGNUKRBS-GQIGUUNPSA-N 0 3 333.435 3.763 20 30 EHEDHN CN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001195022326 1135354318 /nfs/dbraw/zinc/35/43/18/1135354318.db2.gz LWUVBOSALJSOKF-UXHICEINSA-N 0 3 333.435 3.765 20 30 EHEDHN C#CCN(CC#C)[C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170497231 1135375168 /nfs/dbraw/zinc/37/51/68/1135375168.db2.gz PTJWQUXHPQQZET-BCDXTJNWSA-N 0 3 332.488 3.512 20 30 EHEDHN N#Cc1ccc(NC(=O)CN2CCCC[C@H]2C2CCC2)cc1Cl ZINC001195825749 1135478130 /nfs/dbraw/zinc/47/81/30/1135478130.db2.gz PWRHTSXMHINXKZ-KRWDZBQOSA-N 0 3 331.847 3.805 20 30 EHEDHN C=CC[C@@H]1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC001196441785 1135557777 /nfs/dbraw/zinc/55/77/77/1135557777.db2.gz MVQSASLGEQAMDK-OAHLLOKOSA-N 0 3 325.431 3.898 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c(C)c1OC ZINC000808387568 1135660908 /nfs/dbraw/zinc/66/09/08/1135660908.db2.gz RJPUPXGAYBMQJQ-HNNXBMFYSA-N 0 3 340.423 3.765 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC001198076862 1135769399 /nfs/dbraw/zinc/76/93/99/1135769399.db2.gz XMTKZOUJCJWUGG-AWEZNQCLSA-N 0 3 343.418 3.642 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2SCC)CC1 ZINC000104482794 1135825114 /nfs/dbraw/zinc/82/51/14/1135825114.db2.gz RLRJRKUKCIIJIG-UHFFFAOYSA-N 0 3 336.888 3.736 20 30 EHEDHN C#CCOc1ccccc1CN1CCC([C@H](O)c2ccccc2C)CC1 ZINC000809703070 1135875035 /nfs/dbraw/zinc/87/50/35/1135875035.db2.gz MJHUDAIYYLNXIW-QHCPKHFHSA-N 0 3 349.474 3.953 20 30 EHEDHN C#CCOc1ccccc1CN1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000809703069 1135875420 /nfs/dbraw/zinc/87/54/20/1135875420.db2.gz MJHUDAIYYLNXIW-HSZRJFAPSA-N 0 3 349.474 3.953 20 30 EHEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1(CCF)CC1 ZINC000810533680 1135970737 /nfs/dbraw/zinc/97/07/37/1135970737.db2.gz SKDQQRNDXYTJEF-LBPRGKRZSA-N 0 3 343.185 3.781 20 30 EHEDHN CCN(CC)C(=O)[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000776154284 1136006117 /nfs/dbraw/zinc/00/61/17/1136006117.db2.gz SBOZRUVMOQIXKF-UWJYYQICSA-N 0 3 349.478 3.689 20 30 EHEDHN N#Cc1cccc(O)c1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201477642 1136032910 /nfs/dbraw/zinc/03/29/10/1136032910.db2.gz JXVSSQUKSWZWIL-MOPGFXCFSA-N 0 3 331.419 3.997 20 30 EHEDHN CCCCCCCN1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001201762754 1136061123 /nfs/dbraw/zinc/06/11/23/1136061123.db2.gz SUVQRWCINVEGKS-SFHVURJKSA-N 0 3 342.487 3.759 20 30 EHEDHN CCCCCCCCCCS(=O)(=O)NCC12CCN(CC1)CC2 ZINC001201837920 1136069265 /nfs/dbraw/zinc/06/92/65/1136069265.db2.gz BPQXYBAHHIIVKL-UHFFFAOYSA-N 0 3 344.565 3.532 20 30 EHEDHN C#CCCOc1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000811519448 1136097986 /nfs/dbraw/zinc/09/79/86/1136097986.db2.gz XOLDEIDHAWLDPK-UXHICEINSA-N 0 3 325.452 3.622 20 30 EHEDHN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC2SC(=O)C=C2C1 ZINC001202257539 1136115110 /nfs/dbraw/zinc/11/51/10/1136115110.db2.gz PSWXWYIJJUQEFH-LBPRGKRZSA-N 0 3 343.235 3.799 20 30 EHEDHN CCCCn1nc(C)c(CNCCc2ccc(C#N)cc2)c1Cl ZINC000850345487 1136238390 /nfs/dbraw/zinc/23/83/90/1136238390.db2.gz BSIDPHHXKCLXIZ-UHFFFAOYSA-N 0 3 330.863 3.849 20 30 EHEDHN C#C[C@H](N[C@H](C)c1ccc2cc(OC)c(OC)cc2c1)[C@H]1CCCO1 ZINC000850461303 1136263656 /nfs/dbraw/zinc/26/36/56/1136263656.db2.gz HYHFBJMOYKPBGY-MDASCCDHSA-N 0 3 339.435 3.688 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](OC)C2CCC2)cc1 ZINC000850762593 1136301678 /nfs/dbraw/zinc/30/16/78/1136301678.db2.gz ZOCZLQVRHKIOMS-IRWQIABSSA-N 0 3 342.439 3.663 20 30 EHEDHN C[C@@H](C1CC1)N(CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000173200635 1136371982 /nfs/dbraw/zinc/37/19/82/1136371982.db2.gz JBDJYGGYSAUWIK-ZDUSSCGKSA-N 0 3 329.469 3.504 20 30 EHEDHN N#Cc1ccc(CCN2CCC(O)(c3ccccc3Cl)CC2)cc1 ZINC000851987034 1136425326 /nfs/dbraw/zinc/42/53/26/1136425326.db2.gz SBUTXFWPBKVPIU-UHFFFAOYSA-N 0 3 340.854 3.738 20 30 EHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(N2CCCOC2=O)cc1 ZINC000814302183 1136437882 /nfs/dbraw/zinc/43/78/82/1136437882.db2.gz AONVFBDXMWHNEZ-ZDUSSCGKSA-N 0 3 341.436 3.817 20 30 EHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)c(C)c1 ZINC000815026671 1136541773 /nfs/dbraw/zinc/54/17/73/1136541773.db2.gz JOKLQAUWSTZTEI-UHFFFAOYSA-N 0 3 337.467 3.581 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000855172608 1136674069 /nfs/dbraw/zinc/67/40/69/1136674069.db2.gz NFDSFYXFEOVIQL-NRSFXHEJSA-N 0 3 327.424 3.542 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000113960734 1136762421 /nfs/dbraw/zinc/76/24/21/1136762421.db2.gz JWRVAXDIOIAULF-QFBILLFUSA-N 0 3 349.434 3.948 20 30 EHEDHN N#CCCC[C@H](NCCS(=O)(=O)C1CCCCC1)c1ccccc1 ZINC000856744422 1136806452 /nfs/dbraw/zinc/80/64/52/1136806452.db2.gz QHGXFPUTOYONNQ-IBGZPJMESA-N 0 3 348.512 3.759 20 30 EHEDHN C#CCN(C)CCCNC(=O)c1sc2cccc(C)c2c1Cl ZINC000818606598 1136888339 /nfs/dbraw/zinc/88/83/39/1136888339.db2.gz YQVULAWMQFOXCI-UHFFFAOYSA-N 0 3 334.872 3.548 20 30 EHEDHN Cc1ccccc1[C@H](O)CNCC#Cc1cccc(C(F)(F)F)c1 ZINC000818946974 1136894505 /nfs/dbraw/zinc/89/45/05/1136894505.db2.gz YYCWFCZJWFQRNY-GOSISDBHSA-N 0 3 333.353 3.689 20 30 EHEDHN C#CC[C@@H](COC)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000858335023 1136959123 /nfs/dbraw/zinc/95/91/23/1136959123.db2.gz LDBWGJJWHDDSRQ-ZDUSSCGKSA-N 0 3 339.279 3.852 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858605855 1136982240 /nfs/dbraw/zinc/98/22/40/1136982240.db2.gz ZVOQQYRMDKXNBO-VFNWGFHPSA-N 0 3 336.435 3.904 20 30 EHEDHN CC(C)N(CCN1CCCCCC1)c1snc(Cl)c1C#N ZINC000820586787 1136998110 /nfs/dbraw/zinc/99/81/10/1136998110.db2.gz QJENMKAEBKCQHU-UHFFFAOYSA-N 0 3 326.897 3.759 20 30 EHEDHN Cc1ccc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1C#N ZINC000859133373 1137004343 /nfs/dbraw/zinc/00/43/43/1137004343.db2.gz FRGQRIHMIHXTJN-NRFANRHFSA-N 0 3 338.426 3.951 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(OCC(F)F)cc2)cc1 ZINC000824926443 1137157854 /nfs/dbraw/zinc/15/78/54/1137157854.db2.gz NOXYUNPFUPTCHG-UHFFFAOYSA-N 0 3 331.362 3.632 20 30 EHEDHN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CCOCCC#N ZINC000339044904 1137160686 /nfs/dbraw/zinc/16/06/86/1137160686.db2.gz YWNUBHZEUHJZSA-AVRDEDQJSA-N 0 3 334.463 3.995 20 30 EHEDHN N#Cc1ccccc1OC1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC001137028620 1137175542 /nfs/dbraw/zinc/17/55/42/1137175542.db2.gz WKTXWFGSHNDKOP-UHFFFAOYSA-N 0 3 334.419 3.632 20 30 EHEDHN N#Cc1ccc(CN2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)nc1 ZINC001144160307 1137246587 /nfs/dbraw/zinc/24/65/87/1137246587.db2.gz DCWNKDHILFANOU-FDFHNCONSA-N 0 3 345.446 3.650 20 30 EHEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000865731138 1137307183 /nfs/dbraw/zinc/30/71/83/1137307183.db2.gz DABCKISHXXTWGJ-CQSZACIVSA-N 0 3 336.391 3.786 20 30 EHEDHN Cc1csc([C@@H](C)NC2CCN(c3ccccc3C#N)CC2)n1 ZINC000866448907 1137355536 /nfs/dbraw/zinc/35/55/36/1137355536.db2.gz NMLHZIVEOAAPPL-CQSZACIVSA-N 0 3 326.469 3.643 20 30 EHEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1ncc(-c2ccccc2)n1C ZINC000866616192 1137369562 /nfs/dbraw/zinc/36/95/62/1137369562.db2.gz LAHIKNRBSNHFOD-YWZLYKJASA-N 0 3 342.446 3.777 20 30 EHEDHN CCc1ccc([C@@H](C)CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000121841253 1137387099 /nfs/dbraw/zinc/38/70/99/1137387099.db2.gz FERBPOOMTCWZHS-KBXCAEBGSA-N 0 3 326.440 3.510 20 30 EHEDHN CC[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccc(C)cc1 ZINC000121865419 1137387449 /nfs/dbraw/zinc/38/74/49/1137387449.db2.gz HJLGYXWKHJZXDU-WBVHZDCISA-N 0 3 335.407 3.621 20 30 EHEDHN CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000868815992 1137424764 /nfs/dbraw/zinc/42/47/64/1137424764.db2.gz WKFGLZYBMMVELG-QGZVFWFLSA-N 0 3 349.475 3.667 20 30 EHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C2CCCCC2)C1 ZINC001171799757 1137513261 /nfs/dbraw/zinc/51/32/61/1137513261.db2.gz RNXXTOULWMSQQN-MAUKXSAKSA-N 0 3 325.456 3.787 20 30 EHEDHN N#Cc1ccccc1OC1CCN([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171807103 1137514009 /nfs/dbraw/zinc/51/40/09/1137514009.db2.gz PMORLWGNEASICC-QGZVFWFLSA-N 0 3 336.410 3.708 20 30 EHEDHN N#Cc1ccc(N2CC[C@H](N3CCCC4(CCCC4)CC3)C2=O)cc1 ZINC001171915146 1137518081 /nfs/dbraw/zinc/51/80/81/1137518081.db2.gz BRPIOGLBXBCROV-IBGZPJMESA-N 0 3 337.467 3.710 20 30 EHEDHN CC[C@@H](CC#N)NC1CCN(c2ccc(Br)cc2)CC1 ZINC001171992318 1137522964 /nfs/dbraw/zinc/52/29/64/1137522964.db2.gz KICAYSDZZMJWLM-AWEZNQCLSA-N 0 3 336.277 3.700 20 30 EHEDHN Cc1cc(F)ccc1N1CCN([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172311194 1137546481 /nfs/dbraw/zinc/54/64/81/1137546481.db2.gz QSFBKRIYVSSIKA-QGZVFWFLSA-N 0 3 337.442 3.759 20 30 EHEDHN C#CCOc1ccccc1CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000124608339 1137605963 /nfs/dbraw/zinc/60/59/63/1137605963.db2.gz NXVUMVUQOCCFJO-QFIPXVFZSA-N 0 3 335.447 3.644 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000876576130 1137655960 /nfs/dbraw/zinc/65/59/60/1137655960.db2.gz BFSCRJIPGNJTBL-RBUKOAKNSA-N 0 3 340.854 3.631 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000876597315 1137656714 /nfs/dbraw/zinc/65/67/14/1137656714.db2.gz RNEFVSJGIOHPRP-ABAIWWIYSA-N 0 3 349.887 3.766 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000876618493 1137657172 /nfs/dbraw/zinc/65/71/72/1137657172.db2.gz WWLWSQXFNMUIKR-MSOLQXFVSA-N 0 3 328.843 3.973 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000876653188 1137658260 /nfs/dbraw/zinc/65/82/60/1137658260.db2.gz PNMOKXCLZHQIPR-MRXNPFEDSA-N 0 3 338.879 3.543 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000876708745 1137659534 /nfs/dbraw/zinc/65/95/34/1137659534.db2.gz ZINCHQYTXVAAQL-ZDUSSCGKSA-N 0 3 342.270 3.739 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(OC)c(Cl)cc1C1CC1 ZINC000876954038 1137666163 /nfs/dbraw/zinc/66/61/63/1137666163.db2.gz BJWLFUQCBDHKBS-GFCCVEGCSA-N 0 3 329.227 3.634 20 30 EHEDHN CCCOc1cccc(CCNCc2cc(C#N)cnc2Cl)c1 ZINC000877117084 1137670590 /nfs/dbraw/zinc/67/05/90/1137670590.db2.gz HOVWMYLRTHFNIL-UHFFFAOYSA-N 0 3 329.831 3.728 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCC2(c3ccc(F)cc3F)CC2)c1 ZINC000877119714 1137670744 /nfs/dbraw/zinc/67/07/44/1137670744.db2.gz ANWSREWOZCGNQJ-UHFFFAOYSA-N 0 3 333.769 3.706 20 30 EHEDHN Cc1ccc2c(CCNCc3cc(C#N)cnc3Cl)cn(C)c2c1 ZINC000877460388 1137677041 /nfs/dbraw/zinc/67/70/41/1137677041.db2.gz QUPRZZKTXJZPFX-UHFFFAOYSA-N 0 3 338.842 3.739 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001137121514 1137678893 /nfs/dbraw/zinc/67/88/93/1137678893.db2.gz OUXLFXPHUHVHHE-NRFANRHFSA-N 0 3 347.418 3.504 20 30 EHEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000877573421 1137681802 /nfs/dbraw/zinc/68/18/02/1137681802.db2.gz QLKIAAPOYGQFMZ-ZIAGYGMSSA-N 0 3 333.844 3.678 20 30 EHEDHN CCCO[C@@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878088044 1137701867 /nfs/dbraw/zinc/70/18/67/1137701867.db2.gz FTEVADJAHPYFFW-NHCUHLMSSA-N 0 3 342.483 3.708 20 30 EHEDHN CCCN(CC[C@](C#N)(C(C)=O)c1ccccc1)C[C@H]1CCCCO1 ZINC000878238830 1137708183 /nfs/dbraw/zinc/70/81/83/1137708183.db2.gz FKILOFVZDKBESV-RTWAWAEBSA-N 0 3 342.483 3.708 20 30 EHEDHN C=C(C)[C@@H](NC[C@H]1CC2(CO1)CCOCC2)c1ccc(F)c(F)c1 ZINC000878452192 1137716664 /nfs/dbraw/zinc/71/66/64/1137716664.db2.gz WWBBGRGRLXHGIK-CRAIPNDOSA-N 0 3 337.410 3.757 20 30 EHEDHN N#Cc1ccccc1NC1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000878962080 1137733709 /nfs/dbraw/zinc/73/37/09/1137733709.db2.gz GGSMQTUJGUOFAF-UHFFFAOYSA-N 0 3 333.435 3.665 20 30 EHEDHN Cc1cccc(C(=O)NC2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000879350266 1137745181 /nfs/dbraw/zinc/74/51/81/1137745181.db2.gz AFXFVZCCSLFZJX-QGZVFWFLSA-N 0 3 347.462 3.822 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000129381435 1137818570 /nfs/dbraw/zinc/81/85/70/1137818570.db2.gz NOJCTPHHAUNEHJ-QLFBSQMISA-N 0 3 332.469 3.565 20 30 EHEDHN CCCCCC[C@H](CC)CN(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884417296 1137959562 /nfs/dbraw/zinc/95/95/62/1137959562.db2.gz CUZWNLFCASBLDZ-SARBKMAYSA-N 0 3 333.520 3.581 20 30 EHEDHN N#CC1(C[C@H](O)CN2CCC(=Cc3ccccc3F)CC2)CCC1 ZINC000886038136 1138034081 /nfs/dbraw/zinc/03/40/81/1138034081.db2.gz RGGPTWIPLRWGKS-SFHVURJKSA-N 0 3 328.431 3.750 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000066704194 1138077491 /nfs/dbraw/zinc/07/74/91/1138077491.db2.gz RDHRBKXMSFTZHR-KRWDZBQOSA-N 0 3 341.499 3.647 20 30 EHEDHN C=CCN1CCC(NC(=O)NC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000264393609 1138499476 /nfs/dbraw/zinc/49/94/76/1138499476.db2.gz XKDPUPXXVRCJHS-UHFFFAOYSA-N 0 3 335.879 3.525 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000264395870 1138500001 /nfs/dbraw/zinc/50/00/01/1138500001.db2.gz OVZUGNSWSVRXST-CQSZACIVSA-N 0 3 335.879 3.741 20 30 EHEDHN CN(C)[C@@H](CNc1nc(C(F)(F)F)ccc1C#N)c1cccs1 ZINC000265186977 1138759112 /nfs/dbraw/zinc/75/91/12/1138759112.db2.gz KBPQCNCAHQTPHU-NSHDSACASA-N 0 3 340.374 3.748 20 30 EHEDHN CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCCN(C)C1 ZINC000153618669 1139144550 /nfs/dbraw/zinc/14/45/50/1139144550.db2.gz PRNYVVTUEPMJJO-SFHVURJKSA-N 0 3 349.434 3.517 20 30 EHEDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000177995591 1139661485 /nfs/dbraw/zinc/66/14/85/1139661485.db2.gz LJTYZMCOFWWAIP-QGZVFWFLSA-N 0 3 334.341 3.742 20 30 EHEDHN Cc1cc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)c(C)s1 ZINC000179373593 1139753287 /nfs/dbraw/zinc/75/32/87/1139753287.db2.gz SFXALKARTNIPDG-KGLIPLIRSA-N 0 3 333.501 3.747 20 30 EHEDHN C[C@H](NCc1cccc(CN2CCO[C@H](C)C2)c1)c1cccc(C#N)c1 ZINC000181573035 1139916498 /nfs/dbraw/zinc/91/64/98/1139916498.db2.gz ZQTRUBKJXLPLMV-MSOLQXFVSA-N 0 3 349.478 3.630 20 30 EHEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000181866936 1139937335 /nfs/dbraw/zinc/93/73/35/1139937335.db2.gz KSQYYETZAQBLHZ-HNNXBMFYSA-N 0 3 348.516 3.742 20 30 EHEDHN COc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C2CC2)cc1 ZINC000193347866 1140572701 /nfs/dbraw/zinc/57/27/01/1140572701.db2.gz LTOSFGXKOVFRAJ-VBKZILBWSA-N 0 3 349.434 3.635 20 30 EHEDHN CCc1nc(C)c([C@H](C)N(C)C[C@H](O)c2ccc(C#N)cc2)s1 ZINC000268741779 1140980928 /nfs/dbraw/zinc/98/09/28/1140980928.db2.gz ZQVYLFXIDDZPJF-BBRMVZONSA-N 0 3 329.469 3.612 20 30 EHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000270156638 1141185863 /nfs/dbraw/zinc/18/58/63/1141185863.db2.gz SVCGSUGQDBFUQS-NPMXOYFQSA-N 0 3 329.465 3.840 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)c1ccc(CC#N)cc1)c1ccsc1 ZINC000270252435 1141197023 /nfs/dbraw/zinc/19/70/23/1141197023.db2.gz MRCGHRGXLBVAOJ-GOSISDBHSA-N 0 3 341.480 3.627 20 30 EHEDHN CN1CC[C@H](NCc2ccc(C#N)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000270630361 1141247757 /nfs/dbraw/zinc/24/77/57/1141247757.db2.gz HMUMQTWDDZNMFS-RBUKOAKNSA-N 0 3 345.368 3.511 20 30 EHEDHN C=CC[C@H]1[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2F)CCCC1(C)C ZINC001573329530 947421879 /nfs/dbraw/zinc/42/18/79/947421879.db2.gz KNZMTNLERMFTOE-MRXNPFEDSA-N 0 3 329.423 3.573 20 30 EHEDHN C=CC[C@H]1[N@H+](Cc2ccc(-c3nnn[n-]3)cc2F)CCCC1(C)C ZINC001573329530 947421888 /nfs/dbraw/zinc/42/18/88/947421888.db2.gz KNZMTNLERMFTOE-MRXNPFEDSA-N 0 3 329.423 3.573 20 30 EHEDHN C=CC[C@H]1[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2F)CCCC1(C)C ZINC001573329530 947421894 /nfs/dbraw/zinc/42/18/94/947421894.db2.gz KNZMTNLERMFTOE-MRXNPFEDSA-N 0 3 329.423 3.573 20 30 EHEDHN C=CC[C@H]1[N@H+](Cc2ccc(-c3nn[n-]n3)cc2F)CCCC1(C)C ZINC001573329530 947421903 /nfs/dbraw/zinc/42/19/03/947421903.db2.gz KNZMTNLERMFTOE-MRXNPFEDSA-N 0 3 329.423 3.573 20 30 EHEDHN COc1cc(C#N)ccc1OC1CCN(C[C@@H](C)C(F)(F)F)CC1 ZINC001208890237 1015487539 /nfs/dbraw/zinc/48/75/39/1015487539.db2.gz CQXBSGQDEBRBHI-GFCCVEGCSA-N 0 3 342.361 3.608 20 30 EHEDHN Cc1cccc2c1ncc(C#N)c2NC[C@H](c1cccc(F)c1)N(C)C ZINC000610246774 1016140460 /nfs/dbraw/zinc/14/04/60/1016140460.db2.gz ZCENOSFOYLCXDI-LJQANCHMSA-N 0 3 348.425 3.691 20 30 EHEDHN CCOc1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000748098609 1016275539 /nfs/dbraw/zinc/27/55/39/1016275539.db2.gz JPWLGOFEENETQB-UHFFFAOYSA-N 0 3 349.352 3.951 20 30 EHEDHN CN(CCCN(C)c1c(C#N)cnc2ccccc21)Cc1ccco1 ZINC000343835188 1016471238 /nfs/dbraw/zinc/47/12/38/1016471238.db2.gz FMKGIKBYCYDKPK-UHFFFAOYSA-N 0 3 334.423 3.658 20 30 EHEDHN C=CCCCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000449116751 1032211304 /nfs/dbraw/zinc/21/13/04/1032211304.db2.gz RBUCYGZLBRUNCA-MRXNPFEDSA-N 0 3 330.472 3.721 20 30 EHEDHN N#Cc1ccc2nc(N3CCN(CCc4cccs4)CC3)ccc2c1 ZINC000536766608 1032258270 /nfs/dbraw/zinc/25/82/70/1032258270.db2.gz JCZORICSCPIAMY-UHFFFAOYSA-N 0 3 348.475 3.533 20 30 EHEDHN Cc1cccc(C(C)(C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000537086982 1032515635 /nfs/dbraw/zinc/51/56/35/1032515635.db2.gz WEQBXBLYOYPEPV-UHFFFAOYSA-N 0 3 341.842 3.984 20 30 EHEDHN CC(C)(C)c1ccc(C(C)(C)NCC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000537105419 1032523566 /nfs/dbraw/zinc/52/35/66/1032523566.db2.gz DMCHDVDIJHKEPT-OAQYLSRUSA-N 0 3 341.499 3.617 20 30 EHEDHN C[C@H]1[C@@H](NC(=O)CC2(C#N)CCCCC2)CCN1Cc1ccccc1 ZINC000597654132 1032591569 /nfs/dbraw/zinc/59/15/69/1032591569.db2.gz QMQBIRKLGBXRKM-HKUYNNGSSA-N 0 3 339.483 3.630 20 30 EHEDHN N#Cc1ccc(OC2CCN(CCc3noc4ccccc34)CC2)cc1 ZINC000593960821 1032615897 /nfs/dbraw/zinc/61/58/97/1032615897.db2.gz CMINKYQPYPPHKM-UHFFFAOYSA-N 0 3 347.418 3.785 20 30 EHEDHN CN(C)/C=N/c1ccc(NC2CC(C)(C)N(O)C(C)(C)C2)cc1C#N ZINC001167718398 1018030662 /nfs/dbraw/zinc/03/06/62/1018030662.db2.gz RHNAGLXVENOSRY-FYJGNVAPSA-N 0 3 343.475 3.602 20 30 EHEDHN C=CC[C@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC001167719121 1018059570 /nfs/dbraw/zinc/05/95/70/1018059570.db2.gz AKSIDWKOFXESLR-RXVVDRJESA-N 0 3 340.511 3.754 20 30 EHEDHN C[C@@H]1CC(F)(F)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000528765613 1032764940 /nfs/dbraw/zinc/76/49/40/1032764940.db2.gz DTQSSXJGSRXQTM-VXGBXAGGSA-N 0 3 349.406 3.592 20 30 EHEDHN C[C@H]1CC[C@H](c2ccccc2)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580196649 1018772229 /nfs/dbraw/zinc/77/22/29/1018772229.db2.gz XLNAYCCDFDKBPH-HNAYVOBHSA-N 0 3 331.423 3.574 20 30 EHEDHN CCCc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000050027513 1018777815 /nfs/dbraw/zinc/77/78/15/1018777815.db2.gz BATAUDJSZZVJKY-OAHLLOKOSA-N 0 3 344.484 3.991 20 30 EHEDHN COc1cc([C@@H](C)NCc2ccc(C#N)cc2C)cc(OC)c1OC ZINC000614407498 1018999866 /nfs/dbraw/zinc/99/98/66/1018999866.db2.gz SIKQDNUHTDBWDS-CQSZACIVSA-N 0 3 340.423 3.743 20 30 EHEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000155759419 1019481241 /nfs/dbraw/zinc/48/12/41/1019481241.db2.gz IDWPPKYBHRZUEJ-CQSZACIVSA-N 0 3 327.409 3.715 20 30 EHEDHN CCCCCCCCN1CC2(C[C@H]2C(=O)N2CC(F)(C3CC3)C2)C1 ZINC001279870901 1019741638 /nfs/dbraw/zinc/74/16/38/1019741638.db2.gz NOXZGDNXWFSFTI-KRWDZBQOSA-N 0 3 336.495 3.629 20 30 EHEDHN CC[C@H](NCc1ccc(C#N)cc1Br)[C@H]1CCCCO1 ZINC000594043801 1032871439 /nfs/dbraw/zinc/87/14/39/1032871439.db2.gz OWPQSQQLYQAVTL-JKSUJKDBSA-N 0 3 337.261 3.758 20 30 EHEDHN CCN(C(=O)c1sc2ccc(C#N)cc2c1C)[C@H]1CCN(CC)C1 ZINC000598040328 1032873443 /nfs/dbraw/zinc/87/34/43/1032873443.db2.gz PCWGKEBGABTTKG-HNNXBMFYSA-N 0 3 341.480 3.638 20 30 EHEDHN C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCC(F)(F)CC1 ZINC000594045363 1032874868 /nfs/dbraw/zinc/87/48/68/1032874868.db2.gz URSMTXHJMBGSOM-GFCCVEGCSA-N 0 3 346.381 3.912 20 30 EHEDHN CC1(C)CC(N=Nc2ccc(Cl)nn2)CN1Cc1ccccc1 ZINC000761251785 1032878848 /nfs/dbraw/zinc/87/88/48/1032878848.db2.gz FYUIGJMGNSRCKB-UHFFFAOYSA-N 0 3 329.835 3.582 20 30 EHEDHN CC[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)N(CC)CC ZINC000345800790 1020514624 /nfs/dbraw/zinc/51/46/24/1020514624.db2.gz OYZDHYYTSAGWLJ-FQEVSTJZSA-N 0 3 335.451 3.540 20 30 EHEDHN Cc1ccccc1[C@@H](NCC(=O)Nc1sccc1C#N)C(C)C ZINC000183222253 1020716067 /nfs/dbraw/zinc/71/60/67/1020716067.db2.gz QAJQNLINPPPYRR-KRWDZBQOSA-N 0 3 327.453 3.854 20 30 EHEDHN N#Cc1cccc(CN2CCC(Nc3ccnc4ccsc43)CC2)c1 ZINC000593514885 1032954500 /nfs/dbraw/zinc/95/45/00/1032954500.db2.gz GKKBCVWVWWBRPP-UHFFFAOYSA-N 0 3 348.475 3.666 20 30 EHEDHN CC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1cccc(Cl)c1 ZINC000341302419 1021395480 /nfs/dbraw/zinc/39/54/80/1021395480.db2.gz REMAWVASMUOTLQ-RPVQJOFSSA-N 0 3 335.879 3.824 20 30 EHEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccsc1 ZINC000126620429 1021448390 /nfs/dbraw/zinc/44/83/90/1021448390.db2.gz UAKBWJJJSNKXCM-UHFFFAOYSA-N 0 3 333.844 3.734 20 30 EHEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(OCC2CC2)c1 ZINC000602573859 1032982993 /nfs/dbraw/zinc/98/29/93/1032982993.db2.gz NOQPBNSKGUHTDA-KRWDZBQOSA-N 0 3 342.483 3.972 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1OCC1CC1 ZINC000602550970 1032985442 /nfs/dbraw/zinc/98/54/42/1032985442.db2.gz AQLDKKAFCXPZCZ-INIZCTEOSA-N 0 3 328.456 3.664 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CCCCO1 ZINC000437157705 1021614449 /nfs/dbraw/zinc/61/44/49/1021614449.db2.gz ZWRZECMGNIGCAV-MRXNPFEDSA-N 0 3 338.398 3.941 20 30 EHEDHN CN(Cc1ccc(OC[C@@H]2CCCO2)cc1)Cc1cccc(C#N)c1 ZINC000127290537 1021724464 /nfs/dbraw/zinc/72/44/64/1021724464.db2.gz VPJPTHCPOHAEOB-NRFANRHFSA-N 0 3 336.435 3.748 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CCC2CC2)c1 ZINC000441224717 1022079952 /nfs/dbraw/zinc/07/99/52/1022079952.db2.gz LREJQWWRJCUIKK-KRWDZBQOSA-N 0 3 327.472 3.671 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000517318038 1022240659 /nfs/dbraw/zinc/24/06/59/1022240659.db2.gz DBBJMPWLNBGEAA-MJGOQNOKSA-N 0 3 335.536 3.931 20 30 EHEDHN C=CCC1(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CCC1 ZINC000341571212 1022355006 /nfs/dbraw/zinc/35/50/06/1022355006.db2.gz IYYSXKWALQPIPF-KRWDZBQOSA-N 0 3 332.513 3.874 20 30 EHEDHN Cn1ncc(C(=O)NCCN2CCC3(CCCCC3)CC2)c1C1CC1 ZINC000328728260 1022488405 /nfs/dbraw/zinc/48/84/05/1022488405.db2.gz VMGUBIDOPJACNL-UHFFFAOYSA-N 0 3 344.503 3.648 20 30 EHEDHN O=C1C=COC2(CCN(C[C@@H]3CCC4(CCCCCC4)O3)CC2)C1 ZINC000933644659 1022538846 /nfs/dbraw/zinc/53/88/46/1022538846.db2.gz SGMCMVPZSPZLGJ-SFHVURJKSA-N 0 3 333.472 3.596 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000111496008 1022575207 /nfs/dbraw/zinc/57/52/07/1022575207.db2.gz AXYZYVMETMXKTM-UXHICEINSA-N 0 3 341.499 3.662 20 30 EHEDHN CC1(C)C[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C(C)(C)O1 ZINC000528919506 1033080332 /nfs/dbraw/zinc/08/03/32/1033080332.db2.gz KUAKLPSRAXBDQF-KGLIPLIRSA-N 0 3 348.830 3.581 20 30 EHEDHN CC1(C)CCCN(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331303346 1022791589 /nfs/dbraw/zinc/79/15/89/1022791589.db2.gz STXQIQAQFPZILM-UHFFFAOYSA-N 0 3 339.823 3.675 20 30 EHEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)CCCCC#N)CC1 ZINC000594043625 1033146987 /nfs/dbraw/zinc/14/69/87/1033146987.db2.gz JHCNALNXFKWIFG-UHFFFAOYSA-N 0 3 349.862 3.835 20 30 EHEDHN N#Cc1cccc(NC(=O)CCN2CCC(CC(F)(F)F)CC2)c1 ZINC000341989481 1023742347 /nfs/dbraw/zinc/74/23/47/1023742347.db2.gz KNPWKSKFFYFRDY-UHFFFAOYSA-N 0 3 339.361 3.551 20 30 EHEDHN COCc1cc(CNCc2cccc(OCCCC#N)c2)ccc1F ZINC000237202250 1024199229 /nfs/dbraw/zinc/19/92/29/1024199229.db2.gz PRXNWMHIJCRDDA-UHFFFAOYSA-N 0 3 342.414 3.944 20 30 EHEDHN Cc1c2ccccc2oc1[C@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330050263 1024303662 /nfs/dbraw/zinc/30/36/62/1024303662.db2.gz LMOPNYADJSEQEK-GJZGRUSLSA-N 0 3 341.455 3.956 20 30 EHEDHN C[C@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000538507946 1024404003 /nfs/dbraw/zinc/40/40/03/1024404003.db2.gz NWNAMQAJOJZSRP-KBXCAEBGSA-N 0 3 343.446 3.529 20 30 EHEDHN CCN(CC)[C@@H](CNc1c(C#N)cccc1[N+](=O)[O-])c1ccco1 ZINC000425215112 1024447868 /nfs/dbraw/zinc/44/78/68/1024447868.db2.gz MABPEBKVLVQYFA-HNNXBMFYSA-N 0 3 328.372 3.554 20 30 EHEDHN C=CCOc1cccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)c1 ZINC000511030177 1024637735 /nfs/dbraw/zinc/63/77/35/1024637735.db2.gz NZPSOVPRQFGVIO-UHFFFAOYSA-N 0 3 345.487 3.837 20 30 EHEDHN CC(C)Cc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cn1 ZINC000895627697 1024674060 /nfs/dbraw/zinc/67/40/60/1024674060.db2.gz FNFGXMDQSLXBDJ-UHFFFAOYSA-N 0 3 349.478 3.947 20 30 EHEDHN C#CCC1(O)CCN(Cc2cc3cc(Br)ccc3o2)CC1 ZINC000895671181 1024717842 /nfs/dbraw/zinc/71/78/42/1024717842.db2.gz SSJRSHITMRPYFN-UHFFFAOYSA-N 0 3 348.240 3.546 20 30 EHEDHN C[C@@H]1CCCC[C@H]1OCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507850201 1024729943 /nfs/dbraw/zinc/72/99/43/1024729943.db2.gz WGJVSUADUACTJQ-DYESRHJHSA-N 0 3 342.483 3.997 20 30 EHEDHN C=C[C@@H](CC(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC000124782935 1024762146 /nfs/dbraw/zinc/76/21/46/1024762146.db2.gz NPZNBFZRPANHEZ-FPOVZHCZSA-N 0 3 336.479 3.635 20 30 EHEDHN N#Cc1ccc(CN(CCOc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000346479378 1024766149 /nfs/dbraw/zinc/76/61/49/1024766149.db2.gz VZOGFUWAILKKPN-UHFFFAOYSA-N 0 3 337.379 3.510 20 30 EHEDHN C=CCOC(=O)[C@@H](Nc1ccc([C@H]2CCCCN2C)cn1)[C@@H](C)CC ZINC001167959473 1024999462 /nfs/dbraw/zinc/99/94/62/1024999462.db2.gz GZOBZRJPYILMQL-WDYCEAGBSA-N 0 3 345.487 3.794 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000602903357 1033254659 /nfs/dbraw/zinc/25/46/59/1033254659.db2.gz RDWPDFHGJSKKPE-FQEVSTJZSA-N 0 3 349.478 3.876 20 30 EHEDHN COc1ccc(C2(NCc3ccc(C#N)cc3)CCOCC2)cc1F ZINC000444009185 1025179253 /nfs/dbraw/zinc/17/92/53/1025179253.db2.gz LIARGZRHJOAINE-UHFFFAOYSA-N 0 3 340.398 3.501 20 30 EHEDHN CCOc1c(F)cccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000442597537 1025385558 /nfs/dbraw/zinc/38/55/58/1025385558.db2.gz JMPSCPPHXJXUKL-CYBMUJFWSA-N 0 3 337.354 3.601 20 30 EHEDHN CCOc1c(F)cccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000442597537 1025385572 /nfs/dbraw/zinc/38/55/72/1025385572.db2.gz JMPSCPPHXJXUKL-CYBMUJFWSA-N 0 3 337.354 3.601 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000896530640 1025517289 /nfs/dbraw/zinc/51/72/89/1025517289.db2.gz GIFCVFDGXJLFAV-DOTOQJQBSA-N 0 3 341.480 3.889 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000436293738 1025557267 /nfs/dbraw/zinc/55/72/67/1025557267.db2.gz DPKDZLXGADOKBK-DBVUQKKJSA-N 0 3 326.415 3.881 20 30 EHEDHN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)C2(C)C)C1=CCN(C)CC1 ZINC000329000775 1025567176 /nfs/dbraw/zinc/56/71/76/1025567176.db2.gz XIXPSWBFKXUWHP-GFCCVEGCSA-N 0 3 327.428 3.521 20 30 EHEDHN Cc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2cccc(C#N)c2)s1 ZINC000436377368 1025642417 /nfs/dbraw/zinc/64/24/17/1025642417.db2.gz HBBGSICQLHQNOF-CYBMUJFWSA-N 0 3 342.468 3.653 20 30 EHEDHN Cc1cc(C)cc(OC[C@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425533342 1025661735 /nfs/dbraw/zinc/66/17/35/1025661735.db2.gz DMMGPUUZQWVWPV-FXAWDEMLSA-N 0 3 338.451 3.608 20 30 EHEDHN O=C(CC1(N2CCOCC2)CCCC1)Nc1cnc2c(c1)CCCC2 ZINC000329446508 1025856548 /nfs/dbraw/zinc/85/65/48/1025856548.db2.gz LFFVXLFEYIRVEY-UHFFFAOYSA-N 0 3 343.471 3.584 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000523010539 1026366794 /nfs/dbraw/zinc/36/67/94/1026366794.db2.gz JMEAEHQRWWJLOV-RYRKJORJSA-N 0 3 330.447 3.593 20 30 EHEDHN C=CCCC1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000475390908 1026550779 /nfs/dbraw/zinc/55/07/79/1026550779.db2.gz LBMTYYPGCNPYOM-UHFFFAOYSA-N 0 3 344.524 3.963 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1csc(-c2ccccc2)n1 ZINC000127995986 1026795543 /nfs/dbraw/zinc/79/55/43/1026795543.db2.gz CYYHMSLFFJPJGX-HNNXBMFYSA-N 0 3 347.399 3.771 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000135585076 1027084219 /nfs/dbraw/zinc/08/42/19/1027084219.db2.gz CJUAEXMQYXCWDB-VQIMIIECSA-N 0 3 348.450 3.651 20 30 EHEDHN N#CCCCCN1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129538568 1027573365 /nfs/dbraw/zinc/57/33/65/1027573365.db2.gz RFXBHSALVZPSLN-FQEVSTJZSA-N 0 3 335.451 3.728 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000533349862 1027716050 /nfs/dbraw/zinc/71/60/50/1027716050.db2.gz JSUDZVFUSJKKPE-UHFFFAOYSA-N 0 3 333.435 3.609 20 30 EHEDHN CCOc1ccc(SCC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000016168717 1027747007 /nfs/dbraw/zinc/74/70/07/1027747007.db2.gz DRMZYSKLKXSPNA-AWEZNQCLSA-N 0 3 332.450 3.819 20 30 EHEDHN C=CC[C@@H]1N(CC(=O)NCc2ccccc2COC)CCCC1(C)C ZINC000444780316 1028243284 /nfs/dbraw/zinc/24/32/84/1028243284.db2.gz DRVLOPXUPMDESS-IBGZPJMESA-N 0 3 344.499 3.516 20 30 EHEDHN C=CC[C@@H]1N(CC(=O)Nc2cccc(NC(C)=O)c2)CCCC1(C)C ZINC000444783443 1028281425 /nfs/dbraw/zinc/28/14/25/1028281425.db2.gz KZIHBZBVESVDOY-SFHVURJKSA-N 0 3 343.471 3.650 20 30 EHEDHN N#Cc1ccc(C2=CCN(CCOCCOc3ccccc3)CC2)cc1 ZINC000502511670 1028301640 /nfs/dbraw/zinc/30/16/40/1028301640.db2.gz PDSPXCMHGRAHOY-UHFFFAOYSA-N 0 3 348.446 3.743 20 30 EHEDHN Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)n1C ZINC000066545347 1028332623 /nfs/dbraw/zinc/33/26/23/1028332623.db2.gz IFUZQFQRJFNCBO-HNNXBMFYSA-N 0 3 346.415 3.819 20 30 EHEDHN Cc1ccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)n1C ZINC000066545347 1028332644 /nfs/dbraw/zinc/33/26/44/1028332644.db2.gz IFUZQFQRJFNCBO-HNNXBMFYSA-N 0 3 346.415 3.819 20 30 EHEDHN N#Cc1cccc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1F ZINC000502594722 1028412119 /nfs/dbraw/zinc/41/21/19/1028412119.db2.gz VPWAOZXHIJKLGP-LJQANCHMSA-N 0 3 344.817 3.842 20 30 EHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(OCc2cccnc2)cc1 ZINC000583059461 1028708130 /nfs/dbraw/zinc/70/81/30/1028708130.db2.gz OFBGHKPOPJTCFX-MRXNPFEDSA-N 0 3 346.434 3.722 20 30 EHEDHN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1 ZINC000424085522 1028788066 /nfs/dbraw/zinc/78/80/66/1028788066.db2.gz FXASZUZGUGWKDW-QZTJIDSGSA-N 0 3 327.472 3.669 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000424090105 1028795107 /nfs/dbraw/zinc/79/51/07/1028795107.db2.gz JYOLNQCSPSSOLD-ZWKOTPCHSA-N 0 3 341.842 3.567 20 30 EHEDHN C[C@H](Nc1ccc(NC(=O)[C@H](N)CCCC#N)cc1)c1ccccc1 ZINC000424095221 1028796546 /nfs/dbraw/zinc/79/65/46/1028796546.db2.gz AEKXSMNYHGQFKX-HNAYVOBHSA-N 0 3 336.439 3.819 20 30 EHEDHN CCC[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424114880 1028812649 /nfs/dbraw/zinc/81/26/49/1028812649.db2.gz SPQAJXVAHFCZSB-HUUCEWRRSA-N 0 3 341.377 3.684 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000424115921 1028812835 /nfs/dbraw/zinc/81/28/35/1028812835.db2.gz WENNGPFNWGBICG-QGZVFWFLSA-N 0 3 347.890 3.679 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000424137108 1028825731 /nfs/dbraw/zinc/82/57/31/1028825731.db2.gz LKSNECOLMHZOBS-DLBZAZTESA-N 0 3 333.863 3.709 20 30 EHEDHN COc1cc(CN[C@H](C)c2cccc(-n3cccn3)c2)ccc1C#N ZINC000440818729 1028997438 /nfs/dbraw/zinc/99/74/38/1028997438.db2.gz AQHGGNYWZZRRLX-OAHLLOKOSA-N 0 3 332.407 3.603 20 30 EHEDHN CC(C)(C)OC(=O)Nc1ccc(CCNCc2ccc(C#N)o2)cc1 ZINC000088757277 1029083948 /nfs/dbraw/zinc/08/39/48/1029083948.db2.gz SEOSXIDXDLNVHQ-UHFFFAOYSA-N 0 3 341.411 3.831 20 30 EHEDHN CCc1ccc([C@@H](CNCc2ccc(C#N)cc2F)N(C)C)cc1 ZINC000533312170 1029595524 /nfs/dbraw/zinc/59/55/24/1029595524.db2.gz KZSWIWMRJYXTQA-HXUWFJFHSA-N 0 3 325.431 3.652 20 30 EHEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000272826258 1029821863 /nfs/dbraw/zinc/82/18/63/1029821863.db2.gz GXPXMQWFWQSIRL-OAHLLOKOSA-N 0 3 349.418 3.593 20 30 EHEDHN C=CCC[C@@H](C)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000273550365 1029825882 /nfs/dbraw/zinc/82/58/82/1029825882.db2.gz FSLSXUOEHLFHBZ-CQSZACIVSA-N 0 3 329.469 3.517 20 30 EHEDHN C=CCN(C)CCN(CC)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000429700515 1029954469 /nfs/dbraw/zinc/95/44/69/1029954469.db2.gz HWOZQNAHPHSCMG-OAHLLOKOSA-N 0 3 346.450 3.685 20 30 EHEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000429708379 1029961920 /nfs/dbraw/zinc/96/19/20/1029961920.db2.gz MIABSJZGAKEEAA-KRWDZBQOSA-N 0 3 331.504 3.577 20 30 EHEDHN C=CCC[C@@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000458577424 1030057499 /nfs/dbraw/zinc/05/74/99/1030057499.db2.gz ORVRUICHIHGFRK-FXAWDEMLSA-N 0 3 341.499 3.820 20 30 EHEDHN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)c1ccc(C#N)cc1 ZINC000453368975 1030184469 /nfs/dbraw/zinc/18/44/69/1030184469.db2.gz NEDJXJQSOUHJMW-KLIQENQMSA-N 0 3 338.455 3.603 20 30 EHEDHN COCc1cccc(OCC2(CN3CCC(C#N)CC3)CCC2)c1 ZINC000343312969 1030227942 /nfs/dbraw/zinc/22/79/42/1030227942.db2.gz FNFZYDGFOPMUPJ-UHFFFAOYSA-N 0 3 328.456 3.618 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@@H](C)c1cccc(O)c1 ZINC000121289642 1030238086 /nfs/dbraw/zinc/23/80/86/1030238086.db2.gz NNVAVHOWNXLCNV-JXFKEZNVSA-N 0 3 341.451 3.553 20 30 EHEDHN CC[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000278353366 1030324650 /nfs/dbraw/zinc/32/46/50/1030324650.db2.gz ZODRCTVRBQBBEG-HXUWFJFHSA-N 0 3 333.435 3.926 20 30 EHEDHN C[C@@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H](C)CN1C ZINC000482527892 1030508107 /nfs/dbraw/zinc/50/81/07/1030508107.db2.gz GAPQQUIXDYMCFO-QZTJIDSGSA-N 0 3 349.478 3.662 20 30 EHEDHN C=CCC[C@H](O)CN1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000093259681 1030576612 /nfs/dbraw/zinc/57/66/12/1030576612.db2.gz ROSMLVFODHHRAY-AWEZNQCLSA-N 0 3 334.510 3.865 20 30 EHEDHN Cc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000190619986 1030679257 /nfs/dbraw/zinc/67/92/57/1030679257.db2.gz OOFPLDAOERUJOO-LAUBAEHRSA-N 0 3 347.462 3.627 20 30 EHEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000026227473 1031391172 /nfs/dbraw/zinc/39/11/72/1031391172.db2.gz KWSGIQXWOMVUPD-CYBMUJFWSA-N 0 3 327.815 3.891 20 30 EHEDHN C[C@@H](NC[C@]1(C)COc2ccccc2O1)c1ccc(C#N)cc1F ZINC000527927007 1031418725 /nfs/dbraw/zinc/41/87/25/1031418725.db2.gz BVGGZPVCFCVCPG-BFUOFWGJSA-N 0 3 326.371 3.578 20 30 EHEDHN CC1CCN([C@H](CNC(=O)CC(C)(C)C#N)c2cccs2)CC1 ZINC000278605593 1031607095 /nfs/dbraw/zinc/60/70/95/1031607095.db2.gz VMSZVOKEBNMGRH-OAHLLOKOSA-N 0 3 333.501 3.577 20 30 EHEDHN N#Cc1cccc(OCCN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000477516210 1031623851 /nfs/dbraw/zinc/62/38/51/1031623851.db2.gz YKQGKRGTKGJFCC-GOSISDBHSA-N 0 3 336.391 3.503 20 30 EHEDHN CC[C@@H](NCc1ccc(S(=O)(=O)CC)cc1)c1ccc(C#N)cc1 ZINC000278644111 1031803170 /nfs/dbraw/zinc/80/31/70/1031803170.db2.gz HSOJWWHTKAZEST-LJQANCHMSA-N 0 3 342.464 3.593 20 30 EHEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584175520 1031859770 /nfs/dbraw/zinc/85/97/70/1031859770.db2.gz CFSUPQQJKFJYRG-DYVFJYSZSA-N 0 3 339.370 3.984 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000181093146 1031946819 /nfs/dbraw/zinc/94/68/19/1031946819.db2.gz RNIQMCSKRHALSI-MRXNPFEDSA-N 0 3 333.476 3.630 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC1CCCCC1 ZINC000219617908 1032051207 /nfs/dbraw/zinc/05/12/07/1032051207.db2.gz IMKKJKFCJICPHS-INIZCTEOSA-N 0 3 345.462 3.973 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000598595591 1033319701 /nfs/dbraw/zinc/31/97/01/1033319701.db2.gz KGYLHJUYNLCBKU-OALUTQOASA-N 0 3 326.415 3.805 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@@H](Cc3nccs3)C2)cc1OC ZINC000898071923 1033324840 /nfs/dbraw/zinc/32/48/40/1033324840.db2.gz USXCIQVWLBMLLA-INIZCTEOSA-N 0 3 344.480 3.781 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000594428564 1033365665 /nfs/dbraw/zinc/36/56/65/1033365665.db2.gz NDILWRHRTXYXDC-GOSISDBHSA-N 0 3 331.435 3.508 20 30 EHEDHN Cc1ccc(-c2nc(NC(=O)[C@H](N)CCCCC#N)sc2C)s1 ZINC000594434826 1033370802 /nfs/dbraw/zinc/37/08/02/1033370802.db2.gz UQSUBPMGLXLDOF-GFCCVEGCSA-N 0 3 348.497 3.838 20 30 EHEDHN Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H](N)CCCCC#N)c1C ZINC000594433782 1033372720 /nfs/dbraw/zinc/37/27/20/1033372720.db2.gz SOVJXIYFXBPPKC-OALUTQOASA-N 0 3 327.472 3.768 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000594435880 1033373337 /nfs/dbraw/zinc/37/33/37/1033373337.db2.gz GCXLXBYQUUQMLR-DLBZAZTESA-N 0 3 333.863 3.805 20 30 EHEDHN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H](N)CCCCC#N)CCC2 ZINC000594443299 1033378819 /nfs/dbraw/zinc/37/88/19/1033378819.db2.gz OELSZLVYKAXJCB-RTBURBONSA-N 0 3 327.472 3.715 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 ZINC000106038828 1033530540 /nfs/dbraw/zinc/53/05/40/1033530540.db2.gz TVGXQIRNWOEQLS-CQSZACIVSA-N 0 3 332.513 3.643 20 30 EHEDHN CCOc1cc(CNCc2ccc(C3(C#N)CC3)cc2)ccc1OC ZINC000594920176 1033544699 /nfs/dbraw/zinc/54/46/99/1033544699.db2.gz DPEJEBIJIXNURE-UHFFFAOYSA-N 0 3 336.435 3.939 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000106338673 1033570551 /nfs/dbraw/zinc/57/05/51/1033570551.db2.gz ICLGITCCXGPSHB-KRWDZBQOSA-N 0 3 343.515 3.692 20 30 EHEDHN N#Cc1ccc(OCCNCc2csc(C(F)(F)F)c2)cc1 ZINC000598960485 1033594340 /nfs/dbraw/zinc/59/43/40/1033594340.db2.gz FHQSAJORAPVTRA-UHFFFAOYSA-N 0 3 326.343 3.807 20 30 EHEDHN N#Cc1ccc(CN[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)o1 ZINC000594965844 1033604705 /nfs/dbraw/zinc/60/47/05/1033604705.db2.gz LOEFCDFPZFGYOL-GOSISDBHSA-N 0 3 330.815 3.686 20 30 EHEDHN COc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)ccc1C ZINC000594982082 1033619192 /nfs/dbraw/zinc/61/91/92/1033619192.db2.gz YUYXXHPECHDPIQ-UHFFFAOYSA-N 0 3 336.435 3.671 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2scnc2C)cc1 ZINC000173969991 1033636957 /nfs/dbraw/zinc/63/69/57/1033636957.db2.gz WUUREYWTPGNOSW-OAHLLOKOSA-N 0 3 341.436 3.755 20 30 EHEDHN N#CC(C(=O)CCC1CCOCC1)c1nc2ccccc2n1C(F)F ZINC000174000323 1033649862 /nfs/dbraw/zinc/64/98/62/1033649862.db2.gz DDYKALBUIBFDNX-ZDUSSCGKSA-N 0 3 347.365 3.814 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H](n1cccn1)C(F)(F)F ZINC000599058402 1033696618 /nfs/dbraw/zinc/69/66/18/1033696618.db2.gz UFZLKXPOEJYTHC-JKSUJKDBSA-N 0 3 334.345 3.525 20 30 EHEDHN N#Cc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)ccc1Cl ZINC000593016437 1033815390 /nfs/dbraw/zinc/81/53/90/1033815390.db2.gz PRXBMAOETKONPP-NEPJUHHUSA-N 0 3 346.736 3.898 20 30 EHEDHN N#Cc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)ccc1Cl ZINC000593016440 1033815914 /nfs/dbraw/zinc/81/59/14/1033815914.db2.gz PRXBMAOETKONPP-VXGBXAGGSA-N 0 3 346.736 3.898 20 30 EHEDHN CCC(C#N)(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000599222255 1033821504 /nfs/dbraw/zinc/82/15/04/1033821504.db2.gz UKFYYGFPBVHTPJ-SFHVURJKSA-N 0 3 327.472 3.578 20 30 EHEDHN N#CC1(C[C@H](O)CN2CCC[C@H]2c2ccccc2Cl)CCOCC1 ZINC000599265398 1033841190 /nfs/dbraw/zinc/84/11/90/1033841190.db2.gz QZQDBWVJBRMFHZ-YJBOKZPZSA-N 0 3 348.874 3.548 20 30 EHEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C)c(C#N)c1 ZINC000599283619 1033846702 /nfs/dbraw/zinc/84/67/02/1033846702.db2.gz AOACIXJAPJEPGQ-UHFFFAOYSA-N 0 3 335.451 3.591 20 30 EHEDHN C=CCn1cc(CN[C@H](CC)Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000658037484 1033859802 /nfs/dbraw/zinc/85/98/02/1033859802.db2.gz GZAHMCZYTRUWRF-OAHLLOKOSA-N 0 3 338.377 3.594 20 30 EHEDHN CC(C)(NCc1cc2c(c(Cl)c1)OCO2)c1cccc(C#N)c1 ZINC000595635866 1033911335 /nfs/dbraw/zinc/91/13/35/1033911335.db2.gz NPRHWQFZUQKCHY-UHFFFAOYSA-N 0 3 328.799 3.965 20 30 EHEDHN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@H](O)CC1(C#N)CC1 ZINC000599385848 1033913736 /nfs/dbraw/zinc/91/37/36/1033913736.db2.gz PGTKJSUAPZWDKG-UKRRQHHQSA-N 0 3 326.362 3.633 20 30 EHEDHN Cc1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1C#N ZINC000599437615 1033938084 /nfs/dbraw/zinc/93/80/84/1033938084.db2.gz QBWDAGOTIYZGEO-UHFFFAOYSA-N 0 3 332.447 3.931 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593101763 1033942831 /nfs/dbraw/zinc/94/28/31/1033942831.db2.gz STUKPZIMNMELCG-STQMWFEESA-N 0 3 326.318 3.553 20 30 EHEDHN CC(C)C[C@@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000609011108 1033976196 /nfs/dbraw/zinc/97/61/96/1033976196.db2.gz AOIBXJIOZZAXSD-QGZVFWFLSA-N 0 3 329.488 3.521 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599591220 1034028123 /nfs/dbraw/zinc/02/81/23/1034028123.db2.gz TXMMBPLMRRCZHB-YJBOKZPZSA-N 0 3 328.456 3.666 20 30 EHEDHN Cc1cc(NC[C@H](c2cccs2)N(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596053653 1034055491 /nfs/dbraw/zinc/05/54/91/1034055491.db2.gz GHUHMFZVPQELDK-CQSZACIVSA-N 0 3 330.413 3.551 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1nc(C#N)c(Cl)s1 ZINC000596142137 1034091063 /nfs/dbraw/zinc/09/10/63/1034091063.db2.gz DUXRQNTXWHTFBV-ZDUSSCGKSA-N 0 3 346.887 3.769 20 30 EHEDHN CC1CCN([C@@H](CNC(=O)C2(C#N)CCCC2)c2ccccc2)CC1 ZINC000604255996 1034299244 /nfs/dbraw/zinc/29/92/44/1034299244.db2.gz BJFFZSNZMRXMDA-IBGZPJMESA-N 0 3 339.483 3.660 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000171563388 1034464692 /nfs/dbraw/zinc/46/46/92/1034464692.db2.gz UNYKYTJGKXQGNL-KGLIPLIRSA-N 0 3 325.368 3.736 20 30 EHEDHN N#CC(C(=O)C[C@H]1CCCc2ccccc21)C(=O)NC1CCCCC1 ZINC000171776841 1034614868 /nfs/dbraw/zinc/61/48/68/1034614868.db2.gz FXOZYFXHDVCURL-APWZRJJASA-N 0 3 338.451 3.654 20 30 EHEDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000456696131 1034664034 /nfs/dbraw/zinc/66/40/34/1034664034.db2.gz PYHBRPVRFNGKSU-UHFFFAOYSA-N 0 3 341.499 3.725 20 30 EHEDHN C[C@@H](CC#N)C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000597491152 1034784444 /nfs/dbraw/zinc/78/44/44/1034784444.db2.gz AUURUDKDQZVNFW-SUMWQHHRSA-N 0 3 349.425 3.546 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000605754948 1034823418 /nfs/dbraw/zinc/82/34/18/1034823418.db2.gz BQQZXEODSMKHAB-FUHWJXTLSA-N 0 3 332.463 3.503 20 30 EHEDHN CN(C)C[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000597627988 1034848748 /nfs/dbraw/zinc/84/87/48/1034848748.db2.gz AFCRIZJMEUFNRK-KRWDZBQOSA-N 0 3 347.890 3.923 20 30 EHEDHN C=CCCCN(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000605977076 1034854200 /nfs/dbraw/zinc/85/42/00/1034854200.db2.gz NRRGKCRTSBTKBE-IBGZPJMESA-N 0 3 329.488 3.821 20 30 EHEDHN CN(c1ccccc1)C1CCN(CCOc2ccccc2C#N)CC1 ZINC000065956036 1035007912 /nfs/dbraw/zinc/00/79/12/1035007912.db2.gz IXGOPLWKJAYHQU-UHFFFAOYSA-N 0 3 335.451 3.538 20 30 EHEDHN C=CCCOCCNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000310648763 1035236497 /nfs/dbraw/zinc/23/64/97/1035236497.db2.gz NXTADAZXOZLGQV-UHFFFAOYSA-N 0 3 346.471 3.667 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000431710170 1035328569 /nfs/dbraw/zinc/32/85/69/1035328569.db2.gz IXUFZXHJXZPWAU-UHFFFAOYSA-N 0 3 340.471 3.595 20 30 EHEDHN Cc1nc([C@H](C)NC2CCC(Oc3ncccc3C#N)CC2)cs1 ZINC000581045707 1035474060 /nfs/dbraw/zinc/47/40/60/1035474060.db2.gz OUZQNQJORRNSFM-JQRITLKVSA-N 0 3 342.468 3.759 20 30 EHEDHN N#Cc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000045027184 1035754377 /nfs/dbraw/zinc/75/43/77/1035754377.db2.gz SIANDTDUGULKQG-MRXNPFEDSA-N 0 3 340.452 3.578 20 30 EHEDHN COc1ccc2c(c1)CC[C@@H](C(=O)C(C#N)c1nc3ccccc3o1)C2 ZINC000892553678 1036019455 /nfs/dbraw/zinc/01/94/55/1036019455.db2.gz RUALPXNAUOCFJJ-NVXWUHKLSA-N 0 3 346.386 3.818 20 30 EHEDHN CC(C)(C)CCN1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443517199 1036224436 /nfs/dbraw/zinc/22/44/36/1036224436.db2.gz IFRVVADSQJAJNI-UHFFFAOYSA-N 0 3 340.393 3.530 20 30 EHEDHN C[C@@H](NC[C@@]1(C)OCCc2sccc21)c1ccc(C#N)cc1F ZINC000589349657 1036369538 /nfs/dbraw/zinc/36/95/38/1036369538.db2.gz LQDUGVWUBQQOEO-KZULUSFZSA-N 0 3 330.428 3.898 20 30 EHEDHN Cc1cccc(NC2CCN(CCOc3ccc(C#N)cc3)CC2)c1 ZINC000153007037 1036378014 /nfs/dbraw/zinc/37/80/14/1036378014.db2.gz ARQHWJQNRAURPU-UHFFFAOYSA-N 0 3 335.451 3.822 20 30 EHEDHN CCCOc1ccc(CNCc2ccc(OCC#N)cc2)cc1OC ZINC000075772595 1036587911 /nfs/dbraw/zinc/58/79/11/1036587911.db2.gz DOBXPNOXPCCNPD-UHFFFAOYSA-N 0 3 340.423 3.676 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3ccc(Cl)nc3)CC2)cc1 ZINC000180317957 1036645504 /nfs/dbraw/zinc/64/55/04/1036645504.db2.gz HNGIOXKXEKFWRY-UHFFFAOYSA-N 0 3 326.831 3.683 20 30 EHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000309945384 1036743454 /nfs/dbraw/zinc/74/34/54/1036743454.db2.gz GLANRPOMKREPGF-VQHPVUNQSA-N 0 3 335.492 3.694 20 30 EHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000309945382 1036744198 /nfs/dbraw/zinc/74/41/98/1036744198.db2.gz GLANRPOMKREPGF-QBPKDAKJSA-N 0 3 335.492 3.694 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@H]1c1cccc(C)c1C ZINC000464782223 1036775688 /nfs/dbraw/zinc/77/56/88/1036775688.db2.gz VZLWUTXWWFNGSQ-UZLBHIALSA-N 0 3 341.499 3.839 20 30 EHEDHN CCCN(C(=O)CC1(C#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000590202961 1036794947 /nfs/dbraw/zinc/79/49/47/1036794947.db2.gz WKONIRJWXNUVLQ-IBGZPJMESA-N 0 3 339.483 3.583 20 30 EHEDHN Cc1cccc(NC2CCN(CCOc3cccc(C#N)c3)CC2)c1 ZINC000153053611 1036982575 /nfs/dbraw/zinc/98/25/75/1036982575.db2.gz OQHKYSGYGLDZDK-UHFFFAOYSA-N 0 3 335.451 3.822 20 30 EHEDHN COc1ccccc1[C@@H](CNc1nc(C#N)ccc1C)N1CCCC1 ZINC000596053784 1037103750 /nfs/dbraw/zinc/10/37/50/1037103750.db2.gz HXJGESCMPKWNPG-GOSISDBHSA-N 0 3 336.439 3.519 20 30 EHEDHN CCOCCOCc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000271822344 1037381654 /nfs/dbraw/zinc/38/16/54/1037381654.db2.gz CPDYUXRLZLSSPA-KRWDZBQOSA-N 0 3 338.451 3.962 20 30 EHEDHN CC(C)c1ccc([C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C(C)C)cc1 ZINC000007804177 1037622376 /nfs/dbraw/zinc/62/23/76/1037622376.db2.gz DAONRNXCCMLAEL-RTWAWAEBSA-N 0 3 341.499 3.905 20 30 EHEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cc4ccccc4s3)C2)nc1 ZINC000428807186 1037875880 /nfs/dbraw/zinc/87/58/80/1037875880.db2.gz QKXSMKGBUNGZBN-INIZCTEOSA-N 0 3 335.432 3.821 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000592302181 1037912151 /nfs/dbraw/zinc/91/21/51/1037912151.db2.gz ALCGBVKTCFWXSA-HXUWFJFHSA-N 0 3 341.499 3.882 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC[C@H](C)C(C)=O)cc1 ZINC000122854467 1037929602 /nfs/dbraw/zinc/92/96/02/1037929602.db2.gz UMWAQWFWJVRBNV-KBXCAEBGSA-N 0 3 342.439 3.682 20 30 EHEDHN Cc1ccccc1[C@@H](NCC(=O)NCc1ccc(C#N)cc1)C(C)(C)C ZINC000540455836 1037979371 /nfs/dbraw/zinc/97/93/71/1037979371.db2.gz CYVKTQMECGUGBZ-OAQYLSRUSA-N 0 3 349.478 3.860 20 30 EHEDHN COc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1OC(F)F ZINC000041521845 1038116066 /nfs/dbraw/zinc/11/60/66/1038116066.db2.gz VRTVLJMNAUGKGK-SNVBAGLBSA-N 0 3 338.335 3.552 20 30 EHEDHN C[C@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(C#N)c(F)c1 ZINC000538506875 1038348066 /nfs/dbraw/zinc/34/80/66/1038348066.db2.gz IFYKMNMZNAYPCU-SGTLLEGYSA-N 0 3 347.384 3.929 20 30 EHEDHN C[C@H]1CSCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000488237923 1038993419 /nfs/dbraw/zinc/99/34/19/1038993419.db2.gz ZQUVCODOGVJWFR-CYBMUJFWSA-N 0 3 329.387 3.622 20 30 EHEDHN C=C[C@H](CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1 ZINC000554640037 1039547478 /nfs/dbraw/zinc/54/74/78/1039547478.db2.gz GZTVIHHSGYVGSZ-UZLBHIALSA-N 0 3 340.442 3.905 20 30 EHEDHN C=CCn1cccc1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000489048725 1039589938 /nfs/dbraw/zinc/58/99/38/1039589938.db2.gz FWNNLWJRENKDHP-UHFFFAOYSA-N 0 3 345.874 3.532 20 30 EHEDHN COc1cccc(NC(=O)C[C@H](C)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000584734715 1039667488 /nfs/dbraw/zinc/66/74/88/1039667488.db2.gz JJIXXLYHVWIYJH-HNNXBMFYSA-N 0 3 349.434 3.563 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000912125385 1039703361 /nfs/dbraw/zinc/70/33/61/1039703361.db2.gz ZWQCWZWAXORSNT-CQSZACIVSA-N 0 3 349.500 3.747 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cnc(-c2ccccc2)s1 ZINC000128224623 1039769858 /nfs/dbraw/zinc/76/98/58/1039769858.db2.gz BOVZJDKGDJPJES-HNNXBMFYSA-N 0 3 347.399 3.771 20 30 EHEDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000553151095 1039823230 /nfs/dbraw/zinc/82/32/30/1039823230.db2.gz XAMUFJQROLERBE-UHFFFAOYSA-N 0 3 341.499 3.826 20 30 EHEDHN C[C@@H]1C[C@H](C)CN(C(=O)CN[C@H](CCCC#N)c2ccccc2)C1 ZINC000433017990 1040461786 /nfs/dbraw/zinc/46/17/86/1040461786.db2.gz DTXRMZIBWZCUSD-ZIFCJYIRSA-N 0 3 327.472 3.516 20 30 EHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@@H]1CC=CCC1 ZINC000542247726 1040650348 /nfs/dbraw/zinc/65/03/48/1040650348.db2.gz PMUDYCGNHLLAFT-UONOGXRCSA-N 0 3 331.847 3.827 20 30 EHEDHN C#CCN(C(=S)Nc1cccc(C(C)C)c1)C1CCN(C)CC1 ZINC000899614254 1040877344 /nfs/dbraw/zinc/87/73/44/1040877344.db2.gz ZZKVANTYIIECHI-UHFFFAOYSA-N 0 3 329.513 3.536 20 30 EHEDHN C#Cc1cccc(NC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000155648381 1040882380 /nfs/dbraw/zinc/88/23/80/1040882380.db2.gz CDGIFBFYPWDRCG-NRFANRHFSA-N 0 3 347.462 3.796 20 30 EHEDHN COc1ccccc1[C@H](CNc1cc(C)nc(C#N)c1)N1CCCC1 ZINC000586976709 1041085582 /nfs/dbraw/zinc/08/55/82/1041085582.db2.gz HWKSSPMZYMCSLJ-IBGZPJMESA-N 0 3 336.439 3.519 20 30 EHEDHN N#Cc1cccc(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000511858912 1041733199 /nfs/dbraw/zinc/73/31/99/1041733199.db2.gz JKSJMHIIBQSORU-PWRODBHTSA-N 0 3 345.446 3.765 20 30 EHEDHN COc1ccc(CNC[C@@H](OC)c2ccccc2Cl)cc1C#N ZINC000125040301 1041822630 /nfs/dbraw/zinc/82/26/30/1041822630.db2.gz SKVNDCBERDHEAA-GOSISDBHSA-N 0 3 330.815 3.698 20 30 EHEDHN CC(C)(C)OC(=O)NCc1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000893470040 1042210408 /nfs/dbraw/zinc/21/04/08/1042210408.db2.gz HBUWPKRSWGKVAV-UHFFFAOYSA-N 0 3 343.471 3.837 20 30 EHEDHN CC[C@H](Cc1ccccc1)N(CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000468929141 1042443242 /nfs/dbraw/zinc/44/32/42/1042443242.db2.gz LFMALBOPYFQXTR-OAQYLSRUSA-N 0 3 349.478 3.518 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000662090325 1042511590 /nfs/dbraw/zinc/51/15/90/1042511590.db2.gz MUNCULTZYHABKS-JCGIZDLHSA-N 0 3 336.439 3.587 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)CC(C)(C)C1 ZINC000344023670 1043115275 /nfs/dbraw/zinc/11/52/75/1043115275.db2.gz BDCHOLPOSHFMAE-IRXDYDNUSA-N 0 3 327.472 3.690 20 30 EHEDHN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(C#N)cc1 ZINC000344309044 1043632498 /nfs/dbraw/zinc/63/24/98/1043632498.db2.gz URJVVRYZAFREAE-CZUORRHYSA-N 0 3 339.826 3.668 20 30 EHEDHN CCOc1cccc(/C=N/C[C@H](c2ccc(C)cc2)N(C)C)c1O ZINC000067005669 1043761508 /nfs/dbraw/zinc/76/15/08/1043761508.db2.gz HRQOSITWGQSUIM-KOMLCTQHSA-N 0 3 326.440 3.821 20 30 EHEDHN C=CCOc1ccc(CN[C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000512233234 1044306402 /nfs/dbraw/zinc/30/64/02/1044306402.db2.gz HAKILYJGSVILPA-HXUWFJFHSA-N 0 3 336.435 3.537 20 30 EHEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000606968140 1044563637 /nfs/dbraw/zinc/56/36/37/1044563637.db2.gz RWTVGMFXTFQPFV-IBGZPJMESA-N 0 3 329.488 3.649 20 30 EHEDHN CN(C)c1ccccc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000072607833 1126798109 /nfs/dbraw/zinc/79/81/09/1126798109.db2.gz CYNIGTDTXOARIQ-UHFFFAOYSA-N 0 3 335.451 3.668 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccccc2OCCC(C)C)CC1 ZINC000654181443 1126883712 /nfs/dbraw/zinc/88/37/12/1126883712.db2.gz MRFZPWQERABIEC-UHFFFAOYSA-N 0 3 345.487 3.883 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(-n3ccnc3)cc2)c1 ZINC000073012371 1126975421 /nfs/dbraw/zinc/97/54/21/1126975421.db2.gz IPYKXDLIKJRSCW-FQEVSTJZSA-N 0 3 346.434 3.843 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000765038213 1127564656 /nfs/dbraw/zinc/56/46/56/1127564656.db2.gz QKWBNJSOUOWYOZ-JKSUJKDBSA-N 0 3 348.446 3.995 20 30 EHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1Cn1cccn1 ZINC000765014121 1127562999 /nfs/dbraw/zinc/56/29/99/1127562999.db2.gz KEUHWRZLISNHFW-MRXNPFEDSA-N 0 3 346.434 3.662 20 30 EHEDHN C=CCN(CCc1ccco1)C[C@H](O)COc1cc(C)ccc1Cl ZINC001168579387 1128005620 /nfs/dbraw/zinc/00/56/20/1128005620.db2.gz IUFGSDPQZIVVNU-INIZCTEOSA-N 0 3 349.858 3.712 20 30 EHEDHN COc1ccc([C@@H](CNc2ccc(F)cc2C#N)N2CCCC2)cc1 ZINC000301373807 1128588302 /nfs/dbraw/zinc/58/83/02/1128588302.db2.gz UTDZHAUCFSEOLH-HXUWFJFHSA-N 0 3 339.414 3.955 20 30 EHEDHN COc1cccc([C@@H](CNc2c(C#N)cccc2C#N)N2CCCC2)c1 ZINC000302862941 1128652107 /nfs/dbraw/zinc/65/21/07/1128652107.db2.gz WLCPLAYOKDWEGF-HXUWFJFHSA-N 0 3 346.434 3.688 20 30 EHEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000185374101 1120411704 /nfs/dbraw/zinc/41/17/04/1120411704.db2.gz CNVDNXXCWRYAOT-MRXNPFEDSA-N 0 3 332.513 3.819 20 30 EHEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000176535229 1120596551 /nfs/dbraw/zinc/59/65/51/1120596551.db2.gz UXFXDVBORJTVQW-CYBMUJFWSA-N 0 3 325.195 3.997 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000494672106 1120717072 /nfs/dbraw/zinc/71/70/72/1120717072.db2.gz GGWSZWATTYGUFR-LJQANCHMSA-N 0 3 341.499 3.573 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)c2c(F)cccc2F)c1 ZINC000153288677 1120937042 /nfs/dbraw/zinc/93/70/42/1120937042.db2.gz VSMQFWKQPPAOKI-TZMCWYRMSA-N 0 3 342.345 3.724 20 30 EHEDHN C=CCCCN(C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000076801781 1128951667 /nfs/dbraw/zinc/95/16/67/1128951667.db2.gz HKHGJNRQKVBDOS-LJQANCHMSA-N 0 3 346.471 3.991 20 30 EHEDHN [O-]c1ccc(Cl)cc1/C=N\CCC[N@@H+]1CCc2ccccc2C1 ZINC000914702128 1120955911 /nfs/dbraw/zinc/95/59/11/1120955911.db2.gz XDDFGLCIDQTDKS-BKUYFWCQSA-N 0 3 328.843 3.913 20 30 EHEDHN [O-]c1ccc(Cl)cc1/C=N\CCC[N@H+]1CCc2ccccc2C1 ZINC000914702128 1120955914 /nfs/dbraw/zinc/95/59/14/1120955914.db2.gz XDDFGLCIDQTDKS-BKUYFWCQSA-N 0 3 328.843 3.913 20 30 EHEDHN N#CC(C(=O)CCc1cccc(Br)c1)c1cccc(F)n1 ZINC001122631220 1121012604 /nfs/dbraw/zinc/01/26/04/1121012604.db2.gz CNYSYSJFRSXIJA-ZDUSSCGKSA-N 0 3 347.187 3.792 20 30 EHEDHN CC(C)c1cccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000762069405 1121089270 /nfs/dbraw/zinc/08/92/70/1121089270.db2.gz QVHJVGOMOUHGDP-GFCCVEGCSA-N 0 3 341.798 3.820 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCCCCCc2ccccc2)CC1 ZINC000303310986 1121136409 /nfs/dbraw/zinc/13/64/09/1121136409.db2.gz KGHUDABDXLHILE-UHFFFAOYSA-N 0 3 343.515 3.739 20 30 EHEDHN C[C@@H](C[C@H](O)c1ccco1)NCc1cc(C#N)ccc1Br ZINC000921951717 1128965135 /nfs/dbraw/zinc/96/51/35/1128965135.db2.gz XGLLTPOQFVGMSF-NHYWBVRUSA-N 0 3 349.228 3.516 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000153649054 1121550877 /nfs/dbraw/zinc/55/08/77/1121550877.db2.gz BBTICEXVKDJKCI-INIZCTEOSA-N 0 3 349.409 3.874 20 30 EHEDHN Cc1nc(C(C)C)sc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000916899328 1122382214 /nfs/dbraw/zinc/38/22/14/1122382214.db2.gz PVJGXUSRWSGYFI-AWEZNQCLSA-N 0 3 341.436 3.845 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cc(C)oc1C ZINC000916901155 1122382282 /nfs/dbraw/zinc/38/22/82/1122382282.db2.gz ZRWYPKKGQIWGEV-KRWDZBQOSA-N 0 3 338.407 3.982 20 30 EHEDHN Cc1cc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)ccc1C#N ZINC000497230199 1122394075 /nfs/dbraw/zinc/39/40/75/1122394075.db2.gz RPBSLGVGZZCDOU-HNNXBMFYSA-N 0 3 335.407 3.674 20 30 EHEDHN CC(C)CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917097101 1122497689 /nfs/dbraw/zinc/49/76/89/1122497689.db2.gz ZBHKAYBMBGQUDV-HNNXBMFYSA-N 0 3 341.480 3.983 20 30 EHEDHN CCC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000917171751 1122548013 /nfs/dbraw/zinc/54/80/13/1122548013.db2.gz SBUVQZDGJWWBIB-AWEZNQCLSA-N 0 3 327.453 3.595 20 30 EHEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)C1=O ZINC000499608937 1129077615 /nfs/dbraw/zinc/07/76/15/1129077615.db2.gz WXNXRNPPWXGEGW-FOIQADDNSA-N 0 3 338.426 3.930 20 30 EHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000072670058 1123140409 /nfs/dbraw/zinc/14/04/09/1123140409.db2.gz CAZMYBOYPILUOO-HNNXBMFYSA-N 0 3 325.408 3.873 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000074206667 1123264907 /nfs/dbraw/zinc/26/49/07/1123264907.db2.gz NKXKNRNZBQJTMN-KGLIPLIRSA-N 0 3 340.414 3.752 20 30 EHEDHN C=C(C)COCCNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000134502137 1123528437 /nfs/dbraw/zinc/52/84/37/1123528437.db2.gz IBGKWCOPVYWLRZ-QGZVFWFLSA-N 0 3 339.863 3.580 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2oc(C)cc2C)cc1Cl ZINC000175112875 1123597427 /nfs/dbraw/zinc/59/74/27/1123597427.db2.gz UZVUJGWSNRAYFR-GFCCVEGCSA-N 0 3 346.770 3.520 20 30 EHEDHN N#Cc1cccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000609627385 1123628635 /nfs/dbraw/zinc/62/86/35/1123628635.db2.gz IKBYOYVTZSOOQV-CYBMUJFWSA-N 0 3 336.351 3.553 20 30 EHEDHN CN(C)CCN(C(=O)c1cccc(SCC#N)c1)C1CCCCC1 ZINC000079440181 1123695681 /nfs/dbraw/zinc/69/56/81/1123695681.db2.gz OXLUNVJLNFHPQN-UHFFFAOYSA-N 0 3 345.512 3.639 20 30 EHEDHN CCCCCCCOc1cccc(CN2CCC(C(=O)NC)CC2)c1 ZINC000179825030 1123868758 /nfs/dbraw/zinc/86/87/58/1123868758.db2.gz QMYMNESWJGJKKK-UHFFFAOYSA-N 0 3 346.515 3.994 20 30 EHEDHN C[C@@H]1CN(CC(=O)Nc2ccccc2SCC#N)[C@@H]2CCCC[C@@H]21 ZINC000248424197 1124661411 /nfs/dbraw/zinc/66/14/11/1124661411.db2.gz NIQQWCROYKTVRF-BFYDXBDKSA-N 0 3 343.496 3.751 20 30 EHEDHN C[C@@](C#N)(NC(=O)CNC1(c2cccc(Cl)c2)CCCC1)C1CC1 ZINC000181457310 1124854939 /nfs/dbraw/zinc/85/49/39/1124854939.db2.gz VAZWMMZLFVKECM-SFHVURJKSA-N 0 3 345.874 3.507 20 30 EHEDHN N#CCOc1ccc(CNCc2cc(Br)cs2)cc1 ZINC000069710511 1125024875 /nfs/dbraw/zinc/02/48/75/1125024875.db2.gz VEVAVYJLHUBEJG-UHFFFAOYSA-N 0 3 337.242 3.703 20 30 EHEDHN CC[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000618571994 1125120663 /nfs/dbraw/zinc/12/06/63/1125120663.db2.gz CSUSZCAMYRNQNF-RBUKOAKNSA-N 0 3 325.456 3.533 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(Oc2cnccn2)cc1 ZINC000618741613 1125178636 /nfs/dbraw/zinc/17/86/36/1125178636.db2.gz HEGZQXUGIIJKFO-FQEVSTJZSA-N 0 3 342.402 3.918 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000618742610 1125178927 /nfs/dbraw/zinc/17/89/27/1125178927.db2.gz ZXIARKVJEXPKKY-IRLDBZIGSA-N 0 3 348.446 3.893 20 30 EHEDHN COCCOc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618802523 1125195615 /nfs/dbraw/zinc/19/56/15/1125195615.db2.gz FHHYTSSPASCHQD-YCRPNKLZSA-N 0 3 336.435 3.922 20 30 EHEDHN Cc1cc(C#N)ccc1CN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000619811233 1125410554 /nfs/dbraw/zinc/41/05/54/1125410554.db2.gz JCOHJDWAYHPCPO-UHFFFAOYSA-N 0 3 343.434 3.612 20 30 EHEDHN C[C@@H]1Cc2cc(CNC3(c4ccc(C#N)cc4)CCOCC3)ccc2O1 ZINC000922292824 1129443669 /nfs/dbraw/zinc/44/36/69/1129443669.db2.gz FDCBPZZLRSEXRX-MRXNPFEDSA-N 0 3 348.446 3.677 20 30 EHEDHN CCCCN(C)C(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118393800 1129507651 /nfs/dbraw/zinc/50/76/51/1129507651.db2.gz FSERSIOSHUKCKX-INIZCTEOSA-N 0 3 327.472 3.590 20 30 EHEDHN N#Cc1ccc2ncc(CN3CCC[C@H]3Cc3cccc(F)c3)n2c1 ZINC000092121039 1129533677 /nfs/dbraw/zinc/53/36/77/1129533677.db2.gz MJOAJPRDLFZYDP-SFHVURJKSA-N 0 3 334.398 3.552 20 30 EHEDHN C=CCOc1ccc(CNCc2c(C)cc(CO)cc2C)cc1OC ZINC000922562145 1129571013 /nfs/dbraw/zinc/57/10/13/1129571013.db2.gz XXHKNZZJGULTQA-UHFFFAOYSA-N 0 3 341.451 3.659 20 30 EHEDHN C=CCN1CCC(NC(=O)NCC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000171721439 1130082800 /nfs/dbraw/zinc/08/28/00/1130082800.db2.gz XJPJBDVDJDHAAY-UHFFFAOYSA-N 0 3 349.906 3.567 20 30 EHEDHN C[C@H](NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(C#N)cc1 ZINC000173992829 1130329741 /nfs/dbraw/zinc/32/97/41/1130329741.db2.gz LHEMOPANLICODW-KRWDZBQOSA-N 0 3 343.430 3.619 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000739143252 1131493303 /nfs/dbraw/zinc/49/33/03/1131493303.db2.gz HXDLUQDIOJFGFN-SJLPKXTDSA-N 0 3 328.456 3.894 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@](C)(O)c2ccsc2)c([O-])c1 ZINC000740763816 1131544334 /nfs/dbraw/zinc/54/43/34/1131544334.db2.gz QGVBYTCSCNCXDL-FUDBJYBQSA-N 0 3 332.469 3.627 20 30 EHEDHN CC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1c(C)nn(C)c1C ZINC000742388573 1131713666 /nfs/dbraw/zinc/71/36/66/1131713666.db2.gz YTAYBAJVOUGHBT-UGSOOPFHSA-N 0 3 326.444 3.569 20 30 EHEDHN Cc1cccc(N2CCC[C@]3(C2)CN([C@@H](C)CCCC#N)CCO3)c1 ZINC001172495668 1131759154 /nfs/dbraw/zinc/75/91/54/1131759154.db2.gz SLHCCUWWFLIGJD-PZJWPPBQSA-N 0 3 341.499 3.749 20 30 EHEDHN COc1cccc2c1C[C@@H](N1CCC(c3ccc(C#N)cc3)CC1)CO2 ZINC001173168292 1131999797 /nfs/dbraw/zinc/99/97/97/1131999797.db2.gz OCIZESNVXRYINA-LJQANCHMSA-N 0 3 348.446 3.750 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2C1CCC(CC#N)CC1 ZINC001173339437 1132053938 /nfs/dbraw/zinc/05/39/38/1132053938.db2.gz HOVMRXOGOWIZIA-GQGLESIBSA-N 0 3 333.476 3.543 20 30 EHEDHN COc1ccc(CN[C@@H](C)[C@H](O)c2c(F)cccc2Cl)cc1C#N ZINC000744447244 1132101161 /nfs/dbraw/zinc/10/11/61/1132101161.db2.gz HWRCJYKYTUPVBL-VOJFVSQTSA-N 0 3 348.805 3.571 20 30 EHEDHN C[C@H]1C[C@H](NC2(c3ccc(C#N)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168815772 1132568793 /nfs/dbraw/zinc/56/87/93/1132568793.db2.gz IUXXKQJEJXQZGL-YOEHRIQHSA-N 0 3 341.455 3.535 20 30 EHEDHN CCCN1CCc2c(N)sc(Nc3ccc(F)c(C#N)c3)c2C1 ZINC001176614484 1132972005 /nfs/dbraw/zinc/97/20/05/1132972005.db2.gz JNVJQVYHLFQNNR-UHFFFAOYSA-N 0 3 330.432 3.853 20 30 EHEDHN C=CCOc1cccc(CNCc2ccc(N3CCCCC3)nc2)c1 ZINC001177290731 1133047068 /nfs/dbraw/zinc/04/70/68/1133047068.db2.gz VMZCYSIVHSGHHW-UHFFFAOYSA-N 0 3 337.467 3.927 20 30 EHEDHN N#Cc1cc(F)c(NC(=O)C(C#N)Cc2cccs2)c(Cl)c1 ZINC001177916890 1133112918 /nfs/dbraw/zinc/11/29/18/1133112918.db2.gz MHNVKBXPWZGLAN-JTQLQIEISA-N 0 3 333.775 3.733 20 30 EHEDHN C#Cc1ccc(CNCc2ccccc2-n2nnc3ccccc32)cc1 ZINC001178759021 1133196372 /nfs/dbraw/zinc/19/63/72/1133196372.db2.gz RBWCPCOIJIXWNO-UHFFFAOYSA-N 0 3 338.414 3.692 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000769195795 1133241914 /nfs/dbraw/zinc/24/19/14/1133241914.db2.gz PMJWFXJIVXNOTJ-KRWDZBQOSA-N 0 3 346.471 3.598 20 30 EHEDHN COc1ccc2c(c1)CCCN(Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000769330590 1133263302 /nfs/dbraw/zinc/26/33/02/1133263302.db2.gz PMEMKANXKOPFDB-MRXNPFEDSA-N 0 3 336.435 3.934 20 30 EHEDHN C#CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000769529507 1133309659 /nfs/dbraw/zinc/30/96/59/1133309659.db2.gz BPETXFQPJVRQST-UHFFFAOYSA-N 0 3 337.217 3.735 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Cn1c2ccccc2c2ccccc21 ZINC001180080296 1133325876 /nfs/dbraw/zinc/32/58/76/1133325876.db2.gz VLQHAWOPJXFLNB-KRWDZBQOSA-N 0 3 347.462 3.561 20 30 EHEDHN Cc1cccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1F ZINC001180364535 1133366926 /nfs/dbraw/zinc/36/69/26/1133366926.db2.gz YCOIYRVODDYDHL-UHFFFAOYSA-N 0 3 337.442 3.714 20 30 EHEDHN Cc1cc(COC(=O)c2cccc(CN3CCCC3)c2)ccc1C#N ZINC000785712088 1133745812 /nfs/dbraw/zinc/74/58/12/1133745812.db2.gz BDQVUNCNCWYNLY-UHFFFAOYSA-N 0 3 334.419 3.820 20 30 EHEDHN CC[C@@H](C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786549359 1133873869 /nfs/dbraw/zinc/87/38/69/1133873869.db2.gz IEDQUOCYXNTHDP-CRAIPNDOSA-N 0 3 328.456 3.927 20 30 EHEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786565244 1133875026 /nfs/dbraw/zinc/87/50/26/1133875026.db2.gz QESISKLHAIOUQS-DOMZBBRYSA-N 0 3 348.393 3.506 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H](F)c1ccccc1)c1ccccc1 ZINC000787041697 1133943351 /nfs/dbraw/zinc/94/33/51/1133943351.db2.gz QNQBFJGJBOMUBV-BZSNNMDCSA-N 0 3 338.382 3.674 20 30 EHEDHN C[C@@H]1CCC[C@@H](CC(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787078388 1133947481 /nfs/dbraw/zinc/94/74/81/1133947481.db2.gz NEYXFIZZMBLZGQ-NXHRZFHOSA-N 0 3 326.440 3.570 20 30 EHEDHN C=CC[C@@H](CO)CNCc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000774827290 1134026105 /nfs/dbraw/zinc/02/61/05/1134026105.db2.gz OGAUUBOISDUXGF-OAHLLOKOSA-N 0 3 347.890 3.923 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)CC1(c2cccc(C)c2)CCC1 ZINC001185092608 1134027094 /nfs/dbraw/zinc/02/70/94/1134027094.db2.gz BJIJNJNIKSCGNL-IBGZPJMESA-N 0 3 326.484 3.573 20 30 EHEDHN COc1ccc(CNCc2ccc(SC)c(OC)c2)cc1C#N ZINC000746734463 1134094956 /nfs/dbraw/zinc/09/49/56/1134094956.db2.gz UFSQHQPNOKZISI-UHFFFAOYSA-N 0 3 328.437 3.587 20 30 EHEDHN COc1ccc(O)c(/C=N\C[C@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000746815572 1134276295 /nfs/dbraw/zinc/27/62/95/1134276295.db2.gz KWWVLTZYYQZIRQ-LELXDKESSA-N 0 3 332.831 3.776 20 30 EHEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@]2(C)CCCN(C)C2)c1 ZINC001189284785 1134561018 /nfs/dbraw/zinc/56/10/18/1134561018.db2.gz BIUJAQRBIICHKK-FQEVSTJZSA-N 0 3 329.488 3.738 20 30 EHEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@H]3CCCN(C)[C@@H]3C2)c1 ZINC001189268174 1134565171 /nfs/dbraw/zinc/56/51/71/1134565171.db2.gz WKYUYFSHZKJHJC-IEBWSBKVSA-N 0 3 341.499 3.690 20 30 EHEDHN CO[C@@](C)(C(=O)C(C#N)c1nccc2ccccc21)c1ccccc1 ZINC000792103449 1134650263 /nfs/dbraw/zinc/65/02/63/1134650263.db2.gz RXGPCFJMRDIDSQ-GHTZIAJQSA-N 0 3 330.387 3.973 20 30 EHEDHN N#CC(C(=O)CCc1cccc([N+](=O)[O-])c1)c1nccc2ccccc21 ZINC000792098585 1134653989 /nfs/dbraw/zinc/65/39/89/1134653989.db2.gz CPHXUGBFXDWLDP-SFHVURJKSA-N 0 3 345.358 3.952 20 30 EHEDHN CCC(CC)[C@H](NCc1cc(=O)n2ncc(C#N)c2[nH]1)c1ccccc1 ZINC001192653104 1135039461 /nfs/dbraw/zinc/03/94/61/1135039461.db2.gz LNKLHOHGEUFQDJ-IBGZPJMESA-N 0 3 349.438 3.574 20 30 EHEDHN CC1(C(=O)[C@@H](C#N)c2ccccn2)CCN(Cc2ccccc2)CC1 ZINC000805852974 1135339301 /nfs/dbraw/zinc/33/93/01/1135339301.db2.gz DBMWLUCWZDSATC-SFHVURJKSA-N 0 3 333.435 3.560 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCCC(C)(C)C)c1 ZINC000805925647 1135356339 /nfs/dbraw/zinc/35/63/39/1135356339.db2.gz FHSVUHXVIUICCZ-KRWDZBQOSA-N 0 3 328.456 3.927 20 30 EHEDHN Cc1ccc(CN2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)cc1C#N ZINC001195287642 1135406888 /nfs/dbraw/zinc/40/68/88/1135406888.db2.gz CTDRDRLXTOCFPV-RDJZCZTQSA-N 0 3 328.456 3.809 20 30 EHEDHN COc1cccc([C@@H](CNc2nc3ccccc3cc2C#N)N(C)C)c1 ZINC000747326911 1135436167 /nfs/dbraw/zinc/43/61/67/1135436167.db2.gz OCJZGFRGYDHWDR-HXUWFJFHSA-N 0 3 346.434 3.830 20 30 EHEDHN C=CC[C@H]1CCCN(CC(=O)NCc2ccccc2COCCC)C1 ZINC001195946800 1135498830 /nfs/dbraw/zinc/49/88/30/1135498830.db2.gz NVYBJVGAGJJJCC-SFHVURJKSA-N 0 3 344.499 3.518 20 30 EHEDHN CCN(C(=O)C#Cc1ccccc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000747367338 1135512306 /nfs/dbraw/zinc/51/23/06/1135512306.db2.gz CDLTXCUCBMSVSA-UGKGYDQZSA-N 0 3 346.474 3.722 20 30 EHEDHN COc1ccc(CCNCc2cc(C#N)ccc2Br)cc1 ZINC001198959675 1135869534 /nfs/dbraw/zinc/86/95/34/1135869534.db2.gz OYJIIUNJMWYYAF-UHFFFAOYSA-N 0 3 345.240 3.662 20 30 EHEDHN C#C[C@H](CC)NCc1cc(Br)c(OCC=C)c(OC)c1 ZINC000809686367 1135871838 /nfs/dbraw/zinc/87/18/38/1135871838.db2.gz OJFBUVMBHIRPPR-CYBMUJFWSA-N 0 3 338.245 3.524 20 30 EHEDHN N#Cc1ccc(CNCC[C@@H](O)c2ccc(Cl)c(Cl)c2)o1 ZINC000809754194 1135886667 /nfs/dbraw/zinc/88/66/67/1135886667.db2.gz FKZNDWMPBDCHCT-OAHLLOKOSA-N 0 3 325.195 3.671 20 30 EHEDHN CCCC[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000810126410 1135924819 /nfs/dbraw/zinc/92/48/19/1135924819.db2.gz XCZQRDBHYRWVKK-ZIAGYGMSSA-N 0 3 329.469 3.983 20 30 EHEDHN N#Cc1ccc(CNC[C@H](O)c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000810140539 1135927204 /nfs/dbraw/zinc/92/72/04/1135927204.db2.gz WGGRPWCFTFQJKX-INIZCTEOSA-N 0 3 338.304 3.539 20 30 EHEDHN COCc1cc([C@@H](C)NCc2ccc(C#N)c(OC)c2)ccc1OC ZINC000810251278 1135948845 /nfs/dbraw/zinc/94/88/45/1135948845.db2.gz PYPBWBZUQNFQHQ-CQSZACIVSA-N 0 3 340.423 3.573 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2(CCF)CC2)cc1 ZINC000810533833 1135970965 /nfs/dbraw/zinc/97/09/65/1135970965.db2.gz XEUAAXNGHVCLQQ-CZUORRHYSA-N 0 3 330.403 3.987 20 30 EHEDHN N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1O ZINC001201478154 1136032655 /nfs/dbraw/zinc/03/26/55/1136032655.db2.gz YMNWGQNUTWTJAE-UXHICEINSA-N 0 3 331.419 3.997 20 30 EHEDHN Cc1ccc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1C#N ZINC001132594099 1136042358 /nfs/dbraw/zinc/04/23/58/1136042358.db2.gz LEBCNGIIOPQUCQ-OAQYLSRUSA-N 0 3 347.462 3.651 20 30 EHEDHN CCCCCCCCCCS(=O)(=O)NC1CCN(C(C)C)CC1 ZINC001201838229 1136069293 /nfs/dbraw/zinc/06/92/93/1136069293.db2.gz ITTUMCRXACGALF-UHFFFAOYSA-N 0 3 346.581 3.919 20 30 EHEDHN C=CCc1cc(CN[C@@H](C)c2cccc(CO)c2)cc(OC)c1OC ZINC000776310686 1136151541 /nfs/dbraw/zinc/15/15/41/1136151541.db2.gz SJDOCKQUOUHWHC-HNNXBMFYSA-N 0 3 341.451 3.775 20 30 EHEDHN C[C@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000781421949 1136164107 /nfs/dbraw/zinc/16/41/07/1136164107.db2.gz JCIMFFUXVZALOU-DZGCQCFKSA-N 0 3 347.434 3.747 20 30 EHEDHN C[C@@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000781421951 1136164493 /nfs/dbraw/zinc/16/44/93/1136164493.db2.gz JCIMFFUXVZALOU-UKRRQHHQSA-N 0 3 347.434 3.747 20 30 EHEDHN C=CCOCCCNCc1c(C)nn(Cc2ccccc2)c1Cl ZINC000850378281 1136245573 /nfs/dbraw/zinc/24/55/73/1136245573.db2.gz WQUBMDAKMPUURC-UHFFFAOYSA-N 0 3 333.863 3.576 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(C#N)cc2[nH]ccc21 ZINC001170686605 1136248509 /nfs/dbraw/zinc/24/85/09/1136248509.db2.gz USEPCPYXXGYWEB-ZDUSSCGKSA-N 0 3 327.391 3.912 20 30 EHEDHN C#C[C@H](NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC000812793321 1136251417 /nfs/dbraw/zinc/25/14/17/1136251417.db2.gz UAVDEHLIPYAJKX-PXNSSMCTSA-N 0 3 346.446 3.737 20 30 EHEDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCCNC3=O)cc2)ccc1C#N ZINC000812801815 1136253571 /nfs/dbraw/zinc/25/35/71/1136253571.db2.gz OJNISFWGQFTHDZ-INIZCTEOSA-N 0 3 348.450 3.637 20 30 EHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000812903206 1136267695 /nfs/dbraw/zinc/26/76/95/1136267695.db2.gz QBGPNIUHJWWURH-INIZCTEOSA-N 0 3 348.450 3.523 20 30 EHEDHN CCOC1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCC1 ZINC000813215905 1136303510 /nfs/dbraw/zinc/30/35/10/1136303510.db2.gz CSSBRSZUPFLXHG-LBPRGKRZSA-N 0 3 326.318 3.626 20 30 EHEDHN CCc1cccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000813215910 1136303916 /nfs/dbraw/zinc/30/39/16/1136303916.db2.gz CTPMXQXMCVADNJ-HNNXBMFYSA-N 0 3 348.324 3.918 20 30 EHEDHN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813219237 1136304840 /nfs/dbraw/zinc/30/48/40/1136304840.db2.gz YHEGQCNNLNNRFO-PVXIVEMSSA-N 0 3 340.345 3.872 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCc4cc(F)ccc43)nc21 ZINC000850850275 1136311768 /nfs/dbraw/zinc/31/17/68/1136311768.db2.gz UANFAVGPUIYANR-HOTGVXAUSA-N 0 3 333.366 3.917 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CCc4cc(F)ccc43)[nH]c21 ZINC000850850275 1136311772 /nfs/dbraw/zinc/31/17/72/1136311772.db2.gz UANFAVGPUIYANR-HOTGVXAUSA-N 0 3 333.366 3.917 20 30 EHEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC(c2ccco2)CC1 ZINC000853526930 1136540953 /nfs/dbraw/zinc/54/09/53/1136540953.db2.gz DFHFRBGSAXFKKJ-UHFFFAOYSA-N 0 3 347.422 3.555 20 30 EHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(-n3cccn3)c(F)c2)cc1 ZINC000815146136 1136562330 /nfs/dbraw/zinc/56/23/30/1136562330.db2.gz ALXOMULJDZQXSA-MRXNPFEDSA-N 0 3 349.409 3.874 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000776798597 1136671596 /nfs/dbraw/zinc/67/15/96/1136671596.db2.gz KZAOWDKNIPDNQX-MAUKXSAKSA-N 0 3 343.471 3.744 20 30 EHEDHN C#CCOc1ccc(CNCc2ccnc(N3CCCCCC3)c2)cc1 ZINC000113339621 1136697137 /nfs/dbraw/zinc/69/71/37/1136697137.db2.gz QCDLUKNASMAGIL-UHFFFAOYSA-N 0 3 349.478 3.764 20 30 EHEDHN C#Cc1ccc(CN[C@H](C)c2ccc(N3CCCOC3=O)cc2)cc1 ZINC000816627593 1136739413 /nfs/dbraw/zinc/73/94/13/1136739413.db2.gz RIEFSHLWKFJZLU-MRXNPFEDSA-N 0 3 334.419 3.865 20 30 EHEDHN C#CCN1CCC(C(=O)NCc2ccc(C3CCCCC3)cc2)CC1 ZINC000817086340 1136777716 /nfs/dbraw/zinc/77/77/16/1136777716.db2.gz FRMYJYZZEAWBIC-UHFFFAOYSA-N 0 3 338.495 3.696 20 30 EHEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](O)c1c(F)cccc1F ZINC000817408865 1136805522 /nfs/dbraw/zinc/80/55/22/1136805522.db2.gz RAOJQHWHVHOOGH-SJLPKXTDSA-N 0 3 334.341 3.577 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCCCCC1 ZINC000856885105 1136820986 /nfs/dbraw/zinc/82/09/86/1136820986.db2.gz QOLLAGSWIGPXFO-INIZCTEOSA-N 0 3 331.435 3.727 20 30 EHEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001170882512 1136844589 /nfs/dbraw/zinc/84/45/89/1136844589.db2.gz SXZPJMZKYMQHTD-MAUKXSAKSA-N 0 3 343.471 3.541 20 30 EHEDHN Cc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000858828778 1136993648 /nfs/dbraw/zinc/99/36/48/1136993648.db2.gz VPIUQFNBBFGBDV-HXUWFJFHSA-N 0 3 349.478 3.563 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416335 1137014336 /nfs/dbraw/zinc/01/43/36/1137014336.db2.gz FVDBRFCFFCJUGP-XLIONFOSSA-N 0 3 342.389 3.749 20 30 EHEDHN CCCC1(CNCC(C)(C)C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822470677 1137061343 /nfs/dbraw/zinc/06/13/43/1137061343.db2.gz WUKVAPBEEFKBRD-UHFFFAOYSA-N 0 3 337.508 3.943 20 30 EHEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000860468963 1137061679 /nfs/dbraw/zinc/06/16/79/1137061679.db2.gz GVCGDCFZFMBPLW-IRXDYDNUSA-N 0 3 344.455 3.664 20 30 EHEDHN C=CC[C@H](C)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccc(OC)cc1 ZINC001144017794 1137229183 /nfs/dbraw/zinc/22/91/83/1137229183.db2.gz NCPNAPBVAUXMCA-HKUYNNGSSA-N 0 3 344.499 3.720 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCCO2)cc1 ZINC000120097894 1137233654 /nfs/dbraw/zinc/23/36/54/1137233654.db2.gz XZBRKNOCYNLQSB-WBAXXEDZSA-N 0 3 342.439 3.807 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC001144162882 1137246759 /nfs/dbraw/zinc/24/67/59/1137246759.db2.gz AVDZDRNOLIGGIE-OAHLLOKOSA-N 0 3 331.341 3.962 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(Br)cc3)C2)nc1 ZINC001144163129 1137246836 /nfs/dbraw/zinc/24/68/36/1137246836.db2.gz OHFKSNCRUADIJF-OAHLLOKOSA-N 0 3 342.240 3.705 20 30 EHEDHN Cc1cc(Br)cc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001144214574 1137252177 /nfs/dbraw/zinc/25/21/77/1137252177.db2.gz HJFITSZUBYWDLS-AWEZNQCLSA-N 0 3 338.270 3.532 20 30 EHEDHN [O-]c1ccc(Br)cc1/C=N/C1CC([NH+]2CCCCC2)C1 ZINC000794847259 1137291113 /nfs/dbraw/zinc/29/11/13/1137291113.db2.gz GYDNFDOIBXVYBN-WOJGMQOQSA-N 0 3 337.261 3.591 20 30 EHEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1sccc1Br)C2 ZINC000865848717 1137316386 /nfs/dbraw/zinc/31/63/86/1137316386.db2.gz VHCYTTXNZWSENK-ZDUSSCGKSA-N 0 3 333.254 3.639 20 30 EHEDHN Cc1ccc(CN2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171221589 1137346067 /nfs/dbraw/zinc/34/60/67/1137346067.db2.gz PVJNMLNAGZWLEP-IBGZPJMESA-N 0 3 333.479 3.616 20 30 EHEDHN Cc1cccc(N2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)c1C ZINC001171222930 1137347664 /nfs/dbraw/zinc/34/76/64/1137347664.db2.gz JSSCXIOKAJBLGO-SFHVURJKSA-N 0 3 333.479 3.928 20 30 EHEDHN Cc1ccnc(OC2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171231693 1137355501 /nfs/dbraw/zinc/35/55/01/1137355501.db2.gz KYBZJVBFCWDMLP-KRWDZBQOSA-N 0 3 335.451 3.736 20 30 EHEDHN C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cc(F)ccc1[O-] ZINC000866449303 1137355579 /nfs/dbraw/zinc/35/55/79/1137355579.db2.gz UFKXJWFTVRBVOL-AWEZNQCLSA-N 0 3 339.414 3.723 20 30 EHEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000103638360 1137426868 /nfs/dbraw/zinc/42/68/68/1137426868.db2.gz CVOKHJKVSODEDE-CRAIPNDOSA-N 0 3 326.440 3.728 20 30 EHEDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](NCc1cc(C#N)co1)C2 ZINC001172087532 1137531913 /nfs/dbraw/zinc/53/19/13/1137531913.db2.gz GHCSKGDISYDBIC-PHZGNYQRSA-N 0 3 345.443 3.561 20 30 EHEDHN C=CCOC[C@@H]1CCC[C@@]12CN([C@H](C)CCO[C@@H](C)CC)CCO2 ZINC001172341698 1137552458 /nfs/dbraw/zinc/55/24/58/1137552458.db2.gz XEPKEROKYZIGEX-FUMNGEBKSA-N 0 3 339.520 3.654 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000876548283 1137655147 /nfs/dbraw/zinc/65/51/47/1137655147.db2.gz AQSJUJXKTRQBTB-SNVBAGLBSA-N 0 3 327.133 3.767 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N([C@H](C)c1ccccc1Cl)C1CC1 ZINC000876585701 1137656322 /nfs/dbraw/zinc/65/63/22/1137656322.db2.gz SNOHHAOAPJOEHS-ABAIWWIYSA-N 0 3 327.255 3.862 20 30 EHEDHN Cc1ccc(OCCCCNCc2cc(C#N)cnc2Cl)cc1 ZINC000876942061 1137665905 /nfs/dbraw/zinc/66/59/05/1137665905.db2.gz UBXWDLVBQVZWAJ-UHFFFAOYSA-N 0 3 329.831 3.864 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(SC)c(Br)c1 ZINC000876993168 1137667200 /nfs/dbraw/zinc/66/72/00/1137667200.db2.gz WYASOPPOYJHPSQ-JTQLQIEISA-N 0 3 349.681 3.579 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CNC[C@H]2CC2(Cl)Cl)ccc1OC ZINC000877030087 1137668106 /nfs/dbraw/zinc/66/81/06/1137668106.db2.gz XMIFFEBPGRIYQA-CHWSQXEVSA-N 0 3 343.254 3.660 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CNC[C@@H]2CC2(Cl)Cl)ccc1OC ZINC000877030090 1137668122 /nfs/dbraw/zinc/66/81/22/1137668122.db2.gz XMIFFEBPGRIYQA-STQMWFEESA-N 0 3 343.254 3.660 20 30 EHEDHN CC(C)(C)OC(=O)CCCCCNCc1cc(C#N)cnc1Cl ZINC000877066497 1137669243 /nfs/dbraw/zinc/66/92/43/1137669243.db2.gz MVDJUXTYUPDGII-UHFFFAOYSA-N 0 3 337.851 3.598 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(Cc3nccs3)CC2)cc1 ZINC000877675454 1137685594 /nfs/dbraw/zinc/68/55/94/1137685594.db2.gz ZUNLJRRMWPTGLG-HNNXBMFYSA-N 0 3 341.480 3.889 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(CC2(CC#N)CC2)CC1 ZINC000878001093 1137699095 /nfs/dbraw/zinc/69/90/95/1137699095.db2.gz MSBIEUMCKXPIOL-QGZVFWFLSA-N 0 3 347.503 3.792 20 30 EHEDHN CS[C@H]1CCCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878287025 1137709987 /nfs/dbraw/zinc/70/99/87/1137709987.db2.gz PPVRFTRHPGZCLN-OALUTQOASA-N 0 3 330.497 3.645 20 30 EHEDHN CSC[C@@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878646724 1137723643 /nfs/dbraw/zinc/72/36/43/1137723643.db2.gz GRDHRCJULHQOCJ-MJGOQNOKSA-N 0 3 330.497 3.502 20 30 EHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000880096927 1137768037 /nfs/dbraw/zinc/76/80/37/1137768037.db2.gz DSGQZYPNVOTPBB-GFCCVEGCSA-N 0 3 335.329 3.702 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCCSC)cc1 ZINC000131016668 1137845126 /nfs/dbraw/zinc/84/51/26/1137845126.db2.gz QPUZWUOPDWENEX-INIZCTEOSA-N 0 3 332.469 3.820 20 30 EHEDHN C=CCC[C@@H](NCc1ccncc1OCC(F)(F)F)[C@@H]1CCCO1 ZINC000883220612 1137849253 /nfs/dbraw/zinc/84/92/53/1137849253.db2.gz MSXOQIZNZSVKNP-CABCVRRESA-N 0 3 344.377 3.626 20 30 EHEDHN CCOc1c(OC)cc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000101594944 1137870878 /nfs/dbraw/zinc/87/08/78/1137870878.db2.gz OAMSBNOXHYOWNB-AWEZNQCLSA-N 0 3 340.423 3.825 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H]2CC[C@@H](C)C2)c1C ZINC000429561695 1137885793 /nfs/dbraw/zinc/88/57/93/1137885793.db2.gz SENFHBDTUXGTMR-CRAIPNDOSA-N 0 3 327.472 3.671 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000113329012 1137912743 /nfs/dbraw/zinc/91/27/43/1137912743.db2.gz FKLCHXJDXYPAFL-KRWDZBQOSA-N 0 3 348.446 3.676 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000115678845 1137922932 /nfs/dbraw/zinc/92/29/32/1137922932.db2.gz SOTVYXSCPPTRKD-PKOBYXMFSA-N 0 3 341.499 3.615 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc(-n3cccn3)c2)c1 ZINC000133967439 1137929244 /nfs/dbraw/zinc/92/92/44/1137929244.db2.gz CRLXFLNHGPETRF-HXUWFJFHSA-N 0 3 346.434 3.843 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000332593542 1137948320 /nfs/dbraw/zinc/94/83/20/1137948320.db2.gz MMOJCMCEAHYQAN-UHFFFAOYSA-N 0 3 343.471 3.562 20 30 EHEDHN C[C@@H](Cn1cc(Br)cn1)N[C@@H](CCC#N)c1ccccc1 ZINC000090665305 1138212413 /nfs/dbraw/zinc/21/24/13/1138212413.db2.gz UYJPHUYRCVGQAM-BBRMVZONSA-N 0 3 347.260 3.669 20 30 EHEDHN C=CCOc1cccc(CN2CCC(C(=O)N(C)CCCC)CC2)c1 ZINC000123203452 1138267436 /nfs/dbraw/zinc/26/74/36/1138267436.db2.gz YGXDWRQWHCXNHF-UHFFFAOYSA-N 0 3 344.499 3.722 20 30 EHEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000134143383 1138674691 /nfs/dbraw/zinc/67/46/91/1138674691.db2.gz FMJQDGRBMCEHFY-YJBOKZPZSA-N 0 3 343.471 3.683 20 30 EHEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000134143595 1138674755 /nfs/dbraw/zinc/67/47/55/1138674755.db2.gz FMJQDGRBMCEHFY-QAPCUYQASA-N 0 3 343.471 3.683 20 30 EHEDHN CC[C@H]1Oc2cc([C@@H](C)NCc3cccc(C#N)c3)ccc2NC1=O ZINC000174139373 1139401168 /nfs/dbraw/zinc/40/11/68/1139401168.db2.gz QHOGYVLSNXZKLX-FZKQIMNGSA-N 0 3 335.407 3.519 20 30 EHEDHN CCOC[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177172476 1139600761 /nfs/dbraw/zinc/60/07/61/1139600761.db2.gz UQANKDRCDSRQQP-MRXNPFEDSA-N 0 3 325.374 3.805 20 30 EHEDHN N#Cc1ccc(-c2nnc(CN[C@@H](Cc3ccccc3)C3CC3)o2)cc1 ZINC000181549371 1139914959 /nfs/dbraw/zinc/91/49/59/1139914959.db2.gz UYOFXVYLOOYJFR-IBGZPJMESA-N 0 3 344.418 3.719 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2CSC)CC1 ZINC000184775236 1140120221 /nfs/dbraw/zinc/12/02/21/1140120221.db2.gz HGPQHDZDWWBJRT-UHFFFAOYSA-N 0 3 333.501 3.712 20 30 EHEDHN CC(C)(NC[C@H](O)c1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC000186881984 1140226413 /nfs/dbraw/zinc/22/64/13/1140226413.db2.gz PSHSNMGUSHFRCR-INIZCTEOSA-N 0 3 332.806 3.909 20 30 EHEDHN N#Cc1cc(CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000192055967 1140500281 /nfs/dbraw/zinc/50/02/81/1140500281.db2.gz LJQMMWDQBUWSCB-ROUUACIJSA-N 0 3 330.790 3.971 20 30 EHEDHN C#CC[C@H](NCCCS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000271693526 1141419892 /nfs/dbraw/zinc/41/98/92/1141419892.db2.gz KXOLQOHROCWQIU-FQEVSTJZSA-N 0 3 341.476 3.513 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN(Cc1ccco1)C(C)C ZINC000349027154 1141624760 /nfs/dbraw/zinc/62/47/60/1141624760.db2.gz MAEFTWDOIFGMAX-GOSISDBHSA-N 0 3 329.440 3.658 20 30 EHEDHN Cc1nc2c(n1[C@H]1CCN(Cc3ccc(F)c(C#N)c3)C1)CCCC2 ZINC000275352632 564008784 /nfs/dbraw/zinc/00/87/84/564008784.db2.gz UJQXQURAIQULSJ-KRWDZBQOSA-N 0 3 338.430 3.528 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)Cc1ccsc1 ZINC000823914770 946518929 /nfs/dbraw/zinc/51/89/29/946518929.db2.gz NAWVSSXMSQVFQN-CQSZACIVSA-N 0 3 339.468 3.547 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)Cc1ccsc1 ZINC000823914770 946518936 /nfs/dbraw/zinc/51/89/36/946518936.db2.gz NAWVSSXMSQVFQN-CQSZACIVSA-N 0 3 339.468 3.547 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)Cc1ccsc1 ZINC000823914770 946518945 /nfs/dbraw/zinc/51/89/45/946518945.db2.gz NAWVSSXMSQVFQN-CQSZACIVSA-N 0 3 339.468 3.547 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)Cc1ccsc1 ZINC000823914770 946518958 /nfs/dbraw/zinc/51/89/58/946518958.db2.gz NAWVSSXMSQVFQN-CQSZACIVSA-N 0 3 339.468 3.547 20 30 EHEDHN N#Cc1ccccc1CSCCNCc1ccnn1C1CCCC1 ZINC000449061059 1032104738 /nfs/dbraw/zinc/10/47/38/1032104738.db2.gz HLJXUVAZIWPXGZ-UHFFFAOYSA-N 0 3 340.496 3.893 20 30 EHEDHN C[C@@H]1C[C@@H](Nc2nc(Cl)c(C#N)s2)CN1Cc1ccccc1 ZINC000306689363 1015432009 /nfs/dbraw/zinc/43/20/09/1015432009.db2.gz OAHIZYSHIYOEJF-DGCLKSJQSA-N 0 3 332.860 3.743 20 30 EHEDHN Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1ccccc1C#N ZINC000339661135 1015483655 /nfs/dbraw/zinc/48/36/55/1015483655.db2.gz RXMSXDPZOIEFMD-LJQANCHMSA-N 0 3 330.435 3.881 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000535918507 1016566074 /nfs/dbraw/zinc/56/60/74/1016566074.db2.gz LZZZLBQIZFROGI-LJQANCHMSA-N 0 3 341.499 3.665 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000178554876 1016717827 /nfs/dbraw/zinc/71/78/27/1016717827.db2.gz BSFCPJZCJYERAW-IBGZPJMESA-N 0 3 348.450 3.653 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000178266912 1016921823 /nfs/dbraw/zinc/92/18/23/1016921823.db2.gz PKSAFXMJYNFGFH-CVEARBPZSA-N 0 3 337.419 3.882 20 30 EHEDHN N#Cc1sc(N[C@@H](CN2CCCC2)c2ccccc2)nc1Cl ZINC000278754544 1032375349 /nfs/dbraw/zinc/37/53/49/1032375349.db2.gz SGYCJQZBXCIDSP-ZDUSSCGKSA-N 0 3 332.860 3.917 20 30 EHEDHN N#Cc1cccc(COc2cccc(CN3C[C@@H]4C[C@H]3CS4)c2)c1 ZINC000459754282 1032449029 /nfs/dbraw/zinc/44/90/29/1032449029.db2.gz MLPNFGXLIGHWGY-ICSRJNTNSA-N 0 3 336.460 3.827 20 30 EHEDHN N#Cc1ccccc1COc1cccc(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000459772095 1032461299 /nfs/dbraw/zinc/46/12/99/1032461299.db2.gz UFWSODXBWXEOQL-ICSRJNTNSA-N 0 3 336.460 3.827 20 30 EHEDHN N#CC(C(=O)c1ccc2c(c1)CCO2)c1nc2cc(F)ccc2s1 ZINC000592973827 1032620234 /nfs/dbraw/zinc/62/02/34/1032620234.db2.gz ISVBBAZILILMRI-CYBMUJFWSA-N 0 3 338.363 3.860 20 30 EHEDHN C[C@@H](Cc1cc(Br)ccc1F)NCc1ccc(C#N)o1 ZINC000537317807 1032626487 /nfs/dbraw/zinc/62/64/87/1032626487.db2.gz LWYHDLDFKWCZMG-JTQLQIEISA-N 0 3 337.192 3.774 20 30 EHEDHN CCO[C@H]1CCN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H]1C ZINC000449503040 1032684142 /nfs/dbraw/zinc/68/41/42/1032684142.db2.gz XGZMGCOCNOZFGH-WMZOPIPTSA-N 0 3 346.471 3.625 20 30 EHEDHN C[C@@H](NCCSCc1ccccc1C#N)c1cn2ccccc2n1 ZINC000564672134 1017375203 /nfs/dbraw/zinc/37/52/03/1017375203.db2.gz QHRAGIDQJPMIFV-OAHLLOKOSA-N 0 3 336.464 3.790 20 30 EHEDHN C=C(C)COc1cc(CN2CCC(c3c[nH]cn3)CC2)ccc1OC ZINC000377231025 1017496125 /nfs/dbraw/zinc/49/61/25/1017496125.db2.gz HUTMFJSUELNRPK-UHFFFAOYSA-N 0 3 341.455 3.753 20 30 EHEDHN COc1cc(CNCc2cccc(-c3cccnc3)c2)ccc1C#N ZINC000375619121 1017643719 /nfs/dbraw/zinc/64/37/19/1017643719.db2.gz CQVNWOPDSKDKNX-UHFFFAOYSA-N 0 3 329.403 3.919 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2c3ccccc3CC23CCOCC3)cc1F ZINC000377649223 1018122056 /nfs/dbraw/zinc/12/20/56/1018122056.db2.gz VNYKEMKSYGIIIF-HXUWFJFHSA-N 0 3 336.410 3.881 20 30 EHEDHN CCOCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCCC1 ZINC000177698839 1018582383 /nfs/dbraw/zinc/58/23/83/1018582383.db2.gz WIKIRWLWIFGKQL-CQSZACIVSA-N 0 3 326.396 3.991 20 30 EHEDHN CCCc1nnc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000050027515 1018780313 /nfs/dbraw/zinc/78/03/13/1018780313.db2.gz BATAUDJSZZVJKY-HNNXBMFYSA-N 0 3 344.484 3.991 20 30 EHEDHN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C[C@@H](C)CCC#N ZINC000602434046 1032887061 /nfs/dbraw/zinc/88/70/61/1032887061.db2.gz PFHAJTQWHPRIKZ-LBPRGKRZSA-N 0 3 341.377 3.694 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1-c1cccc(C)c1 ZINC000760356557 1032896108 /nfs/dbraw/zinc/89/61/08/1032896108.db2.gz IIEUEEAKQZDZPG-SFHVURJKSA-N 0 3 330.391 3.683 20 30 EHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CSCCC(C)C ZINC000121316909 1020812920 /nfs/dbraw/zinc/81/29/20/1020812920.db2.gz ZZZMAJLYHGWLPB-AWEZNQCLSA-N 0 3 348.468 3.512 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000664875324 1021407680 /nfs/dbraw/zinc/40/76/80/1021407680.db2.gz GCKWITVVOQSNGA-MWDXBVQZSA-N 0 3 331.460 3.601 20 30 EHEDHN CC(C)c1ccc2c(c1)[C@H](NCc1cnc3c(C#N)cnn3c1)CCC2 ZINC000592508393 1032980064 /nfs/dbraw/zinc/98/00/64/1032980064.db2.gz XYISOFSQSRKCOC-HXUWFJFHSA-N 0 3 345.450 3.892 20 30 EHEDHN CC(C)(CNC(=O)[C@H](N)CCCCC#N)c1ccc2ccccc2c1 ZINC000602571171 1032981322 /nfs/dbraw/zinc/98/13/22/1032981322.db2.gz FLHKNPZWDDCZKW-LJQANCHMSA-N 0 3 337.467 3.645 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000440644828 1021686448 /nfs/dbraw/zinc/68/64/48/1021686448.db2.gz LDXPGJBELHJJBN-NQIIRXRSSA-N 0 3 341.499 3.734 20 30 EHEDHN C=CCOc1ccc(CNCc2[nH]cc(C(=O)OC)c2C2CC2)cc1 ZINC000894388275 1021707412 /nfs/dbraw/zinc/70/74/12/1021707412.db2.gz AVMZAFZHZCCPQY-UHFFFAOYSA-N 0 3 340.423 3.533 20 30 EHEDHN CC[C@@](C)(C#N)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894987706 1022358445 /nfs/dbraw/zinc/35/84/45/1022358445.db2.gz XBULAYOHQGJROR-HNNXBMFYSA-N 0 3 327.350 3.645 20 30 EHEDHN N#Cc1cccc(OCCCN2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000178294294 1022454163 /nfs/dbraw/zinc/45/41/63/1022454163.db2.gz UNGXSOJWOVVDCG-UHFFFAOYSA-N 0 3 348.446 3.922 20 30 EHEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051322593 1022487941 /nfs/dbraw/zinc/48/79/41/1022487941.db2.gz XJAUNDGLSUSJFP-QGZVFWFLSA-N 0 3 334.341 3.742 20 30 EHEDHN C=CCN(C)CCN(CC)C(=O)c1sc2ncccc2c1Cl ZINC001626751113 1022551661 /nfs/dbraw/zinc/55/16/61/1022551661.db2.gz TZBVRNLOQSDFBB-UHFFFAOYSA-N 0 3 337.876 3.530 20 30 EHEDHN CC1(C)CCCN(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000331305430 1022793770 /nfs/dbraw/zinc/79/37/70/1022793770.db2.gz UUDQPBHDEHGTKU-UHFFFAOYSA-N 0 3 339.823 3.675 20 30 EHEDHN Cc1cccc(C2(NCC(=O)Nc3cccc(C#N)c3)CCCC2)c1 ZINC000506448230 1023165823 /nfs/dbraw/zinc/16/58/23/1023165823.db2.gz RHFYHMHYIJANIA-UHFFFAOYSA-N 0 3 333.435 3.864 20 30 EHEDHN C=C(C)C(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001142512195 1033119420 /nfs/dbraw/zinc/11/94/20/1033119420.db2.gz NOIAROYCZJUFHZ-NRFANRHFSA-N 0 3 334.463 3.866 20 30 EHEDHN CCOc1ccc(O)c(/C=N/C[C@@H](c2cccc(OC)c2)N(C)C)c1 ZINC000022769141 1023626158 /nfs/dbraw/zinc/62/61/58/1023626158.db2.gz VBGANOWRPXKRSC-IOVUBPJKSA-N 0 3 342.439 3.521 20 30 EHEDHN C=CCC[C@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccccc1 ZINC000341946709 1023713859 /nfs/dbraw/zinc/71/38/59/1023713859.db2.gz QPFTXGQRJCBKMF-IBGZPJMESA-N 0 3 344.405 3.878 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC1 ZINC000181034252 1023792777 /nfs/dbraw/zinc/79/27/77/1023792777.db2.gz ITYWEVHFEHXYFD-CQSZACIVSA-N 0 3 349.441 3.693 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000610859330 1023799296 /nfs/dbraw/zinc/79/92/96/1023799296.db2.gz PYOQPYBEXCTMHX-UHFFFAOYSA-N 0 3 330.435 3.963 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ncc(Br)s1 ZINC000280819021 1023960741 /nfs/dbraw/zinc/96/07/41/1023960741.db2.gz NATGFAAIJFBZBP-FOGDFJRCSA-N 0 3 331.279 3.537 20 30 EHEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434355780 1023973475 /nfs/dbraw/zinc/97/34/75/1023973475.db2.gz QHKBJPJDFKBGIK-SFHVURJKSA-N 0 3 345.462 3.540 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000346062794 1024080713 /nfs/dbraw/zinc/08/07/13/1024080713.db2.gz HGIIUVYANDQECU-KBPBESRZSA-N 0 3 335.386 3.690 20 30 EHEDHN Cc1cc(CN[C@@H](c2cccs2)C2(CO)CCC2)ccc1C#N ZINC000449767249 1033181990 /nfs/dbraw/zinc/18/19/90/1033181990.db2.gz PRWZVXCXKIZHCI-SFHVURJKSA-N 0 3 326.465 3.922 20 30 EHEDHN CCO[C@H](C)c1ncc(C(=O)N[C@H]2CCN(C3CCCC3)C2)s1 ZINC000329802768 1024201475 /nfs/dbraw/zinc/20/14/75/1024201475.db2.gz JLOVXXLXGKOPRD-OLZOCXBDSA-N 0 3 337.489 3.562 20 30 EHEDHN COCc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)ccc1F ZINC000237201370 1024211533 /nfs/dbraw/zinc/21/15/33/1024211533.db2.gz GPFLQSGNEXVORJ-AWEZNQCLSA-N 0 3 328.387 3.553 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cn(CC(C)C)c3ccccc23)CC1 ZINC000520687710 1024428966 /nfs/dbraw/zinc/42/89/66/1024428966.db2.gz QWEUIEPVBJSSDV-UHFFFAOYSA-N 0 3 339.483 3.678 20 30 EHEDHN CCCN(Cc1cn(-c2ccncc2)nc1C)Cc1ccc(C#N)cc1 ZINC000346129078 1024430752 /nfs/dbraw/zinc/43/07/52/1024430752.db2.gz FVMALRSAIHSMCU-UHFFFAOYSA-N 0 3 345.450 3.860 20 30 EHEDHN C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)c1ccc(C#N)c(F)c1 ZINC000346163798 1024478569 /nfs/dbraw/zinc/47/85/69/1024478569.db2.gz DAAQCYVVYMCXDM-CQSZACIVSA-N 0 3 334.398 3.949 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ncc(Br)cc1F ZINC000280956821 1024489044 /nfs/dbraw/zinc/48/90/44/1024489044.db2.gz YGZYYBWCPYKANS-ZETOZRRWSA-N 0 3 343.240 3.615 20 30 EHEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000434901788 1024492813 /nfs/dbraw/zinc/49/28/13/1024492813.db2.gz ZEVLLDMHFCDEIL-TYCQWZJGSA-N 0 3 345.446 3.542 20 30 EHEDHN C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000434905936 1024496828 /nfs/dbraw/zinc/49/68/28/1024496828.db2.gz SIIZMSXAWWWDHJ-IEBWSBKVSA-N 0 3 339.483 3.549 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000293043843 1024520545 /nfs/dbraw/zinc/52/05/45/1024520545.db2.gz KCKMMLYRSCRZAM-UHFFFAOYSA-N 0 3 345.245 3.903 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000514529309 1024539842 /nfs/dbraw/zinc/53/98/42/1024539842.db2.gz TVFBCJIVAWDKPS-ZIAGYGMSSA-N 0 3 338.398 3.528 20 30 EHEDHN CCN(CC)C(=O)C1(NCc2cc(Cl)cc(C#N)c2)CCCCC1 ZINC001168008515 1024613431 /nfs/dbraw/zinc/61/34/31/1024613431.db2.gz KCVDJZPYWOYFPY-UHFFFAOYSA-N 0 3 347.890 3.873 20 30 EHEDHN C[C@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)NC1(C#N)CCC1 ZINC000346488654 1024797617 /nfs/dbraw/zinc/79/76/17/1024797617.db2.gz HOPIGYYNMKVYJF-STQMWFEESA-N 0 3 327.453 3.503 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3cncc(Cl)c3)CC2)cc1 ZINC000895881653 1024929741 /nfs/dbraw/zinc/92/97/41/1024929741.db2.gz ZUYSMTPSXJFDRN-UHFFFAOYSA-N 0 3 326.831 3.683 20 30 EHEDHN CCO[C@]12CCC[C@@]1(NCc1ccc(C(C)(C)C#N)cc1)CCO2 ZINC000897974342 1033247743 /nfs/dbraw/zinc/24/77/43/1033247743.db2.gz HIKZJLLDBJCESI-UXHICEINSA-N 0 3 328.456 3.653 20 30 EHEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000281370167 1024978102 /nfs/dbraw/zinc/97/81/02/1024978102.db2.gz OKAHRUUWNHNMCQ-NSHDSACASA-N 0 3 347.406 3.913 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000539281073 1025036484 /nfs/dbraw/zinc/03/64/84/1025036484.db2.gz RVBSSLTXEPEWLW-QFIPXVFZSA-N 0 3 349.478 3.942 20 30 EHEDHN C=CCN1CCC(NC(=O)CCCc2ccc(C3CC3)cc2)CC1 ZINC000896208586 1025247997 /nfs/dbraw/zinc/24/79/97/1025247997.db2.gz JIYCJICAZPFHTR-UHFFFAOYSA-N 0 3 326.484 3.653 20 30 EHEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000442787195 1025478042 /nfs/dbraw/zinc/47/80/42/1025478042.db2.gz VEWJDVSMLGHXJU-CRAIPNDOSA-N 0 3 325.456 3.987 20 30 EHEDHN COc1ccc(C2CCN(Cc3ccc(C#N)c(OC)c3)CC2)cc1 ZINC000442877739 1025556725 /nfs/dbraw/zinc/55/67/25/1025556725.db2.gz BFVPERHFIDZACS-UHFFFAOYSA-N 0 3 336.435 3.955 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000442881911 1025562142 /nfs/dbraw/zinc/56/21/42/1025562142.db2.gz OOAICRWQQREZBU-MRXNPFEDSA-N 0 3 338.426 3.828 20 30 EHEDHN C=CCN(CCC(=O)Nc1cccc(F)c1)Cc1ccc(OC)cc1 ZINC000515782100 1025594480 /nfs/dbraw/zinc/59/44/80/1025594480.db2.gz SVQBOIOOJNVFQE-UHFFFAOYSA-N 0 3 342.414 3.851 20 30 EHEDHN N#Cc1cc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cs1 ZINC000892225122 1025633321 /nfs/dbraw/zinc/63/33/21/1025633321.db2.gz MTAGWWOGBANNIM-AEFFLSMTSA-N 0 3 330.428 3.847 20 30 EHEDHN C=CCCn1cc(CNCCCc2ccc(Cl)cc2Cl)nn1 ZINC000657383362 1025749973 /nfs/dbraw/zinc/74/99/73/1025749973.db2.gz NQZAIHPBFVVOIT-UHFFFAOYSA-N 0 3 339.270 3.883 20 30 EHEDHN N#Cc1ccccc1N1CCCN(c2ccnc3ccccc32)CC1 ZINC000521972904 1025847326 /nfs/dbraw/zinc/84/73/26/1025847326.db2.gz SLDYRRJQBRGRJL-UHFFFAOYSA-N 0 3 328.419 3.823 20 30 EHEDHN CC(C)(C)c1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051652975 1026133749 /nfs/dbraw/zinc/13/37/49/1026133749.db2.gz OPBBRMFMMQNUFN-SFHVURJKSA-N 0 3 340.467 3.684 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(SC)cc2OC)CC1 ZINC000192656054 1026319080 /nfs/dbraw/zinc/31/90/80/1026319080.db2.gz PVQULFFXGMQFJB-UHFFFAOYSA-N 0 3 349.500 3.579 20 30 EHEDHN CC(C)[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000444751260 1028239809 /nfs/dbraw/zinc/23/98/09/1028239809.db2.gz CQPASTUSZQRUCG-SJORKVTESA-N 0 3 345.462 3.829 20 30 EHEDHN N#Cc1ccc([C@H](NCC2(c3ccccc3)CCCCC2)C(N)=O)cc1 ZINC000523735126 1028579808 /nfs/dbraw/zinc/57/98/08/1028579808.db2.gz YDIHMFYJAZCNNR-FQEVSTJZSA-N 0 3 347.462 3.576 20 30 EHEDHN N#CCCCOc1cccc(CNCc2ccccc2-n2cccn2)c1 ZINC000237823549 1028666906 /nfs/dbraw/zinc/66/69/06/1028666906.db2.gz GVVYLRMONPPSOP-UHFFFAOYSA-N 0 3 346.434 3.845 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(OCCCC#N)c1)N1[C@H](C)CC[C@H]1C ZINC000245201134 1028697396 /nfs/dbraw/zinc/69/73/96/1028697396.db2.gz FXAKCABYYHQNMY-BZUAXINKSA-N 0 3 329.444 3.569 20 30 EHEDHN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1 ZINC000424085518 1028789162 /nfs/dbraw/zinc/78/91/62/1028789162.db2.gz FXASZUZGUGWKDW-MSOLQXFVSA-N 0 3 327.472 3.669 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000424090103 1028795281 /nfs/dbraw/zinc/79/52/81/1028795281.db2.gz JYOLNQCSPSSOLD-QZTJIDSGSA-N 0 3 341.842 3.567 20 30 EHEDHN N#CCCC[C@H](N)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000424114559 1028809424 /nfs/dbraw/zinc/80/94/24/1028809424.db2.gz RKRYKHSQOAAXBU-SFHVURJKSA-N 0 3 341.842 3.644 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](c2ccccc2)CC1 ZINC000524071138 1028811142 /nfs/dbraw/zinc/81/11/42/1028811142.db2.gz MFIGKGHBCZQBHO-YFVAEKQCSA-N 0 3 341.499 3.699 20 30 EHEDHN CC(C)(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424134202 1028848590 /nfs/dbraw/zinc/84/85/90/1028848590.db2.gz YBPKJAFMXUNPQB-JKSUJKDBSA-N 0 3 335.879 3.955 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC[C@]2(C)C[C@H]2c2ccccc2)CC1 ZINC000454458208 1028926215 /nfs/dbraw/zinc/92/62/15/1028926215.db2.gz GAZWSAVXMBYPRZ-FPOVZHCZSA-N 0 3 341.499 3.520 20 30 EHEDHN C=CCn1cc(CN[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)nn1 ZINC000424294879 1028936019 /nfs/dbraw/zinc/93/60/19/1028936019.db2.gz LNJWPYCGKXKCRR-WBVHZDCISA-N 0 3 330.863 3.934 20 30 EHEDHN COc1ccc([C@H](C)CN2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000367244173 1029080221 /nfs/dbraw/zinc/08/02/21/1029080221.db2.gz OSFQVMSUOYZLNM-QGZVFWFLSA-N 0 3 335.451 3.751 20 30 EHEDHN C[C@@H](NCCCC#N)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271769448 1029162067 /nfs/dbraw/zinc/16/20/67/1029162067.db2.gz NOISRWZZLJVESP-OAHLLOKOSA-N 0 3 339.414 3.961 20 30 EHEDHN CC[C@H](CN(CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000481768051 1029935417 /nfs/dbraw/zinc/93/54/17/1029935417.db2.gz PDOBKEPZRRBQOA-OPYAIIAOSA-N 0 3 343.515 3.945 20 30 EHEDHN CCCCN(CC(=O)NC1(C#N)CCC1)[C@H](CC)c1ccccc1 ZINC000525886568 1030204876 /nfs/dbraw/zinc/20/48/76/1030204876.db2.gz WYAVXCHYMGAOMN-GOSISDBHSA-N 0 3 327.472 3.802 20 30 EHEDHN C=CCOc1ccc(CN2CCC(OCC(C)C)CC2)cc1OC ZINC000092223214 1030407881 /nfs/dbraw/zinc/40/78/81/1030407881.db2.gz RDIPPLVTRFRIAI-UHFFFAOYSA-N 0 3 333.472 3.897 20 30 EHEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@H]2c2ccccc2)c1C#N ZINC000526087636 1030411179 /nfs/dbraw/zinc/41/11/79/1030411179.db2.gz VRILSFXZBDEETF-FXAWDEMLSA-N 0 3 334.419 3.771 20 30 EHEDHN C=CCN1CCC(NC(=O)c2sc3ccc(F)cc3c2C)CC1 ZINC000171715459 1030810279 /nfs/dbraw/zinc/81/02/79/1030810279.db2.gz XNMFROFWPFXCJM-UHFFFAOYSA-N 0 3 332.444 3.729 20 30 EHEDHN C=CCOc1c(Cl)cc(CN(C)[C@H]2CCSC2)cc1OC ZINC000628132152 1030907091 /nfs/dbraw/zinc/90/70/91/1030907091.db2.gz XMMULRDHCZDSFE-ZDUSSCGKSA-N 0 3 327.877 3.851 20 30 EHEDHN C=CCCC(C)(C)[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000657805086 1031092454 /nfs/dbraw/zinc/09/24/54/1031092454.db2.gz JPEAPSUROQNKLT-UHFFFAOYSA-N 0 3 328.250 3.998 20 30 EHEDHN CC1(C)CN(CCOc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000484362275 1031547124 /nfs/dbraw/zinc/54/71/24/1031547124.db2.gz SHTRCQAGHJKFBL-HNNXBMFYSA-N 0 3 326.362 3.847 20 30 EHEDHN CN(C)C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528011641 1031590776 /nfs/dbraw/zinc/59/07/76/1031590776.db2.gz PXCZRGNGCTUOJC-RBOXIYTFSA-N 0 3 326.271 3.878 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)C1 ZINC000455911043 1031955369 /nfs/dbraw/zinc/95/53/69/1031955369.db2.gz DHWORBZYCAHARL-OXQOHEQNSA-N 0 3 348.450 3.710 20 30 EHEDHN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H](N)CCCCC#N ZINC000594432568 1033369898 /nfs/dbraw/zinc/36/98/98/1033369898.db2.gz DEBIRJWDLCKKJE-LPHOPBHVSA-N 0 3 327.472 3.788 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000594432544 1033370074 /nfs/dbraw/zinc/37/00/74/1033370074.db2.gz CPSKKXAAPBGGSN-SFTDATJTSA-N 0 3 349.478 3.540 20 30 EHEDHN CC(C)(C)Cc1nc2cc(NC(=O)[C@H](N)CCCCC#N)ccc2o1 ZINC000594433142 1033370572 /nfs/dbraw/zinc/37/05/72/1033370572.db2.gz CHIDOKBUOQQYFL-CQSZACIVSA-N 0 3 342.443 3.766 20 30 EHEDHN Cc1cccc([C@H]2CCCCN2C(=O)[C@H](N)CCCCC#N)c1C ZINC000594433784 1033370833 /nfs/dbraw/zinc/37/08/33/1033370833.db2.gz SOVJXIYFXBPPKC-RTBURBONSA-N 0 3 327.472 3.768 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000594446530 1033378262 /nfs/dbraw/zinc/37/82/62/1033378262.db2.gz UWQVQDYMDPYEKA-SFHVURJKSA-N 0 3 349.425 3.647 20 30 EHEDHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1Oc1ccncc1 ZINC000594443377 1033378980 /nfs/dbraw/zinc/37/89/80/1033378980.db2.gz PELJVLDICXLAQH-QGZVFWFLSA-N 0 3 338.411 3.532 20 30 EHEDHN Cc1ccc(-c2cccc(CNC(=O)[C@H](N)CCCCC#N)c2)cc1 ZINC000594445299 1033379408 /nfs/dbraw/zinc/37/94/08/1033379408.db2.gz CUAZIBSHXQIJNX-HXUWFJFHSA-N 0 3 335.451 3.690 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000594457225 1033380839 /nfs/dbraw/zinc/38/08/39/1033380839.db2.gz WSNTYSNDEQVRQC-LJQANCHMSA-N 0 3 333.435 3.654 20 30 EHEDHN CC(C)COc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1Cl ZINC000594427984 1033389040 /nfs/dbraw/zinc/38/90/40/1033389040.db2.gz KCYVWIAAZWKOIV-OAHLLOKOSA-N 0 3 337.851 3.725 20 30 EHEDHN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](N)CCCCC#N ZINC000594426990 1033389380 /nfs/dbraw/zinc/38/93/80/1033389380.db2.gz GTPGALHQKSYQIX-HNNXBMFYSA-N 0 3 342.270 3.753 20 30 EHEDHN CCOc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1OC ZINC000594915627 1033543932 /nfs/dbraw/zinc/54/39/32/1033543932.db2.gz VHLZOTIXDDZVEO-UHFFFAOYSA-N 0 3 336.435 3.939 20 30 EHEDHN C=CCCSCC[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000594959905 1033601005 /nfs/dbraw/zinc/60/10/05/1033601005.db2.gz FJAIPUGFXOWKTD-UHFFFAOYSA-N 0 3 346.290 3.562 20 30 EHEDHN C[C@@](C#N)(NC(=O)c1cccc(CN2CCCC2)c1)C1CCCCC1 ZINC000575016016 1033761485 /nfs/dbraw/zinc/76/14/85/1033761485.db2.gz BVNWOZUJLNKQFL-NRFANRHFSA-N 0 3 339.483 3.875 20 30 EHEDHN N#Cc1ccc(CCN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000595549463 1033855947 /nfs/dbraw/zinc/85/59/47/1033855947.db2.gz JZQVNWGSGKZBMW-RTBURBONSA-N 0 3 326.827 3.562 20 30 EHEDHN N#CC1(C[C@@H](O)CNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000599345980 1033877911 /nfs/dbraw/zinc/87/79/11/1033877911.db2.gz FRMGLKOTBJRJFC-GOSISDBHSA-N 0 3 342.389 3.699 20 30 EHEDHN Cc1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1C#N ZINC000599435710 1033937578 /nfs/dbraw/zinc/93/75/78/1033937578.db2.gz ZTWIMNTZVYISRJ-GOSISDBHSA-N 0 3 326.465 3.922 20 30 EHEDHN N#Cc1ccc(CN2CCCN(c3nccc4sccc43)CC2)cc1 ZINC000603845308 1033970035 /nfs/dbraw/zinc/97/00/35/1033970035.db2.gz GOTGFFDETGIPLE-UHFFFAOYSA-N 0 3 348.475 3.880 20 30 EHEDHN COc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)c2ccccc2n1 ZINC000174582384 1033984292 /nfs/dbraw/zinc/98/42/92/1033984292.db2.gz CQTGAKDXMUNOJZ-OAHLLOKOSA-N 0 3 347.418 3.824 20 30 EHEDHN Cc1cccc([C@@H](NCC(=O)NC2(C#N)CCCCC2)C(C)C)c1 ZINC000599626805 1034050926 /nfs/dbraw/zinc/05/09/26/1034050926.db2.gz HKDBFDBIZJBBIY-IBGZPJMESA-N 0 3 327.472 3.624 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)CC1 ZINC000119006601 1034052880 /nfs/dbraw/zinc/05/28/80/1034052880.db2.gz NNFZIXMNZGGJCW-GOSISDBHSA-N 0 3 348.437 3.513 20 30 EHEDHN N#CC(C(=O)c1ccc(Cn2cccn2)cc1)c1nc(C2CC2)cs1 ZINC000647375470 1034072949 /nfs/dbraw/zinc/07/29/49/1034072949.db2.gz ZTZMTZXQWRCADK-INIZCTEOSA-N 0 3 348.431 3.755 20 30 EHEDHN C=CCN(CCC(=O)NCC1CCCCC1)Cc1ccc(OC)cc1 ZINC000596198652 1034109904 /nfs/dbraw/zinc/10/99/04/1034109904.db2.gz WZWDKNWJITZLDI-UHFFFAOYSA-N 0 3 344.499 3.770 20 30 EHEDHN COC(=O)C(C)(C)[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000612118944 1034138264 /nfs/dbraw/zinc/13/82/64/1034138264.db2.gz STIGLZNAUUJPMM-LJQANCHMSA-N 0 3 336.435 3.783 20 30 EHEDHN Cc1csc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1C#N ZINC000593159779 1034143684 /nfs/dbraw/zinc/14/36/84/1034143684.db2.gz QZQVWKYEDSPQAU-KOLCDFICSA-N 0 3 332.347 3.614 20 30 EHEDHN Cc1csc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1C#N ZINC000593159770 1034144199 /nfs/dbraw/zinc/14/41/99/1034144199.db2.gz QZQVWKYEDSPQAU-GXSJLCMTSA-N 0 3 332.347 3.614 20 30 EHEDHN C=CCOc1ccccc1CN1CCC(c2nnc3ccccn32)CC1 ZINC000120906987 1034252055 /nfs/dbraw/zinc/25/20/55/1034252055.db2.gz DWHIYPZINVWIAB-UHFFFAOYSA-N 0 3 348.450 3.674 20 30 EHEDHN Cc1ccc(CNCc2ccc(OCC#N)cc2)cc1Br ZINC000179417958 1034294268 /nfs/dbraw/zinc/29/42/68/1034294268.db2.gz YCKLNPITGKGWNY-UHFFFAOYSA-N 0 3 345.240 3.950 20 30 EHEDHN C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)CC(C)(C)C ZINC000604482229 1034388715 /nfs/dbraw/zinc/38/87/15/1034388715.db2.gz NITOAGMMQXGPSM-QGZVFWFLSA-N 0 3 343.515 3.911 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(N(C)CCCC)cc2)CC1 ZINC000171541810 1034446508 /nfs/dbraw/zinc/44/65/08/1034446508.db2.gz JORGPEVFOFYOGR-UHFFFAOYSA-N 0 3 344.503 3.695 20 30 EHEDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000171562937 1034462696 /nfs/dbraw/zinc/46/26/96/1034462696.db2.gz AIPZBGQYKVBXOK-LSDHHAIUSA-N 0 3 337.423 3.787 20 30 EHEDHN C[C@H](CC#N)C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000597303789 1034667972 /nfs/dbraw/zinc/66/79/72/1034667972.db2.gz KMYICEGDNLAPSM-GOSISDBHSA-N 0 3 339.483 3.583 20 30 EHEDHN N#CC(C(=O)CC[C@@H]1CCc2ccccc21)C(=O)NCc1ccccc1 ZINC000892485285 1034778631 /nfs/dbraw/zinc/77/86/31/1034778631.db2.gz WYFVDVWFJOICJJ-AZUAARDMSA-N 0 3 346.430 3.522 20 30 EHEDHN C=CCCCN(C)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000605742881 1034821461 /nfs/dbraw/zinc/82/14/61/1034821461.db2.gz LAJIYLHDDTXOEM-UHFFFAOYSA-N 0 3 332.463 3.652 20 30 EHEDHN CC1(C)CC[C@H](CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)OC1 ZINC000892489502 1034841085 /nfs/dbraw/zinc/84/10/85/1034841085.db2.gz KYCFHBJRYGZULB-OLZOCXBDSA-N 0 3 348.830 3.583 20 30 EHEDHN C=CCNC(=O)CN(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540671204 1035543352 /nfs/dbraw/zinc/54/33/52/1035543352.db2.gz WMBKILLYDSDZFS-CVEARBPZSA-N 0 3 340.389 3.576 20 30 EHEDHN Cc1ccnc(NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1C#N ZINC000340923680 1035770637 /nfs/dbraw/zinc/77/06/37/1035770637.db2.gz WKAFLLHCEDTEQR-LJQANCHMSA-N 0 3 338.455 3.764 20 30 EHEDHN N#Cc1ccc(CN(Cc2ccc(-n3ccnc3)cc2)C2CC2)cc1 ZINC000170644003 1036057038 /nfs/dbraw/zinc/05/70/38/1036057038.db2.gz GZYLMIUYXMMDSL-UHFFFAOYSA-N 0 3 328.419 3.909 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(OC(C)C)cc2Cl)CC1 ZINC000457536496 1036232772 /nfs/dbraw/zinc/23/27/72/1036232772.db2.gz DTQQWJQGTIUDQG-UHFFFAOYSA-N 0 3 336.863 3.507 20 30 EHEDHN N#CC(C(=O)c1ccc(C2(C#N)CC2)cc1)c1cnc2ccccc2n1 ZINC000190944920 1036305978 /nfs/dbraw/zinc/30/59/78/1036305978.db2.gz XBDFHLKOOMSMSR-MRXNPFEDSA-N 0 3 338.370 3.675 20 30 EHEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(F)cc1F ZINC000152291398 1036332522 /nfs/dbraw/zinc/33/25/22/1036332522.db2.gz NJTZGAYIJLAKPS-BLLLJJGKSA-N 0 3 348.393 3.616 20 30 EHEDHN CC(C)(C)SCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130208907 1036440568 /nfs/dbraw/zinc/44/05/68/1036440568.db2.gz XWDDVTWPWGAVIT-JTQLQIEISA-N 0 3 342.823 3.658 20 30 EHEDHN COc1ccc(C)cc1[C@H](C)NCCC(=O)Nc1sccc1C#N ZINC000102692402 1036520863 /nfs/dbraw/zinc/52/08/63/1036520863.db2.gz PVSJEEYUBCKLQW-ZDUSSCGKSA-N 0 3 343.452 3.616 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cc3ccccc3s2)CC1 ZINC000171550173 1036615957 /nfs/dbraw/zinc/61/59/57/1036615957.db2.gz ZUAFEUICPYTIHW-AWEZNQCLSA-N 0 3 343.496 3.912 20 30 EHEDHN C=CCCCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000584416023 1036637532 /nfs/dbraw/zinc/63/75/32/1036637532.db2.gz IFMMTXHKSCNZAB-KRWDZBQOSA-N 0 3 336.426 3.616 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000589949363 1036674491 /nfs/dbraw/zinc/67/44/91/1036674491.db2.gz MMFPJNPDEPEVBQ-CYBMUJFWSA-N 0 3 341.842 3.764 20 30 EHEDHN Cc1cc([C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2CC2)ccc1F ZINC000539424568 1036747329 /nfs/dbraw/zinc/74/73/29/1036747329.db2.gz OMZVGRPFJPFPFE-QMIHWGKISA-N 0 3 345.462 3.618 20 30 EHEDHN Cc1ccccc1[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000539493516 1036801071 /nfs/dbraw/zinc/80/10/71/1036801071.db2.gz MYASYFKXEFPLDV-FQEVSTJZSA-N 0 3 339.483 3.721 20 30 EHEDHN C=C(C)CNC(=S)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000057765587 1037126430 /nfs/dbraw/zinc/12/64/30/1037126430.db2.gz BIGUMODFQAMJAV-HNNXBMFYSA-N 0 3 337.558 3.561 20 30 EHEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(F)c1 ZINC000045697462 1037166704 /nfs/dbraw/zinc/16/67/04/1037166704.db2.gz FQMGFKLDCLYUJY-UHFFFAOYSA-N 0 3 345.805 3.811 20 30 EHEDHN Cc1c(Cl)cnc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1C#N ZINC000542207951 1037180619 /nfs/dbraw/zinc/18/06/19/1037180619.db2.gz JVDSESNZAQYSGL-DLBZAZTESA-N 0 3 326.831 3.772 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C2CCC2)C1 ZINC000591062108 1037222864 /nfs/dbraw/zinc/22/28/64/1037222864.db2.gz VYKCWQJUPGURIA-RDJZCZTQSA-N 0 3 343.446 3.583 20 30 EHEDHN C=CCN1CC[C@@H](N2CCc3ccccc3[C@H]2Cc2ccccc2)C1=O ZINC001168207861 1037598956 /nfs/dbraw/zinc/59/89/56/1037598956.db2.gz FTLXFSANSZUSCI-FGZHOGPDSA-N 0 3 346.474 3.615 20 30 EHEDHN C[C@@H]1C[C@H](c2ccccc2)CN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000532576070 1037684381 /nfs/dbraw/zinc/68/43/81/1037684381.db2.gz HNUZKSXXHSLZMV-LKUPVBHCSA-N 0 3 345.446 3.542 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000540343264 1037847790 /nfs/dbraw/zinc/84/77/90/1037847790.db2.gz XZLLMIZKKGVTKT-QYWGDWMGSA-N 0 3 337.467 3.933 20 30 EHEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cc4ccccc4s3)C2)nc1 ZINC000428807188 1037877764 /nfs/dbraw/zinc/87/77/64/1037877764.db2.gz QKXSMKGBUNGZBN-MRXNPFEDSA-N 0 3 335.432 3.821 20 30 EHEDHN C[C@H]1CC2(CN1Cc1ccc(C#N)cc1OC(F)F)CCOCC2 ZINC000592182713 1037910495 /nfs/dbraw/zinc/91/04/95/1037910495.db2.gz PZSKHZMJVSJTDP-ZDUSSCGKSA-N 0 3 336.382 3.551 20 30 EHEDHN N#CC(C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1ccccn1 ZINC000041481457 1038227462 /nfs/dbraw/zinc/22/74/62/1038227462.db2.gz WNHFHSBAYRZPNM-INIZCTEOSA-N 0 3 328.375 3.635 20 30 EHEDHN COC(=O)c1cccc(CN[C@H](C)C(C)(C)c2ccccc2)c1C#N ZINC000539254537 1038744514 /nfs/dbraw/zinc/74/45/14/1038744514.db2.gz AKSGMDWBNWAHMN-OAHLLOKOSA-N 0 3 336.435 3.801 20 30 EHEDHN CC(C)(C)C[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000539253208 1038745040 /nfs/dbraw/zinc/74/50/40/1038745040.db2.gz UTQMSTZRHNJKLE-FQEVSTJZSA-N 0 3 349.478 3.942 20 30 EHEDHN Cc1ccccc1[C@@H](NCC(=O)NCc1cccc(C#N)c1)C(C)(C)C ZINC000539359483 1038846279 /nfs/dbraw/zinc/84/62/79/1038846279.db2.gz LRIUUNOVPJHKRP-OAQYLSRUSA-N 0 3 349.478 3.860 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000041515545 1038961651 /nfs/dbraw/zinc/96/16/51/1038961651.db2.gz BXBOPLVQMIPADY-GFCCVEGCSA-N 0 3 340.326 3.883 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](c2ccccc2)C2CC2)CC1 ZINC000431926403 1039483003 /nfs/dbraw/zinc/48/30/03/1039483003.db2.gz PPHKMVPDCNXSAD-FQEVSTJZSA-N 0 3 341.499 3.520 20 30 EHEDHN Cc1cccc2c1ncc(C)c2N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000488972693 1039519345 /nfs/dbraw/zinc/51/93/45/1039519345.db2.gz DWKFGWKBBYPFBL-QGZVFWFLSA-N 0 3 344.418 3.776 20 30 EHEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000912102336 1039685286 /nfs/dbraw/zinc/68/52/86/1039685286.db2.gz KCMOPOHWMFKAAC-RDJZCZTQSA-N 0 3 332.444 3.776 20 30 EHEDHN C[C@@H](CN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000489206310 1039728010 /nfs/dbraw/zinc/72/80/10/1039728010.db2.gz OJYYLKQBGMMMQP-LAUBAEHRSA-N 0 3 347.462 3.789 20 30 EHEDHN N#Cc1cccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000043329927 1039769827 /nfs/dbraw/zinc/76/98/27/1039769827.db2.gz ZVLINRNKGXPKDX-MRXNPFEDSA-N 0 3 340.452 3.578 20 30 EHEDHN C[C@H](c1ccccc1)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CCCC1 ZINC000554851312 1039835995 /nfs/dbraw/zinc/83/59/95/1039835995.db2.gz GODCCTOUIMQLMF-IIBYNOLFSA-N 0 3 339.483 3.801 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)c1c(C)cc(C#N)cc1C)c1ccco1 ZINC000899075928 1039996233 /nfs/dbraw/zinc/99/62/33/1039996233.db2.gz IFYTWWIGYZWNQS-DOTOQJQBSA-N 0 3 339.439 3.627 20 30 EHEDHN C#CCCN(CCOC)Cc1ccc(Br)c(Cl)c1 ZINC001174847035 1132485771 /nfs/dbraw/zinc/48/57/71/1132485771.db2.gz ZJPXNADMLHIONW-UHFFFAOYSA-N 0 3 330.653 3.574 20 30 EHEDHN C=CCOc1ccccc1CN1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000512561754 1040132253 /nfs/dbraw/zinc/13/22/53/1040132253.db2.gz MBPMKAOMEZIYPB-IEBWSBKVSA-N 0 3 344.499 3.768 20 30 EHEDHN CN(C)[C@H]1CCOc2c(Nc3ccc(C#N)cc3[N+](=O)[O-])cccc21 ZINC000432937282 1040224277 /nfs/dbraw/zinc/22/42/77/1040224277.db2.gz HBSWSNZRAVJYKK-INIZCTEOSA-N 0 3 338.367 3.595 20 30 EHEDHN CCCCCC(=O)NC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000486672738 1040329855 /nfs/dbraw/zinc/32/98/55/1040329855.db2.gz CSJCOXXZYLQHQT-UHFFFAOYSA-N 0 3 327.472 3.528 20 30 EHEDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168904 1040342429 /nfs/dbraw/zinc/34/24/29/1040342429.db2.gz GAWDGJNVLDAUBC-PMACEKPBSA-N 0 3 341.499 3.709 20 30 EHEDHN CC(=O)c1ccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433012610 1040473407 /nfs/dbraw/zinc/47/34/07/1040473407.db2.gz UDCAGUXFSHZKLI-FQEVSTJZSA-N 0 3 349.434 3.852 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)SCCN(C)Cc1ccccc1 ZINC000433021081 1040475517 /nfs/dbraw/zinc/47/55/17/1040475517.db2.gz FJIHAWWGPLGFCL-KRWDZBQOSA-N 0 3 334.529 3.665 20 30 EHEDHN COc1ccccc1NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433032042 1040510782 /nfs/dbraw/zinc/51/07/82/1040510782.db2.gz QFUGRJLRRMTPTF-QGZVFWFLSA-N 0 3 337.423 3.658 20 30 EHEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000924726047 1040555865 /nfs/dbraw/zinc/55/58/65/1040555865.db2.gz IREMMNPSFYNPQT-HNNXBMFYSA-N 0 3 336.439 3.752 20 30 EHEDHN Cn1nccc1-c1ccccc1CN1CCc2c(CC#N)cccc2C1 ZINC000600213762 1040831666 /nfs/dbraw/zinc/83/16/66/1040831666.db2.gz YZXNITLLVGWVKI-UHFFFAOYSA-N 0 3 342.446 3.711 20 30 EHEDHN C=CCCCN(C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000512802666 1040966284 /nfs/dbraw/zinc/96/62/84/1040966284.db2.gz NTYNZYWKALVPNR-IBGZPJMESA-N 0 3 347.503 3.684 20 30 EHEDHN C=CCOc1c(Br)cc(CNC/C=C\C)cc1OC ZINC000623738900 1041083244 /nfs/dbraw/zinc/08/32/44/1041083244.db2.gz BAUWKANYZWNCSG-XQRVVYSFSA-N 0 3 326.234 3.688 20 30 EHEDHN CC(C)[C@@H](C#N)N1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000613743033 1041117051 /nfs/dbraw/zinc/11/70/51/1041117051.db2.gz PTWRQLRFRRFQGC-UYSNPLJNSA-N 0 3 331.426 3.521 20 30 EHEDHN C=CCC(C)(C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000429899557 1041128905 /nfs/dbraw/zinc/12/89/05/1041128905.db2.gz ZIOLCTQCFVZRCD-UHFFFAOYSA-N 0 3 332.513 3.819 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](CC)SC)cc1 ZINC000156498041 1041251733 /nfs/dbraw/zinc/25/17/33/1041251733.db2.gz GYPVZSJTRIEHPA-HZPDHXFCSA-N 0 3 332.469 3.818 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000481687551 1041253130 /nfs/dbraw/zinc/25/31/30/1041253130.db2.gz BDQXDDWANDEHDG-IAGOWNOFSA-N 0 3 335.536 3.931 20 30 EHEDHN C[C@H](C(=O)OC(C)(C)C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000842349989 1041308461 /nfs/dbraw/zinc/30/84/61/1041308461.db2.gz SUIVXFZGRAYTGF-WDEREUQCSA-N 0 3 336.457 3.595 20 30 EHEDHN CC(C)[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N(C)C ZINC000066928592 1042496577 /nfs/dbraw/zinc/49/65/77/1042496577.db2.gz LUGQBVVSQCNBNF-IBGZPJMESA-N 0 3 337.423 3.875 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000303271918 1042921640 /nfs/dbraw/zinc/92/16/40/1042921640.db2.gz GGALZMLIWVHCNL-LJQANCHMSA-N 0 3 333.520 3.781 20 30 EHEDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccccc1C(C)(C)C#N ZINC000178532912 1043036211 /nfs/dbraw/zinc/03/62/11/1043036211.db2.gz IZXNEGWLPMMJDW-OAHLLOKOSA-N 0 3 345.487 3.833 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C3CC3)C2)c1 ZINC000344041397 1043144339 /nfs/dbraw/zinc/14/43/39/1043144339.db2.gz AGGMSAQLEZJMIF-HKUYNNGSSA-N 0 3 339.483 3.671 20 30 EHEDHN CN(C)Cc1cccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000344369625 1043782633 /nfs/dbraw/zinc/78/26/33/1043782633.db2.gz OTGATCRIXFXLOB-UHFFFAOYSA-N 0 3 346.390 3.527 20 30 EHEDHN CCN(CCC#N)C(=O)CN1CCCCC[C@@H]1c1cccc(C)c1 ZINC000344493605 1044069425 /nfs/dbraw/zinc/06/94/25/1044069425.db2.gz HZELJAQIWKPZEO-LJQANCHMSA-N 0 3 327.472 3.674 20 30 EHEDHN CC(=O)Nc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000171246218 1126758305 /nfs/dbraw/zinc/75/83/05/1126758305.db2.gz KSHVLBHMHDSATR-UHFFFAOYSA-N 0 3 337.423 3.617 20 30 EHEDHN OCC[C@H]1CCCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000671247728 1126818236 /nfs/dbraw/zinc/81/82/36/1126818236.db2.gz CBAGUXYTKCAGRU-QGZVFWFLSA-N 0 3 325.374 3.684 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000180286822 1127140763 /nfs/dbraw/zinc/14/07/63/1127140763.db2.gz FELNJMGJJDLELY-PMACEKPBSA-N 0 3 345.462 3.701 20 30 EHEDHN Cc1cccc([C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(C)(C)C)c1 ZINC000180791502 1127187102 /nfs/dbraw/zinc/18/71/02/1127187102.db2.gz ZLXTUZXIZRTZKM-QUCCMNQESA-N 0 3 329.488 3.726 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000181060148 1127265792 /nfs/dbraw/zinc/26/57/92/1127265792.db2.gz KWCQLYKIBCKWGW-PKOBYXMFSA-N 0 3 333.451 3.557 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)cc1F)c1nc2ccccc2s1 ZINC000338628555 1127934379 /nfs/dbraw/zinc/93/43/79/1127934379.db2.gz VHZIZJIOONRRMA-SNVBAGLBSA-N 0 3 329.331 3.820 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C2CC2)C2CCCC2)c1C ZINC000107791166 1128560270 /nfs/dbraw/zinc/56/02/70/1128560270.db2.gz VCNJGFZADABYCN-UHFFFAOYSA-N 0 3 339.483 3.957 20 30 EHEDHN COc1cccc([C@H](CNc2ccc(Cl)cc2C#N)N(C)C)c1 ZINC000301132128 1128574804 /nfs/dbraw/zinc/57/48/04/1128574804.db2.gz SPIFBPNRSQCSKX-SFHVURJKSA-N 0 3 329.831 3.935 20 30 EHEDHN CC(=O)c1ccc(C#N)cc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000302085071 1128618969 /nfs/dbraw/zinc/61/89/69/1128618969.db2.gz DPFCWSXOZNSBLT-HXUWFJFHSA-N 0 3 347.462 3.719 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000302099347 1128619534 /nfs/dbraw/zinc/61/95/34/1128619534.db2.gz KPZNWPOZFFFIQW-MGPUTAFESA-N 0 3 333.435 3.836 20 30 EHEDHN N#Cc1cccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000303617883 1128683303 /nfs/dbraw/zinc/68/33/03/1128683303.db2.gz CRQYTIVGUHNXLL-UHFFFAOYSA-N 0 3 340.398 3.620 20 30 EHEDHN C#CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000195227963 1120771677 /nfs/dbraw/zinc/77/16/77/1120771677.db2.gz DGRHADHTYJLYDN-UHFFFAOYSA-N 0 3 339.414 3.555 20 30 EHEDHN C[C@H](C/N=C\c1cc(Cl)ccc1O)N1CCc2ccccc2C1 ZINC000914558319 1120896289 /nfs/dbraw/zinc/89/62/89/1120896289.db2.gz SUUNOUSNKUZWAU-LQFJMUIISA-N 0 3 328.843 3.911 20 30 EHEDHN C=CCN1CCC(NC(=O)C/C=C\c2ccc(C(C)C)cc2)CC1 ZINC000495144290 1120968586 /nfs/dbraw/zinc/96/85/86/1120968586.db2.gz CIYPTIMRWFTVCW-WAYWQWQTSA-N 0 3 326.484 3.980 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000171640580 1121101948 /nfs/dbraw/zinc/10/19/48/1121101948.db2.gz OIVFCTYEPIHHRJ-UHFFFAOYSA-N 0 3 345.340 3.616 20 30 EHEDHN CC(C)[C@@H]1C[C@@H](NCc2cc(C#N)ccc2Br)CCO1 ZINC000921959418 1128973837 /nfs/dbraw/zinc/97/38/37/1128973837.db2.gz FYILWSBTXLTIRI-HOCLYGCPSA-N 0 3 337.261 3.614 20 30 EHEDHN C=CCN1CCC(NC(=O)CCSc2ccccc2Cl)CC1 ZINC000171725940 1121520764 /nfs/dbraw/zinc/52/07/64/1121520764.db2.gz LURQXXSLEODFOK-UHFFFAOYSA-N 0 3 338.904 3.589 20 30 EHEDHN CCCOc1cc(CNCc2ccc(OCC#N)cc2)ccc1OC ZINC000171769750 1121756941 /nfs/dbraw/zinc/75/69/41/1121756941.db2.gz GVONIOATPWSWLJ-UHFFFAOYSA-N 0 3 340.423 3.676 20 30 EHEDHN N#Cc1ccc(CN2CCN(c3ccnc4ccccc43)CC2)c(F)c1 ZINC000347680522 1129035051 /nfs/dbraw/zinc/03/50/51/1129035051.db2.gz BATMTSKHJZHMAQ-UHFFFAOYSA-N 0 3 346.409 3.568 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2OCCC)CC1 ZINC000125518004 1122319461 /nfs/dbraw/zinc/31/94/61/1122319461.db2.gz DKYYJDVDQVFDNL-UHFFFAOYSA-N 0 3 349.450 3.777 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC[C@H]2CCCO2)cc1 ZINC000916948419 1122409225 /nfs/dbraw/zinc/40/92/25/1122409225.db2.gz GMQMBABAOSPRLC-BMGDILEWSA-N 0 3 342.439 3.807 20 30 EHEDHN C=CCC[C@H](O)CN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000128557079 1122623625 /nfs/dbraw/zinc/62/36/25/1122623625.db2.gz UGBZJHCTWALOJN-AZUAARDMSA-N 0 3 329.415 3.840 20 30 EHEDHN C=CCN1CC[C@@H](N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)C1=O ZINC000499605269 1129073007 /nfs/dbraw/zinc/07/30/07/1129073007.db2.gz IXYAGHYAMIKREE-HZPDHXFCSA-N 0 3 340.389 3.779 20 30 EHEDHN N#Cc1ccc(CN(CCOc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000194957870 1123093322 /nfs/dbraw/zinc/09/33/22/1123093322.db2.gz PUEJEKKZEUWTLS-UHFFFAOYSA-N 0 3 337.379 3.510 20 30 EHEDHN N#Cc1cc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cs1 ZINC000922105500 1129104738 /nfs/dbraw/zinc/10/47/38/1129104738.db2.gz JQSHLAXCXMHZFF-QGZVFWFLSA-N 0 3 332.856 3.765 20 30 EHEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(Cl)c3ccccc32)C1=O ZINC000499636097 1129131937 /nfs/dbraw/zinc/13/19/37/1129131937.db2.gz ZZBNFBCIYCZMES-ACJLOTCBSA-N 0 3 328.843 3.931 20 30 EHEDHN Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)c(CN(C)C)c1 ZINC000609610708 1123623752 /nfs/dbraw/zinc/62/37/52/1123623752.db2.gz UJEFORIXNNGIKK-UHFFFAOYSA-N 0 3 346.434 3.787 20 30 EHEDHN CC1=CCC[C@@H](C)[C@@H]1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000615504125 1123813788 /nfs/dbraw/zinc/81/37/88/1123813788.db2.gz ILXPZDDBKLEJBZ-NVXWUHKLSA-N 0 3 340.471 3.538 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1sccc1C#N)c1cc(F)ccc1F ZINC000179780232 1123854527 /nfs/dbraw/zinc/85/45/27/1123854527.db2.gz WJLCSTXRZZLJNG-HNNXBMFYSA-N 0 3 349.406 3.967 20 30 EHEDHN C#CCOc1ccccc1CNC[C@@H](O)c1ccc2ccccc2c1 ZINC000237950766 1123925784 /nfs/dbraw/zinc/92/57/84/1123925784.db2.gz CACYBWFGZJNPDE-OAQYLSRUSA-N 0 3 331.415 3.675 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000245930017 1123983447 /nfs/dbraw/zinc/98/34/47/1123983447.db2.gz SEJATQHOBTWVKM-XNWVLMOPSA-N 0 3 347.890 3.635 20 30 EHEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)c1C#N ZINC000617227634 1124462838 /nfs/dbraw/zinc/46/28/38/1124462838.db2.gz FYYOTGSWWPJEHX-DYESRHJHSA-N 0 3 348.446 3.846 20 30 EHEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC1CCCC1 ZINC000069227565 1124538195 /nfs/dbraw/zinc/53/81/95/1124538195.db2.gz SOVWMGAGGRWILS-GFCCVEGCSA-N 0 3 331.485 3.557 20 30 EHEDHN COc1ccc(C#N)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000272804876 1124639111 /nfs/dbraw/zinc/63/91/11/1124639111.db2.gz DRKBWDBAAZPUEQ-UHFFFAOYSA-N 0 3 346.434 3.515 20 30 EHEDHN N#CC(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1nc2ccccc2[nH]1 ZINC000734964058 1131296935 /nfs/dbraw/zinc/29/69/35/1131296935.db2.gz SAFSHKOEDSUPDZ-QJPTWQEYSA-N 0 3 337.329 3.821 20 30 EHEDHN C[C@H](NCC#Cc1cccc(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000182017139 1125118336 /nfs/dbraw/zinc/11/83/36/1125118336.db2.gz OCTWZUDIIJLMBD-HNNXBMFYSA-N 0 3 336.826 3.623 20 30 EHEDHN C[S@](=O)c1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000619508588 1125354599 /nfs/dbraw/zinc/35/45/99/1125354599.db2.gz NMNMUIRCOPTTDX-YKSBVNFPSA-N 0 3 338.476 3.853 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000079121636 1129236941 /nfs/dbraw/zinc/23/69/41/1129236941.db2.gz MKRSLCPGDGWHQU-GOSISDBHSA-N 0 3 343.496 3.749 20 30 EHEDHN Cc1c(Cl)cnc(N(C)[C@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000543138057 1129274116 /nfs/dbraw/zinc/27/41/16/1129274116.db2.gz CZNWOXMWWAHYHO-INIZCTEOSA-N 0 3 340.858 3.626 20 30 EHEDHN CN(c1nc2c(cc1C#N)CCC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388526296 1129531300 /nfs/dbraw/zinc/53/13/00/1129531300.db2.gz RBBMZRXLEHKWEU-HXUWFJFHSA-N 0 3 346.478 3.543 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3OCCc4ccccc43)nc21 ZINC000735792114 1131380910 /nfs/dbraw/zinc/38/09/10/1131380910.db2.gz HUBHGDONIYAZAC-LPHOPBHVSA-N 0 3 345.402 3.752 20 30 EHEDHN C=CCc1cc(CNCc2ccc3c(c2)C[C@H](C)O3)cc(OC)c1O ZINC000922702220 1129637444 /nfs/dbraw/zinc/63/74/44/1129637444.db2.gz HEVQJHRPVMDVCJ-AWEZNQCLSA-N 0 3 339.435 3.743 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000658059347 1130101713 /nfs/dbraw/zinc/10/17/13/1130101713.db2.gz IHEQTBZOQDRMHF-XOKHGSTOSA-N 0 3 337.460 3.769 20 30 EHEDHN Cc1nc(CC(C)C)sc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000727953530 1130613186 /nfs/dbraw/zinc/61/31/86/1130613186.db2.gz JIBABIQMZGHPDV-AWEZNQCLSA-N 0 3 341.436 3.611 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000730124648 1130677941 /nfs/dbraw/zinc/67/79/41/1130677941.db2.gz AASZMHDOMIGNLV-UHFFFAOYSA-N 0 3 343.471 3.780 20 30 EHEDHN C#CCOc1ccccc1OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000730511100 1130716856 /nfs/dbraw/zinc/71/68/56/1130716856.db2.gz BZMHFBXKFZMXNX-UHFFFAOYSA-N 0 3 349.430 3.516 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000733678640 1131066555 /nfs/dbraw/zinc/06/65/55/1131066555.db2.gz FOADDTGXNPWSBS-XNJGSVPQSA-N 0 3 348.830 3.583 20 30 EHEDHN C=CCN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)C(C)C ZINC000734280818 1131215107 /nfs/dbraw/zinc/21/51/07/1131215107.db2.gz RBTUAVUDTZESOY-LJQANCHMSA-N 0 3 329.488 3.820 20 30 EHEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000739999932 1131515363 /nfs/dbraw/zinc/51/53/63/1131515363.db2.gz NBPGOKDWAPBOMF-HUUCEWRRSA-N 0 3 340.854 3.796 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CNC[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000741256110 1131590240 /nfs/dbraw/zinc/59/02/40/1131590240.db2.gz KLVPSGGTHVGDRY-SJKOYZFVSA-N 0 3 348.805 3.593 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741782877 1131647100 /nfs/dbraw/zinc/64/71/00/1131647100.db2.gz YJRBNNAICLHDHQ-BEFAXECRSA-N 0 3 335.407 3.576 20 30 EHEDHN C[C@@H](CCCC#N)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001172500800 1131760882 /nfs/dbraw/zinc/76/08/82/1131760882.db2.gz AIGIWRCNUAEUCX-AWEZNQCLSA-N 0 3 341.377 3.790 20 30 EHEDHN C[C@H]1CC[C@H](N(C)Cc2cccc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001173077424 1131958920 /nfs/dbraw/zinc/95/89/20/1131958920.db2.gz QQQOCVBRLLCKRZ-YJBOKZPZSA-N 0 3 343.471 3.778 20 30 EHEDHN N#CC(C(=O)Cc1cc(F)ccc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000744026328 1132005751 /nfs/dbraw/zinc/00/57/51/1132005751.db2.gz VTCHSPPESNLOAD-CQSZACIVSA-N 0 3 348.736 3.508 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@]34CCc3ccccc34)nc21 ZINC000744161391 1132035961 /nfs/dbraw/zinc/03/59/61/1132035961.db2.gz TZNRLBUCMMVUGQ-ZWWNWMABSA-N 0 3 341.414 3.952 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2C1CCC(CC#N)CC1 ZINC001173335184 1132052006 /nfs/dbraw/zinc/05/20/06/1132052006.db2.gz CITCGSFZISURJR-BACDZXNISA-N 0 3 333.476 3.543 20 30 EHEDHN CC[C@]1(C)CCCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000744420876 1132086729 /nfs/dbraw/zinc/08/67/29/1132086729.db2.gz WJKDDKDMTGCDTE-HRAATJIYSA-N 0 3 348.450 3.736 20 30 EHEDHN CC(C)C[C@H]([NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1)C(=O)N[O-] ZINC001173547709 1132090472 /nfs/dbraw/zinc/09/04/72/1132090472.db2.gz RIXQDDNRIKPYJT-NHYWBVRUSA-N 0 3 347.286 3.824 20 30 EHEDHN CC[C@H](C)[C@H]([NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1)C(=O)N[O-] ZINC001173548098 1132092671 /nfs/dbraw/zinc/09/26/71/1132092671.db2.gz XPTFDQUETKWNBY-PGUXBMHVSA-N 0 3 347.286 3.824 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](CC(C)C)C2)cc1 ZINC000745946388 1132334646 /nfs/dbraw/zinc/33/46/46/1132334646.db2.gz BVQMVOOCIZKXFI-MOPGFXCFSA-N 0 3 341.499 3.998 20 30 EHEDHN N#Cc1cccc(OCCN2CCC(Oc3cccc(F)c3)CC2)c1 ZINC001174818466 1132470992 /nfs/dbraw/zinc/47/09/92/1132470992.db2.gz GEEDDRXLNVKBPD-UHFFFAOYSA-N 0 3 340.398 3.620 20 30 EHEDHN C#CCC1(C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)CCCCC1 ZINC001169150951 1132678593 /nfs/dbraw/zinc/67/85/93/1132678593.db2.gz XIRWWIOLKBVMKV-FQEVSTJZSA-N 0 3 338.495 3.659 20 30 EHEDHN C[C@H]1CN(Cc2ccc(OCC#N)cc2)[C@@H](C)CN1Cc1ccccc1 ZINC000766964185 1132923487 /nfs/dbraw/zinc/92/34/87/1132923487.db2.gz PLTBQRDFXCUPJD-OALUTQOASA-N 0 3 349.478 3.684 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(-c2ccccc2)cnn1 ZINC001177909608 1133110691 /nfs/dbraw/zinc/11/06/91/1133110691.db2.gz XAVBGPQMNFVESA-AWEZNQCLSA-N 0 3 334.404 3.526 20 30 EHEDHN N#Cc1cc(CNCCNc2cccc(Br)c2)cs1 ZINC001178317823 1133158908 /nfs/dbraw/zinc/15/89/08/1133158908.db2.gz PSTQUTWPQHSYDV-UHFFFAOYSA-N 0 3 336.258 3.584 20 30 EHEDHN C#CCN(Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1)CC1CC1 ZINC001180116876 1133334349 /nfs/dbraw/zinc/33/43/49/1133334349.db2.gz MYJKOBDYCMSIQX-UHFFFAOYSA-N 0 3 337.419 3.969 20 30 EHEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc2c1OCCO2 ZINC000746854575 1133572691 /nfs/dbraw/zinc/57/26/91/1133572691.db2.gz ZLCJVVDCHRZYDE-UHFFFAOYSA-N 0 3 336.435 3.988 20 30 EHEDHN CC[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000774309845 1133658302 /nfs/dbraw/zinc/65/83/02/1133658302.db2.gz BIRQYUMULWHSNY-NRFANRHFSA-N 0 3 334.467 3.873 20 30 EHEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1csc2ccccc21 ZINC000786781224 1133903413 /nfs/dbraw/zinc/90/34/13/1133903413.db2.gz AQDVPYOSWRPHAW-OLZOCXBDSA-N 0 3 327.453 3.503 20 30 EHEDHN C[C@@H]1CCC[C@@H](CC(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787078386 1133946577 /nfs/dbraw/zinc/94/65/77/1133946577.db2.gz NEYXFIZZMBLZGQ-KBAYOESNSA-N 0 3 326.440 3.570 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CC[C@H](OC)C(F)(F)F)c([O-])c1 ZINC000787139907 1133958067 /nfs/dbraw/zinc/95/80/67/1133958067.db2.gz CXRNRGXWWRPQSA-PFHZTYADSA-N 0 3 332.366 3.625 20 30 EHEDHN CC1(C)OCc2cc(CN[C@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000787336165 1133998085 /nfs/dbraw/zinc/99/80/85/1133998085.db2.gz ZWJBJUUTEDCNBE-IBGZPJMESA-N 0 3 334.419 3.980 20 30 EHEDHN N#Cc1ccc(CN2CCCCC[C@H]2C[C@H](O)c2cccs2)nc1 ZINC000788021981 1134074024 /nfs/dbraw/zinc/07/40/24/1134074024.db2.gz JRXDNOZNDMGXKX-ROUUACIJSA-N 0 3 341.480 3.883 20 30 EHEDHN Cc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1C#N ZINC000774885632 1134090930 /nfs/dbraw/zinc/09/09/30/1134090930.db2.gz CQOCHJLXNNQUMJ-YJBOKZPZSA-N 0 3 343.471 3.602 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1OC ZINC000775075710 1134282138 /nfs/dbraw/zinc/28/21/38/1134282138.db2.gz BMEAUOURCBSMDA-GOSISDBHSA-N 0 3 337.423 3.636 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccc(C)o2)cc1 ZINC000775227021 1134548361 /nfs/dbraw/zinc/54/83/61/1134548361.db2.gz MDDBTAOGCSFTCZ-UGSOOPFHSA-N 0 3 338.407 3.992 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001189753494 1134621231 /nfs/dbraw/zinc/62/12/31/1134621231.db2.gz KTQSSOPPZFAGQB-OAHLLOKOSA-N 0 3 330.453 3.617 20 30 EHEDHN N#CC(C(=O)C1=Cc2ccccc2OC1)c1nccc2ccccc21 ZINC000792106031 1134650598 /nfs/dbraw/zinc/65/05/98/1134650598.db2.gz OYFXXHCBTVVPEC-SFHVURJKSA-N 0 3 326.355 3.887 20 30 EHEDHN CC[C@H](c1ccccc1)N1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC001191244243 1134835897 /nfs/dbraw/zinc/83/58/97/1134835897.db2.gz HKVZFZYEEURXHZ-OAQYLSRUSA-N 0 3 349.478 3.836 20 30 EHEDHN C=CCN(C)CCN(CC)Cc1cccc(C)c1Br ZINC001193920516 1135203987 /nfs/dbraw/zinc/20/39/87/1135203987.db2.gz OCBXIEKCQUNRCA-UHFFFAOYSA-N 0 3 325.294 3.697 20 30 EHEDHN O=C(Oc1ccc2ccccc2c1)N1CCC2SC(=O)C=C2C1 ZINC001194638992 1135295794 /nfs/dbraw/zinc/29/57/94/1135295794.db2.gz VSFYXWCOCXHWLF-MRXNPFEDSA-N 0 3 325.389 3.613 20 30 EHEDHN N#Cc1ccc(N2CC[C@H](N3CC[C@@H](C4CCCCC4)C3)C2=O)cc1 ZINC001195894642 1135482033 /nfs/dbraw/zinc/48/20/33/1135482033.db2.gz WHIGXOXHMMOQKG-QUCCMNQESA-N 0 3 337.467 3.566 20 30 EHEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001195946162 1135497948 /nfs/dbraw/zinc/49/79/48/1135497948.db2.gz IASCTAWKFDAHIX-AGYKMIKPSA-N 0 3 331.504 3.594 20 30 EHEDHN C=CC[C@@H]1CCN(CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001196441301 1135557794 /nfs/dbraw/zinc/55/77/94/1135557794.db2.gz KZQRLDSJJSHHEM-JKSUJKDBSA-N 0 3 326.440 3.850 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]3CCC[C@H]32)cc1C ZINC000747531194 1135743553 /nfs/dbraw/zinc/74/35/53/1135743553.db2.gz SETPJQZHWXWKFE-UYAOXDASSA-N 0 3 339.483 3.815 20 30 EHEDHN C#Cc1ccc(CNCc2cccc(COC3CCOCC3)c2)cc1 ZINC000809613979 1135857937 /nfs/dbraw/zinc/85/79/37/1135857937.db2.gz FADUDVHBQYYBNZ-UHFFFAOYSA-N 0 3 335.447 3.653 20 30 EHEDHN C#Cc1ccc(CN2CCC(Nc3cccc(C(=O)OC)c3)CC2)cc1 ZINC000809755410 1135886616 /nfs/dbraw/zinc/88/66/16/1135886616.db2.gz NBVBMEXEBKHMAV-UHFFFAOYSA-N 0 3 348.446 3.531 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)CCCc1ccccc1Cl ZINC000810529064 1135970346 /nfs/dbraw/zinc/97/03/46/1135970346.db2.gz ZMPCTNUZKYBAFZ-OAHLLOKOSA-N 0 3 334.847 3.678 20 30 EHEDHN CCCCCCCN1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1 ZINC001201797681 1136063957 /nfs/dbraw/zinc/06/39/57/1136063957.db2.gz CPQYZOZSIPBHFP-UHFFFAOYSA-N 0 3 343.471 3.624 20 30 EHEDHN O=C(Nc1c(Cl)cccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001202094873 1136093778 /nfs/dbraw/zinc/09/37/78/1136093778.db2.gz PBTPLCINAFHCKT-NSHDSACASA-N 0 3 343.235 3.799 20 30 EHEDHN C=CCc1cc(OC)cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811779321 1136135067 /nfs/dbraw/zinc/13/50/67/1136135067.db2.gz OVZLPJFEWCXOOP-HKUYNNGSSA-N 0 3 331.456 3.519 20 30 EHEDHN C=CCc1cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)c(OC)c1 ZINC000811793175 1136141249 /nfs/dbraw/zinc/14/12/49/1136141249.db2.gz TVNBDEKIKXGYLV-PXNSSMCTSA-N 0 3 343.467 3.663 20 30 EHEDHN C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000781424176 1136174812 /nfs/dbraw/zinc/17/48/12/1136174812.db2.gz VQOUUHUUJGAJRV-UKRRQHHQSA-N 0 3 347.434 3.747 20 30 EHEDHN COc1ccc(N2CCC(NCC3(C#N)CCCCC3)CC2)cc1 ZINC000850391688 1136247679 /nfs/dbraw/zinc/24/76/79/1136247679.db2.gz XAPSUUKTYSTTCT-UHFFFAOYSA-N 0 3 327.472 3.728 20 30 EHEDHN C=CCCSCCN[C@@H](C)c1cc(Br)ncc1F ZINC000850502926 1136273621 /nfs/dbraw/zinc/27/36/21/1136273621.db2.gz WWDLEYSYVOTZNA-JTQLQIEISA-N 0 3 333.270 3.943 20 30 EHEDHN C=CCOCCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000850530878 1136280047 /nfs/dbraw/zinc/28/00/47/1136280047.db2.gz FMKINNBFDALZEY-LBPRGKRZSA-N 0 3 328.250 3.706 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@@H](OC)C2)cc1 ZINC000850761097 1136301831 /nfs/dbraw/zinc/30/18/31/1136301831.db2.gz GUBWRNFVSLVPKL-PAYONLEZSA-N 0 3 342.439 3.663 20 30 EHEDHN N#Cc1ccc([C@H](O)CN2CCC3(C=Cc4ccccc4O3)CC2)cc1 ZINC000852730655 1136481312 /nfs/dbraw/zinc/48/13/12/1136481312.db2.gz UWLUVUPHCGMNHK-HXUWFJFHSA-N 0 3 346.430 3.532 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(C#N)cc2)ccc1OC ZINC000113348212 1136697416 /nfs/dbraw/zinc/69/74/16/1136697416.db2.gz HEESPQSDHFWYMH-SFHVURJKSA-N 0 3 335.407 3.538 20 30 EHEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001170882515 1136844513 /nfs/dbraw/zinc/84/45/13/1136844513.db2.gz SXZPJMZKYMQHTD-YJBOKZPZSA-N 0 3 343.471 3.541 20 30 EHEDHN Cc1ccc([C@@H](O)CNCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000818946820 1136894223 /nfs/dbraw/zinc/89/42/23/1136894223.db2.gz XAXKYBMSFPYRLZ-SFHVURJKSA-N 0 3 333.353 3.689 20 30 EHEDHN FC(F)(F)[C@H]1C=C(NNc2cc(Cl)nc(Cl)c2)CCO1 ZINC000819828524 1136963617 /nfs/dbraw/zinc/96/36/17/1136963617.db2.gz GUCFWMFPKWJMGD-MRVPVSSYSA-N 0 3 328.121 3.898 20 30 EHEDHN Cc1ccc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859107369 1137003468 /nfs/dbraw/zinc/00/34/68/1137003468.db2.gz HLPCWHQHPOYNEE-KRWDZBQOSA-N 0 3 343.471 3.603 20 30 EHEDHN C[Si](C)(C)c1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000821621152 1137034051 /nfs/dbraw/zinc/03/40/51/1137034051.db2.gz IKQVFVYJPPXLIE-INIZCTEOSA-N 0 3 348.478 3.792 20 30 EHEDHN C=CCC[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000772856810 1137049819 /nfs/dbraw/zinc/04/98/19/1137049819.db2.gz RVNXCEDXBSKSRJ-FQEVSTJZSA-N 0 3 343.492 3.899 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000822494236 1137060309 /nfs/dbraw/zinc/06/03/09/1137060309.db2.gz KHQPMNIJWKOXJG-RXVVDRJESA-N 0 3 339.435 3.652 20 30 EHEDHN N#CC(C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12)c1nc2ccccc2[nH]1 ZINC000860449985 1137060665 /nfs/dbraw/zinc/06/06/65/1137060665.db2.gz KHSMLRLNLVAJGI-MJSCVDMRSA-N 0 3 347.805 3.978 20 30 EHEDHN C#C[C@H](Cc1ccccc1)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805900739 1137178865 /nfs/dbraw/zinc/17/88/65/1137178865.db2.gz VAOZMRXOONCNJR-JOCHJYFZSA-N 0 3 347.458 3.686 20 30 EHEDHN CCc1nc(C(C)C)ccc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370814 1137213197 /nfs/dbraw/zinc/21/31/97/1137213197.db2.gz JUMLQDHEQBIISL-OAQYLSRUSA-N 0 3 337.467 3.804 20 30 EHEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845442072 1137292077 /nfs/dbraw/zinc/29/20/77/1137292077.db2.gz KEFIDWQFQFIRIR-RCCFBDPRSA-N 0 3 332.403 3.923 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000865731450 1137307709 /nfs/dbraw/zinc/30/77/09/1137307709.db2.gz OBGCNRTWHUYQTI-STQMWFEESA-N 0 3 337.379 3.675 20 30 EHEDHN C#Cc1ccc(CN2CCC(N3Cc4ccccc4NC3=O)CC2)cc1 ZINC001144573897 1137311985 /nfs/dbraw/zinc/31/19/85/1137311985.db2.gz SMHNYLOLEDLVJG-UHFFFAOYSA-N 0 3 345.446 3.680 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001171230067 1137355889 /nfs/dbraw/zinc/35/58/89/1137355889.db2.gz SKKIKGYRROXPSN-GUYCJALGSA-N 0 3 340.389 3.515 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)s1 ZINC000847008237 1137382372 /nfs/dbraw/zinc/38/23/72/1137382372.db2.gz DXGDHOGFZHUOCR-RTBURBONSA-N 0 3 326.465 3.578 20 30 EHEDHN COc1ccc(C(C)N=Nc2cccc(F)n2)cc1CN1CCCC1 ZINC000795008595 1137405240 /nfs/dbraw/zinc/40/52/40/1137405240.db2.gz MMOCFSFVVIRECU-UHFFFAOYSA-N 0 3 342.418 3.661 20 30 EHEDHN C=CC[C@H]1CCCN(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001171847773 1137515690 /nfs/dbraw/zinc/51/56/90/1137515690.db2.gz SAVHEKNUJBXVFM-GJZGRUSLSA-N 0 3 336.426 3.772 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(Cc2ccccc2)C[C@H]1C ZINC001172307611 1137545542 /nfs/dbraw/zinc/54/55/42/1137545542.db2.gz OXZHSYNCNKKETL-RBUKOAKNSA-N 0 3 333.479 3.696 20 30 EHEDHN CO[C@]12CCC[C@@]1(C(=O)C(C#N)c1ncc(C(C)(C)C)s1)CCO2 ZINC000873527522 1137601680 /nfs/dbraw/zinc/60/16/80/1137601680.db2.gz GUYGUCSJFSDWDH-UUWFMWQGSA-N 0 3 348.468 3.550 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000876629613 1137657509 /nfs/dbraw/zinc/65/75/09/1137657509.db2.gz UQFBBNKLVZBFLL-TVQRCGJNSA-N 0 3 335.662 3.511 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000876698525 1137659390 /nfs/dbraw/zinc/65/93/90/1137659390.db2.gz RGAPSMZRBAZSKK-KBPBESRZSA-N 0 3 330.806 3.638 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000876901511 1137664981 /nfs/dbraw/zinc/66/49/81/1137664981.db2.gz FNSBIGUKMBMMCM-TVQRCGJNSA-N 0 3 335.662 3.511 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCC(C)C)cc1F ZINC000876954148 1137666174 /nfs/dbraw/zinc/66/61/74/1137666174.db2.gz DAQGIEOXFUJLDQ-CQSZACIVSA-N 0 3 328.815 3.659 20 30 EHEDHN Cc1ccc(O[C@@H]2CCCN(Cc3ccc(OCC#N)cc3)C2)cc1 ZINC001137119378 1137674748 /nfs/dbraw/zinc/67/47/48/1137674748.db2.gz KLFJIJIHMBKYRD-OAQYLSRUSA-N 0 3 336.435 3.941 20 30 EHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877363844 1137674865 /nfs/dbraw/zinc/67/48/65/1137674865.db2.gz ILPJPNUELISYPY-YLFCFFPRSA-N 0 3 335.492 3.836 20 30 EHEDHN C=CC[C@H]1CCN(Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000877651367 1137684382 /nfs/dbraw/zinc/68/43/82/1137684382.db2.gz XCYWRQGMXRTVBL-AWEZNQCLSA-N 0 3 349.475 3.832 20 30 EHEDHN N#CC1(c2ccc(CN3Cc4cccnc4N4CCC[C@@H]4C3)cc2)CC1 ZINC000877714434 1137686766 /nfs/dbraw/zinc/68/67/66/1137686766.db2.gz WRMCGEPQSMVDHB-HXUWFJFHSA-N 0 3 344.462 3.621 20 30 EHEDHN C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1[O-] ZINC000877756285 1137688239 /nfs/dbraw/zinc/68/82/39/1137688239.db2.gz FKCKIVRRWHHCBK-MRXNPFEDSA-N 0 3 335.451 3.579 20 30 EHEDHN CC(=O)[C@@](C#N)(CCN(C)[C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000878105312 1137702672 /nfs/dbraw/zinc/70/26/72/1137702672.db2.gz AISAIXKTFTXNOH-GOTSBHOMSA-N 0 3 346.474 3.916 20 30 EHEDHN CC(=O)[C@](C#N)(CCN1CCC[C@@]2(CCSC2)C1)c1ccccc1 ZINC000878689270 1137725092 /nfs/dbraw/zinc/72/50/92/1137725092.db2.gz FICOXIPNYKXARO-WOJBJXKFSA-N 0 3 342.508 3.646 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(C(F)F)c2)CC1 ZINC000880686799 1137784489 /nfs/dbraw/zinc/78/44/89/1137784489.db2.gz YSEWUZVKDXAPSS-UHFFFAOYSA-N 0 3 327.350 3.535 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2cccc(Cn3cccn3)c2)cc1 ZINC000129411878 1137820044 /nfs/dbraw/zinc/82/00/44/1137820044.db2.gz YNLQMBBYHALINS-SFHVURJKSA-N 0 3 345.446 3.794 20 30 EHEDHN CCCCC[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1 ZINC000884115078 1137910366 /nfs/dbraw/zinc/91/03/66/1137910366.db2.gz ITITVIGQOBLORY-XTBIFASLSA-N 0 3 339.483 3.564 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000118391883 1137933574 /nfs/dbraw/zinc/93/35/74/1137933574.db2.gz VYRRFDRGJACIGZ-MRXNPFEDSA-N 0 3 333.435 3.514 20 30 EHEDHN CCOc1ccc(CNCc2ccc(SC)c(C#N)c2)cc1OC ZINC000886278500 1138063667 /nfs/dbraw/zinc/06/36/67/1138063667.db2.gz ASBBSIUOKKNPQI-UHFFFAOYSA-N 0 3 342.464 3.977 20 30 EHEDHN N#CC1(C[C@H](O)CN2CCC[C@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC000886296948 1138065477 /nfs/dbraw/zinc/06/54/77/1138065477.db2.gz FMWIFDDQQRBWKX-HOTGVXAUSA-N 0 3 334.410 3.589 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CCC[C@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC000886296950 1138065491 /nfs/dbraw/zinc/06/54/91/1138065491.db2.gz FMWIFDDQQRBWKX-JKSUJKDBSA-N 0 3 334.410 3.589 20 30 EHEDHN CC(C)[C@@H](Cc1ccccc1)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000886423586 1138074678 /nfs/dbraw/zinc/07/46/78/1138074678.db2.gz HWHJLKFRVMEELU-LJQANCHMSA-N 0 3 346.434 3.965 20 30 EHEDHN CSc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1C#N ZINC000886686469 1138115344 /nfs/dbraw/zinc/11/53/44/1138115344.db2.gz QQLQWXYYXFFHQD-ZDUSSCGKSA-N 0 3 340.448 3.902 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000886761971 1138134132 /nfs/dbraw/zinc/13/41/32/1138134132.db2.gz OGQDWJJCSYGBAP-UHFFFAOYSA-N 0 3 329.362 3.531 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000077594220 1138141497 /nfs/dbraw/zinc/14/14/97/1138141497.db2.gz HPOVBRUOVPBZLD-QGZVFWFLSA-N 0 3 331.460 3.557 20 30 EHEDHN CC[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc2ccccc21 ZINC000886918422 1138172536 /nfs/dbraw/zinc/17/25/36/1138172536.db2.gz ZKTLLNRUKHKBMR-TZIWHRDSSA-N 0 3 335.451 3.689 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cnn([C@H](C)CC)c2C2CC2)CC1 ZINC000089819981 1138205928 /nfs/dbraw/zinc/20/59/28/1138205928.db2.gz XEMNMGIWUIFUSC-OAHLLOKOSA-N 0 3 344.503 3.502 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc(COc3ccccc3)cc2)CC1 ZINC000091166448 1138216858 /nfs/dbraw/zinc/21/68/58/1138216858.db2.gz NODOMYYVSDGPHA-UHFFFAOYSA-N 0 3 348.446 3.549 20 30 EHEDHN C=CCN(CCCC1(C#N)CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000337145252 1138478761 /nfs/dbraw/zinc/47/87/61/1138478761.db2.gz XJCKAGQSYOWGQY-UHFFFAOYSA-N 0 3 343.427 3.683 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccccc2)CC1 ZINC000264423748 1138510075 /nfs/dbraw/zinc/51/00/75/1138510075.db2.gz XSPHCPMQKXYHCX-LJQANCHMSA-N 0 3 327.472 3.574 20 30 EHEDHN Clc1cccc(C#CCN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000152173567 1139077018 /nfs/dbraw/zinc/07/70/18/1139077018.db2.gz KJVUXOWCKLTVSO-INIZCTEOSA-N 0 3 340.858 3.567 20 30 EHEDHN Clc1cccc(C#CCN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000152173567 1139077027 /nfs/dbraw/zinc/07/70/27/1139077027.db2.gz KJVUXOWCKLTVSO-INIZCTEOSA-N 0 3 340.858 3.567 20 30 EHEDHN CC1CCN([C@@H](CNCc2ccc(C#N)o2)c2cccs2)CC1 ZINC000174240032 1139408333 /nfs/dbraw/zinc/40/83/33/1139408333.db2.gz RBGZHXNBQPCNJZ-KRWDZBQOSA-N 0 3 329.469 3.776 20 30 EHEDHN COc1cccc([C@H](C)N2CCN(CCCC(C)(C)C#N)CC2)c1 ZINC000174846974 1139446110 /nfs/dbraw/zinc/44/61/10/1139446110.db2.gz ACTPTTSMQRJORT-KRWDZBQOSA-N 0 3 329.488 3.704 20 30 EHEDHN C[C@@H](NC[C@H]1COC2(CCC(C)CC2)O1)c1ccc(C#N)c(F)c1 ZINC000777312730 1139567476 /nfs/dbraw/zinc/56/74/76/1139567476.db2.gz KKYCUQMUOOGWAM-NKCCXGTCSA-N 0 3 332.419 3.670 20 30 EHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000177064583 1139595395 /nfs/dbraw/zinc/59/53/95/1139595395.db2.gz GHJNWIFTNAPXIS-UHFFFAOYSA-N 0 3 331.423 3.550 20 30 EHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000184971478 1140128524 /nfs/dbraw/zinc/12/85/24/1140128524.db2.gz OQDYBTUNWMHXGQ-APWZRJJASA-N 0 3 330.472 3.551 20 30 EHEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000184991794 1140129859 /nfs/dbraw/zinc/12/98/59/1140129859.db2.gz CMVFCIYYQVLDHZ-KRWDZBQOSA-N 0 3 329.488 3.678 20 30 EHEDHN Cc1ccccc1C(=O)NC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000188291482 1140290445 /nfs/dbraw/zinc/29/04/45/1140290445.db2.gz UYIJNEBMIAALEX-KRWDZBQOSA-N 0 3 347.462 3.822 20 30 EHEDHN Cc1cc(C)cc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190633600 1140412573 /nfs/dbraw/zinc/41/25/73/1140412573.db2.gz JZCPDZNJYSMSSO-DYESRHJHSA-N 0 3 347.462 3.627 20 30 EHEDHN C[C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(OCC#N)cc1 ZINC000192941572 1140555900 /nfs/dbraw/zinc/55/59/00/1140555900.db2.gz RHHJMHXWXIKYOX-INIZCTEOSA-N 0 3 349.434 3.567 20 30 EHEDHN COc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000269722307 1141138236 /nfs/dbraw/zinc/13/82/36/1141138236.db2.gz UTNYCASIOHMZSP-IAGOWNOFSA-N 0 3 342.464 3.716 20 30 EHEDHN COc1ccc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000269722309 1141138671 /nfs/dbraw/zinc/13/86/71/1141138671.db2.gz UTNYCASIOHMZSP-SJORKVTESA-N 0 3 342.464 3.716 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000271562175 1141397670 /nfs/dbraw/zinc/39/76/70/1141397670.db2.gz UOMQIRILLQOOLX-DXMSMQRWSA-N 0 3 341.476 3.848 20 30 EHEDHN CC(C)(NCc1ccc(C#N)o1)[C@@H](O)c1ccc(Br)cc1 ZINC000273876449 1141437456 /nfs/dbraw/zinc/43/74/56/1141437456.db2.gz PUWXSPZOAICAMG-HNNXBMFYSA-N 0 3 349.228 3.516 20 30 EHEDHN C=C(C[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC000823883147 608504822 /nfs/dbraw/zinc/50/48/22/608504822.db2.gz JXXPUDBJUFOXMW-LJQANCHMSA-N 0 3 331.423 3.547 20 30 EHEDHN C=C(C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000823883147 608504823 /nfs/dbraw/zinc/50/48/23/608504823.db2.gz JXXPUDBJUFOXMW-LJQANCHMSA-N 0 3 331.423 3.547 20 30 EHEDHN N#Cc1csc(CNCC[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000339425475 1014402108 /nfs/dbraw/zinc/40/21/08/1014402108.db2.gz UYAMLCUVIIHNRO-CYBMUJFWSA-N 0 3 325.359 3.841 20 30 EHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CNCc2ccccc21 ZINC000320902181 1014547838 /nfs/dbraw/zinc/54/78/38/1014547838.db2.gz DUHFYDHBASWTNO-INIZCTEOSA-N 0 3 346.883 3.803 20 30 EHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(F)c(Br)c1 ZINC000339494544 1014586035 /nfs/dbraw/zinc/58/60/35/1014586035.db2.gz SWQQTDPLPWMZSD-JTQLQIEISA-N 0 3 336.208 3.649 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OCCOC)cc2)cc1 ZINC000154071775 1014958605 /nfs/dbraw/zinc/95/86/05/1014958605.db2.gz JVVCQJMQAHZCMZ-QGZVFWFLSA-N 0 3 339.435 3.575 20 30 EHEDHN CC(C)[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000015057090 1015239907 /nfs/dbraw/zinc/23/99/07/1015239907.db2.gz JWJMGBOHGAEIGM-LJQANCHMSA-N 0 3 345.462 3.797 20 30 EHEDHN COc1ccc([C@@H](CNc2cc(C#N)ccn2)N2CCCCC2)cc1 ZINC000339966998 1016083002 /nfs/dbraw/zinc/08/30/02/1016083002.db2.gz DCZPQHISIHUXMX-LJQANCHMSA-N 0 3 336.439 3.601 20 30 EHEDHN C=CCCCCCN1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001209422775 1016240930 /nfs/dbraw/zinc/24/09/30/1016240930.db2.gz IFCIPZDJNFGYOX-SFHVURJKSA-N 0 3 340.471 3.535 20 30 EHEDHN COc1cccc(O)c1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000748098447 1016275872 /nfs/dbraw/zinc/27/58/72/1016275872.db2.gz DBSPUKASCZDDER-UHFFFAOYSA-N 0 3 335.325 3.561 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000178563081 1016719900 /nfs/dbraw/zinc/71/99/00/1016719900.db2.gz SITQSBUWRKPIKT-FQEVSTJZSA-N 0 3 348.450 3.825 20 30 EHEDHN CC[NH+](CC)Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000340363774 1017036833 /nfs/dbraw/zinc/03/68/33/1017036833.db2.gz MFGUWNLYFOLEJK-QGZVFWFLSA-N 0 3 346.434 3.895 20 30 EHEDHN CC(C)c1ccc(OCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000127984736 1032232229 /nfs/dbraw/zinc/23/22/29/1032232229.db2.gz HMOGZNOSXNQSBL-GOSISDBHSA-N 0 3 336.391 3.536 20 30 EHEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1OCCC(C)C ZINC000905079677 1032332255 /nfs/dbraw/zinc/33/22/55/1032332255.db2.gz DPEOHPLETNOBOC-GRRFOWRYSA-N 0 3 341.411 3.553 20 30 EHEDHN Cc1cc([C@@H](NCC(=O)Nc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000537219985 1032565599 /nfs/dbraw/zinc/56/55/99/1032565599.db2.gz LLNLALVXEPGECD-FQEVSTJZSA-N 0 3 337.398 3.685 20 30 EHEDHN N#Cc1ccc(CNC[C@H]2CCCCN2Cc2cccc(Cl)c2)o1 ZINC000537289271 1032596203 /nfs/dbraw/zinc/59/62/03/1032596203.db2.gz RUCVISQUNIOCNB-QGZVFWFLSA-N 0 3 343.858 3.949 20 30 EHEDHN Cc1ccccc1C1(NCC(=O)N(CCC#N)c2ccccc2)CCC1 ZINC000593040319 1032675454 /nfs/dbraw/zinc/67/54/54/1032675454.db2.gz QTRJUXGMJOQNND-UHFFFAOYSA-N 0 3 347.462 3.911 20 30 EHEDHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000377009968 1017255606 /nfs/dbraw/zinc/25/56/06/1017255606.db2.gz OETUWRFJCXPFOM-DMXYAQSFSA-N 0 3 345.446 3.846 20 30 EHEDHN C=C(C)c1cccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000890888885 1017257393 /nfs/dbraw/zinc/25/73/93/1017257393.db2.gz LTXKVWCQRBVCIQ-LSDHHAIUSA-N 0 3 343.345 3.642 20 30 EHEDHN N#Cc1ccc(C2(NCc3scnc3C3CC3)CCOCC2)cc1 ZINC000599005153 1017319751 /nfs/dbraw/zinc/31/97/51/1017319751.db2.gz KSEQXMZHIBJTGY-UHFFFAOYSA-N 0 3 339.464 3.688 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000275592888 1017410184 /nfs/dbraw/zinc/41/01/84/1017410184.db2.gz KCGBWQUAIHGEKR-RKVPGOIHSA-N 0 3 343.471 3.854 20 30 EHEDHN C=CC[C@@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC001167719122 1018058614 /nfs/dbraw/zinc/05/86/14/1018058614.db2.gz AKSIDWKOFXESLR-WIYYLYMNSA-N 0 3 340.511 3.754 20 30 EHEDHN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000328823540 1018575803 /nfs/dbraw/zinc/57/58/03/1018575803.db2.gz PKYPIKWMVYHOJJ-ZWKOTPCHSA-N 0 3 343.471 3.897 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000614402360 1018975533 /nfs/dbraw/zinc/97/55/33/1018975533.db2.gz ASKAZANZNXVCFD-KRWDZBQOSA-N 0 3 328.456 3.811 20 30 EHEDHN C=CCCN(C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000467285860 1019602148 /nfs/dbraw/zinc/60/21/48/1019602148.db2.gz MEQJEIAGBUSOEA-HXUWFJFHSA-N 0 3 340.492 3.730 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419458038 1020652012 /nfs/dbraw/zinc/65/20/12/1020652012.db2.gz YIPQEZSZWNIBTC-QZTJIDSGSA-N 0 3 335.536 3.883 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC(CC)(CC)c3ccccc32)CC1 ZINC000506503252 1021207249 /nfs/dbraw/zinc/20/72/49/1021207249.db2.gz HYYQUORJQQXQME-UHFFFAOYSA-N 0 3 341.499 3.924 20 30 EHEDHN COc1cc(OC)cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430629575 1021325048 /nfs/dbraw/zinc/32/50/48/1021325048.db2.gz OUUBUUFXJUKEGI-AWEZNQCLSA-N 0 3 344.436 3.948 20 30 EHEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729475476 1021478834 /nfs/dbraw/zinc/47/88/34/1021478834.db2.gz VQHZCBKAFYCDDQ-DYVFJYSZSA-N 0 3 341.480 3.983 20 30 EHEDHN CSc1ccc([C@@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000439480396 1021488733 /nfs/dbraw/zinc/48/87/33/1021488733.db2.gz XPESPNRFGDIDFT-HBUWYVDXSA-N 0 3 333.501 3.502 20 30 EHEDHN CCCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543862247 1021515368 /nfs/dbraw/zinc/51/53/68/1021515368.db2.gz KVXMBEDTIHJZAR-CVEARBPZSA-N 0 3 335.451 3.791 20 30 EHEDHN CC1(C#N)CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000506037470 1021750903 /nfs/dbraw/zinc/75/09/03/1021750903.db2.gz TVGTTWQNOFYBLM-UHFFFAOYSA-N 0 3 330.819 3.558 20 30 EHEDHN CCOc1ccc2c(c1)[C@@H](N[C@H](C)CC1(C#N)CCOCC1)CCO2 ZINC000602616399 1033010519 /nfs/dbraw/zinc/01/05/19/1033010519.db2.gz NYCMIOPJJSWDDI-QAPCUYQASA-N 0 3 344.455 3.597 20 30 EHEDHN C=CCN(CCC(=O)N(C)c1ccccc1)Cc1ccc(OC)cc1 ZINC000441167379 1022027486 /nfs/dbraw/zinc/02/74/86/1022027486.db2.gz LZAGYGADNJQVHX-UHFFFAOYSA-N 0 3 338.451 3.736 20 30 EHEDHN C=CCN(CCc1ccc2c(c1)CCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000441282738 1022114226 /nfs/dbraw/zinc/11/42/26/1022114226.db2.gz XTUQCNCTWWOEFN-UHFFFAOYSA-N 0 3 338.407 3.760 20 30 EHEDHN CN(C)Cc1ccc(-c2noc(-c3ccc(C#N)c(Cl)c3)n2)cc1 ZINC000548299056 1022153022 /nfs/dbraw/zinc/15/30/22/1022153022.db2.gz GWPJNNSCQXSLLQ-UHFFFAOYSA-N 0 3 338.798 3.990 20 30 EHEDHN C=CCCC1(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000341556323 1022309203 /nfs/dbraw/zinc/30/92/03/1022309203.db2.gz YLYNKHFTIDAPQL-KRWDZBQOSA-N 0 3 332.513 3.874 20 30 EHEDHN C=C(C)CN(CC)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458896442 1022447532 /nfs/dbraw/zinc/44/75/32/1022447532.db2.gz OHDLOZWKCFQCRI-KRWDZBQOSA-N 0 3 335.517 3.619 20 30 EHEDHN C=C(C)CN(CC)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458896443 1022448046 /nfs/dbraw/zinc/44/80/46/1022448046.db2.gz OHDLOZWKCFQCRI-QGZVFWFLSA-N 0 3 335.517 3.619 20 30 EHEDHN CCCc1noc2nc(CC)cc(C(=O)N[C@H]3CCCN(CC)C3)c12 ZINC000328662610 1022458066 /nfs/dbraw/zinc/45/80/66/1022458066.db2.gz XKOJFBGSOYDLLC-AWEZNQCLSA-N 0 3 344.459 3.527 20 30 EHEDHN C[C@@H](CCC#N)CN(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000602671855 1033052592 /nfs/dbraw/zinc/05/25/92/1033052592.db2.gz KVAICGJYPLVRDZ-SFHVURJKSA-N 0 3 349.478 3.764 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000614546793 1022470209 /nfs/dbraw/zinc/47/02/09/1022470209.db2.gz FJGRZVTUMRDILJ-INIZCTEOSA-N 0 3 339.483 3.780 20 30 EHEDHN O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)NC1(c2ccccc2)CCC1 ZINC000328930359 1022550022 /nfs/dbraw/zinc/55/00/22/1022550022.db2.gz ZAGVPIDMQLODKR-VQIMIIECSA-N 0 3 341.455 3.509 20 30 EHEDHN C[C@@H](c1ccccc1F)N(C)CCC(=O)Nc1ccccc1C#N ZINC000165179032 1033102687 /nfs/dbraw/zinc/10/26/87/1033102687.db2.gz CWUBMAQGQSOOPR-AWEZNQCLSA-N 0 3 325.387 3.719 20 30 EHEDHN C=C(CNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)c1ccccc1 ZINC000509572751 1023070074 /nfs/dbraw/zinc/07/00/74/1023070074.db2.gz VSDREWOILYHVRP-WMZOPIPTSA-N 0 3 341.455 3.721 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@]2(c3cccc(C)c3)C[C@H]2CC)CC1 ZINC000507185024 1023168097 /nfs/dbraw/zinc/16/80/97/1023168097.db2.gz YDXQBRKVFTTYTE-DYESRHJHSA-N 0 3 341.499 3.570 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@]2(c3cccc(C)c3)C[C@@H]2CC)CC1 ZINC000507185027 1023168230 /nfs/dbraw/zinc/16/82/30/1023168230.db2.gz YDXQBRKVFTTYTE-UWJYYQICSA-N 0 3 341.499 3.570 20 30 EHEDHN CCN(Cc1ccc2c(c1)oc(=O)n2C)[C@@H](C)c1ccc(C#N)cc1 ZINC000507334731 1023243674 /nfs/dbraw/zinc/24/36/74/1023243674.db2.gz RQIBVQBBMHQMIZ-AWEZNQCLSA-N 0 3 335.407 3.586 20 30 EHEDHN C=CCOCCN[C@H](c1ccc(Br)cc1F)C1CC1 ZINC000684556968 1023303753 /nfs/dbraw/zinc/30/37/53/1023303753.db2.gz JLSJYFRHIJEWQQ-HNNXBMFYSA-N 0 3 328.225 3.832 20 30 EHEDHN C[C@H]1c2ccsc2CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000063247183 1033143127 /nfs/dbraw/zinc/14/31/27/1033143127.db2.gz DGIPLJAMIDFZLS-ZDUSSCGKSA-N 0 3 325.437 3.568 20 30 EHEDHN CN(C)c1nc2cc(NC(=O)[C@H]3CCCN3C3CCCC3)ccc2[nH]1 ZINC000329811644 1024204865 /nfs/dbraw/zinc/20/48/65/1024204865.db2.gz BXOMTTMDAOMFOX-QGZVFWFLSA-N 0 3 341.459 3.624 20 30 EHEDHN Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(N2CCOCC2)c1 ZINC000538394558 1024328065 /nfs/dbraw/zinc/32/80/65/1024328065.db2.gz FQBCFTNAZCFIEV-QGZVFWFLSA-N 0 3 335.451 3.554 20 30 EHEDHN C=CCC[C@@H](NCC(=O)N(C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000342188932 1024361175 /nfs/dbraw/zinc/36/11/75/1024361175.db2.gz DQLWWTCLNVJSFG-MRXNPFEDSA-N 0 3 340.389 3.923 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000114527292 1024630288 /nfs/dbraw/zinc/63/02/88/1024630288.db2.gz ZKYMIIRWEFTFGF-HXUWFJFHSA-N 0 3 331.504 3.559 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3F)C2)c(F)c1 ZINC000536499269 1024739156 /nfs/dbraw/zinc/73/91/56/1024739156.db2.gz SKEOGMQXAHRXKH-MRXNPFEDSA-N 0 3 327.378 3.595 20 30 EHEDHN CCCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC1CC1 ZINC000114724054 1024753974 /nfs/dbraw/zinc/75/39/74/1024753974.db2.gz RSPIGBVORXZGMX-HNNXBMFYSA-N 0 3 345.512 3.999 20 30 EHEDHN C=CCn1cc(CN[C@H]2CC=C(c3ccc(Cl)cc3)CC2)nn1 ZINC000425360523 1024845700 /nfs/dbraw/zinc/84/57/00/1024845700.db2.gz XOAXKMVELHZMOK-KRWDZBQOSA-N 0 3 328.847 3.843 20 30 EHEDHN C=CCC1(O)CCN(Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC000895827641 1024864489 /nfs/dbraw/zinc/86/44/89/1024864489.db2.gz OZJRDFANRQDTQE-UHFFFAOYSA-N 0 3 339.483 3.701 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(OCCC)c(OCC)c2)CC1 ZINC000895835725 1024902340 /nfs/dbraw/zinc/90/23/40/1024902340.db2.gz MVJYWGSORYPJPH-UHFFFAOYSA-N 0 3 333.472 3.777 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000428044058 1024955763 /nfs/dbraw/zinc/95/57/63/1024955763.db2.gz IZRYPUAQPHKGKT-HKUYNNGSSA-N 0 3 330.447 3.605 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(F)cccc1Br ZINC000435747366 1025108683 /nfs/dbraw/zinc/10/86/83/1025108683.db2.gz HKEMKFIXZJPJDV-ABAIWWIYSA-N 0 3 328.225 3.659 20 30 EHEDHN CCOCCOCc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000443979852 1025133179 /nfs/dbraw/zinc/13/31/79/1025133179.db2.gz PKJHMFGLKNOQOD-UHFFFAOYSA-N 0 3 338.451 3.710 20 30 EHEDHN N#C[C@H]1CC[C@H](NCc2cc(Br)ccc2OC(F)F)C1 ZINC000472156214 1025203889 /nfs/dbraw/zinc/20/38/89/1025203889.db2.gz LLTARVAXTXXEEK-CABZTGNLSA-N 0 3 345.187 3.832 20 30 EHEDHN C=CCCn1cc(CN[C@H](C)Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000657336888 1025272577 /nfs/dbraw/zinc/27/25/77/1025272577.db2.gz ZPVRUYPAPJBJPS-CYBMUJFWSA-N 0 3 338.377 3.594 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000425532445 1025659500 /nfs/dbraw/zinc/65/95/00/1025659500.db2.gz BSPHURISBCWZBB-KDOFPFPSSA-N 0 3 344.842 3.644 20 30 EHEDHN C=CCOc1cccc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000443007533 1025660193 /nfs/dbraw/zinc/66/01/93/1025660193.db2.gz PCZIXHHBWBCJCY-HXUWFJFHSA-N 0 3 342.483 3.665 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)CC1 ZINC000179316279 1025680717 /nfs/dbraw/zinc/68/07/17/1025680717.db2.gz DLKNBXXQMZRARN-KRWDZBQOSA-N 0 3 343.515 3.691 20 30 EHEDHN Clc1cccc(C#CCN2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000425548689 1025721605 /nfs/dbraw/zinc/72/16/05/1025721605.db2.gz GRAAOHIPJVALFC-IBGZPJMESA-N 0 3 329.871 3.973 20 30 EHEDHN Cc1cc(C(C#N)C(=O)c2cncc(-c3ccccc3)c2)nc(C)n1 ZINC000342517505 1026032071 /nfs/dbraw/zinc/03/20/71/1026032071.db2.gz VQJYSKWKMWEBAP-SFHVURJKSA-N 0 3 328.375 3.646 20 30 EHEDHN C=CCCC1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000475319025 1026462787 /nfs/dbraw/zinc/46/27/87/1026462787.db2.gz PLUPTLTWMZYMBJ-LJQANCHMSA-N 0 3 326.484 3.904 20 30 EHEDHN C=CCOc1cccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375409363 1026488858 /nfs/dbraw/zinc/48/88/58/1026488858.db2.gz SSLDHXCBJTVUKB-INIZCTEOSA-N 0 3 325.412 3.501 20 30 EHEDHN C=CCC1(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)CCCCC1 ZINC000452188240 1026554746 /nfs/dbraw/zinc/55/47/46/1026554746.db2.gz CCKKDAOYNKYLLY-IBGZPJMESA-N 0 3 342.483 3.718 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)CC1 ZINC000121296229 1026618047 /nfs/dbraw/zinc/61/80/47/1026618047.db2.gz XJYBWUHGHVIZRM-IBGZPJMESA-N 0 3 346.902 3.889 20 30 EHEDHN C=C(C)CN1CCC(Nc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000301183349 1026714477 /nfs/dbraw/zinc/71/44/77/1026714477.db2.gz ISCYIKCDTKZOQN-UHFFFAOYSA-N 0 3 332.835 3.842 20 30 EHEDHN N#Cc1ccccc1OC1CCC(NCc2ccn(C(F)F)n2)CC1 ZINC000346685798 1027138935 /nfs/dbraw/zinc/13/89/35/1027138935.db2.gz IZAZKZIEIOXUMP-UHFFFAOYSA-N 0 3 346.381 3.630 20 30 EHEDHN N#Cc1ccc(CN2CCN(CC3CCC(F)(F)CC3)CC2)cc1 ZINC000459301287 1027426223 /nfs/dbraw/zinc/42/62/23/1027426223.db2.gz CMMKIVVYSPWFHB-UHFFFAOYSA-N 0 3 333.426 3.501 20 30 EHEDHN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)CCCC2 ZINC000501749121 1027508570 /nfs/dbraw/zinc/50/85/70/1027508570.db2.gz JKCOUNSOSRWMBA-HNNXBMFYSA-N 0 3 333.435 3.726 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3[nH]c(C)cc3c2)CC1 ZINC000106325993 1027699770 /nfs/dbraw/zinc/69/97/70/1027699770.db2.gz MQBLOLCAJORXCR-UHFFFAOYSA-N 0 3 326.444 3.638 20 30 EHEDHN N#Cc1ccc(CNC(=O)CN[C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000532713566 1028436708 /nfs/dbraw/zinc/43/67/08/1028436708.db2.gz CEXKGEHEDRCXQW-QFIPXVFZSA-N 0 3 347.462 3.696 20 30 EHEDHN COc1ccccc1[C@@H](CNc1ccc(C#N)cn1)N1CCCCC1 ZINC000079948236 1028759490 /nfs/dbraw/zinc/75/94/90/1028759490.db2.gz NMASNXMNCZUEQX-GOSISDBHSA-N 0 3 336.439 3.601 20 30 EHEDHN COCCN(CCOc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000524042294 1028779847 /nfs/dbraw/zinc/77/98/47/1028779847.db2.gz AYSSMRDLKUBLCB-UHFFFAOYSA-N 0 3 344.842 3.739 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000424093057 1028796408 /nfs/dbraw/zinc/79/64/08/1028796408.db2.gz QMOJYVWUZNQZDH-HNNXBMFYSA-N 0 3 340.254 3.506 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](c2ccccc2)CC1 ZINC000524071135 1028811180 /nfs/dbraw/zinc/81/11/80/1028811180.db2.gz MFIGKGHBCZQBHO-LMNJBCLMSA-N 0 3 341.499 3.699 20 30 EHEDHN Cc1ccccc1CNc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424178775 1028852729 /nfs/dbraw/zinc/85/27/29/1028852729.db2.gz XJNSNEAZWZJMRS-QGZVFWFLSA-N 0 3 336.439 3.567 20 30 EHEDHN C=CCn1cc(CN[C@H](CCc2ccccc2)Cc2ccccc2)nn1 ZINC000424297690 1028937904 /nfs/dbraw/zinc/93/79/04/1028937904.db2.gz RBBWXPGDERROIU-OAQYLSRUSA-N 0 3 346.478 3.798 20 30 EHEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000454535951 1029041128 /nfs/dbraw/zinc/04/11/28/1029041128.db2.gz FYMULWMHCFGGRC-QUCCMNQESA-N 0 3 341.499 3.520 20 30 EHEDHN N#CC(C(=O)c1ccc2c(n1)CCCC2)c1ccc(C(F)(F)F)cn1 ZINC000533086961 1029311621 /nfs/dbraw/zinc/31/16/21/1029311621.db2.gz MFVDOVPATZAQMX-ZDUSSCGKSA-N 0 3 345.324 3.864 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCCC(C)(C)C1 ZINC000446066954 1029360783 /nfs/dbraw/zinc/36/07/83/1029360783.db2.gz NLDRRXXSMGQTFT-QGZVFWFLSA-N 0 3 327.472 3.834 20 30 EHEDHN Cc1ccc(-c2noc(CCCN3CCC(C)(C#N)CC3)n2)cc1F ZINC000272532480 1029499713 /nfs/dbraw/zinc/49/97/13/1029499713.db2.gz IODCSKDQGAWSBE-UHFFFAOYSA-N 0 3 342.418 3.742 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CC(C)(C)C)c1 ZINC000533278923 1029559551 /nfs/dbraw/zinc/55/95/51/1029559551.db2.gz DFKFSSSEHUBHDH-KRWDZBQOSA-N 0 3 329.488 3.917 20 30 EHEDHN Cc1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2Cl)N(C)C)cc1 ZINC000508705439 1029768021 /nfs/dbraw/zinc/76/80/21/1029768021.db2.gz CPJPWOFKJHKLRC-GOSISDBHSA-N 0 3 341.842 3.553 20 30 EHEDHN CCC1(CC)CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000446716406 1029770187 /nfs/dbraw/zinc/77/01/87/1029770187.db2.gz IOKOPKKSEKOSKL-INIZCTEOSA-N 0 3 345.462 3.973 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1F ZINC000593062352 1030319395 /nfs/dbraw/zinc/31/93/95/1030319395.db2.gz BLEVUYWGWIURDD-SFHVURJKSA-N 0 3 325.387 3.767 20 30 EHEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OC[C@@H]2CCOC2)c1 ZINC000447586838 1030321123 /nfs/dbraw/zinc/32/11/23/1030321123.db2.gz PBBNZGATOMDPPO-ZHALLVOQSA-N 0 3 328.456 3.582 20 30 EHEDHN Fc1ccc(C#CCN2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000121864063 1030381622 /nfs/dbraw/zinc/38/16/22/1030381622.db2.gz PZTLJGZURUJHAO-UHFFFAOYSA-N 0 3 333.410 3.933 20 30 EHEDHN CN(CCOc1ccccc1C(C)(C)C)Cc1cc(C#N)n(C)c1 ZINC000482450388 1030433846 /nfs/dbraw/zinc/43/38/46/1030433846.db2.gz JDCMAEPDTVYUBS-UHFFFAOYSA-N 0 3 325.456 3.705 20 30 EHEDHN C[C@H](C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)N1CCCCCC1 ZINC000075535726 1030440838 /nfs/dbraw/zinc/44/08/38/1030440838.db2.gz BWBSCGYGVZXDIO-YZGWKJHDSA-N 0 3 339.483 3.549 20 30 EHEDHN COc1ccccc1[C@@H](CNc1nc(C)ccc1C#N)N1CCCC1 ZINC000160320345 1030682427 /nfs/dbraw/zinc/68/24/27/1030682427.db2.gz XSDPIWMFVGYLEF-GOSISDBHSA-N 0 3 336.439 3.519 20 30 EHEDHN N#Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1Cl ZINC000482782518 1030716424 /nfs/dbraw/zinc/71/64/24/1030716424.db2.gz YNDCDQGTMRFVKG-UHFFFAOYSA-N 0 3 346.862 3.694 20 30 EHEDHN N#CCc1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000343438266 1030890688 /nfs/dbraw/zinc/89/06/88/1030890688.db2.gz YNHVZYWCWNSPOX-UHFFFAOYSA-N 0 3 348.450 3.539 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC1CCC1 ZINC000483131670 1030991977 /nfs/dbraw/zinc/99/19/77/1030991977.db2.gz CFEWEXNZOJAQNX-OAHLLOKOSA-N 0 3 345.512 3.999 20 30 EHEDHN Cn1cc2ccc(CNCc3cccc(OCCCC#N)c3)cc2n1 ZINC000527764649 1031185827 /nfs/dbraw/zinc/18/58/27/1031185827.db2.gz WPDGTFPLOMKJIY-UHFFFAOYSA-N 0 3 334.423 3.546 20 30 EHEDHN COCc1ccc(NC2CCN(CCC(F)(F)F)CC2)cc1C#N ZINC000527764761 1031188377 /nfs/dbraw/zinc/18/83/77/1031188377.db2.gz SJAVPOHGZTVVPB-UHFFFAOYSA-N 0 3 341.377 3.533 20 30 EHEDHN COCc1cccc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527812251 1031250364 /nfs/dbraw/zinc/25/03/64/1031250364.db2.gz ROJPOROBZLIPQW-UHFFFAOYSA-N 0 3 336.435 3.500 20 30 EHEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000477192426 1031324147 /nfs/dbraw/zinc/32/41/47/1031324147.db2.gz UOOIANLXAIXVON-SFHLNBCPSA-N 0 3 341.499 3.699 20 30 EHEDHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCC#Cc1ccccc1 ZINC000484071554 1031442099 /nfs/dbraw/zinc/44/20/99/1031442099.db2.gz UBWOTMUQXYZMDZ-UHFFFAOYSA-N 0 3 348.368 3.899 20 30 EHEDHN CC(C)Oc1cccc([C@H](C)NCc2cnc3ccc(C#N)cn23)c1 ZINC000551787647 1031657243 /nfs/dbraw/zinc/65/72/43/1031657243.db2.gz KDXMNCNWOVZUFX-HNNXBMFYSA-N 0 3 334.423 3.844 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1c1ccsc1 ZINC000052803452 1031710708 /nfs/dbraw/zinc/71/07/08/1031710708.db2.gz OTFJGNMJOFDSON-AWEZNQCLSA-N 0 3 331.466 3.847 20 30 EHEDHN C[C@H]1[C@H](NC(=O)Nc2cccc(CC#N)c2)CCN1Cc1ccccc1 ZINC000455904026 1031754079 /nfs/dbraw/zinc/75/40/79/1031754079.db2.gz JFPRWGKNMFVVEB-OXJNMPFZSA-N 0 3 348.450 3.537 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)c3ccccc3n2)CC1 ZINC000449850873 1033319232 /nfs/dbraw/zinc/31/92/32/1033319232.db2.gz UBBZYFUAVRRGGS-UHFFFAOYSA-N 0 3 343.858 3.659 20 30 EHEDHN N#CCc1cccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000455946643 1033336597 /nfs/dbraw/zinc/33/65/97/1033336597.db2.gz NJMKZQUITYTRBI-HXUWFJFHSA-N 0 3 348.450 3.711 20 30 EHEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cc(F)cc(C#N)c1)c1ccco1 ZINC000603070707 1033358772 /nfs/dbraw/zinc/35/87/72/1033358772.db2.gz RWVRDEVVBMXYMJ-MLGOLLRUSA-N 0 3 344.390 3.541 20 30 EHEDHN Cc1c(CSC(C)C)cccc1NC(=O)[C@H](N)CCCCC#N ZINC000594433990 1033368430 /nfs/dbraw/zinc/36/84/30/1033368430.db2.gz VYKAEFYSHGHGNB-MRXNPFEDSA-N 0 3 333.501 3.986 20 30 EHEDHN CC(C)C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594432523 1033369058 /nfs/dbraw/zinc/36/90/58/1033369058.db2.gz CJGUDPJZUWZCKE-DLBZAZTESA-N 0 3 335.879 3.955 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000594433533 1033370604 /nfs/dbraw/zinc/37/06/04/1033370604.db2.gz GOKXDAPWOXOGQG-APWZRJJASA-N 0 3 338.455 3.633 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000594433891 1033370761 /nfs/dbraw/zinc/37/07/61/1033370761.db2.gz IPVLWGKXRBVPRA-QGZVFWFLSA-N 0 3 345.512 3.619 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000594434103 1033370928 /nfs/dbraw/zinc/37/09/28/1033370928.db2.gz KTEBMFILBQTMKE-OFAQMXQXSA-N 0 3 340.452 3.663 20 30 EHEDHN Cc1ccccc1C1(CNC(=O)[C@H](N)CCCCC#N)CCCCC1 ZINC000594436472 1033371385 /nfs/dbraw/zinc/37/13/85/1033371385.db2.gz JLYKEVQMXPRILL-LJQANCHMSA-N 0 3 341.499 3.724 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000594434102 1033373084 /nfs/dbraw/zinc/37/30/84/1033373084.db2.gz KTEBMFILBQTMKE-BLIJAFNYSA-N 0 3 340.452 3.663 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000594442449 1033373599 /nfs/dbraw/zinc/37/35/99/1033373599.db2.gz GJEANERSNSDSDQ-VQTJNVASSA-N 0 3 341.499 3.802 20 30 EHEDHN CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594452707 1033381989 /nfs/dbraw/zinc/38/19/89/1033381989.db2.gz HUBYAKKBRQEGFR-RBUKOAKNSA-N 0 3 327.472 3.885 20 30 EHEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cc(F)c(Cl)cc1Cl ZINC000594425304 1033388675 /nfs/dbraw/zinc/38/86/75/1033388675.db2.gz HIPKLXVEGKZFMH-YMTOWFKASA-N 0 3 346.233 3.721 20 30 EHEDHN N#CC1(Cc2cn([C@@H]3CCN(Cc4ccccc4)C3)nn2)CCCCC1 ZINC000594649852 1033471905 /nfs/dbraw/zinc/47/19/05/1033471905.db2.gz OKHDUAPYUCMABF-HXUWFJFHSA-N 0 3 349.482 3.742 20 30 EHEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000594915704 1033544360 /nfs/dbraw/zinc/54/43/60/1033544360.db2.gz BJAYYSYAPCWYRD-OAHLLOKOSA-N 0 3 334.419 3.864 20 30 EHEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000594922370 1033546819 /nfs/dbraw/zinc/54/68/19/1033546819.db2.gz FLJMXFXOJZXDDJ-CYBMUJFWSA-N 0 3 332.407 3.674 20 30 EHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(C(=O)N(C)C)c1 ZINC000063750345 1033668430 /nfs/dbraw/zinc/66/84/30/1033668430.db2.gz YAIIAESKPBBLAO-UHFFFAOYSA-N 0 3 335.451 3.671 20 30 EHEDHN Cc1csc([C@H](C)NC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000599056301 1033697127 /nfs/dbraw/zinc/69/71/27/1033697127.db2.gz WPVRLKPMIOUCMF-HNNXBMFYSA-N 0 3 340.496 3.638 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC000595257729 1033724207 /nfs/dbraw/zinc/72/42/07/1033724207.db2.gz VMVDSHXUICXGMX-HXUWFJFHSA-N 0 3 341.499 3.804 20 30 EHEDHN Cc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1C#N ZINC000599354533 1033889628 /nfs/dbraw/zinc/88/96/28/1033889628.db2.gz PVSUYZLZOYQLJG-OAQYLSRUSA-N 0 3 334.419 3.879 20 30 EHEDHN CC[C@H]1Oc2cc([C@H](C)NCc3ccc(C)c(C#N)c3)ccc2NC1=O ZINC000599356937 1033889668 /nfs/dbraw/zinc/88/96/68/1033889668.db2.gz PADHURGJRHBTHB-IFXJQAMLSA-N 0 3 349.434 3.827 20 30 EHEDHN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(C)c(C#N)c3)ccc2NC1=O ZINC000599356938 1033889936 /nfs/dbraw/zinc/88/99/36/1033889936.db2.gz PADHURGJRHBTHB-KUHUBIRLSA-N 0 3 349.434 3.827 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594307784 1033916139 /nfs/dbraw/zinc/91/61/39/1033916139.db2.gz OARUWRYESQPDLV-MRXNPFEDSA-N 0 3 335.451 3.746 20 30 EHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Nc1cccc(C#N)c1 ZINC000059748323 1033928518 /nfs/dbraw/zinc/92/85/18/1033928518.db2.gz OZQRCEYEAKSKRS-QUCCMNQESA-N 0 3 346.434 3.707 20 30 EHEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000595657743 1033936961 /nfs/dbraw/zinc/93/69/61/1033936961.db2.gz BPUFUJJIKQSTBS-ROUUACIJSA-N 0 3 325.456 3.610 20 30 EHEDHN N#CCSCCCN1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711495 1033956612 /nfs/dbraw/zinc/95/66/12/1033956612.db2.gz HIWVOWCAPCDUMO-UHFFFAOYSA-N 0 3 329.494 3.815 20 30 EHEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)C1(F)F ZINC000599514387 1033977318 /nfs/dbraw/zinc/97/73/18/1033977318.db2.gz HJHNGRZMRJPUIB-ZIAGYGMSSA-N 0 3 344.409 3.682 20 30 EHEDHN COc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)c2ccccc2n1 ZINC000174582373 1033984977 /nfs/dbraw/zinc/98/49/77/1033984977.db2.gz CQTGAKDXMUNOJZ-HNNXBMFYSA-N 0 3 347.418 3.824 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CC2CC1(c1ccccc1)C2 ZINC000595909661 1034029994 /nfs/dbraw/zinc/02/99/94/1034029994.db2.gz BAOKEHJJMHOXPN-UHFFFAOYSA-N 0 3 334.419 3.567 20 30 EHEDHN CCN(CC)c1ccc(/C=N\[C@@H](C)C(=O)Nc2ccccc2)c(O)c1 ZINC000255661788 1034055363 /nfs/dbraw/zinc/05/53/63/1034055363.db2.gz ALOHIQKOVVXZBD-JTMDUIFQSA-N 0 3 339.439 3.685 20 30 EHEDHN CC[C@@H](C)N[C@H](CNc1nc2ncccc2cc1C#N)c1ccco1 ZINC000596231603 1034128577 /nfs/dbraw/zinc/12/85/77/1034128577.db2.gz QQDIIQVNBNBHMK-CZUORRHYSA-N 0 3 335.411 3.636 20 30 EHEDHN C=C(C)CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000456127044 1034150310 /nfs/dbraw/zinc/15/03/10/1034150310.db2.gz YMGANPGSRKLLGK-QGZVFWFLSA-N 0 3 340.389 3.523 20 30 EHEDHN CCC(C#N)(CC)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000599942638 1034252045 /nfs/dbraw/zinc/25/20/45/1034252045.db2.gz WDYXJDILKJXXLG-GOSISDBHSA-N 0 3 345.487 3.523 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000596894130 1034430169 /nfs/dbraw/zinc/43/01/69/1034430169.db2.gz HHJMHLZHWXWEGL-PKOBYXMFSA-N 0 3 339.483 3.802 20 30 EHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000343810130 1034539479 /nfs/dbraw/zinc/53/94/79/1034539479.db2.gz KGDCOMCLQFKXBF-HNNXBMFYSA-N 0 3 333.435 3.952 20 30 EHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCc2ccccc2NC1=O ZINC000594512817 1034595316 /nfs/dbraw/zinc/59/53/16/1034595316.db2.gz RTLMTIMPMXBXJZ-NHCUHLMSSA-N 0 3 345.446 3.869 20 30 EHEDHN CC(=O)Nc1ccc(CN2CCC(Nc3ccc(C#N)cc3)CC2)cc1 ZINC000450784701 1034784703 /nfs/dbraw/zinc/78/47/03/1034784703.db2.gz KMGPIVNSTSYHSV-UHFFFAOYSA-N 0 3 348.450 3.593 20 30 EHEDHN C[C@@H](CC#N)C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000597491151 1034784584 /nfs/dbraw/zinc/78/45/84/1034784584.db2.gz AUURUDKDQZVNFW-GUYCJALGSA-N 0 3 349.425 3.546 20 30 EHEDHN C=CCCCN(C)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000605740749 1034822178 /nfs/dbraw/zinc/82/21/78/1034822178.db2.gz XBYLRIFGUILQRH-IBGZPJMESA-N 0 3 328.481 3.852 20 30 EHEDHN Cc1ccccc1C1(CNCc2cccc(F)c2C#N)CCOCC1 ZINC000602009169 1034858199 /nfs/dbraw/zinc/85/81/99/1034858199.db2.gz WYYCHOZGZYVCOX-UHFFFAOYSA-N 0 3 338.426 3.844 20 30 EHEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCCC1 ZINC000450878051 1034904836 /nfs/dbraw/zinc/90/48/36/1034904836.db2.gz LTAMFXLKFQIORA-OALUTQOASA-N 0 3 341.499 3.669 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000162252452 1035015682 /nfs/dbraw/zinc/01/56/82/1035015682.db2.gz YSUWJIURSAVGLB-JXFKEZNVSA-N 0 3 348.450 3.509 20 30 EHEDHN CN(c1ccccc1)C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000065957148 1035030740 /nfs/dbraw/zinc/03/07/40/1035030740.db2.gz KBNSMXHFTBDVLL-UHFFFAOYSA-N 0 3 335.451 3.538 20 30 EHEDHN C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1cnn(C)c1 ZINC000278799692 1035112894 /nfs/dbraw/zinc/11/28/94/1035112894.db2.gz ONSBYSWZIUEUEV-SFHVURJKSA-N 0 3 344.462 3.971 20 30 EHEDHN Cc1cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1F ZINC000180038154 1035250309 /nfs/dbraw/zinc/25/03/09/1035250309.db2.gz PBBGYQQIGDGTGS-UHFFFAOYSA-N 0 3 334.398 3.696 20 30 EHEDHN N#Cc1cc(CN[C@@H]2c3ccccc3CC23CCOCC3)ccc1F ZINC000290184105 1035767921 /nfs/dbraw/zinc/76/79/21/1035767921.db2.gz RGMUCYPIELOONR-HXUWFJFHSA-N 0 3 336.410 3.881 20 30 EHEDHN Cc1cc(CNCc2ccc(NC(=O)NC(C)C)cc2)ccc1C#N ZINC000443961294 1035974466 /nfs/dbraw/zinc/97/44/66/1035974466.db2.gz HRVFMISAHXGTAV-UHFFFAOYSA-N 0 3 336.439 3.686 20 30 EHEDHN COc1ccc(CNCc2ccc(C#N)c(C)c2)cc1Br ZINC000443961680 1035979614 /nfs/dbraw/zinc/97/96/14/1035979614.db2.gz PWKKULLBBYOHFS-UHFFFAOYSA-N 0 3 345.240 3.928 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccccc1F)Cc1cccc(C#N)c1 ZINC000063300297 1036041851 /nfs/dbraw/zinc/04/18/51/1036041851.db2.gz XQCLFQDPLBDVMH-UHFFFAOYSA-N 0 3 337.398 3.714 20 30 EHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000464536659 1036545163 /nfs/dbraw/zinc/54/51/63/1036545163.db2.gz CNINQOGVSZRFRB-PXNSSMCTSA-N 0 3 328.500 3.788 20 30 EHEDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Br ZINC000452055291 1036821836 /nfs/dbraw/zinc/82/18/36/1036821836.db2.gz ROMMPCPUIZDQLJ-HZPDHXFCSA-N 0 3 337.261 3.758 20 30 EHEDHN COc1ccc(-c2csc(CNCc3cc(C#N)n(C)c3)c2)cc1 ZINC000191271148 1036835755 /nfs/dbraw/zinc/83/57/55/1036835755.db2.gz FKTLGNSBFFRYGA-UHFFFAOYSA-N 0 3 337.448 3.924 20 30 EHEDHN N#Cc1nc(N[C@@H](CN2CCCC2)c2ccccc2)sc1Cl ZINC000590571501 1036954101 /nfs/dbraw/zinc/95/41/01/1036954101.db2.gz PYZGSEQHZGBRLL-AWEZNQCLSA-N 0 3 332.860 3.917 20 30 EHEDHN CCOCCOCc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000271822346 1037384430 /nfs/dbraw/zinc/38/44/30/1037384430.db2.gz CPDYUXRLZLSSPA-QGZVFWFLSA-N 0 3 338.451 3.962 20 30 EHEDHN COC(=O)C1(c2ccccc2)CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000491389540 1037427551 /nfs/dbraw/zinc/42/75/51/1037427551.db2.gz ODFYCJXUWUXBSZ-KRWDZBQOSA-N 0 3 348.446 3.826 20 30 EHEDHN Cc1ccccc1[C@@H](NC(=O)[C@@H](N)CCCC#N)C1CCC(C)CC1 ZINC000591608330 1037527956 /nfs/dbraw/zinc/52/79/56/1037527956.db2.gz AIFFNPJXYJEBOS-YHZLUUAOSA-N 0 3 341.499 4.000 20 30 EHEDHN C=CCCc1ccccc1NC1CCN(CCCC(=O)OC)CC1 ZINC000462904376 1037536184 /nfs/dbraw/zinc/53/61/84/1037536184.db2.gz UEBKPVBZCGSPPO-UHFFFAOYSA-N 0 3 330.472 3.635 20 30 EHEDHN C=CCc1ccc(OC[C@@H](O)CN[C@H](C)c2ccsc2)c(OC)c1 ZINC000669939667 1037677368 /nfs/dbraw/zinc/67/73/68/1037677368.db2.gz YBCOWFPKSVZBBC-PBHICJAKSA-N 0 3 347.480 3.576 20 30 EHEDHN C#C[C@@H](NC1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000491776474 1037684312 /nfs/dbraw/zinc/68/43/12/1037684312.db2.gz WDVWAARQNRWKIE-GOSISDBHSA-N 0 3 325.843 3.668 20 30 EHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000532583170 1037700881 /nfs/dbraw/zinc/70/08/81/1037700881.db2.gz XYEOPHXFQAIHQQ-AWEZNQCLSA-N 0 3 335.423 3.541 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CCC)Cc2ccccc2F)CC1 ZINC000592302019 1037913397 /nfs/dbraw/zinc/91/33/97/1037913397.db2.gz REDFDNQVMFQSSX-UHFFFAOYSA-N 0 3 347.478 3.788 20 30 EHEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OC[C@H]2CCCO2)c1 ZINC000463242425 1037927433 /nfs/dbraw/zinc/92/74/33/1037927433.db2.gz MAFACOGPGJHMOL-QXAKKESOSA-N 0 3 328.456 3.725 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-c3ccc[nH]3)cc2)CC1 ZINC000540449976 1037948556 /nfs/dbraw/zinc/94/85/56/1037948556.db2.gz LIMSEEUNEHIREO-UHFFFAOYSA-N 0 3 338.455 3.844 20 30 EHEDHN CCn1c2ccccc2c2cc(CN3CC[C@](O)(CC#N)C3)ccc21 ZINC000592522409 1038022088 /nfs/dbraw/zinc/02/20/88/1038022088.db2.gz AURLZCATTLAYQT-OAQYLSRUSA-N 0 3 333.435 3.665 20 30 EHEDHN N#CC[C@@]1(O)CCN(Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000592524719 1038025281 /nfs/dbraw/zinc/02/52/81/1038025281.db2.gz ZMRXNSLHZCPKHP-JOCHJYFZSA-N 0 3 345.446 3.540 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(Cl)c(C)c2)CC1 ZINC000463339848 1038062947 /nfs/dbraw/zinc/06/29/47/1038062947.db2.gz KPAVFZJFQXMFMR-UHFFFAOYSA-N 0 3 349.906 3.531 20 30 EHEDHN COc1ccc(CN[C@H](CCC#N)c2ccccc2)c(O)c1OC ZINC000893193931 1038392907 /nfs/dbraw/zinc/39/29/07/1038392907.db2.gz BMRFKXUOCSJVHH-MRXNPFEDSA-N 0 3 326.396 3.544 20 30 EHEDHN C=CCNC(=O)CN[C@H](CCc1ccccc1Cl)c1ccccc1 ZINC000538580706 1038402979 /nfs/dbraw/zinc/40/29/79/1038402979.db2.gz FLONHXVYLMAKSO-LJQANCHMSA-N 0 3 342.870 3.906 20 30 EHEDHN CCc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000461729805 1038590622 /nfs/dbraw/zinc/59/06/22/1038590622.db2.gz JXRUTUWHPZCIER-IIBYNOLFSA-N 0 3 349.478 3.643 20 30 EHEDHN CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc21 ZINC000378452276 1038637211 /nfs/dbraw/zinc/63/72/11/1038637211.db2.gz LFKYEICXUJZXCX-FOIQADDNSA-N 0 3 349.434 3.737 20 30 EHEDHN Cc1ccccc1[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485257688 1038821370 /nfs/dbraw/zinc/82/13/70/1038821370.db2.gz GJRXDYBOIPPPDD-OXQOHEQNSA-N 0 3 333.435 3.713 20 30 EHEDHN C=CCn1cccc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000488091129 1038841732 /nfs/dbraw/zinc/84/17/32/1038841732.db2.gz PLVWMAPZSFULBX-AWEZNQCLSA-N 0 3 334.404 3.683 20 30 EHEDHN C=CCn1cccc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000488091129 1038841759 /nfs/dbraw/zinc/84/17/59/1038841759.db2.gz PLVWMAPZSFULBX-AWEZNQCLSA-N 0 3 334.404 3.683 20 30 EHEDHN CC(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000185585629 1039149398 /nfs/dbraw/zinc/14/93/98/1039149398.db2.gz KXVACUGEIJJUPS-WMZOPIPTSA-N 0 3 344.455 3.531 20 30 EHEDHN C=C(CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000488470014 1039211903 /nfs/dbraw/zinc/21/19/03/1039211903.db2.gz OOCKCHQENMJYHT-FQEVSTJZSA-N 0 3 337.467 3.610 20 30 EHEDHN C=C1CCC(CNCc2snc(OC)c2Br)CC1 ZINC000724455759 1039213124 /nfs/dbraw/zinc/21/31/24/1039213124.db2.gz ZYZZFCBMNWPTFO-UHFFFAOYSA-N 0 3 331.279 3.750 20 30 EHEDHN C=CCC(C)(C)CNCc1cc(O)c(OC)cc1Br ZINC000570189538 1039267282 /nfs/dbraw/zinc/26/72/82/1039267282.db2.gz XEOXSBNYURFLJJ-UHFFFAOYSA-N 0 3 328.250 3.855 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000911632658 1039442732 /nfs/dbraw/zinc/44/27/32/1039442732.db2.gz IPKKWFIMPNBUPF-LBPRGKRZSA-N 0 3 347.381 3.822 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2nc3ccccc3cc2C2CC2)CC1 ZINC000906592020 1039647240 /nfs/dbraw/zinc/64/72/40/1039647240.db2.gz JJRJZKQBHZJLGO-UHFFFAOYSA-N 0 3 349.478 3.883 20 30 EHEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000912155552 1039723380 /nfs/dbraw/zinc/72/33/80/1039723380.db2.gz LMWQNSQCCLYLJT-CQSZACIVSA-N 0 3 349.525 3.522 20 30 EHEDHN C[C@H](NC(=O)[C@]1(C#N)CC2CCC1CC2)[C@H](c1ccccc1)N(C)C ZINC000907446787 1040063095 /nfs/dbraw/zinc/06/30/95/1040063095.db2.gz KGIVCBGJPVQWHX-URLZKEIRSA-N 0 3 339.483 3.514 20 30 EHEDHN C[C@H](NCCc1nc2c(s1)CCCC2)c1ccc(C#N)cc1F ZINC000512619697 1040299349 /nfs/dbraw/zinc/29/93/49/1040299349.db2.gz MQSJIZUJVWLNBQ-LBPRGKRZSA-N 0 3 329.444 3.926 20 30 EHEDHN C[C@@H](NCCc1nc2c(s1)CCCC2)c1ccc(C#N)cc1F ZINC000512619693 1040300880 /nfs/dbraw/zinc/30/08/80/1040300880.db2.gz MQSJIZUJVWLNBQ-GFCCVEGCSA-N 0 3 329.444 3.926 20 30 EHEDHN COc1cccc(OCCCN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512636996 1040366133 /nfs/dbraw/zinc/36/61/33/1040366133.db2.gz QMLVMTWKLMIOFR-AWEZNQCLSA-N 0 3 328.387 3.826 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000433008605 1040441136 /nfs/dbraw/zinc/44/11/36/1040441136.db2.gz DSNAQUWIVPQGOH-LJQANCHMSA-N 0 3 332.407 3.522 20 30 EHEDHN C[C@H](C1CC1)N(C(=O)CN[C@@H](CCCC#N)c1ccccc1)C1CC1 ZINC000433012904 1040469793 /nfs/dbraw/zinc/46/97/93/1040469793.db2.gz MDLFTEPRQWSOIZ-UZLBHIALSA-N 0 3 339.483 3.801 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000433030918 1040508028 /nfs/dbraw/zinc/50/80/28/1040508028.db2.gz LODRFQPIXROHMJ-SFHVURJKSA-N 0 3 325.387 3.789 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1ccccc1F)c1ccccc1 ZINC000433035071 1040532129 /nfs/dbraw/zinc/53/21/29/1040532129.db2.gz KMNMPJLTKZVGCX-QGZVFWFLSA-N 0 3 325.387 3.789 20 30 EHEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000925675314 1040953968 /nfs/dbraw/zinc/95/39/68/1040953968.db2.gz VQZMRBJJFCGLCA-ISTRZQFTSA-N 0 3 333.863 3.530 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnnn1-c1c(C)cccc1C ZINC000661118363 1041952411 /nfs/dbraw/zinc/95/24/11/1041952411.db2.gz ZKMFKXWYRROZNE-SJORKVTESA-N 0 3 325.460 3.504 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000662083278 1042500982 /nfs/dbraw/zinc/50/09/82/1042500982.db2.gz BAEBSLZJLRMSRT-BMFZPTHFSA-N 0 3 334.410 3.667 20 30 EHEDHN CN(C)[C@@H]1CCOc2c(Nc3cc(C#N)sc3[N+](=O)[O-])cccc21 ZINC000893576113 1042731250 /nfs/dbraw/zinc/73/12/50/1042731250.db2.gz NIUWQACTJZAAGA-CQSZACIVSA-N 0 3 344.396 3.657 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000344861823 1044538787 /nfs/dbraw/zinc/53/87/87/1044538787.db2.gz ZRUBKKOWOZXASS-INIZCTEOSA-N 0 3 325.412 3.501 20 30 EHEDHN CCOC[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000154852063 1125761102 /nfs/dbraw/zinc/76/11/02/1125761102.db2.gz MRJLOBFKQZMQDY-INIZCTEOSA-N 0 3 341.373 3.685 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN2CCC3(CCOCC3)CC2)cc1 ZINC000671251981 1126819251 /nfs/dbraw/zinc/81/92/51/1126819251.db2.gz KGXAAOJPBBAPTM-UHFFFAOYSA-N 0 3 337.385 3.950 20 30 EHEDHN C=CCN1CCC(NC(=O)NCc2c(Cl)oc3ccccc32)CC1 ZINC000623634890 1126998543 /nfs/dbraw/zinc/99/85/43/1126998543.db2.gz DZXUJPGWXYXHGY-UHFFFAOYSA-N 0 3 347.846 3.536 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000181061649 1127265593 /nfs/dbraw/zinc/26/55/93/1127265593.db2.gz NBQXFIVYFLWAQU-KDOFPFPSSA-N 0 3 333.451 3.511 20 30 EHEDHN CCCC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(OC)cc1 ZINC000182143644 1127314265 /nfs/dbraw/zinc/31/42/65/1127314265.db2.gz BPXBUIVGGRPDAQ-ICSRJNTNSA-N 0 3 345.487 3.571 20 30 EHEDHN CC[C@H](NCC(=O)NC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000182602775 1127338597 /nfs/dbraw/zinc/33/85/97/1127338597.db2.gz PFWYMDZHBXBBIW-INIZCTEOSA-N 0 3 333.863 3.723 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)CC1 ZINC000172384056 1127931208 /nfs/dbraw/zinc/93/12/08/1127931208.db2.gz OKDFVVLTSJRSOW-ROUUACIJSA-N 0 3 341.499 3.533 20 30 EHEDHN COc1cc(CN2CCC[C@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000282214198 1128087506 /nfs/dbraw/zinc/08/75/06/1128087506.db2.gz HNVLOPBDFQTPJY-IRXDYDNUSA-N 0 3 342.464 3.716 20 30 EHEDHN N#Cc1cc2c(nc1N1CCCN(Cc3ccccc3)CC1)CCCC2 ZINC000301085379 1128572611 /nfs/dbraw/zinc/57/26/11/1128572611.db2.gz KWWFTGPMXPRVRQ-UHFFFAOYSA-N 0 3 346.478 3.544 20 30 EHEDHN COc1cccc([C@@H](CNc2ccc3cc(C#N)ccc3n2)N(C)C)c1 ZINC000301817129 1128606233 /nfs/dbraw/zinc/60/62/33/1128606233.db2.gz JWVXVAWGFRVZBH-HXUWFJFHSA-N 0 3 346.434 3.830 20 30 EHEDHN Cc1ccc2nccc(NC3CCN(c4ccc(C#N)cn4)CC3)c2c1 ZINC000302140428 1128622420 /nfs/dbraw/zinc/62/24/20/1128622420.db2.gz DOWADVLDPBAMRQ-UHFFFAOYSA-N 0 3 343.434 3.891 20 30 EHEDHN CN(C)[C@@H](CNc1ncccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000302225665 1128627433 /nfs/dbraw/zinc/62/74/33/1128627433.db2.gz RVOANYJBGXWLJL-HNNXBMFYSA-N 0 3 334.345 3.687 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3c(c2)C[C@H](C)O3)c1 ZINC000921744007 1128718154 /nfs/dbraw/zinc/71/81/54/1128718154.db2.gz UAWSVEOKZTWLRC-KXBFYZLASA-N 0 3 336.435 3.981 20 30 EHEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000765928648 1128759557 /nfs/dbraw/zinc/75/95/57/1128759557.db2.gz YOBLIYWSGZQCOP-UXLLHSPISA-N 0 3 345.462 3.520 20 30 EHEDHN CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000075997282 1128896743 /nfs/dbraw/zinc/89/67/43/1128896743.db2.gz WLIQXEPACZJARS-KRWDZBQOSA-N 0 3 342.830 3.636 20 30 EHEDHN COCCOc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272178332 1120439904 /nfs/dbraw/zinc/43/99/04/1120439904.db2.gz FJHVWNUZUBZSQO-MRXNPFEDSA-N 0 3 336.435 3.923 20 30 EHEDHN C=CCC1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCC1 ZINC000190991637 1120657615 /nfs/dbraw/zinc/65/76/15/1120657615.db2.gz BBAZEGMPOHNPFB-UHFFFAOYSA-N 0 3 340.511 3.900 20 30 EHEDHN CN(CCn1cccn1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191490786 1120675432 /nfs/dbraw/zinc/67/54/32/1120675432.db2.gz VDRXZKVFAJAWBN-UHFFFAOYSA-N 0 3 344.462 3.715 20 30 EHEDHN C[C@@H](C/N=C\c1cc(Cl)ccc1O)N1CCc2ccccc2C1 ZINC000914558318 1120896487 /nfs/dbraw/zinc/89/64/87/1120896487.db2.gz SUUNOUSNKUZWAU-HKMXWPIPSA-N 0 3 328.843 3.911 20 30 EHEDHN CC[C@H](C/N=C/c1c(O)cccc1OC)N1CCc2ccccc2C1 ZINC000914701906 1120955802 /nfs/dbraw/zinc/95/58/02/1120955802.db2.gz RCHGNPXLVYNZAU-SDLXJUDFSA-N 0 3 338.451 3.657 20 30 EHEDHN C[C@H](C/N=C/c1cc(Br)ccc1[O-])[N@@H+]1CCCC[C@H]1C ZINC000915271169 1121291778 /nfs/dbraw/zinc/29/17/78/1121291778.db2.gz MVUDYKOVJMUXQG-JHIOMVTJSA-N 0 3 339.277 3.837 20 30 EHEDHN C[C@H](C/N=C/c1cc(Br)ccc1[O-])[N@H+]1CCCC[C@H]1C ZINC000915271169 1121291783 /nfs/dbraw/zinc/29/17/83/1121291783.db2.gz MVUDYKOVJMUXQG-JHIOMVTJSA-N 0 3 339.277 3.837 20 30 EHEDHN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(CCCC#N)CC1 ZINC000495971828 1121591216 /nfs/dbraw/zinc/59/12/16/1121591216.db2.gz SXDSRDFPILEAJH-INIZCTEOSA-N 0 3 335.492 3.648 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1ccsc1 ZINC000077265656 1129004976 /nfs/dbraw/zinc/00/49/76/1129004976.db2.gz XXILKHIPNORSTH-INIZCTEOSA-N 0 3 328.437 3.844 20 30 EHEDHN COc1ccc(C(C)=NNc2ccc(C#N)cc2)cc1CN1CCCC1 ZINC000915962985 1122009096 /nfs/dbraw/zinc/00/90/96/1122009096.db2.gz RRTCHMGFXYYELL-UHFFFAOYSA-N 0 3 348.450 3.999 20 30 EHEDHN COc1ccc(C(C)=NNCc2ccccc2)cc1CN1CCCC1 ZINC000916343840 1122131240 /nfs/dbraw/zinc/13/12/40/1122131240.db2.gz JKUGOVIVLGCPMT-UHFFFAOYSA-N 0 3 337.467 3.805 20 30 EHEDHN Cc1ccc(CN(C)CC(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000916641971 1122237073 /nfs/dbraw/zinc/23/70/73/1122237073.db2.gz MGFSXYSCXRDMQN-INIZCTEOSA-N 0 3 349.459 3.913 20 30 EHEDHN Cc1cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1C#N ZINC000488151078 1122237330 /nfs/dbraw/zinc/23/73/30/1122237330.db2.gz OUTJIEFYKFEGGH-NRFANRHFSA-N 0 3 334.419 3.879 20 30 EHEDHN C=C[C@H](CC(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC000124782717 1122296249 /nfs/dbraw/zinc/29/62/49/1122296249.db2.gz NPZNBFZRPANHEZ-TZIWHRDSSA-N 0 3 336.479 3.635 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCCCCCC2)c1C ZINC000916984986 1122429396 /nfs/dbraw/zinc/42/93/96/1122429396.db2.gz NJSLBGNIZOVKBQ-UHFFFAOYSA-N 0 3 327.472 3.816 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@]2(C)Cc2cccs2)CC1 ZINC000917142181 1122535922 /nfs/dbraw/zinc/53/59/22/1122535922.db2.gz UALSVVQUUCQLKR-IBGZPJMESA-N 0 3 347.528 3.505 20 30 EHEDHN C=CCN(Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12)C(C)C ZINC000917166743 1122542645 /nfs/dbraw/zinc/54/26/45/1122542645.db2.gz DODPACJNROOXJK-UHFFFAOYSA-N 0 3 344.411 3.758 20 30 EHEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)C1=O ZINC000499608938 1129077462 /nfs/dbraw/zinc/07/74/62/1129077462.db2.gz WXNXRNPPWXGEGW-MGPUTAFESA-N 0 3 338.426 3.930 20 30 EHEDHN CCc1ccc([C@@H](C/N=C\c2cc(OC)ccc2O)N(C)C)cc1 ZINC000920945245 1123441321 /nfs/dbraw/zinc/44/13/21/1123441321.db2.gz TVWIATDIOLACPG-UOIFGXKSSA-N 0 3 326.440 3.685 20 30 EHEDHN CC(C)c1ccc(C(C)(C)NCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000609358475 1123561833 /nfs/dbraw/zinc/56/18/33/1123561833.db2.gz JPUJKCLGCIHGNE-UHFFFAOYSA-N 0 3 349.478 3.823 20 30 EHEDHN CCOC(=O)N(C)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135178935 1123589265 /nfs/dbraw/zinc/58/92/65/1123589265.db2.gz WDVVTDPNHNPZQN-UHFFFAOYSA-N 0 3 343.471 3.540 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000237606356 1123789313 /nfs/dbraw/zinc/78/93/13/1123789313.db2.gz JTSVPOLXYFSTIQ-HUUCEWRRSA-N 0 3 338.407 3.599 20 30 EHEDHN CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(F)ccc2[O-])ccc1OC ZINC000180710988 1124059174 /nfs/dbraw/zinc/05/91/74/1124059174.db2.gz ZZQDRGUXDZJORW-MRXNPFEDSA-N 0 3 344.386 3.511 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCc2ccccc21 ZINC000734704510 1131268167 /nfs/dbraw/zinc/26/81/67/1131268167.db2.gz RXDPQXQXZUPWIE-DOTOQJQBSA-N 0 3 329.403 3.870 20 30 EHEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000619755714 1125395263 /nfs/dbraw/zinc/39/52/63/1125395263.db2.gz QDCDXTFMGVRXBI-LBPRGKRZSA-N 0 3 328.799 3.834 20 30 EHEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000619755602 1125395298 /nfs/dbraw/zinc/39/52/98/1125395298.db2.gz MZFPENBIOAPOTL-LBPRGKRZSA-N 0 3 339.826 3.947 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000466378397 1129409573 /nfs/dbraw/zinc/40/95/73/1129409573.db2.gz LYYHTDRWPKZPQL-IEBWSBKVSA-N 0 3 329.488 3.647 20 30 EHEDHN C=CCCO[C@H](C)C(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000347713750 1129471220 /nfs/dbraw/zinc/47/12/20/1129471220.db2.gz UFPKOKPJPKNWTK-GGPKGHCWSA-N 0 3 344.499 3.652 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCOCc3ccccc3)nc21 ZINC000735787619 1131379716 /nfs/dbraw/zinc/37/97/16/1131379716.db2.gz CWZBLYKBALJTAR-INIZCTEOSA-N 0 3 333.391 3.655 20 30 EHEDHN N#CC(C(=O)CCc1cccc(Br)c1)c1ccccn1 ZINC000123431148 1129527796 /nfs/dbraw/zinc/52/77/96/1129527796.db2.gz VTDIOYCXDZOCHM-CQSZACIVSA-N 0 3 329.197 3.653 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CSc4ccccc43)nc21 ZINC000735792601 1131380814 /nfs/dbraw/zinc/38/08/14/1131380814.db2.gz MYZNVUXXTAENCV-UONOGXRCSA-N 0 3 333.416 3.937 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CSc4ccccc43)[nH]c21 ZINC000735792601 1131380819 /nfs/dbraw/zinc/38/08/19/1131380819.db2.gz MYZNVUXXTAENCV-UONOGXRCSA-N 0 3 333.416 3.937 20 30 EHEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168729271 1129587717 /nfs/dbraw/zinc/58/77/17/1129587717.db2.gz AHAOLEQWLPEOMA-UWVAXJGDSA-N 0 3 347.886 3.633 20 30 EHEDHN N#Cc1csc(CN(CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000093741368 1129601320 /nfs/dbraw/zinc/60/13/20/1129601320.db2.gz OZIXYDRYIBPLBV-IBGZPJMESA-N 0 3 326.465 3.882 20 30 EHEDHN Cc1ccc(CNCc2ccc(OC[C@@H]3CCCO3)cc2)cc1C#N ZINC000922759112 1129653333 /nfs/dbraw/zinc/65/33/33/1129653333.db2.gz LQCJEEVEEFFDBZ-NRFANRHFSA-N 0 3 336.435 3.714 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000729976786 1130661417 /nfs/dbraw/zinc/66/14/17/1130661417.db2.gz AKOBOXAAYDRAAT-UHFFFAOYSA-N 0 3 332.447 3.638 20 30 EHEDHN CO[C@](C)(C(=O)C(C#N)c1ccc2ccccc2n1)c1ccccc1 ZINC000730394634 1130704949 /nfs/dbraw/zinc/70/49/49/1130704949.db2.gz JUAPZAUCJIXOOG-UTKZUKDTSA-N 0 3 330.387 3.973 20 30 EHEDHN C=CCN(C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(C)C ZINC000732072907 1130883530 /nfs/dbraw/zinc/88/35/30/1130883530.db2.gz SEIYQQBEZUAMQY-SFHVURJKSA-N 0 3 328.500 3.753 20 30 EHEDHN CSCC[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736319126 1131416351 /nfs/dbraw/zinc/41/63/51/1131416351.db2.gz USFYFHKYYCQQTC-QWHCGFSZSA-N 0 3 347.509 3.546 20 30 EHEDHN N#Cc1ccc(-c2cccc(CNCc3cccc(C(N)=O)c3)c2)s1 ZINC000740011641 1131514680 /nfs/dbraw/zinc/51/46/80/1131514680.db2.gz PQHWIOFBVOOHCR-UHFFFAOYSA-N 0 3 347.443 3.675 20 30 EHEDHN N#Cc1ccc(-c2cccc(CNCc3ccc(C(N)=O)cc3)c2)s1 ZINC000740014629 1131519899 /nfs/dbraw/zinc/51/98/99/1131519899.db2.gz SYTXNUPNJATMEX-UHFFFAOYSA-N 0 3 347.443 3.675 20 30 EHEDHN C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H]1C ZINC000741790740 1131648406 /nfs/dbraw/zinc/64/84/06/1131648406.db2.gz LBQGNKZJGTZCRQ-RDBSUJKOSA-N 0 3 327.453 3.593 20 30 EHEDHN C[C@H](CCCC#N)N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001172498702 1131759572 /nfs/dbraw/zinc/75/95/72/1131759572.db2.gz NHFSZRIBSIFKOR-XLIONFOSSA-N 0 3 329.463 3.948 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CCc3sccc32)C[C@H]1C#N ZINC001172977197 1131924033 /nfs/dbraw/zinc/92/40/33/1131924033.db2.gz AEXMOJVELZPSSB-IPYPFGDCSA-N 0 3 347.484 3.617 20 30 EHEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2cc(Cl)ccc2OCC#N)C1(C)C ZINC000752073998 1131959541 /nfs/dbraw/zinc/95/95/41/1131959541.db2.gz AMDRSFJNJFWVQH-AEFFLSMTSA-N 0 3 336.863 3.878 20 30 EHEDHN CC[C@@]1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744421260 1132086520 /nfs/dbraw/zinc/08/65/20/1132086520.db2.gz YPKGHJBTIWPICF-LIRRHRJNSA-N 0 3 341.480 3.985 20 30 EHEDHN C[C@H]1CN(C2CCC(C)(C#N)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001173597962 1132100657 /nfs/dbraw/zinc/10/06/57/1132100657.db2.gz KIHOOWDHJUORRU-RXDZZFBJSA-N 0 3 335.492 3.789 20 30 EHEDHN C[C@@H]1C[C@@H](NCc2ccc(Cl)c(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001168840398 1132578717 /nfs/dbraw/zinc/57/87/17/1132578717.db2.gz VCWKKAAJCPHHHZ-IUODEOHRSA-N 0 3 349.862 3.699 20 30 EHEDHN CCN1CCN(c2ccc(Nc3c(F)cc(C#N)cc3F)cc2)CC1 ZINC001175781733 1132765495 /nfs/dbraw/zinc/76/54/95/1132765495.db2.gz YYJXEEVRZWSSAT-UHFFFAOYSA-N 0 3 342.393 3.722 20 30 EHEDHN N#Cc1cc2ccc(N3CCCc4ccc(CN)nc43)cc2cc1C#N ZINC001169591180 1132789957 /nfs/dbraw/zinc/78/99/57/1132789957.db2.gz UAISFDOCEOQCJV-UHFFFAOYSA-N 0 3 339.402 3.521 20 30 EHEDHN C[C@@]1(Cc2cccs2)CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC001176665008 1132978970 /nfs/dbraw/zinc/97/89/70/1132978970.db2.gz PSMWFEPHBSCZOV-IBGZPJMESA-N 0 3 339.464 3.655 20 30 EHEDHN CS[C@H](C)CCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000773767339 1133194731 /nfs/dbraw/zinc/19/47/31/1133194731.db2.gz CBLDVBWTSWWXMH-MWLCHTKSSA-N 0 3 342.823 3.658 20 30 EHEDHN N#Cc1ccccc1N1CCN(CCCCCOc2ccccc2)CC1 ZINC001180546648 1133390933 /nfs/dbraw/zinc/39/09/33/1133390933.db2.gz OVUVGQRDIVHORD-UHFFFAOYSA-N 0 3 349.478 3.930 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000774299219 1133654411 /nfs/dbraw/zinc/65/44/11/1133654411.db2.gz DTZUHTWYHHMFEG-DFBGVHRSSA-N 0 3 346.780 3.762 20 30 EHEDHN O=C(OCC#Cc1ccc(F)cc1)c1cccc(CN2CCCC2)c1 ZINC000785707870 1133746305 /nfs/dbraw/zinc/74/63/05/1133746305.db2.gz BVDFJOBLLACGHO-UHFFFAOYSA-N 0 3 337.394 3.630 20 30 EHEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001182959798 1133751429 /nfs/dbraw/zinc/75/14/29/1133751429.db2.gz UFYQVAGSWAWRBC-YLJYHZDGSA-N 0 3 347.462 3.568 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCOCC2)cc1 ZINC000786314964 1133836440 /nfs/dbraw/zinc/83/64/40/1133836440.db2.gz OEBFHETYDBCTSZ-QILLFSRXSA-N 0 3 342.439 3.664 20 30 EHEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786546325 1133872606 /nfs/dbraw/zinc/87/26/06/1133872606.db2.gz IAXMZFKDOZTZGM-AEFFLSMTSA-N 0 3 328.456 3.927 20 30 EHEDHN CN(CCn1ccc(-c2ccc(C#N)cc2)n1)Cc1ccc(F)cc1 ZINC000786743613 1133894795 /nfs/dbraw/zinc/89/47/95/1133894795.db2.gz JHDDNANUNLHMJJ-UHFFFAOYSA-N 0 3 334.398 3.693 20 30 EHEDHN CCCCC[C@@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787062040 1133952494 /nfs/dbraw/zinc/95/24/94/1133952494.db2.gz UTGNQAKDULBVSK-AEFFLSMTSA-N 0 3 328.456 3.960 20 30 EHEDHN C=CCN1CCC(Nc2cc(SCc3ccccc3)ncn2)CC1 ZINC001185314141 1134068497 /nfs/dbraw/zinc/06/84/97/1134068497.db2.gz QJFXIVZWFKCENC-UHFFFAOYSA-N 0 3 340.496 3.831 20 30 EHEDHN C#CCC1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCCCC1 ZINC000788151122 1134088454 /nfs/dbraw/zinc/08/84/54/1134088454.db2.gz DZCHWYSUJAHUKF-QGZVFWFLSA-N 0 3 344.524 3.975 20 30 EHEDHN COc1cc(C(C)=N[N-]c2[nH+]ccn2C)ccc1SC(F)F ZINC000790300320 1134398964 /nfs/dbraw/zinc/39/89/64/1134398964.db2.gz UECIFESBRUGNTB-UHFFFAOYSA-N 0 3 326.372 3.580 20 30 EHEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC3(CN(C)C3)CC2)c1 ZINC001189267690 1134564898 /nfs/dbraw/zinc/56/48/98/1134564898.db2.gz BEXVOAIIRRLZLA-UHFFFAOYSA-N 0 3 341.499 3.692 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2(OC)CCC2)cc1 ZINC000791773152 1134599426 /nfs/dbraw/zinc/59/94/26/1134599426.db2.gz ITTINUDIKUHQAZ-YOEHRIQHSA-N 0 3 342.439 3.807 20 30 EHEDHN N#CC1(c2ccccc2)CCC(N2CCC[C@@]3(CCC(=O)O3)C2)CC1 ZINC001170396298 1134764383 /nfs/dbraw/zinc/76/43/83/1134764383.db2.gz WKAKNPWIAWENEK-DQVLVPHSSA-N 0 3 338.451 3.562 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCC(=O)c4ccccc43)nc21 ZINC000793153415 1134864075 /nfs/dbraw/zinc/86/40/75/1134864075.db2.gz DRCVDPWDXZZWMF-CVEARBPZSA-N 0 3 343.386 3.808 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CCC(=O)c4ccccc43)[nH]c21 ZINC000793153415 1134864084 /nfs/dbraw/zinc/86/40/84/1134864084.db2.gz DRCVDPWDXZZWMF-CVEARBPZSA-N 0 3 343.386 3.808 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC001191600624 1134895040 /nfs/dbraw/zinc/89/50/40/1134895040.db2.gz HXFRQKUPWAGJBZ-AWEZNQCLSA-N 0 3 345.340 3.616 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001192489807 1135028410 /nfs/dbraw/zinc/02/84/10/1135028410.db2.gz ISHLHTPOFZEWMA-NRFANRHFSA-N 0 3 349.478 3.976 20 30 EHEDHN CCc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001192698873 1135046405 /nfs/dbraw/zinc/04/64/05/1135046405.db2.gz MOWWYWQSEDFBLN-KKSFZXQISA-N 0 3 347.462 3.967 20 30 EHEDHN C#C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1ccc(Cl)cc1F ZINC000804420404 1135064004 /nfs/dbraw/zinc/06/40/04/1135064004.db2.gz HIEOALBEYYYPEP-LKQDWFRTSA-N 0 3 336.838 3.531 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CN1CCCC[C@H]1COC(=O)NC(C)C ZINC001194125946 1135228933 /nfs/dbraw/zinc/22/89/33/1135228933.db2.gz WVGHYNOQACUWNX-SFHVURJKSA-N 0 3 343.471 3.664 20 30 EHEDHN C#CCN(CC#C)C1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001170497232 1135375555 /nfs/dbraw/zinc/37/55/55/1135375555.db2.gz PTJWQUXHPQQZET-IAGOWNOFSA-N 0 3 332.488 3.512 20 30 EHEDHN C=CC[C@H]1CCCN(CC(=O)N[C@H](CC)c2ccccc2OCC)C1 ZINC001195946086 1135497808 /nfs/dbraw/zinc/49/78/08/1135497808.db2.gz GKWHWHHEQPFUHJ-PKOBYXMFSA-N 0 3 344.499 3.941 20 30 EHEDHN CCN(C(=O)C#Cc1ccccc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000747367337 1135512631 /nfs/dbraw/zinc/51/26/31/1135512631.db2.gz CDLTXCUCBMSVSA-SIKLNZKXSA-N 0 3 346.474 3.722 20 30 EHEDHN C#CC[C@H](NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000807029817 1135513791 /nfs/dbraw/zinc/51/37/91/1135513791.db2.gz HKAQGZDUKSGORH-JRGCBEDISA-N 0 3 349.478 3.742 20 30 EHEDHN C#CCN(C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C1CCCCC1 ZINC000807403499 1135543298 /nfs/dbraw/zinc/54/32/98/1135543298.db2.gz GKGGVLFZVFLUOB-FXAWDEMLSA-N 0 3 341.499 3.655 20 30 EHEDHN C#C[C@@H](NCc1cn(-c2ccccc2)nc1-c1cccnc1)C(C)C ZINC000809685425 1135871710 /nfs/dbraw/zinc/87/17/10/1135871710.db2.gz SSZCXOBRRUUEAN-HXUWFJFHSA-N 0 3 330.435 3.682 20 30 EHEDHN C[C@@]1(COC(=O)c2cccc(C#N)n2)CCCCN1Cc1ccccc1 ZINC000810665615 1135990917 /nfs/dbraw/zinc/99/09/17/1135990917.db2.gz DKDRCXJSDWYLDD-NRFANRHFSA-N 0 3 349.434 3.555 20 30 EHEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccnc2cc(Cl)ccc12 ZINC000776184259 1136017206 /nfs/dbraw/zinc/01/72/06/1136017206.db2.gz ZWKVJFYRYFMNHI-UHFFFAOYSA-N 0 3 325.803 3.795 20 30 EHEDHN C[C@@H](NC[C@H]1COC2(CCCCCC2)O1)c1ccc(C#N)cc1F ZINC000781420323 1136163477 /nfs/dbraw/zinc/16/34/77/1136163477.db2.gz CCELUQGFMNISJU-ZBFHGGJFSA-N 0 3 332.419 3.814 20 30 EHEDHN C[C@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000781421952 1136164800 /nfs/dbraw/zinc/16/48/00/1136164800.db2.gz JCIMFFUXVZALOU-ZFWWWQNUSA-N 0 3 347.434 3.747 20 30 EHEDHN C#CCOc1ccccc1CN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000812780601 1136246371 /nfs/dbraw/zinc/24/63/71/1136246371.db2.gz KBJYULCDRFWJNI-QHCPKHFHSA-N 0 3 349.474 3.516 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000850738019 1136298506 /nfs/dbraw/zinc/29/85/06/1136298506.db2.gz BHALPRKBGGXROJ-PUECVXPYSA-N 0 3 343.377 3.965 20 30 EHEDHN CC(C)CCO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813213080 1136303192 /nfs/dbraw/zinc/30/31/92/1136303192.db2.gz HOIKQYVZKLFXAG-WCQYABFASA-N 0 3 328.334 3.728 20 30 EHEDHN C[C@@H](Oc1ccccc1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813219232 1136304830 /nfs/dbraw/zinc/30/48/30/1136304830.db2.gz YHDBHWYCPPSDMN-RISCZKNCSA-N 0 3 334.297 3.744 20 30 EHEDHN CC([C@H](OC(=O)CC1(C#N)CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000851108103 1136338355 /nfs/dbraw/zinc/33/83/55/1136338355.db2.gz JMVLOYCURGYYNU-GUYCJALGSA-N 0 3 348.374 3.939 20 30 EHEDHN Cn1c(N)nc(Cl)c1C=NN(Cc1ccccc1)c1ccccc1 ZINC000814685579 1136490783 /nfs/dbraw/zinc/49/07/83/1136490783.db2.gz KCZLZANNSWBVGL-UHFFFAOYSA-N 0 3 339.830 3.696 20 30 EHEDHN C=CCS(=O)(=O)CCNCc1sc2c(cccc2Cl)c1C ZINC000815134769 1136560613 /nfs/dbraw/zinc/56/06/13/1136560613.db2.gz IKZFCVQISWCAOO-UHFFFAOYSA-N 0 3 343.901 3.554 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CNCc2cccc(C#N)c2)ccc1OC ZINC000113347679 1136697462 /nfs/dbraw/zinc/69/74/62/1136697462.db2.gz VBUPAAVFPWECBN-GOSISDBHSA-N 0 3 335.407 3.538 20 30 EHEDHN CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccc(Cl)cc2C#N)C1 ZINC000776823068 1136708496 /nfs/dbraw/zinc/70/84/96/1136708496.db2.gz LMFLOSUHQQABSY-UKRRQHHQSA-N 0 3 349.862 3.558 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000856759620 1136807534 /nfs/dbraw/zinc/80/75/34/1136807534.db2.gz XGLWEQXIFBVLNJ-BZSNNMDCSA-N 0 3 327.472 3.608 20 30 EHEDHN Cc1ccc(COCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000857029113 1136834797 /nfs/dbraw/zinc/83/47/97/1136834797.db2.gz HTQOAIIWRVAXHS-HNNXBMFYSA-N 0 3 348.324 3.802 20 30 EHEDHN N#CCc1ccc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858048096 1136935777 /nfs/dbraw/zinc/93/57/77/1136935777.db2.gz OVZNSGPNRRCMNF-HXUWFJFHSA-N 0 3 333.435 3.678 20 30 EHEDHN N#Cc1ccc(C2(NCc3cncc4ccccc43)CCOCC2)cc1 ZINC000859883194 1137035925 /nfs/dbraw/zinc/03/59/25/1137035925.db2.gz OPVGQZFTUYRNJR-UHFFFAOYSA-N 0 3 343.430 3.902 20 30 EHEDHN CCC[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(Cl)c1 ZINC000860477111 1137062150 /nfs/dbraw/zinc/06/21/50/1137062150.db2.gz APSFZTGLOMTQBZ-DLBZAZTESA-N 0 3 346.858 3.991 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000822526811 1137062498 /nfs/dbraw/zinc/06/24/98/1137062498.db2.gz YKLPYDFNIDFGLA-HNNXBMFYSA-N 0 3 333.435 3.660 20 30 EHEDHN COc1cc(C(C)=NNc2ccnc(C)c2)ccc1SC(F)F ZINC000863158591 1137171827 /nfs/dbraw/zinc/17/18/27/1137171827.db2.gz IGEQDRYJBCTICR-UHFFFAOYSA-N 0 3 337.395 3.971 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cccc(SC(F)(F)F)c2)CC1 ZINC000863617277 1137194842 /nfs/dbraw/zinc/19/48/42/1137194842.db2.gz VWACDKCUHXOBCN-UHFFFAOYSA-N 0 3 342.386 3.582 20 30 EHEDHN COc1ccc(C(C)=NNCCC(F)(F)F)cc1CN1CCCC1 ZINC000794547799 1137198637 /nfs/dbraw/zinc/19/86/37/1137198637.db2.gz LKMOTHKXLRFVQG-UHFFFAOYSA-N 0 3 343.393 3.557 20 30 EHEDHN C#Cc1ccc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001144568036 1137311228 /nfs/dbraw/zinc/31/12/28/1137311228.db2.gz JASDURBERVEQLV-UHFFFAOYSA-N 0 3 340.467 3.501 20 30 EHEDHN COc1cccc2c1OCCC[C@@H]2NCc1ccc(OCC#N)cc1 ZINC000866294262 1137343310 /nfs/dbraw/zinc/34/33/10/1137343310.db2.gz FZJQVACDROJBKB-SFHVURJKSA-N 0 3 338.407 3.601 20 30 EHEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000103638354 1137426827 /nfs/dbraw/zinc/42/68/27/1137426827.db2.gz CVOKHJKVSODEDE-MAUKXSAKSA-N 0 3 326.440 3.728 20 30 EHEDHN C[C@H](C#N)c1cccc(C(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC001148607845 1137428522 /nfs/dbraw/zinc/42/85/22/1137428522.db2.gz RHBPCTSPLATQCY-QGZVFWFLSA-N 0 3 339.483 3.652 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000122434357 1137437145 /nfs/dbraw/zinc/43/71/45/1137437145.db2.gz YVGLBAKNOFGPGW-HNNXBMFYSA-N 0 3 326.415 3.755 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)c1cc(C)oc1C ZINC000348105521 1137441148 /nfs/dbraw/zinc/44/11/48/1137441148.db2.gz FCPRGKOWGLGXQW-MAUKXSAKSA-N 0 3 329.440 3.715 20 30 EHEDHN C=CCOc1ccccc1CN[C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348115703 1137442212 /nfs/dbraw/zinc/44/22/12/1137442212.db2.gz UYLXTUIDWRUMBT-INIZCTEOSA-N 0 3 334.423 3.683 20 30 EHEDHN N#CC(C(=O)CCc1cccc2ccccc21)C(=O)NC1CCCC1 ZINC000870158743 1137478785 /nfs/dbraw/zinc/47/87/85/1137478785.db2.gz JWHNOKBKPNTYRL-IBGZPJMESA-N 0 3 334.419 3.540 20 30 EHEDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](NCC1(C#N)CCC1)C2 ZINC001172077835 1137531021 /nfs/dbraw/zinc/53/10/21/1137531021.db2.gz JOFWLFSPKLSTQP-PHZGNYQRSA-N 0 3 333.476 3.590 20 30 EHEDHN CCOc1ccccc1N1CCN([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172309933 1137545954 /nfs/dbraw/zinc/54/59/54/1137545954.db2.gz XYMBTKSDSPNIQL-GOSISDBHSA-N 0 3 349.478 3.710 20 30 EHEDHN Cc1cc(F)c(C#N)cc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000874904166 1137625806 /nfs/dbraw/zinc/62/58/06/1137625806.db2.gz ZNDADAKYJYYITE-NWDGAFQWSA-N 0 3 344.308 3.692 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000876576128 1137656111 /nfs/dbraw/zinc/65/61/11/1137656111.db2.gz BFSCRJIPGNJTBL-MOPGFXCFSA-N 0 3 340.854 3.631 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000876589940 1137656395 /nfs/dbraw/zinc/65/63/95/1137656395.db2.gz QXXPRMBXBYYKPT-RNCFNFMXSA-N 0 3 335.662 3.983 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000876644610 1137658075 /nfs/dbraw/zinc/65/80/75/1137658075.db2.gz BILMCFGJUHIOBN-SNVBAGLBSA-N 0 3 341.889 3.897 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1sccc1C ZINC000876671240 1137658637 /nfs/dbraw/zinc/65/86/37/1137658637.db2.gz WYOJSRFNPNSFBY-HOTGVXAUSA-N 0 3 348.899 3.926 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000876885169 1137664618 /nfs/dbraw/zinc/66/46/18/1137664618.db2.gz LYHXHPJQXAQXAE-HNNXBMFYSA-N 0 3 346.887 3.595 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCCCCOCc2ccccc2)c1 ZINC000876991705 1137667213 /nfs/dbraw/zinc/66/72/13/1137667213.db2.gz SSDQULAPSISUBW-UHFFFAOYSA-N 0 3 329.831 3.693 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@@H](OCc3ccccc3)C2)cc1 ZINC001137120577 1137677579 /nfs/dbraw/zinc/67/75/79/1137677579.db2.gz UVOYSQPPHNAGIT-OAQYLSRUSA-N 0 3 336.435 3.770 20 30 EHEDHN CC(=O)[C@](C#N)(CCN1CCSC2(CCC2)CC1)c1ccccc1 ZINC000878708673 1137725903 /nfs/dbraw/zinc/72/59/03/1137725903.db2.gz VTJUYVZWYDMLCW-HXUWFJFHSA-N 0 3 342.508 3.789 20 30 EHEDHN C#CCC1(O)CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000880482304 1137779878 /nfs/dbraw/zinc/77/98/78/1137779878.db2.gz DRVJQZUGVDIKGP-UHFFFAOYSA-N 0 3 335.447 3.616 20 30 EHEDHN C=CCC[C@H](NCC(=O)Nc1ccc(C)cc1Cl)[C@H]1CCCO1 ZINC000883237819 1137849924 /nfs/dbraw/zinc/84/99/24/1137849924.db2.gz KZDKWNNRSVVENC-DLBZAZTESA-N 0 3 336.863 3.690 20 30 EHEDHN Cc1cncc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000132006356 1137862027 /nfs/dbraw/zinc/86/20/27/1137862027.db2.gz CQDNDIQUVLFXLU-AWEZNQCLSA-N 0 3 348.189 3.658 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2c(CC)cccc2CC)CC1 ZINC000106316490 1137883174 /nfs/dbraw/zinc/88/31/74/1137883174.db2.gz HKBZJICRSXSSLD-UHFFFAOYSA-N 0 3 329.488 3.973 20 30 EHEDHN CC(=O)N1CCN(CCCCC2(C#N)CCC2)CC12CCCCC2 ZINC000930140843 1137885395 /nfs/dbraw/zinc/88/53/95/1137885395.db2.gz IGMYGLFDNDUKLR-UHFFFAOYSA-N 0 3 331.504 3.718 20 30 EHEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccccc1Oc1ccccc1)C2 ZINC000884047666 1137898922 /nfs/dbraw/zinc/89/89/22/1137898922.db2.gz FTPFOWSLBPUSCL-ZGOJQLDESA-N 0 3 347.418 3.557 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000113315840 1137912553 /nfs/dbraw/zinc/91/25/53/1137912553.db2.gz UZVZXADEFTWIPQ-UHFFFAOYSA-N 0 3 348.446 3.505 20 30 EHEDHN CCCCN(C(=O)C1CC2(C1)CNC[C@H]2C#N)[C@H](C)c1ccccc1 ZINC000884148888 1137917344 /nfs/dbraw/zinc/91/73/44/1137917344.db2.gz WAHDDJFTSXIOGO-OHESCVLLSA-N 0 3 339.483 3.516 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCCN(c2ccccc2C#N)CC1 ZINC000118393253 1137933653 /nfs/dbraw/zinc/93/36/53/1137933653.db2.gz CBKVCQGHRJNTLP-QGZVFWFLSA-N 0 3 330.435 3.703 20 30 EHEDHN N#Cc1cccc(OC2CCN(C[C@@H]3CCC4(CCC4)CO3)CC2)c1 ZINC000885987785 1138030449 /nfs/dbraw/zinc/03/04/49/1138030449.db2.gz AYLKHIRKEWWORA-FQEVSTJZSA-N 0 3 340.467 3.751 20 30 EHEDHN Cc1ccc([C@H]2CSCCN2C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC000886012616 1138032143 /nfs/dbraw/zinc/03/21/43/1138032143.db2.gz LGFLUPZOKPTXGD-ZWKOTPCHSA-N 0 3 330.497 3.530 20 30 EHEDHN Cc1nc(C2CCN(CC#Cc3ccc(Cl)cc3)CC2)[nH]c1C ZINC000886659518 1138109924 /nfs/dbraw/zinc/10/99/24/1138109924.db2.gz OPCBUKYGHPYXPY-UHFFFAOYSA-N 0 3 327.859 3.911 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000078533510 1138150101 /nfs/dbraw/zinc/15/01/01/1138150101.db2.gz DDVYBHPIEBTOSS-MRXNPFEDSA-N 0 3 333.501 3.635 20 30 EHEDHN C[C@H](CC(=O)N1CCCCCC1)N[C@@H](CCC#N)c1ccccc1 ZINC000090664579 1138212450 /nfs/dbraw/zinc/21/24/50/1138212450.db2.gz SQOGYZRDKYDNDT-MJGOQNOKSA-N 0 3 327.472 3.802 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000264395867 1138500229 /nfs/dbraw/zinc/50/02/29/1138500229.db2.gz OVZUGNSWSVRXST-AWEZNQCLSA-N 0 3 335.879 3.741 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(n2c(C)ccc2C)CC1 ZINC000337692248 1138645097 /nfs/dbraw/zinc/64/50/97/1138645097.db2.gz VNRZXLHEUHNDLX-SFHVURJKSA-N 0 3 331.504 3.555 20 30 EHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3nccs3)n2)cc1 ZINC000338176971 1138775994 /nfs/dbraw/zinc/77/59/94/1138775994.db2.gz ADKJGNRYMPQTDX-LBPRGKRZSA-N 0 3 340.433 3.821 20 30 EHEDHN CC[C@@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)N(CC)CC ZINC000265512142 1138937277 /nfs/dbraw/zinc/93/72/77/1138937277.db2.gz JXIZYBHNLKVIFN-ZBFHGGJFSA-N 0 3 333.501 3.997 20 30 EHEDHN N#CCCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153244469 1139128885 /nfs/dbraw/zinc/12/88/85/1139128885.db2.gz AKVRHEQCHMJDTO-UHFFFAOYSA-N 0 3 340.298 3.847 20 30 EHEDHN CN(C)CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)C1CCCCC1 ZINC000180004846 1139800267 /nfs/dbraw/zinc/80/02/67/1139800267.db2.gz NBLYANULKPRCTH-UHFFFAOYSA-N 0 3 339.483 3.578 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)N(C)C)cc1 ZINC000180177512 1139816381 /nfs/dbraw/zinc/81/63/81/1139816381.db2.gz NIOSRCSNNFNCEY-FQEVSTJZSA-N 0 3 347.462 3.583 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180520735 1139842032 /nfs/dbraw/zinc/84/20/32/1139842032.db2.gz OYVDMCNMSYFYTD-UHFFFAOYSA-N 0 3 333.435 3.864 20 30 EHEDHN COc1cc(C)c([C@@H](C)NCc2ccc(OCC#N)cc2)cc1OC ZINC000180559479 1139846652 /nfs/dbraw/zinc/84/66/52/1139846652.db2.gz SOCVWZCJAWUDAP-OAHLLOKOSA-N 0 3 340.423 3.765 20 30 EHEDHN C[C@H](NCc1cccc(CN2CCO[C@@H](C)C2)c1)c1cccc(C#N)c1 ZINC000181573050 1139916249 /nfs/dbraw/zinc/91/62/49/1139916249.db2.gz ZQTRUBKJXLPLMV-ROUUACIJSA-N 0 3 349.478 3.630 20 30 EHEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000185841233 1140172705 /nfs/dbraw/zinc/17/27/05/1140172705.db2.gz BQBSWOPPEOMBTI-LZWOXQAQSA-N 0 3 331.847 3.507 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000187143561 1140241516 /nfs/dbraw/zinc/24/15/16/1140241516.db2.gz IONPXLOBIJLTOW-MRXNPFEDSA-N 0 3 348.450 3.905 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000268953329 1141033177 /nfs/dbraw/zinc/03/31/77/1141033177.db2.gz YCDRWPJSXUOWDM-HOTGVXAUSA-N 0 3 348.446 3.629 20 30 EHEDHN C=CCC[C@H](N[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000271642332 1141410838 /nfs/dbraw/zinc/41/08/38/1141410838.db2.gz DXFVQMHSAPXVLB-KXBFYZLASA-N 0 3 344.480 3.692 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1 ZINC000050026402 214039727 /nfs/dbraw/zinc/03/97/27/214039727.db2.gz YNTIAMFAOPWJST-UHFFFAOYSA-N 0 3 333.435 3.714 20 30 EHEDHN C=CCC[C@@H](NCc1cc(-c2nn[nH]n2)ccc1OC)c1ccccc1 ZINC000823894861 608537655 /nfs/dbraw/zinc/53/76/55/608537655.db2.gz YLHPKXNMBNXTRA-GOSISDBHSA-N 0 3 349.438 3.672 20 30 EHEDHN CC[N@H+](Cc1ccc(CC#N)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435060 609514591 /nfs/dbraw/zinc/51/45/91/609514591.db2.gz KQLHFHOZSGWTFT-HNNXBMFYSA-N 0 3 346.438 3.516 20 30 EHEDHN CC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435060 609514593 /nfs/dbraw/zinc/51/45/93/609514593.db2.gz KQLHFHOZSGWTFT-HNNXBMFYSA-N 0 3 346.438 3.516 20 30 EHEDHN CC[N@H+](Cc1ccc(CC#N)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435060 609514595 /nfs/dbraw/zinc/51/45/95/609514595.db2.gz KQLHFHOZSGWTFT-HNNXBMFYSA-N 0 3 346.438 3.516 20 30 EHEDHN CC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435060 609514597 /nfs/dbraw/zinc/51/45/97/609514597.db2.gz KQLHFHOZSGWTFT-HNNXBMFYSA-N 0 3 346.438 3.516 20 30 EHEDHN CC(C)c1csc(C(C#N)=C([O-])c2ccc(-n3cccn3)cc2)n1 ZINC000080455183 1032068801 /nfs/dbraw/zinc/06/88/01/1032068801.db2.gz MUTJGDXPICBOQF-HNNXBMFYSA-N 0 3 336.420 3.942 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(-n3cccn3)cc2)n1 ZINC000080455183 1032068812 /nfs/dbraw/zinc/06/88/12/1032068812.db2.gz MUTJGDXPICBOQF-HNNXBMFYSA-N 0 3 336.420 3.942 20 30 EHEDHN C=CCCCN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OCC ZINC001209163399 1015878556 /nfs/dbraw/zinc/87/85/56/1015878556.db2.gz DNDYYTJARWKUFI-QGZVFWFLSA-N 0 3 347.455 3.522 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000109800904 1016391874 /nfs/dbraw/zinc/39/18/74/1016391874.db2.gz ANSCTPVAJJVLOA-WOJBJXKFSA-N 0 3 327.472 3.562 20 30 EHEDHN CCO[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1SC ZINC000459487141 1032179931 /nfs/dbraw/zinc/17/99/31/1032179931.db2.gz VPBFFODHGVBBOU-OAGGEKHMSA-N 0 3 343.414 3.556 20 30 EHEDHN Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(N2CCOCC2)c1 ZINC000538394557 1032341990 /nfs/dbraw/zinc/34/19/90/1032341990.db2.gz FQBCFTNAZCFIEV-KRWDZBQOSA-N 0 3 335.451 3.554 20 30 EHEDHN COc1ccccc1-c1noc([C@@H](C)NC2CCC(C)(C#N)CC2)n1 ZINC000449279623 1032398913 /nfs/dbraw/zinc/39/89/13/1032398913.db2.gz RQETWGOYPKEKBN-VFPJAPOESA-N 0 3 340.427 3.868 20 30 EHEDHN C=CCCCC[C@H](C)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000449293714 1032434343 /nfs/dbraw/zinc/43/43/43/1032434343.db2.gz JAEJVZVOSWUGIB-WFASDCNBSA-N 0 3 339.277 3.700 20 30 EHEDHN C=C(C)C[C@H](C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000376972515 1017222613 /nfs/dbraw/zinc/22/26/13/1017222613.db2.gz RBCRQTWNWBFTCU-GRTSSRMGSA-N 0 3 332.410 3.510 20 30 EHEDHN N#CC(C(=O)c1cc(F)cc2nccnc21)c1ccc2ccccc2n1 ZINC000614467905 1019335600 /nfs/dbraw/zinc/33/56/00/1019335600.db2.gz GNCLTWFSFINBDT-HNNXBMFYSA-N 0 3 342.333 3.807 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1c1cccc2ccccc21 ZINC000513673016 1019924287 /nfs/dbraw/zinc/92/42/87/1019924287.db2.gz NUOQQTBFHRZNAV-UTKZUKDTSA-N 0 3 349.478 3.985 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCCn2nc(C)cc2C)c([O-])c1 ZINC000255226178 1019946894 /nfs/dbraw/zinc/94/68/94/1019946894.db2.gz SQJZXGGKOQKIOA-ZHZULCJRSA-N 0 3 328.460 3.561 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000126501525 1020073534 /nfs/dbraw/zinc/07/35/34/1020073534.db2.gz ZNMSKGUVUQGEPK-ROUUACIJSA-N 0 3 343.515 3.751 20 30 EHEDHN CCN(Cc1ccc2oc(=O)n(C)c2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602443755 1032892309 /nfs/dbraw/zinc/89/23/09/1032892309.db2.gz LCKWLYKHKZCANS-CQSZACIVSA-N 0 3 335.407 3.586 20 30 EHEDHN Cc1cc(C#N)ccc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000581040016 1020374811 /nfs/dbraw/zinc/37/48/11/1020374811.db2.gz MFZIBOVGLOWEGT-HXUWFJFHSA-N 0 3 336.435 3.537 20 30 EHEDHN N#Cc1ccc(OC2CCN(Cc3ccc4nccnc4c3)CC2)cc1 ZINC000602466031 1032903082 /nfs/dbraw/zinc/90/30/82/1032903082.db2.gz ULGMGOSHFIXKTD-UHFFFAOYSA-N 0 3 344.418 3.545 20 30 EHEDHN C#CCCCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000760374615 1032907092 /nfs/dbraw/zinc/90/70/92/1032907092.db2.gz WUEUEDRDQFHKBH-UHFFFAOYSA-N 0 3 338.495 3.837 20 30 EHEDHN C[C@H](CCC#N)CN1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000602487034 1032917141 /nfs/dbraw/zinc/91/71/41/1032917141.db2.gz SGOSZWWMOLKMGO-NVXWUHKLSA-N 0 3 339.439 3.567 20 30 EHEDHN C=CCOc1ccccc1CNC[C@]1(C)OCCc2sccc21 ZINC000558494911 1020771807 /nfs/dbraw/zinc/77/18/07/1020771807.db2.gz YVDSAGVQZSWTNE-IBGZPJMESA-N 0 3 329.465 3.891 20 30 EHEDHN C[C@@H](COc1ccccc1C(F)(F)F)NCc1cccc(C#N)n1 ZINC000602522579 1032936353 /nfs/dbraw/zinc/93/63/53/1032936353.db2.gz DUYIDMURFSRWLM-LBPRGKRZSA-N 0 3 335.329 3.529 20 30 EHEDHN C[C@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000276250800 1020960961 /nfs/dbraw/zinc/96/09/61/1020960961.db2.gz WEJGMUAYMGYDES-HNAYVOBHSA-N 0 3 325.456 3.533 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000602545740 1032956084 /nfs/dbraw/zinc/95/60/84/1032956084.db2.gz OQXWNPKKZFCTKZ-AEFFLSMTSA-N 0 3 347.890 3.675 20 30 EHEDHN COc1cccc(NC(=O)[C@H](NCCCCC#N)c2ccccc2)c1 ZINC000507467432 1021281043 /nfs/dbraw/zinc/28/10/43/1021281043.db2.gz KWVNAVKMVITLQA-LJQANCHMSA-N 0 3 337.423 3.658 20 30 EHEDHN COC(=O)C[C@@H](NCc1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000439434340 1021434044 /nfs/dbraw/zinc/43/40/44/1021434044.db2.gz BINFVGVWEQTOCP-QGZVFWFLSA-N 0 3 334.847 3.813 20 30 EHEDHN N#Cc1cccc(OCCN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000507717468 1021456167 /nfs/dbraw/zinc/45/61/67/1021456167.db2.gz JRPATLIGRCZRDX-OAQYLSRUSA-N 0 3 336.435 3.618 20 30 EHEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(OCC2CC2)c1 ZINC000602573861 1032983044 /nfs/dbraw/zinc/98/30/44/1032983044.db2.gz NOQPBNSKGUHTDA-QGZVFWFLSA-N 0 3 342.483 3.972 20 30 EHEDHN CSC1(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCC1 ZINC000516519488 1021508711 /nfs/dbraw/zinc/50/87/11/1021508711.db2.gz QISWNCMYUMCSQE-QGZVFWFLSA-N 0 3 349.931 3.808 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N1CC[C@H](c2ccccc2)c2ccccc21 ZINC000602597436 1032993790 /nfs/dbraw/zinc/99/37/90/1032993790.db2.gz BXVUAEMFIYAYAF-MJGOQNOKSA-N 0 3 333.435 3.576 20 30 EHEDHN C=C(C)CN(CC)Cc1ccc(Br)cc1NC(C)=O ZINC000891457759 1021685322 /nfs/dbraw/zinc/68/53/22/1021685322.db2.gz YHBWDRRDNNZCAX-UHFFFAOYSA-N 0 3 325.250 3.806 20 30 EHEDHN CCCN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000519906904 1021759540 /nfs/dbraw/zinc/75/95/40/1021759540.db2.gz AHWOQZZXKPFGJQ-OAQYLSRUSA-N 0 3 347.462 3.574 20 30 EHEDHN N#Cc1cccnc1N1CCN([C@H]2CCCCc3ccccc32)CC1 ZINC000471724777 1021857502 /nfs/dbraw/zinc/85/75/02/1021857502.db2.gz JELDFFBDEPXROD-FQEVSTJZSA-N 0 3 332.451 3.543 20 30 EHEDHN CCc1ccc(CN(Cc2cnc3c(C#N)cnn3c2)CC(C)C)cc1 ZINC000592519067 1033014084 /nfs/dbraw/zinc/01/40/84/1033014084.db2.gz JZEKCAGCTFXBGY-UHFFFAOYSA-N 0 3 347.466 3.822 20 30 EHEDHN COc1ccc(C#N)cc1CN(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000437572641 1021960643 /nfs/dbraw/zinc/96/06/43/1021960643.db2.gz WPRZWZNVEBWQIO-FQEVSTJZSA-N 0 3 335.451 3.668 20 30 EHEDHN CC(C)(CN1CCC(C#N)(c2ccccn2)CC1)Oc1ccccc1 ZINC000602650646 1033037212 /nfs/dbraw/zinc/03/72/12/1033037212.db2.gz FGZFMBFHQOSPGC-UHFFFAOYSA-N 0 3 335.451 3.796 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000517318036 1022239360 /nfs/dbraw/zinc/23/93/60/1022239360.db2.gz DBBJMPWLNBGEAA-HKUYNNGSSA-N 0 3 335.536 3.931 20 30 EHEDHN CC[C@H](NCC#Cc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000341587161 1022419652 /nfs/dbraw/zinc/41/96/52/1022419652.db2.gz INTAXHWMJZATLV-SFHVURJKSA-N 0 3 325.383 3.689 20 30 EHEDHN O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)NC1(c2ccccc2)CCC1 ZINC000328930358 1022547627 /nfs/dbraw/zinc/54/76/27/1022547627.db2.gz ZAGVPIDMQLODKR-QFBILLFUSA-N 0 3 341.455 3.509 20 30 EHEDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(Cl)c(N)c2Cl)C1 ZINC000330440864 1022591393 /nfs/dbraw/zinc/59/13/93/1022591393.db2.gz DEYYLKYFKUYKMZ-SNVBAGLBSA-N 0 3 330.259 3.612 20 30 EHEDHN CC(C)c1ccc([C@@H](C)NCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000042979352 1022626509 /nfs/dbraw/zinc/62/65/09/1022626509.db2.gz OLWTYDVXTCMPHM-MRXNPFEDSA-N 0 3 327.472 3.803 20 30 EHEDHN C[C@@H](CCC(=O)C(C#N)C(=O)NCc1ccccc1)c1ccccc1 ZINC000160147891 1023070531 /nfs/dbraw/zinc/07/05/31/1023070531.db2.gz YIQSTALEQITCGA-LPHOPBHVSA-N 0 3 334.419 3.596 20 30 EHEDHN C=C(C)COc1cc(CN2CCC[C@@](CC)(CO)C2)ccc1OC ZINC000190213376 1023179793 /nfs/dbraw/zinc/17/97/93/1023179793.db2.gz OCLXHJPDFGGFMC-HXUWFJFHSA-N 0 3 333.472 3.635 20 30 EHEDHN C=CCOc1ccc(CNC[C@H]2COc3ccccc3O2)cc1Cl ZINC000518272082 1023181383 /nfs/dbraw/zinc/18/13/83/1023181383.db2.gz ONRZRBIWRZILHJ-HNNXBMFYSA-N 0 3 345.826 3.834 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1C=CCCC1 ZINC000427115701 1023228623 /nfs/dbraw/zinc/22/86/23/1023228623.db2.gz CMZPVJWXDJDFKS-INIZCTEOSA-N 0 3 332.517 3.693 20 30 EHEDHN CC[C@@H](C)[C@@H](NCC(=O)N(CC)CCC#N)c1ccc(Cl)cc1 ZINC000341859285 1023479565 /nfs/dbraw/zinc/47/95/65/1023479565.db2.gz LRQCBVVWGFNXGP-RDTXWAMCSA-N 0 3 335.879 3.779 20 30 EHEDHN CCCN(C)[C@@H](CNC(=O)CCCCC#N)c1ccc(Cl)cc1 ZINC000594025897 1033138420 /nfs/dbraw/zinc/13/84/20/1033138420.db2.gz AQSCHEWMKSKXSC-KRWDZBQOSA-N 0 3 335.879 3.923 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCCC3)[C@H]2C(C)C)CC1 ZINC000458326738 1023939520 /nfs/dbraw/zinc/93/95/20/1023939520.db2.gz VIQAQLYCOFDKMC-GOSISDBHSA-N 0 3 333.520 3.637 20 30 EHEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434355779 1023971920 /nfs/dbraw/zinc/97/19/20/1023971920.db2.gz QHKBJPJDFKBGIK-GOSISDBHSA-N 0 3 345.462 3.540 20 30 EHEDHN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccnc(C#N)c1 ZINC000610992112 1023975053 /nfs/dbraw/zinc/97/50/53/1023975053.db2.gz AVFCWQUJPNBPIN-UHFFFAOYSA-N 0 3 349.413 3.547 20 30 EHEDHN COCc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)ccc1F ZINC000237201400 1024210203 /nfs/dbraw/zinc/21/02/03/1024210203.db2.gz GPFLQSGNEXVORJ-CQSZACIVSA-N 0 3 328.387 3.553 20 30 EHEDHN CCOc1cc(CNCc2ccc(C)c(C#N)c2)cc(Cl)c1O ZINC000896880704 1024245108 /nfs/dbraw/zinc/24/51/08/1024245108.db2.gz LVSVFUVEVFRNFW-UHFFFAOYSA-N 0 3 330.815 3.914 20 30 EHEDHN N#Cc1cccc([N+](=O)[O-])c1NC[C@H](c1cccs1)N1CCCC1 ZINC000425204117 1024439767 /nfs/dbraw/zinc/43/97/67/1024439767.db2.gz SWHFLGGNPBAEMF-OAHLLOKOSA-N 0 3 342.424 3.777 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(NC(N)=O)cc1 ZINC000346150501 1024451350 /nfs/dbraw/zinc/45/13/50/1024451350.db2.gz YJTCCIVCACRTRS-RYUDHWBXSA-N 0 3 326.375 3.600 20 30 EHEDHN Cc1ccc(C)c([C@H]2CCCN2CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000474225760 1024597798 /nfs/dbraw/zinc/59/77/98/1024597798.db2.gz ICHNXCVUKFMHHW-OAQYLSRUSA-N 0 3 347.462 3.628 20 30 EHEDHN N#CC(C(=O)c1cn2cc(Cl)cc(Cl)c2n1)c1ccccn1 ZINC000442081435 1025159057 /nfs/dbraw/zinc/15/90/57/1025159057.db2.gz CIRQCJQZRDNZRE-JTQLQIEISA-N 0 3 331.162 3.526 20 30 EHEDHN COc1ccc(CNCc2cccc(OCCCC#N)c2)cc1F ZINC000237243988 1025197619 /nfs/dbraw/zinc/19/76/19/1025197619.db2.gz RFNTXMUXJGUPLK-UHFFFAOYSA-N 0 3 328.387 3.807 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000896226312 1025260830 /nfs/dbraw/zinc/26/08/30/1025260830.db2.gz CYKCACNSKFQJRC-DOMZBBRYSA-N 0 3 342.336 3.844 20 30 EHEDHN CCN(Cc1ccc(C#N)c(OC)c1)Cc1ccc(OC)c(OC)c1 ZINC000442794494 1025488842 /nfs/dbraw/zinc/48/88/42/1025488842.db2.gz CVKGPTUKXTTZMU-UHFFFAOYSA-N 0 3 340.423 3.606 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(SC)CCOCC2)c([O-])c1 ZINC000158163851 1025542509 /nfs/dbraw/zinc/54/25/09/1025542509.db2.gz UFQPOFXRPICLOJ-CPNJWEJPSA-N 0 3 336.501 3.570 20 30 EHEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000329252411 1025698991 /nfs/dbraw/zinc/69/89/91/1025698991.db2.gz VLDIXWISQREJNN-BMGDILEWSA-N 0 3 343.471 3.576 20 30 EHEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3cncc4ccccc43)C2)nc1 ZINC000896654457 1025812896 /nfs/dbraw/zinc/81/28/96/1025812896.db2.gz LLMSHOUTUVAKGQ-LJQANCHMSA-N 0 3 343.434 3.578 20 30 EHEDHN N#Cc1c(F)cccc1N1CCN(c2ccnc3ccccc32)CC1 ZINC000521953426 1025821102 /nfs/dbraw/zinc/82/11/02/1025821102.db2.gz CCRYXYJJVKDZRB-UHFFFAOYSA-N 0 3 332.382 3.572 20 30 EHEDHN CC[C@H]1CCCC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000474907106 1025842933 /nfs/dbraw/zinc/84/29/33/1025842933.db2.gz RXSLEMDDNUIJJS-PMACEKPBSA-N 0 3 341.499 3.665 20 30 EHEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000338139798 1025928894 /nfs/dbraw/zinc/92/88/94/1025928894.db2.gz KLPINVORHANROE-KRWDZBQOSA-N 0 3 347.462 3.603 20 30 EHEDHN N#CC1(c2ccc(CN3C[C@@H]4C[C@H]3CN4c3ccccc3)cc2)CC1 ZINC000896791344 1026029143 /nfs/dbraw/zinc/02/91/43/1026029143.db2.gz CGTPBFSPWZSRHI-SFTDATJTSA-N 0 3 329.447 3.705 20 30 EHEDHN C=CCCCCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475174118 1026295765 /nfs/dbraw/zinc/29/57/65/1026295765.db2.gz KOFLUQQMLLTBPO-IBGZPJMESA-N 0 3 329.488 3.649 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000523010540 1026365588 /nfs/dbraw/zinc/36/55/88/1026365588.db2.gz JMEAEHQRWWJLOV-SOLBZPMBSA-N 0 3 330.447 3.593 20 30 EHEDHN N#CCc1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000452054792 1026467761 /nfs/dbraw/zinc/46/77/61/1026467761.db2.gz AQURSYIURXLMDJ-GOSISDBHSA-N 0 3 326.465 3.808 20 30 EHEDHN C=CCCC1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000475373167 1026529239 /nfs/dbraw/zinc/52/92/39/1026529239.db2.gz WEPMHXRURQBMGE-LJQANCHMSA-N 0 3 326.484 3.995 20 30 EHEDHN COCCCC[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342851015 1027656528 /nfs/dbraw/zinc/65/65/28/1027656528.db2.gz ZPTNWMBESOMSGY-FQEVSTJZSA-N 0 3 348.450 3.854 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCCCCC2)c1 ZINC000025408285 1028083344 /nfs/dbraw/zinc/08/33/44/1028083344.db2.gz VPFCIGMTYSYVAJ-GOSISDBHSA-N 0 3 327.472 3.815 20 30 EHEDHN C[C@@H]1CN(C)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444644364 1028109187 /nfs/dbraw/zinc/10/91/87/1028109187.db2.gz XKGVISAXZLBUNJ-LJQANCHMSA-N 0 3 333.479 3.522 20 30 EHEDHN CCCCC1CCC(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000523736193 1028579851 /nfs/dbraw/zinc/57/98/51/1028579851.db2.gz UOTYNZWZFZFOHO-GXOAENINSA-N 0 3 327.472 3.671 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000523930210 1028722422 /nfs/dbraw/zinc/72/24/22/1028722422.db2.gz KTDHSRUECSCAJA-KRWDZBQOSA-N 0 3 335.536 3.885 20 30 EHEDHN Cc1noc2nc(C(C)C)cc(C(=O)C(C#N)c3cc(C)nc(C)n3)c12 ZINC000523957799 1028742466 /nfs/dbraw/zinc/74/24/66/1028742466.db2.gz JESUVMZSFQHVQR-CQSZACIVSA-N 0 3 349.394 3.552 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccnc(N3CCCCC3)c2)cc1 ZINC000162412277 1028745612 /nfs/dbraw/zinc/74/56/12/1028745612.db2.gz BBXDEUDTTJTHIV-SFHVURJKSA-N 0 3 349.478 3.935 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000424068058 1028773888 /nfs/dbraw/zinc/77/38/88/1028773888.db2.gz YDLZOGRBAABEBZ-RTWAWAEBSA-N 0 3 349.478 3.888 20 30 EHEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000424098157 1028801168 /nfs/dbraw/zinc/80/11/68/1028801168.db2.gz CFEYLQFHTYGJKD-HNNXBMFYSA-N 0 3 335.835 3.621 20 30 EHEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000424114380 1028810478 /nfs/dbraw/zinc/81/04/78/1028810478.db2.gz QSRTXECUZAOARQ-HNAYVOBHSA-N 0 3 337.423 3.677 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000424115043 1028812716 /nfs/dbraw/zinc/81/27/16/1028812716.db2.gz SZBFSQBNGJDDGN-OALUTQOASA-N 0 3 327.472 3.835 20 30 EHEDHN Cc1ccc(-c2nc(CCNCc3ccc(C#N)cc3F)co2)cc1 ZINC000532990176 1029171096 /nfs/dbraw/zinc/17/10/96/1029171096.db2.gz LFLBMBSMXGKGKM-UHFFFAOYSA-N 0 3 335.382 3.993 20 30 EHEDHN C=CCN(CC=C)C(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000533020432 1029204149 /nfs/dbraw/zinc/20/41/49/1029204149.db2.gz GIGMGINDDPJJNI-NRFANRHFSA-N 0 3 334.463 3.761 20 30 EHEDHN C=CCCCN(C)CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000121035633 1030165312 /nfs/dbraw/zinc/16/53/12/1030165312.db2.gz WWPZWTQPFFKCSY-LJQANCHMSA-N 0 3 330.472 3.647 20 30 EHEDHN Fc1ccc(C#CCN(Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000429724877 1030379806 /nfs/dbraw/zinc/37/98/06/1030379806.db2.gz NKHHONVAVCNOQD-UHFFFAOYSA-N 0 3 341.401 3.998 20 30 EHEDHN CC(C)c1ccc2ncc(C#N)c(N3CC[C@H](N4CC=CC4)C3)c2c1 ZINC000447690372 1030425434 /nfs/dbraw/zinc/42/54/34/1030425434.db2.gz CRQNVJHLQVJVHM-SFHVURJKSA-N 0 3 332.451 3.680 20 30 EHEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2)CN1Cc1ccccc1 ZINC000160129188 1030552950 /nfs/dbraw/zinc/55/29/50/1030552950.db2.gz SFFKOYSUGAMJPP-OXJNMPFZSA-N 0 3 348.450 3.537 20 30 EHEDHN C=CC[C@@H](Cc1ccccc1)NCc1csc(-c2cnn(C)c2)n1 ZINC000527721004 1031182058 /nfs/dbraw/zinc/18/20/58/1031182058.db2.gz MPJLLBCHJSVGGF-KRWDZBQOSA-N 0 3 338.480 3.821 20 30 EHEDHN COc1ccc(C(C)(C)NCc2ccc(OC)c(C#N)c2)cc1F ZINC000527782467 1031218587 /nfs/dbraw/zinc/21/85/87/1031218587.db2.gz WJMBGMRJFXBYNW-UHFFFAOYSA-N 0 3 328.387 3.739 20 30 EHEDHN N#CCc1ccc(CN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000343544525 1031330095 /nfs/dbraw/zinc/33/00/95/1031330095.db2.gz XYPNZSIYBYIENP-LJQANCHMSA-N 0 3 334.419 3.861 20 30 EHEDHN COc1cccc(CN(CC#Cc2ccccc2)C2CCC(O)CC2)c1 ZINC000483923163 1031392571 /nfs/dbraw/zinc/39/25/71/1031392571.db2.gz KXIDRKIOMBTKPC-UHFFFAOYSA-N 0 3 349.474 3.852 20 30 EHEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc2c(c1)CCCC2 ZINC000551551893 1031446085 /nfs/dbraw/zinc/44/60/85/1031446085.db2.gz GJHZNQMXXPLBNI-HNNXBMFYSA-N 0 3 330.435 3.936 20 30 EHEDHN N#CCc1ccc(CN2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC000343588596 1031531255 /nfs/dbraw/zinc/53/12/55/1031531255.db2.gz WUMQZWFKFLPWGN-OAQYLSRUSA-N 0 3 347.462 3.537 20 30 EHEDHN CN(C)C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528011627 1031590936 /nfs/dbraw/zinc/59/09/36/1031590936.db2.gz PXCZRGNGCTUOJC-FFSVYQOJSA-N 0 3 326.271 3.878 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(-n3ccnc3)cc2)n1 ZINC000180781843 1031909304 /nfs/dbraw/zinc/90/93/04/1031909304.db2.gz KGNLXRKLWMODRZ-OAHLLOKOSA-N 0 3 336.420 3.942 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN1Cc2ccccc2C[C@H]1C ZINC000607755134 1033303025 /nfs/dbraw/zinc/30/30/25/1033303025.db2.gz IEGQSFZPGVPOFM-DYESRHJHSA-N 0 3 337.463 3.602 20 30 EHEDHN C[C@H](CN(C)CC(=O)Nc1ccccc1SCC#N)C(C)(C)C ZINC000603053285 1033327307 /nfs/dbraw/zinc/32/73/07/1033327307.db2.gz AAYGAVTUTMXCRL-CQSZACIVSA-N 0 3 333.501 3.855 20 30 EHEDHN CC(C)C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594432525 1033367935 /nfs/dbraw/zinc/36/79/35/1033367935.db2.gz CJGUDPJZUWZCKE-IRXDYDNUSA-N 0 3 335.879 3.955 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000594434104 1033371549 /nfs/dbraw/zinc/37/15/49/1033371549.db2.gz KTEBMFILBQTMKE-SIFUEBAJSA-N 0 3 340.452 3.663 20 30 EHEDHN C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594433779 1033372492 /nfs/dbraw/zinc/37/24/92/1033372492.db2.gz SLGGVICXFSLGQC-ZCPGHIKRSA-N 0 3 333.863 3.565 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000594424628 1033390237 /nfs/dbraw/zinc/39/02/37/1033390237.db2.gz HHQOSBBFHIVZQO-OAQYLSRUSA-N 0 3 349.478 3.669 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000598734189 1033425469 /nfs/dbraw/zinc/42/54/69/1033425469.db2.gz GTPFWOLACJQVOU-JKSUJKDBSA-N 0 3 331.460 3.689 20 30 EHEDHN N#CC1(c2ccc(CN[C@]3(CO)CCCc4ccccc43)cc2)CC1 ZINC000594938005 1033586133 /nfs/dbraw/zinc/58/61/33/1033586133.db2.gz RPCVOHUXBWXRKP-QFIPXVFZSA-N 0 3 332.447 3.555 20 30 EHEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000173986427 1033664409 /nfs/dbraw/zinc/66/44/09/1033664409.db2.gz YSBBYVLVWDFUPG-PBHICJAKSA-N 0 3 330.428 3.949 20 30 EHEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000628234572 1033805927 /nfs/dbraw/zinc/80/59/27/1033805927.db2.gz FOXCNSZFWABRLK-UHFFFAOYSA-N 0 3 326.263 3.909 20 30 EHEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Nc1cccc(C#N)c1 ZINC000059748321 1033927441 /nfs/dbraw/zinc/92/74/41/1033927441.db2.gz OZQRCEYEAKSKRS-ICSRJNTNSA-N 0 3 346.434 3.707 20 30 EHEDHN N#Cc1cc2c(nc1NC[C@H](c1cccs1)N1CCCC1)CCC2 ZINC000603837872 1033949975 /nfs/dbraw/zinc/94/99/75/1033949975.db2.gz AJKOTPBEVWXJOK-QGZVFWFLSA-N 0 3 338.480 3.752 20 30 EHEDHN CN(CCOc1ccc(Cl)cc1)CCOc1cccc(C#N)c1 ZINC000603843702 1033967337 /nfs/dbraw/zinc/96/73/37/1033967337.db2.gz UZSVGZVSQNQTOF-UHFFFAOYSA-N 0 3 330.815 3.601 20 30 EHEDHN N#CCCCN1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526510 1033987967 /nfs/dbraw/zinc/98/79/67/1033987967.db2.gz NWVUPHDDLUBOQC-AWEZNQCLSA-N 0 3 325.275 3.919 20 30 EHEDHN N#Cc1ccc(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000609042700 1033991065 /nfs/dbraw/zinc/99/10/65/1033991065.db2.gz IDEBDMQAQQVVBR-HXUWFJFHSA-N 0 3 348.450 3.907 20 30 EHEDHN COCC1(NCc2ccc(C#N)cc2Br)CCCCC1 ZINC000595911003 1034029026 /nfs/dbraw/zinc/02/90/26/1034029026.db2.gz VWYURJQDYSDDRB-UHFFFAOYSA-N 0 3 337.261 3.760 20 30 EHEDHN C[C@H]1Cc2ccccc2N1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000604483224 1034388124 /nfs/dbraw/zinc/38/81/24/1034388124.db2.gz HAXCYCYDPTUEDN-KRWDZBQOSA-N 0 3 331.463 3.974 20 30 EHEDHN C=CCN(Cc1cccc(C#N)c1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761195228 1034395323 /nfs/dbraw/zinc/39/53/23/1034395323.db2.gz KLEPAAWKASLFRE-UHFFFAOYSA-N 0 3 343.471 3.850 20 30 EHEDHN CCCN(CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000604492511 1034397451 /nfs/dbraw/zinc/39/74/51/1034397451.db2.gz QHJNFPXZDMYEDT-UHFFFAOYSA-N 0 3 330.476 3.762 20 30 EHEDHN CCCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)c1ccccc1 ZINC000604494850 1034400713 /nfs/dbraw/zinc/40/07/13/1034400713.db2.gz CADFGGVXLHZLKQ-XLIONFOSSA-N 0 3 329.488 3.904 20 30 EHEDHN CC(C)[C@H](NCc1ccc(F)c(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000136239872 1034530170 /nfs/dbraw/zinc/53/01/70/1034530170.db2.gz FCFGHDQNLBDUEH-FQEVSTJZSA-N 0 3 340.398 3.955 20 30 EHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000343810147 1034539206 /nfs/dbraw/zinc/53/92/06/1034539206.db2.gz KGDCOMCLQFKXBF-OAHLLOKOSA-N 0 3 333.435 3.952 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2cccc(C)c2)c([O-])c1 ZINC000255840981 1034542571 /nfs/dbraw/zinc/54/25/71/1034542571.db2.gz RWDREAUYAKFWFZ-GAASDFDMSA-N 0 3 326.440 3.699 20 30 EHEDHN C=CC[C@H](C)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000604880330 1034543128 /nfs/dbraw/zinc/54/31/28/1034543128.db2.gz XKDUHJZENPYSPN-WMLDXEAASA-N 0 3 340.389 3.522 20 30 EHEDHN Cn1cc(CN2CCC[C@@H]2c2cccn2C)c(-c2ccc(C#N)cc2)n1 ZINC000179887751 1034964750 /nfs/dbraw/zinc/96/47/50/1034964750.db2.gz QTTFOODDVPGPFM-HXUWFJFHSA-N 0 3 345.450 3.634 20 30 EHEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(N2CCCC2=O)cc1 ZINC000177691091 1035323208 /nfs/dbraw/zinc/32/32/08/1035323208.db2.gz BAEWLSBNEOTNOD-ZDUSSCGKSA-N 0 3 325.437 3.597 20 30 EHEDHN N#Cc1csc(CNC[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000177699165 1035331623 /nfs/dbraw/zinc/33/16/23/1035331623.db2.gz SSKRQUKPPNRLGG-AWEZNQCLSA-N 0 3 327.236 3.750 20 30 EHEDHN C=CCC1(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CCC1 ZINC000188489483 1035946053 /nfs/dbraw/zinc/94/60/53/1035946053.db2.gz UUMQKXJSRMYEPY-SFHVURJKSA-N 0 3 326.484 3.856 20 30 EHEDHN Cc1cc(CNCc2ccnc(N3CCCCCC3)c2)ccc1C#N ZINC000443955367 1035950868 /nfs/dbraw/zinc/95/08/68/1035950868.db2.gz CIDIIGBLMVSTMZ-UHFFFAOYSA-N 0 3 334.467 3.932 20 30 EHEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129673387 1036388001 /nfs/dbraw/zinc/38/80/01/1036388001.db2.gz CJQNYEDGOLWVTG-LLVKDONJSA-N 0 3 337.162 3.856 20 30 EHEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129673614 1036389154 /nfs/dbraw/zinc/38/91/54/1036389154.db2.gz CJQNYEDGOLWVTG-NSHDSACASA-N 0 3 337.162 3.856 20 30 EHEDHN C=C[C@@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000535371958 1036406832 /nfs/dbraw/zinc/40/68/32/1036406832.db2.gz MMOUQJZURRGXKU-PZJWPPBQSA-N 0 3 334.463 3.737 20 30 EHEDHN COc1ccc(CN2CCSCC[C@H]2C)cc1OCCCC#N ZINC000191815980 1036433545 /nfs/dbraw/zinc/43/35/45/1036433545.db2.gz QFLICKOAWNQVQP-OAHLLOKOSA-N 0 3 334.485 3.705 20 30 EHEDHN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)c1ccccc1 ZINC000541613632 1036498080 /nfs/dbraw/zinc/49/80/80/1036498080.db2.gz LDWNQEJTBBPFMA-CABCVRRESA-N 0 3 332.407 3.890 20 30 EHEDHN C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)c1ccccc1 ZINC000541613638 1036499298 /nfs/dbraw/zinc/49/92/98/1036499298.db2.gz LDWNQEJTBBPFMA-LSDHHAIUSA-N 0 3 332.407 3.890 20 30 EHEDHN C[C@H](NC(C)(C)c1cccs1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000541644980 1036536733 /nfs/dbraw/zinc/53/67/33/1036536733.db2.gz MCNIWFPTBXCYGQ-HVEKOLDVSA-N 0 3 347.528 3.892 20 30 EHEDHN CN(CCCN(C)c1cc(C#N)c2ccccc2n1)Cc1ccco1 ZINC000343832991 1037003131 /nfs/dbraw/zinc/00/31/31/1037003131.db2.gz DUQNBRNMCLAOAG-UHFFFAOYSA-N 0 3 334.423 3.658 20 30 EHEDHN CC(C)[C@H](C(=O)Nc1cccc(OCCCC#N)c1)N1CCCCC1 ZINC000104283454 1037004467 /nfs/dbraw/zinc/00/44/67/1037004467.db2.gz FPDWPLXLYMWPLL-LJQANCHMSA-N 0 3 343.471 3.818 20 30 EHEDHN C=CCc1cc(CN2CCS[C@@H]3CCCC[C@H]32)cc(OC)c1O ZINC000539849741 1037277973 /nfs/dbraw/zinc/27/79/73/1037277973.db2.gz VXOKBDAFKJHGCG-SJLPKXTDSA-N 0 3 333.497 3.989 20 30 EHEDHN N#Cc1ccc(CNCCOc2cccc(Br)c2)c(F)c1 ZINC000532588012 1037711311 /nfs/dbraw/zinc/71/13/11/1037711311.db2.gz QUCWJWFIPAJNCU-UHFFFAOYSA-N 0 3 349.203 3.628 20 30 EHEDHN CC[C@@H](C)N(CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1 ZINC000046171381 1037793585 /nfs/dbraw/zinc/79/35/85/1037793585.db2.gz IZYSKQPAEHTILH-QGZVFWFLSA-N 0 3 327.472 3.630 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2nc3cc(Cl)ccc3s2)CC1 ZINC000454172380 1037917631 /nfs/dbraw/zinc/91/76/31/1037917631.db2.gz OJKGZGJZWSEADN-UHFFFAOYSA-N 0 3 349.887 3.720 20 30 EHEDHN COc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1OC(C)C ZINC000041520265 1038116317 /nfs/dbraw/zinc/11/63/17/1038116317.db2.gz RVOTTXWTULEFOV-CYBMUJFWSA-N 0 3 330.409 3.737 20 30 EHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000180554515 1038207472 /nfs/dbraw/zinc/20/74/72/1038207472.db2.gz GPVLJRJFEXQSFA-INIZCTEOSA-N 0 3 349.434 3.567 20 30 EHEDHN C=CCC[C@@H](C(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000470178939 1038567643 /nfs/dbraw/zinc/56/76/43/1038567643.db2.gz PXTQARQXZMJZGI-WOJBJXKFSA-N 0 3 326.484 3.870 20 30 EHEDHN COC(=O)C1(c2ccccc2)CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488200999 1038959852 /nfs/dbraw/zinc/95/98/52/1038959852.db2.gz OENAFEAPOXVFOI-UHFFFAOYSA-N 0 3 348.446 3.574 20 30 EHEDHN Cc1ccc(C)c([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000488465486 1039206713 /nfs/dbraw/zinc/20/67/13/1039206713.db2.gz OISJOLNJAXMCHN-UWJYYQICSA-N 0 3 347.462 3.627 20 30 EHEDHN C=CCN1CCC(NC(=O)C[C@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000488850966 1039434250 /nfs/dbraw/zinc/43/42/50/1039434250.db2.gz IEDOBJFIMCXHSF-DLBZAZTESA-N 0 3 326.484 3.743 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)COC3)s1 ZINC000584697162 1039553250 /nfs/dbraw/zinc/55/32/50/1039553250.db2.gz MZABIVWTZRAXSX-CQSZACIVSA-N 0 3 326.421 3.961 20 30 EHEDHN Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000096704112 1039579724 /nfs/dbraw/zinc/57/97/24/1039579724.db2.gz UQDCLMXVDJOEKV-HXUWFJFHSA-N 0 3 348.450 3.825 20 30 EHEDHN Cc1ccc(NC(=O)Cc2c(C)cc(C#N)cc2C)c(CN(C)C)c1 ZINC000906694688 1039718241 /nfs/dbraw/zinc/71/82/41/1039718241.db2.gz DNAFQYFNFPBEJH-UHFFFAOYSA-N 0 3 335.451 3.726 20 30 EHEDHN CN(C)[C@@H]1CCOc2c(Nc3cc(C#N)ccc3[N+](=O)[O-])cccc21 ZINC000432936120 1040216858 /nfs/dbraw/zinc/21/68/58/1040216858.db2.gz HELKHYPOCWISGH-MRXNPFEDSA-N 0 3 338.367 3.595 20 30 EHEDHN C=C(C)CNCc1cc(Br)cc(Br)c1OC ZINC000167460414 1040338185 /nfs/dbraw/zinc/33/81/85/1040338185.db2.gz OYPWZAAIKUWFKD-UHFFFAOYSA-N 0 3 349.066 3.886 20 30 EHEDHN C[C@H](NC(=O)CN[C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433033000 1040514896 /nfs/dbraw/zinc/51/48/96/1040514896.db2.gz CNENUJGHLGWPIE-FXAWDEMLSA-N 0 3 335.451 3.889 20 30 EHEDHN N#CC(C(=O)CCc1cccc(Br)c1)c1ccccn1 ZINC000123431409 1040844116 /nfs/dbraw/zinc/84/41/16/1040844116.db2.gz VTDIOYCXDZOCHM-AWEZNQCLSA-N 0 3 329.197 3.653 20 30 EHEDHN C#CCN(C(=S)Nc1c(CC)cccc1CC)C1CCN(C)CC1 ZINC000899613533 1040851370 /nfs/dbraw/zinc/85/13/70/1040851370.db2.gz FMPFDOUSWNQWJI-UHFFFAOYSA-N 0 3 343.540 3.538 20 30 EHEDHN C=C(C)[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000187754688 1041160380 /nfs/dbraw/zinc/16/03/80/1041160380.db2.gz PUTQQZBYDRMCCS-RBUKOAKNSA-N 0 3 328.362 3.777 20 30 EHEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000432092597 1041582830 /nfs/dbraw/zinc/58/28/30/1041582830.db2.gz PTOFFKSSAQZIKL-WMZOPIPTSA-N 0 3 329.488 3.723 20 30 EHEDHN C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1(C)C ZINC000759924064 1041742102 /nfs/dbraw/zinc/74/21/02/1041742102.db2.gz UQRCNCLAAGMMJR-UONOGXRCSA-N 0 3 341.480 3.841 20 30 EHEDHN N#CC(C(=O)CCCOc1cccc(F)c1)c1nc2ccccc2[nH]1 ZINC000125075043 1041859123 /nfs/dbraw/zinc/85/91/23/1041859123.db2.gz IZDVLFSSSNXAHO-OAHLLOKOSA-N 0 3 337.354 3.737 20 30 EHEDHN CC1CCN([C@@H](CNc2cnccc2C#N)c2cccs2)CC1 ZINC000094131829 1042828146 /nfs/dbraw/zinc/82/81/46/1042828146.db2.gz VLGJAFKTQDQYPK-KRWDZBQOSA-N 0 3 326.469 3.900 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2ccccc2C)CC1 ZINC000303284699 1042924536 /nfs/dbraw/zinc/92/45/36/1042924536.db2.gz GCMDPGUEADFFHL-UHFFFAOYSA-N 0 3 343.515 3.612 20 30 EHEDHN Cc1cc([C@@H](NCc2cnc3ccc(C#N)cn23)C2CC2)ccc1F ZINC000585766812 1043029182 /nfs/dbraw/zinc/02/91/82/1043029182.db2.gz QQYPAGJNFUFFLZ-FQEVSTJZSA-N 0 3 334.398 3.894 20 30 EHEDHN Cc1cccc(C)c1[C@H](C)N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000570610182 1043036007 /nfs/dbraw/zinc/03/60/07/1043036007.db2.gz RZZUZCGYXXRGJM-QFBILLFUSA-N 0 3 333.435 3.631 20 30 EHEDHN CC(C)(C)Oc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000344641347 1044219730 /nfs/dbraw/zinc/21/97/30/1044219730.db2.gz ULYXEBHICSOWGW-ZDUSSCGKSA-N 0 3 334.379 3.625 20 30 EHEDHN C=CCN1C(=O)c2ccccc2N[C@]12CCN(C)[C@H](c1ccccc1)C2 ZINC000414186036 1125595528 /nfs/dbraw/zinc/59/55/28/1125595528.db2.gz OWURMJXSHCTJAH-RBBKRZOGSA-N 0 3 347.462 3.904 20 30 EHEDHN Cc1ccc(CN(CCO)Cc2cccc(OCCCC#N)c2)cc1 ZINC000180844854 1127189855 /nfs/dbraw/zinc/18/98/55/1127189855.db2.gz JRNNQFBGWAYQHK-UHFFFAOYSA-N 0 3 338.451 3.672 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000181354445 1127274787 /nfs/dbraw/zinc/27/47/87/1127274787.db2.gz WPRBNKXSDNFIGI-MUZJZNNISA-N 0 3 327.472 3.657 20 30 EHEDHN CCCC[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(OC)cc1 ZINC000182143668 1127314329 /nfs/dbraw/zinc/31/43/29/1127314329.db2.gz BPXBUIVGGRPDAQ-QUCCMNQESA-N 0 3 345.487 3.571 20 30 EHEDHN COc1ccccc1[C@H](CNc1c(C#N)cccc1C#N)N1CCCC1 ZINC000302853447 1128651041 /nfs/dbraw/zinc/65/10/41/1128651041.db2.gz QUJQLCURNYGFBI-IBGZPJMESA-N 0 3 346.434 3.688 20 30 EHEDHN CCCc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000303057490 1128663425 /nfs/dbraw/zinc/66/34/25/1128663425.db2.gz WOMIIAGMBIMKNI-UHFFFAOYSA-N 0 3 349.478 3.715 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000921743977 1128718239 /nfs/dbraw/zinc/71/82/39/1128718239.db2.gz UAWSVEOKZTWLRC-BEFAXECRSA-N 0 3 336.435 3.981 20 30 EHEDHN CC#CCCCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000184994281 1120395117 /nfs/dbraw/zinc/39/51/17/1120395117.db2.gz HSZQVGVURMLFMZ-KRWDZBQOSA-N 0 3 332.513 3.831 20 30 EHEDHN CC#CCCCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000184994300 1120395336 /nfs/dbraw/zinc/39/53/36/1120395336.db2.gz HSZQVGVURMLFMZ-QGZVFWFLSA-N 0 3 332.513 3.831 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000171605878 1120559348 /nfs/dbraw/zinc/55/93/48/1120559348.db2.gz CFWMNJQLCHIMPI-LEWJYISDSA-N 0 3 334.463 3.710 20 30 EHEDHN N#Cc1cc2c(nc1N[C@H]1CCN(Cc3ccccc3)C1)CCCC2 ZINC000310748475 1128959010 /nfs/dbraw/zinc/95/90/10/1128959010.db2.gz HPIAPLJLSDWVLB-IBGZPJMESA-N 0 3 332.451 3.518 20 30 EHEDHN C=CCOc1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000237696041 1121491577 /nfs/dbraw/zinc/49/15/77/1121491577.db2.gz GTISCQUPZNNUJV-UHFFFAOYSA-N 0 3 345.826 3.966 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](SCc2ccccc2)C(C)C)CC1 ZINC000171715408 1121507836 /nfs/dbraw/zinc/50/78/36/1121507836.db2.gz WJNNORWMLFJELY-IBGZPJMESA-N 0 3 346.540 3.711 20 30 EHEDHN C=CCN1CCC(NC(=O)c2sc(-c3cccs3)nc2C)CC1 ZINC000171723117 1121514745 /nfs/dbraw/zinc/51/47/45/1121514745.db2.gz FLRAWMGXIAFXRJ-UHFFFAOYSA-N 0 3 347.509 3.560 20 30 EHEDHN COc1ccc(C(C)N=Nc2ccccn2)cc1CN1CCCCC1 ZINC000916273425 1122114504 /nfs/dbraw/zinc/11/45/04/1122114504.db2.gz CQNAHKGVFJVWLX-UHFFFAOYSA-N 0 3 338.455 3.912 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2CC2(C#N)CCC2)C1 ZINC000497036722 1122252890 /nfs/dbraw/zinc/25/28/90/1122252890.db2.gz IEHCXZQEXXHBID-DLBZAZTESA-N 0 3 347.503 3.792 20 30 EHEDHN Cc1ccc(CN(C)CC(=O)C(C#N)c2nc3ccccc3s2)o1 ZINC000917018866 1122440094 /nfs/dbraw/zinc/44/00/94/1122440094.db2.gz BSEDSGYSTOSOPS-CQSZACIVSA-N 0 3 339.420 3.506 20 30 EHEDHN Cc1cccc2c1N(CC(=O)C(C#N)c1nc3ccccc3s1)CC2 ZINC000917128354 1122532331 /nfs/dbraw/zinc/53/23/31/1122532331.db2.gz URHUPQVEHPTAFK-HNNXBMFYSA-N 0 3 347.443 3.844 20 30 EHEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(Oc3ccccc3)cc2)C1=O ZINC000499598657 1129063838 /nfs/dbraw/zinc/06/38/38/1129063838.db2.gz AHFQXZMPCQCCHN-OXJNMPFZSA-N 0 3 336.435 3.916 20 30 EHEDHN CCCCCCCOc1ccc(CN[C@H]2CCCCNC2=O)cc1 ZINC000917394652 1122590660 /nfs/dbraw/zinc/59/06/60/1122590660.db2.gz MAQSPJHIGPYVGS-IBGZPJMESA-N 0 3 332.488 3.794 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN(CC)Cc1cccc(F)c1 ZINC000497726734 1122648455 /nfs/dbraw/zinc/64/84/55/1122648455.db2.gz DTGVFCYQNRDBKZ-HXUWFJFHSA-N 0 3 343.442 3.816 20 30 EHEDHN C=CCN1CC[C@H](N[C@H](c2oc3ccccc3c2C)C(C)C)C1=O ZINC000499609017 1129075918 /nfs/dbraw/zinc/07/59/18/1129075918.db2.gz WYKILBSXXLKYGJ-WMZOPIPTSA-N 0 3 326.440 3.815 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC1CCCCC1 ZINC000498389028 1122902715 /nfs/dbraw/zinc/90/27/15/1122902715.db2.gz FKIJUULXEZMRBA-UHFFFAOYSA-N 0 3 341.499 3.809 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(NC(=O)N(C)C)cc1 ZINC000922084713 1129088711 /nfs/dbraw/zinc/08/87/11/1129088711.db2.gz SHRSRNMUPXNCIE-UHFFFAOYSA-N 0 3 336.439 3.558 20 30 EHEDHN C=CCN(CC=C)[C@@H](CNc1cc(C(C)=O)ccc1C#N)C(C)C ZINC000498899660 1123102491 /nfs/dbraw/zinc/10/24/91/1123102491.db2.gz HCHFMXFMCULGFP-FQEVSTJZSA-N 0 3 325.456 3.871 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)Cc2cc3ccccc3o2)c1 ZINC000920108874 1123293860 /nfs/dbraw/zinc/29/38/60/1123293860.db2.gz KRPYAOYSRNGVBK-KRWDZBQOSA-N 0 3 332.359 3.631 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H](C)OCC(C)C ZINC000920790211 1123423535 /nfs/dbraw/zinc/42/35/35/1123423535.db2.gz RXJWWTQHKRFHGX-PBHICJAKSA-N 0 3 344.455 3.520 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000920942396 1123441309 /nfs/dbraw/zinc/44/13/09/1123441309.db2.gz AQRUEBPVQXETOQ-AHFVYKFHSA-N 0 3 339.483 3.960 20 30 EHEDHN N#Cc1ccc(NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000078329592 1129132059 /nfs/dbraw/zinc/13/20/59/1129132059.db2.gz CFQKWXHLRAMHFJ-MRXNPFEDSA-N 0 3 342.424 3.777 20 30 EHEDHN CC(C)C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000179717527 1123831904 /nfs/dbraw/zinc/83/19/04/1123831904.db2.gz OZTQSZIFDQCZGK-IEBWSBKVSA-N 0 3 347.890 3.825 20 30 EHEDHN N#Cc1ccc(N2CCC[C@H](NCc3cc(F)ccc3F)C2)c(F)c1 ZINC000237817157 1123870385 /nfs/dbraw/zinc/87/03/85/1123870385.db2.gz FAWPSBBPXCZKBD-INIZCTEOSA-N 0 3 345.368 3.734 20 30 EHEDHN COCc1ccc([C@@H]2CCCN2CCCOc2ccc(C#N)cc2)o1 ZINC000130815636 1123914234 /nfs/dbraw/zinc/91/42/34/1123914234.db2.gz RLGPJJZUXJKAGU-IBGZPJMESA-N 0 3 340.423 3.904 20 30 EHEDHN C[C@@H](c1cccc(Cl)c1)N(C)C[C@@H](O)COc1ccccc1C#N ZINC000324857266 1124814471 /nfs/dbraw/zinc/81/44/71/1124814471.db2.gz GSMLCTZEJOPFDI-KBXCAEBGSA-N 0 3 344.842 3.644 20 30 EHEDHN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1OC(F)F ZINC000618742228 1125179743 /nfs/dbraw/zinc/17/97/43/1125179743.db2.gz UJTMKYYJSMLRFC-INIZCTEOSA-N 0 3 344.361 3.945 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(C)=O)c(Cl)c2)CC1 ZINC000182522798 1125324679 /nfs/dbraw/zinc/32/46/79/1125324679.db2.gz LRKROYVOXIQRCQ-UHFFFAOYSA-N 0 3 349.862 3.705 20 30 EHEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000619755147 1125395275 /nfs/dbraw/zinc/39/52/75/1125395275.db2.gz UNYIDMDYNSVGNM-ZDUSSCGKSA-N 0 3 337.814 3.643 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)cc(Cl)c2)CC1 ZINC000153100129 1125433049 /nfs/dbraw/zinc/43/30/49/1125433049.db2.gz PTIWCKQFRZYZKL-UHFFFAOYSA-N 0 3 325.815 3.641 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000922250074 1129402062 /nfs/dbraw/zinc/40/20/62/1129402062.db2.gz OFXGFTXDOUUUFW-HOTGVXAUSA-N 0 3 335.492 3.743 20 30 EHEDHN C[C@@H]1Cc2cc(CNC3(c4cccc(C#N)c4)CCOCC3)ccc2O1 ZINC000922255600 1129407459 /nfs/dbraw/zinc/40/74/59/1129407459.db2.gz WMHHQYVTYPNQSF-MRXNPFEDSA-N 0 3 348.446 3.677 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000466375988 1129409118 /nfs/dbraw/zinc/40/91/18/1129409118.db2.gz BNJCFAMSTCCGQJ-MOPGFXCFSA-N 0 3 329.488 3.647 20 30 EHEDHN C[C@H](c1ccco1)N(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000069067395 1129420755 /nfs/dbraw/zinc/42/07/55/1129420755.db2.gz NOJMNVSYKUJILF-GFCCVEGCSA-N 0 3 331.803 3.826 20 30 EHEDHN C=CCCC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000543408416 1129470456 /nfs/dbraw/zinc/47/04/56/1129470456.db2.gz KCVZNALFGVXXKN-SFHVURJKSA-N 0 3 336.426 3.963 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000125005283 1129652726 /nfs/dbraw/zinc/65/27/26/1129652726.db2.gz ZWYHZUXMLBWXJS-GOSISDBHSA-N 0 3 347.462 3.603 20 30 EHEDHN C[C@H](c1cccc(Cl)c1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000392073032 1129700751 /nfs/dbraw/zinc/70/07/51/1129700751.db2.gz BLNLGQFASIEIME-RDTXWAMCSA-N 0 3 344.842 3.644 20 30 EHEDHN C=CC[C@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)c1ccncc1 ZINC000766019114 1129804296 /nfs/dbraw/zinc/80/42/96/1129804296.db2.gz KCZGOUSKMBQDHG-UWJYYQICSA-N 0 3 337.467 3.886 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C2CCC2)C2CCC2)c1 ZINC000429128774 1129840180 /nfs/dbraw/zinc/84/01/80/1129840180.db2.gz BXQMNMHBRCDZCJ-UHFFFAOYSA-N 0 3 339.483 3.957 20 30 EHEDHN C=C(C)COc1cc(CN[C@@H](c2cnn(C)c2)C(C)C)ccc1OC ZINC000922892935 1130131574 /nfs/dbraw/zinc/13/15/74/1130131574.db2.gz DMDHLRJONRSESE-HXUWFJFHSA-N 0 3 343.471 3.871 20 30 EHEDHN C=C(C)COc1cc(CN[C@H](c2cnn(C)c2)C(C)C)ccc1OC ZINC000922892934 1130136418 /nfs/dbraw/zinc/13/64/18/1130136418.db2.gz DMDHLRJONRSESE-FQEVSTJZSA-N 0 3 343.471 3.871 20 30 EHEDHN C[C@@H](NCc1cccc(CN2CCO[C@H](C)C2)c1)c1cccc(C#N)c1 ZINC000245971028 1130335375 /nfs/dbraw/zinc/33/53/75/1130335375.db2.gz ZQTRUBKJXLPLMV-QZTJIDSGSA-N 0 3 349.478 3.630 20 30 EHEDHN C#CCC(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000804128907 1130558525 /nfs/dbraw/zinc/55/85/25/1130558525.db2.gz UTXZSFFRYPRNIY-KRWDZBQOSA-N 0 3 334.891 3.889 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)nc3ccccc32)CC1 ZINC000729976215 1130661596 /nfs/dbraw/zinc/66/15/96/1130661596.db2.gz XXJJUPJYWBQBGO-UHFFFAOYSA-N 0 3 343.858 3.659 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC(C3CCCCC3)CC2)CC1 ZINC000730125112 1130674420 /nfs/dbraw/zinc/67/44/20/1130674420.db2.gz NPCYSHIGCWQTMQ-UHFFFAOYSA-N 0 3 333.520 3.639 20 30 EHEDHN CC(C)(C)OC(=O)NCC1(NCc2ccc(C#N)cc2F)CCCC1 ZINC000732212613 1130897619 /nfs/dbraw/zinc/89/76/19/1130897619.db2.gz QIGDAFKDZXHVDE-UHFFFAOYSA-N 0 3 347.434 3.624 20 30 EHEDHN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(OCC#N)cc1)CCC2 ZINC000732214982 1130899314 /nfs/dbraw/zinc/89/93/14/1130899314.db2.gz ZIZWAKBLICOZCL-KRWDZBQOSA-N 0 3 327.453 3.863 20 30 EHEDHN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000733054172 1130986654 /nfs/dbraw/zinc/98/66/54/1130986654.db2.gz ZJQQKXQUROHVEQ-MGPQQGTHSA-N 0 3 348.830 3.583 20 30 EHEDHN C[C@H]1CCCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000734001367 1131181158 /nfs/dbraw/zinc/18/11/58/1131181158.db2.gz CDMHIKWGOLZLRY-KBPBESRZSA-N 0 3 327.453 3.737 20 30 EHEDHN CC1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000741804848 1131652544 /nfs/dbraw/zinc/65/25/44/1131652544.db2.gz MMSDNDZEIFBIKR-CQSZACIVSA-N 0 3 341.480 3.985 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](Cc2nccn2C)c2ccccc2)cc1 ZINC000742388274 1131714635 /nfs/dbraw/zinc/71/46/35/1131714635.db2.gz NVICRABNXIEIKR-NRFANRHFSA-N 0 3 345.446 3.506 20 30 EHEDHN Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1F ZINC001172967706 1131920042 /nfs/dbraw/zinc/92/00/42/1131920042.db2.gz ADRSYHPLODMFEU-HOTGVXAUSA-N 0 3 347.434 3.515 20 30 EHEDHN Cc1cc(F)cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172976288 1131922742 /nfs/dbraw/zinc/92/27/42/1131922742.db2.gz NKJNQSYRRVZGRO-IRXDYDNUSA-N 0 3 347.434 3.515 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cc(F)ccc3F)nc21 ZINC000744161024 1132035815 /nfs/dbraw/zinc/03/58/15/1132035815.db2.gz RKYIMLDHDGIHTR-ZDUSSCGKSA-N 0 3 325.318 3.569 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cc(F)ccc3F)nc21 ZINC000744161023 1132035921 /nfs/dbraw/zinc/03/59/21/1132035921.db2.gz RKYIMLDHDGIHTR-CYBMUJFWSA-N 0 3 325.318 3.569 20 30 EHEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)nc1Br ZINC001173928938 1132188209 /nfs/dbraw/zinc/18/82/09/1132188209.db2.gz HWWCBZDPASZUMY-UHFFFAOYSA-N 0 3 331.217 3.521 20 30 EHEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(CCC2=CCCCC2)CC1 ZINC001169198452 1132689362 /nfs/dbraw/zinc/68/93/62/1132689362.db2.gz XWCIXKRRBGQLEV-HXUWFJFHSA-N 0 3 327.447 3.898 20 30 EHEDHN COc1cc(C#N)c(F)cc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506745 1132694928 /nfs/dbraw/zinc/69/49/28/1132694928.db2.gz LADSCPNRKXKGEQ-UHFFFAOYSA-N 0 3 337.398 3.908 20 30 EHEDHN CCN1CCN(c2ccc(Nc3cc(F)c(F)cc3C#N)cc2)CC1 ZINC001175781402 1132763969 /nfs/dbraw/zinc/76/39/69/1132763969.db2.gz HCDIMFIJYJRJDR-UHFFFAOYSA-N 0 3 342.393 3.722 20 30 EHEDHN CC(C)[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000103329987 1132824199 /nfs/dbraw/zinc/82/41/99/1132824199.db2.gz QDGQNVWCYHOMOE-MOPGFXCFSA-N 0 3 340.467 3.974 20 30 EHEDHN CCCC[C@H](ON=C(C)C)C(=O)N(CCN(C)C)c1ccccc1 ZINC000767921114 1133068483 /nfs/dbraw/zinc/06/84/83/1133068483.db2.gz UKRGBHFSOPNHCT-SFHVURJKSA-N 0 3 333.476 3.552 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1csc(-c2ccncc2)n1 ZINC001177908836 1133111124 /nfs/dbraw/zinc/11/11/24/1133111124.db2.gz OCEDNNLATGTYIR-GFCCVEGCSA-N 0 3 340.433 3.588 20 30 EHEDHN N#Cc1ccc(CCNCc2c(F)cccc2OC(F)(F)F)cc1 ZINC001179143401 1133228301 /nfs/dbraw/zinc/22/83/01/1133228301.db2.gz VRUMTPNSJTUSJG-UHFFFAOYSA-N 0 3 338.304 3.928 20 30 EHEDHN CN(C)c1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000769326211 1133262979 /nfs/dbraw/zinc/26/29/79/1133262979.db2.gz GAQPNFRYDLUZRX-UHFFFAOYSA-N 0 3 335.451 3.668 20 30 EHEDHN C=CCOc1cccc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000769400969 1133276062 /nfs/dbraw/zinc/27/60/62/1133276062.db2.gz BOSCQFUJBPKPIN-OAHLLOKOSA-N 0 3 334.460 3.596 20 30 EHEDHN N#Cc1ccc(OC(=O)C2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000769737790 1133341062 /nfs/dbraw/zinc/34/10/62/1133341062.db2.gz VLXLRFBUMPZYLV-UHFFFAOYSA-N 0 3 338.382 3.515 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)C1c2ccccc2-c2ccccc21 ZINC001181919253 1133551956 /nfs/dbraw/zinc/55/19/56/1133551956.db2.gz YHWUSWUYGXMRRS-INIZCTEOSA-N 0 3 332.447 3.566 20 30 EHEDHN C[C@H](C(=O)N(C1CCCC1)C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC001182792653 1133728778 /nfs/dbraw/zinc/72/87/78/1133728778.db2.gz HGLBLIVIUIQAMX-INIZCTEOSA-N 0 3 339.483 3.527 20 30 EHEDHN N#Cc1cc(COC(=O)c2cccc(CN3CCCC3)c2)ccc1F ZINC000785708367 1133746143 /nfs/dbraw/zinc/74/61/43/1133746143.db2.gz GNEZAFOJMADLNJ-UHFFFAOYSA-N 0 3 338.382 3.650 20 30 EHEDHN C=C(CN1CCCC1)C(=O)Nc1cc(-c2ccc(Cl)s2)on1 ZINC001183038751 1133760240 /nfs/dbraw/zinc/76/02/40/1133760240.db2.gz HUDKURMAFONKNK-UHFFFAOYSA-N 0 3 337.832 3.647 20 30 EHEDHN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)NCc2cccc(C)c2)C1(C)C ZINC000786550338 1133873921 /nfs/dbraw/zinc/87/39/21/1133873921.db2.gz OIVWEZOCXXLICK-KURKYZTESA-N 0 3 338.451 3.559 20 30 EHEDHN CC(C)(C#N)CCCCOC(=O)CCN1CCc2ccccc2C1 ZINC000786828670 1133905851 /nfs/dbraw/zinc/90/58/51/1133905851.db2.gz YXENLBCZVLVXFT-UHFFFAOYSA-N 0 3 328.456 3.698 20 30 EHEDHN C=CCn1ncc2ccc(NC(=O)c3ccc(CN(C)C)cc3)cc21 ZINC001184384119 1133933948 /nfs/dbraw/zinc/93/39/48/1133933948.db2.gz QOJQASOTCYQEAH-UHFFFAOYSA-N 0 3 334.423 3.536 20 30 EHEDHN CCCCC[C@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787062046 1133952052 /nfs/dbraw/zinc/95/20/52/1133952052.db2.gz UTGNQAKDULBVSK-WMZOPIPTSA-N 0 3 328.456 3.960 20 30 EHEDHN CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001184500804 1133952793 /nfs/dbraw/zinc/95/27/93/1133952793.db2.gz NUNJPQIEBKUXOR-GOSISDBHSA-N 0 3 334.467 3.937 20 30 EHEDHN CN1CCN(Cc2ccccc2C(C)(C)C#N)C[C@H]1Cc1ccccc1 ZINC001170073582 1134004459 /nfs/dbraw/zinc/00/44/59/1134004459.db2.gz IHHFGLSTUNMSPO-OAQYLSRUSA-N 0 3 347.506 3.846 20 30 EHEDHN CN1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1Cc1ccccc1 ZINC001170073578 1134005057 /nfs/dbraw/zinc/00/50/57/1134005057.db2.gz IHHFGLSTUNMSPO-NRFANRHFSA-N 0 3 347.506 3.846 20 30 EHEDHN C#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000787771827 1134039737 /nfs/dbraw/zinc/03/97/37/1134039737.db2.gz FOOSGYIYHCKQQG-GOSISDBHSA-N 0 3 338.838 3.607 20 30 EHEDHN C[C@@H](NCC1CCC(C#N)CC1)c1nc(Br)ccc1F ZINC000788814342 1134183832 /nfs/dbraw/zinc/18/38/32/1134183832.db2.gz LDKLAEARBCGGNJ-VOMCLLRMSA-N 0 3 340.240 3.964 20 30 EHEDHN C#CCN(CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1 ZINC001170093536 1134194281 /nfs/dbraw/zinc/19/42/81/1134194281.db2.gz BFLMTUNTGDVFRX-QFIPXVFZSA-N 0 3 346.474 3.706 20 30 EHEDHN CCCN(CCN1CCCCCC1)c1snc(Cl)c1C#N ZINC001186639613 1134241052 /nfs/dbraw/zinc/24/10/52/1134241052.db2.gz KJSPQWBFPSTHIX-UHFFFAOYSA-N 0 3 326.897 3.761 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cc(Cl)ccc1Cl ZINC001189010609 1134532350 /nfs/dbraw/zinc/53/23/50/1134532350.db2.gz FUMPWIBUTLENDR-LBPRGKRZSA-N 0 3 328.243 3.765 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000791566978 1134575476 /nfs/dbraw/zinc/57/54/76/1134575476.db2.gz UOVKSKQNDCYNBE-LJQANCHMSA-N 0 3 326.396 3.707 20 30 EHEDHN Cc1ccc(N2CC[C@@H](N[C@@H]3CCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000775409243 1134748335 /nfs/dbraw/zinc/74/83/35/1134748335.db2.gz FEBIEGLPFQLWGI-NHCUHLMSSA-N 0 3 345.446 3.639 20 30 EHEDHN C#Cc1ccccc1C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001191120769 1134796476 /nfs/dbraw/zinc/79/64/76/1134796476.db2.gz WOXRYTQJVWSKIV-AVRDEDQJSA-N 0 3 346.474 3.651 20 30 EHEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCOc1ccccc1C#N ZINC001193991538 1135218533 /nfs/dbraw/zinc/21/85/33/1135218533.db2.gz WVEUXAGRFGQOCG-SFHVURJKSA-N 0 3 344.842 3.910 20 30 EHEDHN C[C@@H](NC[C@@H](O)Cc1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000805749345 1135318622 /nfs/dbraw/zinc/31/86/22/1135318622.db2.gz LPCXZYNVMQTMMU-WBMJQRKESA-N 0 3 332.806 3.605 20 30 EHEDHN CN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001195022327 1135354072 /nfs/dbraw/zinc/35/40/72/1135354072.db2.gz LWUVBOSALJSOKF-VQTJNVASSA-N 0 3 333.435 3.765 20 30 EHEDHN CN(CCN(C)C(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775649912 1135417780 /nfs/dbraw/zinc/41/77/80/1135417780.db2.gz LMYIKDWQBJIZJJ-UHFFFAOYSA-N 0 3 345.487 3.786 20 30 EHEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001195946165 1135497846 /nfs/dbraw/zinc/49/78/46/1135497846.db2.gz IASCTAWKFDAHIX-NRGCRIOASA-N 0 3 331.504 3.594 20 30 EHEDHN C=CCN(CC(=O)N[C@H](CC)c1ccccc1OCC)C(C)(C)C ZINC001196198453 1135530032 /nfs/dbraw/zinc/53/00/32/1135530032.db2.gz LVLABHAETMJYLA-QGZVFWFLSA-N 0 3 332.488 3.939 20 30 EHEDHN C=CC[C@H]1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC001196441784 1135558106 /nfs/dbraw/zinc/55/81/06/1135558106.db2.gz MVQSASLGEQAMDK-HNNXBMFYSA-N 0 3 325.431 3.898 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@H]2CC2(C)C)c1 ZINC001196460040 1135570077 /nfs/dbraw/zinc/57/00/77/1135570077.db2.gz WHFLBDHYGNIWBK-ZWKOTPCHSA-N 0 3 341.499 3.917 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000808426463 1135661033 /nfs/dbraw/zinc/66/10/33/1135661033.db2.gz SKVUVXKCORLXCW-QRWLVFNGSA-N 0 3 341.430 3.509 20 30 EHEDHN N#Cc1ccc(OCCCN2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000775895310 1135861321 /nfs/dbraw/zinc/86/13/21/1135861321.db2.gz MAMGNZLSKDACEX-QFIPXVFZSA-N 0 3 348.446 3.849 20 30 EHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cccc4ccoc43)C2=O)cc1 ZINC001201969970 1136079984 /nfs/dbraw/zinc/07/99/84/1136079984.db2.gz DIYYBOSWEGNVFP-LJQANCHMSA-N 0 3 345.402 3.590 20 30 EHEDHN C#CCCOc1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000811519449 1136098055 /nfs/dbraw/zinc/09/80/55/1136098055.db2.gz XOLDEIDHAWLDPK-VQTJNVASSA-N 0 3 325.452 3.622 20 30 EHEDHN C#C[C@@H](NC1CCN(C(=O)OCC(C)C)CC1)c1ccc(Cl)cc1 ZINC000811516334 1136104220 /nfs/dbraw/zinc/10/42/20/1136104220.db2.gz LRJOKCZOMYFGGW-GOSISDBHSA-N 0 3 348.874 3.861 20 30 EHEDHN C#CCOc1cccc(Cl)c1CNCCN1CCCC(C)(C)C1 ZINC001202176089 1136105720 /nfs/dbraw/zinc/10/57/20/1136105720.db2.gz KKOLHMUKKYERCB-UHFFFAOYSA-N 0 3 334.891 3.564 20 30 EHEDHN C[C@@H]1C(N=Nc2cnnc3ccccc23)CCN1Cc1ccccc1 ZINC000811643927 1136116113 /nfs/dbraw/zinc/11/61/13/1136116113.db2.gz OWHGHJBGCWUXPU-OAHLLOKOSA-N 0 3 331.423 3.692 20 30 EHEDHN C=CCc1cc(CN[C@H](C)c2cccc(CO)c2)cc(OC)c1OC ZINC000776310688 1136151559 /nfs/dbraw/zinc/15/15/59/1136151559.db2.gz SJDOCKQUOUHWHC-OAHLLOKOSA-N 0 3 341.451 3.775 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000747792485 1136218781 /nfs/dbraw/zinc/21/87/81/1136218781.db2.gz SOWRNVBZCLVRDJ-FPOVZHCZSA-N 0 3 336.435 3.655 20 30 EHEDHN CN(C)c1ccc(N2CCC(NCC3(C#N)CCCCC3)CC2)cc1 ZINC000850391532 1136247618 /nfs/dbraw/zinc/24/76/18/1136247618.db2.gz SZQPWMHHGVYVDF-UHFFFAOYSA-N 0 3 340.515 3.785 20 30 EHEDHN Cc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)N)cc([N+](=O)[O-])c1C#N ZINC001170688271 1136259845 /nfs/dbraw/zinc/25/98/45/1136259845.db2.gz XANVZUXORRLNEJ-ZDUSSCGKSA-N 0 3 347.378 3.647 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)Cc1occc1C ZINC000850759704 1136300984 /nfs/dbraw/zinc/30/09/84/1136300984.db2.gz MLXZITTVQLAVOD-INIZCTEOSA-N 0 3 338.407 3.603 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2occc2C)cc1 ZINC000850761275 1136301672 /nfs/dbraw/zinc/30/16/72/1136301672.db2.gz JTCWKZWZRJEGEQ-GUYCJALGSA-N 0 3 338.407 3.992 20 30 EHEDHN CCc1cccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000813215911 1136303577 /nfs/dbraw/zinc/30/35/77/1136303577.db2.gz CTPMXQXMCVADNJ-OAHLLOKOSA-N 0 3 348.324 3.918 20 30 EHEDHN Cc1ccccc1OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813213453 1136303773 /nfs/dbraw/zinc/30/37/73/1136303773.db2.gz MMXFIAKSUGJHDJ-CYBMUJFWSA-N 0 3 334.297 3.664 20 30 EHEDHN COC(CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)OC ZINC000851825347 1136411591 /nfs/dbraw/zinc/41/15/91/1136411591.db2.gz ZFCVKRSHBQGTAJ-UHFFFAOYSA-N 0 3 342.414 3.709 20 30 EHEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)cc(Cl)n1 ZINC000852563569 1136466520 /nfs/dbraw/zinc/46/65/20/1136466520.db2.gz SIAPZXRLUTXKNS-UHFFFAOYSA-N 0 3 341.842 3.711 20 30 EHEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(N2CCCOC2=O)cc1 ZINC000814657482 1136486058 /nfs/dbraw/zinc/48/60/58/1136486058.db2.gz PJECSMCJSQCMPC-QGZVFWFLSA-N 0 3 334.419 3.736 20 30 EHEDHN CCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000748003560 1136604421 /nfs/dbraw/zinc/60/44/21/1136604421.db2.gz CNJGYTFLCMVNOK-GFCCVEGCSA-N 0 3 347.827 3.629 20 30 EHEDHN CC(C)(C)N1CC[C@](F)(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000817325122 1136797516 /nfs/dbraw/zinc/79/75/16/1136797516.db2.gz XUIWRAXONBUZOW-YLJYHZDGSA-N 0 3 345.462 3.750 20 30 EHEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001170882514 1136844554 /nfs/dbraw/zinc/84/45/54/1136844554.db2.gz SXZPJMZKYMQHTD-QAPCUYQASA-N 0 3 343.471 3.541 20 30 EHEDHN Cc1ccc(CNC[C@@H](O)c2ccc(C#N)cc2)c(OC(C)(C)C)c1 ZINC000819143609 1136913519 /nfs/dbraw/zinc/91/35/19/1136913519.db2.gz IULQTWCJKRUHKS-LJQANCHMSA-N 0 3 338.451 3.867 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000860463310 1137061492 /nfs/dbraw/zinc/06/14/92/1137061492.db2.gz AEAIFAVEIZREOI-OKZBNKHCSA-N 0 3 344.430 3.725 20 30 EHEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000860468271 1137061856 /nfs/dbraw/zinc/06/18/56/1137061856.db2.gz BFIWEVQRARIHDP-FUHWJXTLSA-N 0 3 338.407 3.692 20 30 EHEDHN C[C@H](CN(C)Cc1ccc(C2(C#N)CC2)cc1)NC(=O)OC(C)(C)C ZINC000862541445 1137149332 /nfs/dbraw/zinc/14/93/32/1137149332.db2.gz QRBARCVPPPJUNW-OAHLLOKOSA-N 0 3 343.471 3.587 20 30 EHEDHN N=C(N[C@@H]1CCc2cc(Cl)cc(Cl)c2C1)c1ccc(F)cn1 ZINC001171064920 1137151002 /nfs/dbraw/zinc/15/10/02/1137151002.db2.gz UHQOZMFYZDSKKV-GFCCVEGCSA-N 0 3 338.213 3.790 20 30 EHEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1c[nH]c3cccc(F)c13)C2 ZINC001136983438 1137163868 /nfs/dbraw/zinc/16/38/68/1137163868.db2.gz SDPINKCXDKFRPO-OXQOHEQNSA-N 0 3 344.430 3.633 20 30 EHEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3ccc4c(c3)COC4)C2)c1 ZINC001137028340 1137175428 /nfs/dbraw/zinc/17/54/28/1137175428.db2.gz ITMFQFWCFFICIN-NRFANRHFSA-N 0 3 334.419 3.632 20 30 EHEDHN C#Cc1cccc(N(CC)C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000844376828 1137218101 /nfs/dbraw/zinc/21/81/01/1137218101.db2.gz UZYSIRIYAVXQMX-HOTGVXAUSA-N 0 3 339.357 3.768 20 30 EHEDHN N=C(N[C@H]1CCc2cc(Cl)c(Cl)cc2C1)c1ccc(F)cn1 ZINC001171146745 1137245304 /nfs/dbraw/zinc/24/53/04/1137245304.db2.gz YQLKKJFFVNVSFK-LBPRGKRZSA-N 0 3 338.213 3.790 20 30 EHEDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000772918742 1137280267 /nfs/dbraw/zinc/28/02/67/1137280267.db2.gz PVADXJHHRZJFIP-MRXNPFEDSA-N 0 3 347.434 3.577 20 30 EHEDHN COc1ccc(CNCc2ccc(CC(F)(F)F)cc2)cc1C#N ZINC000865506006 1137289706 /nfs/dbraw/zinc/28/97/06/1137289706.db2.gz KQTKSOKGASMAPK-UHFFFAOYSA-N 0 3 334.341 3.961 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cn(Cc2cccc(F)c2)cn1 ZINC001171197604 1137306340 /nfs/dbraw/zinc/30/63/40/1137306340.db2.gz AVCOJYDJTLDBDE-INIZCTEOSA-N 0 3 348.425 3.663 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000865731447 1137307507 /nfs/dbraw/zinc/30/75/07/1137307507.db2.gz OBGCNRTWHUYQTI-CHWSQXEVSA-N 0 3 337.379 3.675 20 30 EHEDHN N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)C1C[C@@]1(F)c1ccccc1 ZINC000845842374 1137315444 /nfs/dbraw/zinc/31/54/44/1137315444.db2.gz FSKYHMWQCRZOGR-JBYIUTFZSA-N 0 3 347.389 3.881 20 30 EHEDHN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846010699 1137325306 /nfs/dbraw/zinc/32/53/06/1137325306.db2.gz NBQJVFMLXCSNFH-CVEARBPZSA-N 0 3 335.492 3.838 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(C2(c3ccccc3)CC2)CC1 ZINC001171227931 1137353957 /nfs/dbraw/zinc/35/39/57/1137353957.db2.gz CLLTWUAFSVFUSK-IBGZPJMESA-N 0 3 345.490 3.796 20 30 EHEDHN C=CC(C)(C)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001148727309 1137432260 /nfs/dbraw/zinc/43/22/60/1137432260.db2.gz NNLHCIMQVXJCHX-KRWDZBQOSA-N 0 3 332.463 3.756 20 30 EHEDHN C=CCc1cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c([O-])c(OC)c1 ZINC000773257337 1137482155 /nfs/dbraw/zinc/48/21/55/1137482155.db2.gz DCSWNVQFHPPHAT-MSOLQXFVSA-N 0 3 345.483 3.768 20 30 EHEDHN C=CCc1cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c([O-])c(OC)c1 ZINC000773257337 1137482157 /nfs/dbraw/zinc/48/21/57/1137482157.db2.gz DCSWNVQFHPPHAT-MSOLQXFVSA-N 0 3 345.483 3.768 20 30 EHEDHN CCCN(CCC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172094292 1137532510 /nfs/dbraw/zinc/53/25/10/1137532510.db2.gz JYAHLDZPXLHYMO-BJWYYQGGSA-N 0 3 335.492 3.933 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(C2(c3ccccc3)CC2)CC1 ZINC001172310971 1137545970 /nfs/dbraw/zinc/54/59/70/1137545970.db2.gz MQNRMUHCGWXQIV-LJQANCHMSA-N 0 3 345.490 3.796 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1ccn(Cc2ccccc2)n1 ZINC001172298030 1137549102 /nfs/dbraw/zinc/54/91/02/1137549102.db2.gz TWQZWJHTOFGVGW-QGZVFWFLSA-N 0 3 330.435 3.524 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cn(Cc2ccccc2F)cn1 ZINC001172300260 1137549258 /nfs/dbraw/zinc/54/92/58/1137549258.db2.gz UIXKFYLMRQXWRR-INIZCTEOSA-N 0 3 348.425 3.663 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cn(Cc2cccc(F)c2)cn1 ZINC001172300338 1137549463 /nfs/dbraw/zinc/54/94/63/1137549463.db2.gz VNNQNLFUYFRDBX-INIZCTEOSA-N 0 3 348.425 3.663 20 30 EHEDHN C=CCOC[C@@H]1CCC[C@@]12CN([C@@H](C)CCO[C@H](C)CC)CCO2 ZINC001172341705 1137552558 /nfs/dbraw/zinc/55/25/58/1137552558.db2.gz XEPKEROKYZIGEX-ZGXWSNOMSA-N 0 3 339.520 3.654 20 30 EHEDHN C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cccc([O-])c1F ZINC000872093268 1137570944 /nfs/dbraw/zinc/57/09/44/1137570944.db2.gz UFCOJLSJRBFGLB-CQSZACIVSA-N 0 3 339.414 3.723 20 30 EHEDHN C#CC[C@@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000825639994 1137586582 /nfs/dbraw/zinc/58/65/82/1137586582.db2.gz WPUNWKQYRUQOOK-AEFFLSMTSA-N 0 3 347.528 3.576 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000876589939 1137656424 /nfs/dbraw/zinc/65/64/24/1137656424.db2.gz QXXPRMBXBYYKPT-NOZJJQNGSA-N 0 3 335.662 3.983 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000876597316 1137656626 /nfs/dbraw/zinc/65/66/26/1137656626.db2.gz RNEFVSJGIOHPRP-IAQYHMDHSA-N 0 3 349.887 3.766 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000876601245 1137656846 /nfs/dbraw/zinc/65/68/46/1137656846.db2.gz ZCDAIHNAABMDII-INIZCTEOSA-N 0 3 342.817 3.706 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000876685061 1137659037 /nfs/dbraw/zinc/65/90/37/1137659037.db2.gz MOIXKRUTMXFIBT-CYBMUJFWSA-N 0 3 346.780 3.671 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000876685590 1137659069 /nfs/dbraw/zinc/65/90/69/1137659069.db2.gz SMTNEZJDBYQBIC-ZAOWEBSESA-N 0 3 327.255 3.623 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000876683932 1137659080 /nfs/dbraw/zinc/65/90/80/1137659080.db2.gz YVOJNHITXAEXGT-MOPGFXCFSA-N 0 3 342.870 3.599 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(CCc1ccc(C)cc1)Cc1ccco1 ZINC000876989187 1137667202 /nfs/dbraw/zinc/66/72/02/1137667202.db2.gz RAFJAIZOZOQWPS-SFHVURJKSA-N 0 3 346.858 3.629 20 30 EHEDHN COC[C@H](NCCC(C)(C)C#N)c1cccc(Br)c1 ZINC000879663220 1137754268 /nfs/dbraw/zinc/75/42/68/1137754268.db2.gz VTTRWBUZIBBESH-AWEZNQCLSA-N 0 3 325.250 3.666 20 30 EHEDHN C=CCCC[C@H](NCC(=O)Nc1c(C)n[nH]c1C)c1ccccc1 ZINC000880388744 1137777646 /nfs/dbraw/zinc/77/76/46/1137777646.db2.gz NZOOWMFUDKXEDD-KRWDZBQOSA-N 0 3 326.444 3.652 20 30 EHEDHN C=CCC[C@H](NCc1ccncc1OCC(F)(F)F)[C@@H]1CCCO1 ZINC000883220613 1137849156 /nfs/dbraw/zinc/84/91/56/1137849156.db2.gz MSXOQIZNZSVKNP-GJZGRUSLSA-N 0 3 344.377 3.626 20 30 EHEDHN CCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC000883280056 1137852215 /nfs/dbraw/zinc/85/22/15/1137852215.db2.gz OXJQITRSUKTYFU-UHFFFAOYSA-N 0 3 343.471 3.828 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(OCC)c(OC)c2)cc1 ZINC000113321345 1137912732 /nfs/dbraw/zinc/91/27/32/1137912732.db2.gz BVRQLGLRQMOTHO-UHFFFAOYSA-N 0 3 339.435 3.786 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)CC1 ZINC000331784219 1137920514 /nfs/dbraw/zinc/92/05/14/1137920514.db2.gz MGHWQEQRFCJWQC-QGZVFWFLSA-N 0 3 345.487 3.551 20 30 EHEDHN C#CCC1(NCc2cccc(Br)c2Cl)CCOCC1 ZINC000886379142 1138072599 /nfs/dbraw/zinc/07/25/99/1138072599.db2.gz POKSILGAEBSAPH-UHFFFAOYSA-N 0 3 342.664 3.765 20 30 EHEDHN C=CCCCN(C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000076937134 1138135791 /nfs/dbraw/zinc/13/57/91/1138135791.db2.gz GDMPPSLZYKFSDU-UHFFFAOYSA-N 0 3 344.503 3.567 20 30 EHEDHN C[C@H](NCc1ccc(Cl)cc1-n1cncn1)c1ccc(C#N)cc1 ZINC000338361728 1138857196 /nfs/dbraw/zinc/85/71/96/1138857196.db2.gz DJZRDWHHZQIKJN-ZDUSSCGKSA-N 0 3 337.814 3.643 20 30 EHEDHN CC[C@@H]1Oc2cc([C@H](C)NCc3cccc(C#N)c3)ccc2NC1=O ZINC000174139410 1139401478 /nfs/dbraw/zinc/40/14/78/1139401478.db2.gz QHOGYVLSNXZKLX-UGSOOPFHSA-N 0 3 335.407 3.519 20 30 EHEDHN CN(CCCC(C)(C)C#N)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000174873354 1139446918 /nfs/dbraw/zinc/44/69/18/1139446918.db2.gz ISVBYJKJAPILTC-UHFFFAOYSA-N 0 3 340.370 3.778 20 30 EHEDHN C[C@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)CN1C1CC1 ZINC000177089473 1139597732 /nfs/dbraw/zinc/59/77/32/1139597732.db2.gz AQMBJJYRTPGHES-RDJZCZTQSA-N 0 3 345.446 3.580 20 30 EHEDHN CCN(Cc1ccc(-n2ccnc2)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000177258686 1139608122 /nfs/dbraw/zinc/60/81/22/1139608122.db2.gz IWSJUQRSVZVIGI-MRXNPFEDSA-N 0 3 331.423 3.722 20 30 EHEDHN CN(CCC#N)c1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000179622680 1139769546 /nfs/dbraw/zinc/76/95/46/1139769546.db2.gz SQBVRBMWMRTSEC-HNNXBMFYSA-N 0 3 325.378 3.811 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)s1 ZINC000180637789 1139852605 /nfs/dbraw/zinc/85/26/05/1139852605.db2.gz LKGXDCOIRDDAKJ-YJBOKZPZSA-N 0 3 330.428 3.847 20 30 EHEDHN C[C@@H](NCc1ccc(OCC2CC2)nc1)c1ccc(OCC#N)cc1 ZINC000181639036 1139921059 /nfs/dbraw/zinc/92/10/59/1139921059.db2.gz VFNHLCVWSUYKBZ-OAHLLOKOSA-N 0 3 337.423 3.624 20 30 EHEDHN COc1cc(F)ccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182575811 1139980568 /nfs/dbraw/zinc/98/05/68/1139980568.db2.gz XOVOBKBYGIJKGP-UHFFFAOYSA-N 0 3 339.414 3.782 20 30 EHEDHN COc1ccc(Br)cc1CN(C)CCCSCC#N ZINC000266686230 1140716493 /nfs/dbraw/zinc/71/64/93/1140716493.db2.gz AVJBFGBOMUFHKL-UHFFFAOYSA-N 0 3 343.290 3.536 20 30 EHEDHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1NC(C)=O ZINC000268794589 1140994040 /nfs/dbraw/zinc/99/40/40/1140994040.db2.gz HKIQKMFTEQQBFQ-ZIAGYGMSSA-N 0 3 337.423 3.937 20 30 EHEDHN COc1cc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc(OC)c1OC ZINC000268999915 1141043140 /nfs/dbraw/zinc/04/31/40/1141043140.db2.gz UOFIEVGUVUYSER-KBPBESRZSA-N 0 3 340.423 3.996 20 30 EHEDHN N#Cc1ccc(CNc2cccc(CN3CCSCC3)c2)c(F)c1 ZINC000269446576 1141109513 /nfs/dbraw/zinc/10/95/13/1141109513.db2.gz UVUDXZALCPHREH-UHFFFAOYSA-N 0 3 341.455 3.858 20 30 EHEDHN C=CCOc1cccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000270130893 1141182724 /nfs/dbraw/zinc/18/27/24/1141182724.db2.gz POCVOJYGINTUIC-CMJOXMDJSA-N 0 3 329.465 3.840 20 30 EHEDHN CC(C)c1nnc([C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)[n-]1 ZINC000271454736 1141371887 /nfs/dbraw/zinc/37/18/87/1141371887.db2.gz GQBUNLJMTPTQDT-XRTORIHISA-N 0 3 337.471 3.983 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000271562173 1141397762 /nfs/dbraw/zinc/39/77/62/1141397762.db2.gz UOMQIRILLQOOLX-CCHLGUQTSA-N 0 3 341.476 3.848 20 30 EHEDHN C#CC[C@H](N[C@H](C)c1cccc(N2CCOCC2)c1)c1ccccc1 ZINC000271569236 1141399918 /nfs/dbraw/zinc/39/99/18/1141399918.db2.gz VMKCWQHHVMRHIA-GCJKJVERSA-N 0 3 334.463 3.938 20 30 EHEDHN C#CC[C@@H](NCCCS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000271693533 1141419458 /nfs/dbraw/zinc/41/94/58/1141419458.db2.gz KXOLQOHROCWQIU-HXUWFJFHSA-N 0 3 341.476 3.513 20 30 EHEDHN C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824585503 946834894 /nfs/dbraw/zinc/83/48/94/946834894.db2.gz RVDWTFPSRZDMTE-OAHLLOKOSA-N 0 3 346.438 3.878 20 30 EHEDHN C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824585503 946834902 /nfs/dbraw/zinc/83/49/02/946834902.db2.gz RVDWTFPSRZDMTE-OAHLLOKOSA-N 0 3 346.438 3.878 20 30 EHEDHN N#CC(C(=O)CCCC1CCCCC1)C(=O)NCc1ccccc1 ZINC000049489436 1014200430 /nfs/dbraw/zinc/20/04/30/1014200430.db2.gz UGLQZVZPMOFTNX-GOSISDBHSA-N 0 3 326.440 3.762 20 30 EHEDHN C=C(Br)CN[C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000161376158 1031505550 /nfs/dbraw/zinc/50/55/50/1031505550.db2.gz XCDMWOMSCOIBNF-STQMWFEESA-N 0 3 347.297 3.663 20 30 EHEDHN Cc1cc(C)c([C@@H](C)N2CCN(c3cnccc3C#N)CC2)c(C)c1 ZINC000577696067 1014467240 /nfs/dbraw/zinc/46/72/40/1014467240.db2.gz VMEBUTJTYJVJBD-GOSISDBHSA-N 0 3 334.467 3.762 20 30 EHEDHN C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000274694584 1014555126 /nfs/dbraw/zinc/55/51/26/1014555126.db2.gz MFPSDUSCNUVSRI-BEFAXECRSA-N 0 3 336.439 3.566 20 30 EHEDHN CCOc1ccc(N(CCC#N)C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1 ZINC000413358910 1014633149 /nfs/dbraw/zinc/63/31/49/1014633149.db2.gz NJWROJQNHBZLSH-ZACQAIPSSA-N 0 3 343.471 3.593 20 30 EHEDHN C[C@@H]1CCN(c2nccc(C#N)c2Cl)CCN1Cc1ccccc1 ZINC000342781466 1015124034 /nfs/dbraw/zinc/12/40/34/1015124034.db2.gz HELHYTPVRQGDMT-OAHLLOKOSA-N 0 3 340.858 3.707 20 30 EHEDHN C[C@H]1CCN(c2nccc(C#N)c2Cl)CCN1Cc1ccccc1 ZINC000342781465 1015146360 /nfs/dbraw/zinc/14/63/60/1015146360.db2.gz HELHYTPVRQGDMT-HNNXBMFYSA-N 0 3 340.858 3.707 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc2c(c(OC)c1)OCO2 ZINC000339711757 1015595230 /nfs/dbraw/zinc/59/52/30/1015595230.db2.gz ZLUDZUIXNKFTSD-UHFFFAOYSA-N 0 3 338.407 3.708 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000533513636 1015871305 /nfs/dbraw/zinc/87/13/05/1015871305.db2.gz LXOZHFCXCXOLIB-ADLFWFRXSA-N 0 3 345.462 3.699 20 30 EHEDHN Cc1nsc(NC[C@]2(C)CCCN2Cc2ccccc2)c1C#N ZINC000343026967 1015882243 /nfs/dbraw/zinc/88/22/43/1015882243.db2.gz PPBIJKNIRMFQNW-SFHVURJKSA-N 0 3 326.469 3.790 20 30 EHEDHN N#CCCn1cc(C(=O)CN2C[C@H]3CCCC[C@@H]3C2)c2ccccc21 ZINC000177559913 1016371636 /nfs/dbraw/zinc/37/16/36/1016371636.db2.gz WHFHSZYMCPJGSV-IAGOWNOFSA-N 0 3 335.451 3.860 20 30 EHEDHN CC[C@@H](Cc1ccc(Br)cc1)NC[C@@H](C#N)CCC#N ZINC000596066384 1034067647 /nfs/dbraw/zinc/06/76/47/1034067647.db2.gz NWKPXNDZTDQUHF-ZBFHGGJFSA-N 0 3 334.261 3.803 20 30 EHEDHN Cc1ncccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000178317796 1016595936 /nfs/dbraw/zinc/59/59/36/1016595936.db2.gz MKJWCYSVAYXXMA-GFCCVEGCSA-N 0 3 326.306 3.625 20 30 EHEDHN CC(C)(C)OC(=O)CC[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000414564084 1016969519 /nfs/dbraw/zinc/96/95/19/1016969519.db2.gz XABQAKAQFSNQEZ-AWEZNQCLSA-N 0 3 334.485 3.954 20 30 EHEDHN C=CCN(CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)C1CC1 ZINC000536745152 1032227767 /nfs/dbraw/zinc/22/77/67/1032227767.db2.gz HDCOJPKONLPDBI-LBPRGKRZSA-N 0 3 342.512 3.591 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000538364770 1032312004 /nfs/dbraw/zinc/31/20/04/1032312004.db2.gz JQCKJJVHYJAUGO-IEBWSBKVSA-N 0 3 329.488 3.647 20 30 EHEDHN C=CCCCC[C@H](C)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000449293713 1032434667 /nfs/dbraw/zinc/43/46/67/1032434667.db2.gz JAEJVZVOSWUGIB-SWLSCSKDSA-N 0 3 339.277 3.700 20 30 EHEDHN CCCCN(Cc1ccccc1Cl)C(=O)[C@H](N)CCCCC#N ZINC000594439883 1033376157 /nfs/dbraw/zinc/37/61/57/1033376157.db2.gz RVESTIPPDJAZPJ-QGZVFWFLSA-N 0 3 335.879 3.880 20 30 EHEDHN CCc1cc(C#N)c(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)s1 ZINC000593036897 1032673404 /nfs/dbraw/zinc/67/34/04/1032673404.db2.gz JMUNTQAZDVTNBV-PWSUYJOCSA-N 0 3 346.374 3.868 20 30 EHEDHN CCO[C@@H]1CCN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@H]1C ZINC000449503038 1032684161 /nfs/dbraw/zinc/68/41/61/1032684161.db2.gz XGZMGCOCNOZFGH-SJLPKXTDSA-N 0 3 346.471 3.625 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000275592776 1017406210 /nfs/dbraw/zinc/40/62/10/1017406210.db2.gz JYXUOINVPHUAMW-OAHLLOKOSA-N 0 3 349.434 3.676 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000275592895 1017409831 /nfs/dbraw/zinc/40/98/31/1017409831.db2.gz KCGBWQUAIHGEKR-VKJFTORMSA-N 0 3 343.471 3.854 20 30 EHEDHN C=CCN1CCC(Nc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000579946432 1017604465 /nfs/dbraw/zinc/60/44/65/1017604465.db2.gz MFFDXZOHLMFMBC-UHFFFAOYSA-N 0 3 326.831 3.822 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2coc3ccc(CC)cc23)CC1 ZINC000510314819 1018359338 /nfs/dbraw/zinc/35/93/38/1018359338.db2.gz MZRYGOBIRNFYRL-UHFFFAOYSA-N 0 3 326.440 3.766 20 30 EHEDHN C=CCCc1ccccc1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000415669284 1018372511 /nfs/dbraw/zinc/37/25/11/1018372511.db2.gz FUKRQYSQGUUYRK-HXUWFJFHSA-N 0 3 335.451 3.814 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2ccccc2C)c([O-])c1 ZINC000255164210 1018499154 /nfs/dbraw/zinc/49/91/54/1018499154.db2.gz APPAPANZFDSWFB-GAASDFDMSA-N 0 3 326.440 3.699 20 30 EHEDHN C[C@H]1C[C@H]1c1noc(CC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000593075017 1032770578 /nfs/dbraw/zinc/77/05/78/1032770578.db2.gz ACATZMUDEKBWCB-KBXCAEBGSA-N 0 3 336.439 3.519 20 30 EHEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)CCN(Cc2ccccc2)C1 ZINC000449551290 1032778669 /nfs/dbraw/zinc/77/86/69/1032778669.db2.gz FODUTSSKILMUDQ-INIZCTEOSA-N 0 3 325.481 3.574 20 30 EHEDHN CCCCCC(=O)NC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000614396879 1018961735 /nfs/dbraw/zinc/96/17/35/1018961735.db2.gz XFSYJEZNWZVZNK-UHFFFAOYSA-N 0 3 327.472 3.528 20 30 EHEDHN C[C@H](c1ccco1)N(CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000119129507 1019434686 /nfs/dbraw/zinc/43/46/86/1019434686.db2.gz JJZHZGCZFFKZEY-GFCCVEGCSA-N 0 3 329.425 3.767 20 30 EHEDHN CC[C@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCCCO1 ZINC000594043799 1032870681 /nfs/dbraw/zinc/87/06/81/1032870681.db2.gz OWPQSQQLYQAVTL-HOTGVXAUSA-N 0 3 337.261 3.758 20 30 EHEDHN CC(C)(C#N)CCCN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280284319 1020252189 /nfs/dbraw/zinc/25/21/89/1020252189.db2.gz DRNNMTMEWODBSI-ZDUSSCGKSA-N 0 3 330.350 3.538 20 30 EHEDHN COCc1ccccc1/C=C(/C)CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897599772 1032894063 /nfs/dbraw/zinc/89/40/63/1032894063.db2.gz VFXHINKTCWFTLT-LGMDPLHJSA-N 0 3 341.451 3.574 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000760356204 1032895696 /nfs/dbraw/zinc/89/56/96/1032895696.db2.gz FYFNSLKAVIDBSH-IBGZPJMESA-N 0 3 344.418 3.991 20 30 EHEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000156814823 1020432325 /nfs/dbraw/zinc/43/23/25/1020432325.db2.gz AIKGIHSOSRUNQC-DZGCQCFKSA-N 0 3 341.461 4.000 20 30 EHEDHN CN(C)Cc1cccc(NC(=O)NC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594062183 1032933426 /nfs/dbraw/zinc/93/34/26/1032933426.db2.gz RVSDFPIHHRYHID-UHFFFAOYSA-N 0 3 348.450 3.821 20 30 EHEDHN CCc1nc(C)c([C@@H](C)N(C)C[C@@H](O)c2cccc(C#N)c2)s1 ZINC001167464060 1020929921 /nfs/dbraw/zinc/92/99/21/1020929921.db2.gz FCUNYCBIGPEPCN-CZUORRHYSA-N 0 3 329.469 3.612 20 30 EHEDHN COc1ccc(O)c(/C=N\C[C@@H](c2cccs2)N2CCCC2)c1 ZINC000255311855 1020991676 /nfs/dbraw/zinc/99/16/76/1020991676.db2.gz OGOGLKVXSCULMV-JJBLJPBOSA-N 0 3 330.453 3.718 20 30 EHEDHN CC(C)CN(CCN(C)C)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458799005 1032948168 /nfs/dbraw/zinc/94/81/68/1032948168.db2.gz IUPKFEDCNLSPMG-LJQANCHMSA-N 0 3 344.503 3.651 20 30 EHEDHN C[C@@H](N[C@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000426285222 1021167519 /nfs/dbraw/zinc/16/75/19/1021167519.db2.gz ADTGSFCTKWBSMZ-HIFRSBDPSA-N 0 3 327.378 3.766 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000761026203 1032964942 /nfs/dbraw/zinc/96/49/42/1032964942.db2.gz SPCBLAISXBLDJJ-WBVHZDCISA-N 0 3 336.476 3.520 20 30 EHEDHN CC[C@](C)(C#N)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000507493189 1021306135 /nfs/dbraw/zinc/30/61/35/1021306135.db2.gz SJRAOBJPUVAJSU-AZUAARDMSA-N 0 3 327.472 3.516 20 30 EHEDHN C#CCN1CCC(C(=O)NC(C)(C)c2ccc(C(C)C)cc2)CC1 ZINC000729434188 1021401302 /nfs/dbraw/zinc/40/13/02/1021401302.db2.gz YFGNJDITYDVWDV-UHFFFAOYSA-N 0 3 326.484 3.507 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2cccc3ccccc32)CC1 ZINC000894855250 1021441525 /nfs/dbraw/zinc/44/15/25/1021441525.db2.gz OZNMKDAIMKORLW-OAQYLSRUSA-N 0 3 334.463 3.752 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN(Cc1ccccc1)C1CCCCC1 ZINC000507717099 1021456085 /nfs/dbraw/zinc/45/60/85/1021456085.db2.gz JGENBRFDRULZCP-NRFANRHFSA-N 0 3 341.499 3.876 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000602600335 1032996242 /nfs/dbraw/zinc/99/62/42/1032996242.db2.gz FRCGZTDRGHDYCV-ROUUACIJSA-N 0 3 331.435 3.584 20 30 EHEDHN N#CC1(CNC2CCN(Cc3ccccc3Cl)CC2)CCCC1 ZINC000593653780 1032997275 /nfs/dbraw/zinc/99/72/75/1032997275.db2.gz WYQHXPIZZWWMSO-UHFFFAOYSA-N 0 3 331.891 3.978 20 30 EHEDHN C[C@H](NC[C@@H]1CSc2ccccc2O1)c1ccc(C#N)cc1F ZINC000519154223 1021888107 /nfs/dbraw/zinc/88/81/07/1021888107.db2.gz AXQBLGNWARMWMA-GXTWGEPZSA-N 0 3 328.412 3.901 20 30 EHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000178176407 1021932687 /nfs/dbraw/zinc/93/26/87/1021932687.db2.gz HCDSMZJFBOJOFF-GJZGRUSLSA-N 0 3 335.407 3.927 20 30 EHEDHN C=CCN1CCC(Nc2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000518009379 1021940024 /nfs/dbraw/zinc/94/00/24/1021940024.db2.gz HUXXZZFNWXCPJT-UHFFFAOYSA-N 0 3 344.462 3.781 20 30 EHEDHN N#Cc1ccc(CNC(=O)CN2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000520169173 1021995492 /nfs/dbraw/zinc/99/54/92/1021995492.db2.gz BHJRWTWKFCVEFD-OAQYLSRUSA-N 0 3 347.462 3.792 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@H](c2ccccc2)c2ccccc21 ZINC000602604546 1033021584 /nfs/dbraw/zinc/02/15/84/1033021584.db2.gz YPLYKPCAHSQJBF-QUCCMNQESA-N 0 3 347.462 3.966 20 30 EHEDHN CCOc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1OC ZINC000341469832 1022012030 /nfs/dbraw/zinc/01/20/30/1022012030.db2.gz MDTCASIKSDKSPA-ZDUSSCGKSA-N 0 3 328.387 3.955 20 30 EHEDHN Cc1cc(-c2noc([C@@H](C)NC3CCC(C#N)CC3)n2)ccc1F ZINC000602647579 1033035059 /nfs/dbraw/zinc/03/50/59/1033035059.db2.gz UVUKZKQAHZRKED-DNOWBOINSA-N 0 3 328.391 3.917 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000517384666 1022297679 /nfs/dbraw/zinc/29/76/79/1022297679.db2.gz HMOOODUQYZYCFN-QZTJIDSGSA-N 0 3 348.437 3.711 20 30 EHEDHN N#CCCC[C@H](NCc1cccn(C(F)F)c1=O)c1ccccc1 ZINC000602671638 1033050570 /nfs/dbraw/zinc/05/05/70/1033050570.db2.gz WEVAHPCLQICMCL-INIZCTEOSA-N 0 3 331.366 3.768 20 30 EHEDHN C=CCCCN(C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458894481 1022445090 /nfs/dbraw/zinc/44/50/90/1022445090.db2.gz NBDHXCHKCFOWGB-KRWDZBQOSA-N 0 3 335.517 3.619 20 30 EHEDHN COCC1=CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000187618864 1022447181 /nfs/dbraw/zinc/44/71/81/1022447181.db2.gz DHLRZZDHLPCZEB-UHFFFAOYSA-N 0 3 348.446 3.916 20 30 EHEDHN N#CC(C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1nc2ccccc2[nH]1 ZINC000528907270 1033052408 /nfs/dbraw/zinc/05/24/08/1033052408.db2.gz DYBSNCBGVSAYAW-COCCGSRQSA-N 0 3 347.805 3.978 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000111496012 1022573710 /nfs/dbraw/zinc/57/37/10/1022573710.db2.gz AXYZYVMETMXKTM-VQTJNVASSA-N 0 3 341.499 3.662 20 30 EHEDHN C#C[C@H](NC1CC2(C1)CO[C@@H](C)C2)c1ccc(Br)cc1 ZINC000894669712 1022685491 /nfs/dbraw/zinc/68/54/91/1022685491.db2.gz XRAGIQHHZRIQHB-FDTVDDQNSA-N 0 3 334.257 3.671 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473832939 1022915619 /nfs/dbraw/zinc/91/56/19/1022915619.db2.gz XNXPDNRKERNDOO-QGZVFWFLSA-N 0 3 344.503 3.695 20 30 EHEDHN CN(CCCN(C)Cc1cc(C#N)cs1)Cc1cc(C#N)cs1 ZINC000933773102 1022972672 /nfs/dbraw/zinc/97/26/72/1022972672.db2.gz CEIJLGCOXZHAHA-UHFFFAOYSA-N 0 3 344.509 3.507 20 30 EHEDHN CC[C@@H](O)[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427005337 1023162281 /nfs/dbraw/zinc/16/22/81/1023162281.db2.gz RAFARHISKVSYAL-IAGOWNOFSA-N 0 3 325.374 3.682 20 30 EHEDHN Cc1cccc(C2(NCC(=O)Nc3ccc(C#N)cc3)CCCC2)c1 ZINC000506453457 1023185465 /nfs/dbraw/zinc/18/54/65/1023185465.db2.gz IHRAPXPDEVDVCU-UHFFFAOYSA-N 0 3 333.435 3.864 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1csc(C(F)(F)F)c1 ZINC000602724975 1033113426 /nfs/dbraw/zinc/11/34/26/1033113426.db2.gz PHNISLILUUMNER-LLVKDONJSA-N 0 3 332.391 3.955 20 30 EHEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000337955917 1023406845 /nfs/dbraw/zinc/40/68/45/1023406845.db2.gz OSLXEFMMNYKPFS-FQEVSTJZSA-N 0 3 347.462 3.603 20 30 EHEDHN CCc1ccccc1NC(=O)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000449736957 1033134596 /nfs/dbraw/zinc/13/45/96/1033134596.db2.gz PLJANWDJKLQYPO-CQSZACIVSA-N 0 3 339.414 3.767 20 30 EHEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000535785090 1023633742 /nfs/dbraw/zinc/63/37/42/1023633742.db2.gz TYTSZASLDYEQLP-UHFFFAOYSA-N 0 3 349.482 3.607 20 30 EHEDHN C=CCOc1ccc(CN(Cc2ccccc2)C[C@@H](C)O)cc1OC ZINC000535805446 1023657336 /nfs/dbraw/zinc/65/73/36/1023657336.db2.gz MRSSVSLLZGBDCC-QGZVFWFLSA-N 0 3 341.451 3.643 20 30 EHEDHN N#Cc1ccccc1NC(=O)CCN1CCC(CC(F)(F)F)CC1 ZINC000341990608 1023744227 /nfs/dbraw/zinc/74/42/27/1023744227.db2.gz NMLRHVDAGRJFDX-UHFFFAOYSA-N 0 3 339.361 3.551 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000151031175 1024015301 /nfs/dbraw/zinc/01/53/01/1024015301.db2.gz PVDVHJCCLAZRBX-LJQANCHMSA-N 0 3 341.499 3.749 20 30 EHEDHN C=C(C)CNC(=S)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000057765590 1033180039 /nfs/dbraw/zinc/18/00/39/1033180039.db2.gz BIGUMODFQAMJAV-OAHLLOKOSA-N 0 3 337.558 3.561 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000187710527 1024392796 /nfs/dbraw/zinc/39/27/96/1024392796.db2.gz YKZVTKBCDNIUJO-OXQOHEQNSA-N 0 3 328.456 3.669 20 30 EHEDHN C=CCN(Cc1cc(-n2ccnc2)cs1)Cc1cccc(C#N)c1 ZINC000346161176 1024474210 /nfs/dbraw/zinc/47/42/10/1024474210.db2.gz XEMFYXSEIBPYRJ-UHFFFAOYSA-N 0 3 334.448 3.994 20 30 EHEDHN N#Cc1ccc(C2(NCc3nccc4ccccc43)CCOCC2)cc1 ZINC000895406312 1024480040 /nfs/dbraw/zinc/48/00/40/1024480040.db2.gz UDHUFEHUJBWPHQ-UHFFFAOYSA-N 0 3 343.430 3.902 20 30 EHEDHN N#CC1(c2ccc(CNC3(c4ccc5c(c4)OCCO5)CC3)cc2)CC1 ZINC000897860767 1033230536 /nfs/dbraw/zinc/23/05/36/1033230536.db2.gz ZKJDNDZLJFNXPT-UHFFFAOYSA-N 0 3 346.430 3.792 20 30 EHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(C#N)cs1 ZINC000346510671 1024803621 /nfs/dbraw/zinc/80/36/21/1024803621.db2.gz XKSBZANRGWHFJI-QGZVFWFLSA-N 0 3 341.480 3.506 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)sc(=O)n2C ZINC000425367351 1024878857 /nfs/dbraw/zinc/87/88/57/1024878857.db2.gz SOJOPZNKKRPLIN-CYBMUJFWSA-N 0 3 337.448 3.665 20 30 EHEDHN C=CCC1(O)CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000895835716 1024902423 /nfs/dbraw/zinc/90/24/23/1024902423.db2.gz MNJZONOQDRRMLD-UHFFFAOYSA-N 0 3 331.847 3.633 20 30 EHEDHN CC1(C)CC2(CC(NCc3cc(C#N)ccc3Br)C2)CO1 ZINC000897970394 1033245402 /nfs/dbraw/zinc/24/54/02/1033245402.db2.gz IQFOPJXZEIGQCH-UHFFFAOYSA-N 0 3 349.272 3.758 20 30 EHEDHN CN(C)CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCC1 ZINC000151895427 1024916643 /nfs/dbraw/zinc/91/66/43/1024916643.db2.gz PXFNNIIRJMFTKA-UHFFFAOYSA-N 0 3 342.487 3.826 20 30 EHEDHN C=CCS(=O)(=O)CCN[C@@H](Cc1ccccc1)c1sccc1C ZINC000783530874 1024996655 /nfs/dbraw/zinc/99/66/55/1024996655.db2.gz DIXSSLDXXVQMPF-KRWDZBQOSA-N 0 3 349.521 3.531 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@]2(NCc3csc(C#N)c3)CCC[C@H]12 ZINC000895943269 1024999245 /nfs/dbraw/zinc/99/92/45/1024999245.db2.gz KEBXUVPBFDSRIT-MAUKXSAKSA-N 0 3 347.484 3.641 20 30 EHEDHN N#Cc1ccc(OCCCN2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000051379372 1025039789 /nfs/dbraw/zinc/03/97/89/1025039789.db2.gz QVNRFUOLXWLMRG-UHFFFAOYSA-N 0 3 348.446 3.922 20 30 EHEDHN C=CCOc1ccccc1CN1CC2(CC(OC)(OC)C2)[C@@H]1C(C)C ZINC000895997229 1025051228 /nfs/dbraw/zinc/05/12/28/1025051228.db2.gz XGFQJVFBYBTTFN-IBGZPJMESA-N 0 3 345.483 3.861 20 30 EHEDHN C=CCOc1cccc(CN2CC3(CC(OC)(OC)C3)[C@H]2C(C)C)c1 ZINC000895996083 1025064579 /nfs/dbraw/zinc/06/45/79/1025064579.db2.gz OFYGIWVDELDCNZ-LJQANCHMSA-N 0 3 345.483 3.861 20 30 EHEDHN C#CCC1(O)CCN(Cc2cccc(COc3ccccc3)c2)CC1 ZINC000896025424 1025078109 /nfs/dbraw/zinc/07/81/09/1025078109.db2.gz LWXUIUFMPRRLTI-UHFFFAOYSA-N 0 3 335.447 3.616 20 30 EHEDHN COc1cc(CN[C@H](C)[C@@H](OC)c2ccccc2F)ccc1C#N ZINC000281709044 1025374871 /nfs/dbraw/zinc/37/48/71/1025374871.db2.gz OIOONTOLZKDCDW-BFUOFWGJSA-N 0 3 328.387 3.572 20 30 EHEDHN CSc1ccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000281825262 1025544275 /nfs/dbraw/zinc/54/42/75/1025544275.db2.gz KLHGHQDGAHWFOV-HUUCEWRRSA-N 0 3 345.512 3.790 20 30 EHEDHN CC1(C)c2ccc(C(=O)NCCN3CCCC(C)(C)C3)cc2NC1=O ZINC000329015046 1025569728 /nfs/dbraw/zinc/56/97/28/1025569728.db2.gz PWYHKFRJZWXSTG-UHFFFAOYSA-N 0 3 343.471 3.992 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000178552227 1025578367 /nfs/dbraw/zinc/57/83/67/1025578367.db2.gz FFTIBVPPBWMFQD-HNNXBMFYSA-N 0 3 336.439 3.509 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000118399112 1025598915 /nfs/dbraw/zinc/59/89/15/1025598915.db2.gz DQEPSQKOVQOORO-INIZCTEOSA-N 0 3 339.483 3.780 20 30 EHEDHN CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+][C@@H]1CC13CCCCC3)C2 ZINC000329112347 1025609330 /nfs/dbraw/zinc/60/93/30/1025609330.db2.gz KQJUMYUZCODOME-LSDHHAIUSA-N 0 3 344.503 3.722 20 30 EHEDHN C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336971 1025672976 /nfs/dbraw/zinc/67/29/76/1025672976.db2.gz WLQMMTHKMBQYEN-DLTLXFJOSA-N 0 3 345.874 3.578 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N[C@H](C)C2)N2CCCC2)cc1 ZINC000329360450 1025780462 /nfs/dbraw/zinc/78/04/62/1025780462.db2.gz XYMULSIAZOSVFE-NJAFHUGGSA-N 0 3 343.471 3.843 20 30 EHEDHN COc1cccc(C2CCN(Cc3ccc(OC)c(C#N)c3)CC2)c1 ZINC000548731599 1025908013 /nfs/dbraw/zinc/90/80/13/1025908013.db2.gz NARIKOKLLIRYKZ-UHFFFAOYSA-N 0 3 336.435 3.955 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000522985509 1026023061 /nfs/dbraw/zinc/02/30/61/1026023061.db2.gz YUOCVROVVIIWEG-OAHLLOKOSA-N 0 3 341.455 3.786 20 30 EHEDHN CC[C@@H]1C[C@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC(=O)N1 ZINC000329591588 1026042543 /nfs/dbraw/zinc/04/25/43/1026042543.db2.gz NVIKLCDSHDEDBY-RCCFBDPRSA-N 0 3 343.471 3.925 20 30 EHEDHN CN(C)C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000338406427 1026056866 /nfs/dbraw/zinc/05/68/66/1026056866.db2.gz IGZMPBFQLZWSIE-QGZVFWFLSA-N 0 3 342.830 3.636 20 30 EHEDHN CC(C)[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000451796861 1026301787 /nfs/dbraw/zinc/30/17/87/1026301787.db2.gz ILLOLTSOHXVEQK-XJKSGUPXSA-N 0 3 333.863 3.578 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000523010538 1026366147 /nfs/dbraw/zinc/36/61/47/1026366147.db2.gz JMEAEHQRWWJLOV-BQFCYCMXSA-N 0 3 330.447 3.593 20 30 EHEDHN C=CCN1CCC(Nc2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000301182484 1026714897 /nfs/dbraw/zinc/71/48/97/1026714897.db2.gz PTRINDGPCQHYMX-UHFFFAOYSA-N 0 3 345.450 3.730 20 30 EHEDHN CN(Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@@H]1CCCO1 ZINC000128087341 1026949594 /nfs/dbraw/zinc/94/95/94/1026949594.db2.gz JOAHPDCNCXGZBP-NRFANRHFSA-N 0 3 336.435 3.748 20 30 EHEDHN COc1ccc(C2CCN(Cc3ccc(C#N)cc3OC)CC2)cc1 ZINC000501207690 1027137914 /nfs/dbraw/zinc/13/79/14/1027137914.db2.gz HSHUOGGVBWBYOD-UHFFFAOYSA-N 0 3 336.435 3.955 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3cccc4c3CCO4)CC2)cc1 ZINC000475483857 1027370545 /nfs/dbraw/zinc/37/05/45/1027370545.db2.gz BJGYREAXTZJMAH-UHFFFAOYSA-N 0 3 333.435 3.570 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000121419031 1027641859 /nfs/dbraw/zinc/64/18/59/1027641859.db2.gz NFAHSXBXAXIMCR-UHFFFAOYSA-N 0 3 346.434 3.823 20 30 EHEDHN CC(C)N(Cc1ccc(Br)cc1C#N)C1CCOCC1 ZINC000346958813 1027714210 /nfs/dbraw/zinc/71/42/10/1027714210.db2.gz CAKWKYICMNGUSL-UHFFFAOYSA-N 0 3 337.261 3.710 20 30 EHEDHN N#CCC1(CNCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000430043802 1027778253 /nfs/dbraw/zinc/77/82/53/1027778253.db2.gz GRPBQXBTGWGRLS-UHFFFAOYSA-N 0 3 331.419 3.921 20 30 EHEDHN N#CCCCOc1cccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000414482782 1027935302 /nfs/dbraw/zinc/93/53/02/1027935302.db2.gz GNXLJEGUKQKIQJ-FPOVZHCZSA-N 0 3 336.435 3.677 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccnc(N3CCCCC3)c2)cc1 ZINC000113323712 1027964248 /nfs/dbraw/zinc/96/42/48/1027964248.db2.gz BQSHWWBNTCEKJM-UHFFFAOYSA-N 0 3 349.478 3.764 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000152506820 1028195956 /nfs/dbraw/zinc/19/59/56/1028195956.db2.gz HZZPHHCEIMKLDR-UHFFFAOYSA-N 0 3 344.352 3.615 20 30 EHEDHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000444751258 1028238720 /nfs/dbraw/zinc/23/87/20/1028238720.db2.gz CQPASTUSZQRUCG-IAGOWNOFSA-N 0 3 345.462 3.829 20 30 EHEDHN C=CCCC[C@H](C)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000091518406 1028374087 /nfs/dbraw/zinc/37/40/87/1028374087.db2.gz VJMMFZIPTCHVSV-SFHVURJKSA-N 0 3 343.515 3.604 20 30 EHEDHN Fc1ccc(C#CCN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC000502599020 1028418449 /nfs/dbraw/zinc/41/84/49/1028418449.db2.gz IUUHKASVZHEIAF-HXUWFJFHSA-N 0 3 343.829 3.822 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2C2CCC2)c1 ZINC000343015203 1028643734 /nfs/dbraw/zinc/64/37/34/1028643734.db2.gz NBCLDJRXRIHFEI-HXUWFJFHSA-N 0 3 339.483 3.815 20 30 EHEDHN CC(C)c1sc(NC(=O)[C@@H](N)CCCC#N)nc1-c1ccccc1 ZINC000424085982 1028790022 /nfs/dbraw/zinc/79/00/22/1028790022.db2.gz DAXUDUPFWIRKCH-AWEZNQCLSA-N 0 3 342.468 3.893 20 30 EHEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)nn1 ZINC000424292979 1028933148 /nfs/dbraw/zinc/93/31/48/1028933148.db2.gz HVTUWTCZEUUSSH-CRAIPNDOSA-N 0 3 330.863 3.619 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000454465517 1028937167 /nfs/dbraw/zinc/93/71/67/1028937167.db2.gz OWIKNOVXTRSPAY-INIZCTEOSA-N 0 3 341.499 3.965 20 30 EHEDHN COc1ccc([C@@H](C)CN2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000367244172 1029078646 /nfs/dbraw/zinc/07/86/46/1029078646.db2.gz OSFQVMSUOYZLNM-KRWDZBQOSA-N 0 3 335.451 3.751 20 30 EHEDHN CCN(CC)[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccco1 ZINC000183757482 1029383639 /nfs/dbraw/zinc/38/36/39/1029383639.db2.gz CVYLPZFWZXWGJB-INIZCTEOSA-N 0 3 328.372 3.554 20 30 EHEDHN CC1(C#N)CCN(CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000272527191 1029497964 /nfs/dbraw/zinc/49/79/64/1029497964.db2.gz HZXPSMPXTVUQAO-UHFFFAOYSA-N 0 3 339.361 3.660 20 30 EHEDHN COc1ccc(Cl)cc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000193278017 1029648199 /nfs/dbraw/zinc/64/81/99/1029648199.db2.gz XOSGKQJTABRLHW-ZDUSSCGKSA-N 0 3 340.766 3.909 20 30 EHEDHN Cc1cccc(C(=O)N2CCCN(CCCCC(C)(C)C#N)CC2)c1 ZINC000278219248 1029706662 /nfs/dbraw/zinc/70/66/62/1029706662.db2.gz UFMXZBGCHIYTOR-UHFFFAOYSA-N 0 3 341.499 3.863 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](C(C)C)C2)c1C ZINC000446729850 1029776163 /nfs/dbraw/zinc/77/61/63/1029776163.db2.gz XIWJXKHJFIYFCY-GOSISDBHSA-N 0 3 327.472 3.528 20 30 EHEDHN C=CCN(C)CCN(CC)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000429722010 1029965398 /nfs/dbraw/zinc/96/53/98/1029965398.db2.gz SACMIDZXABRBRS-UHFFFAOYSA-N 0 3 333.863 3.935 20 30 EHEDHN CCN(CC)[C@H](CNCc1ccc(C#N)cc1F)c1ccsc1 ZINC000343270843 1030032861 /nfs/dbraw/zinc/03/28/61/1030032861.db2.gz GRXPTYQZADGCGV-GOSISDBHSA-N 0 3 331.460 3.932 20 30 EHEDHN CC1CC(C#N)(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000532067195 1030331827 /nfs/dbraw/zinc/33/18/27/1030331827.db2.gz IKHBOUPMNXJBNB-BIXGBWIQSA-N 0 3 339.483 3.516 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447770204 1030472569 /nfs/dbraw/zinc/47/25/69/1030472569.db2.gz RTRZCQJPMSJRFI-GOSISDBHSA-N 0 3 327.472 3.606 20 30 EHEDHN C=CCC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000160034176 1030504206 /nfs/dbraw/zinc/50/42/06/1030504206.db2.gz FNQZFAPDXBYMIN-INIZCTEOSA-N 0 3 339.395 3.830 20 30 EHEDHN N#Cc1ccc(N2CCC[C@H](NC3(c4ccccc4)CCC3)C2=O)cc1 ZINC000447852793 1030541471 /nfs/dbraw/zinc/54/14/71/1030541471.db2.gz CVMZRWDQQPTYGW-FQEVSTJZSA-N 0 3 345.446 3.723 20 30 EHEDHN C=CC[C@H]1N([C@@H]2CCCN(CC(F)(F)F)C2=O)CCCC1(C)C ZINC000447879526 1030562373 /nfs/dbraw/zinc/56/23/73/1030562373.db2.gz QZJFNXYZPCGSNG-ZIAGYGMSSA-N 0 3 332.410 3.606 20 30 EHEDHN C=CCC[C@@H](O)CN1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000093259680 1030575335 /nfs/dbraw/zinc/57/53/35/1030575335.db2.gz ROSMLVFODHHRAY-CQSZACIVSA-N 0 3 334.510 3.865 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)CC1 ZINC000278402471 1030630733 /nfs/dbraw/zinc/63/07/33/1030630733.db2.gz GBBXEDBBSCEMGL-PKOBYXMFSA-N 0 3 341.499 3.533 20 30 EHEDHN COc1ccc([C@@H](CNc2nc(C)ccc2C#N)N2CCCC2)cc1 ZINC000160304583 1030662340 /nfs/dbraw/zinc/66/23/40/1030662340.db2.gz VCMMGHLYKCTQOX-LJQANCHMSA-N 0 3 336.439 3.519 20 30 EHEDHN C=CCN(C)CCOc1c(Br)cccc1Br ZINC000482865265 1030760673 /nfs/dbraw/zinc/76/06/73/1030760673.db2.gz XSRYYLPLAOQNBC-UHFFFAOYSA-N 0 3 349.066 3.708 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC(C)C ZINC000172171363 1030843505 /nfs/dbraw/zinc/84/35/05/1030843505.db2.gz BGJYXBQIOMOCHC-OAHLLOKOSA-N 0 3 333.501 3.997 20 30 EHEDHN Cc1cccc2c1ncc(C#N)c2NC[C@H](c1cccs1)N(C)C ZINC000610211448 1030846688 /nfs/dbraw/zinc/84/66/88/1030846688.db2.gz XUVNEZRIAIQGEE-MRXNPFEDSA-N 0 3 336.464 3.613 20 30 EHEDHN C=CCOc1c(Cl)cc(CN(C)[C@@H]2CCSC2)cc1OC ZINC000628132151 1030906191 /nfs/dbraw/zinc/90/61/91/1030906191.db2.gz XMMULRDHCZDSFE-CYBMUJFWSA-N 0 3 327.877 3.851 20 30 EHEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC[C@@H](C2CC2)C1 ZINC000329607150 1031321176 /nfs/dbraw/zinc/32/11/76/1031321176.db2.gz BISUVLQVOXVYSU-GOEBONIOSA-N 0 3 344.455 3.946 20 30 EHEDHN Cn1cc([C@H](NCCCCC(C)(C)C#N)c2ccc(F)cc2)cn1 ZINC000278590344 1031543578 /nfs/dbraw/zinc/54/35/78/1031543578.db2.gz DHESPODDPFHFKM-GOSISDBHSA-N 0 3 328.435 3.958 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCc3ccc(C)cc32)CC1 ZINC000179333199 1031766741 /nfs/dbraw/zinc/76/67/41/1031766741.db2.gz YNTHMKJNJMWDRD-FQEVSTJZSA-N 0 3 341.499 3.712 20 30 EHEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@@H](C2CC2)C1 ZINC000329685020 1031786949 /nfs/dbraw/zinc/78/69/49/1031786949.db2.gz ZTDQCVUDISGYAM-UKRRQHHQSA-N 0 3 330.428 3.556 20 30 EHEDHN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000026250788 1031953223 /nfs/dbraw/zinc/95/32/23/1031953223.db2.gz SGVLRZLMEJNFCL-UHFFFAOYSA-N 0 3 333.844 3.734 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000181160189 1031988358 /nfs/dbraw/zinc/98/83/58/1031988358.db2.gz SGFINWRFTZSUDF-FQEVSTJZSA-N 0 3 341.499 3.868 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CN(CCC(F)(F)F)Cc1ccccc1 ZINC000598615233 1033326658 /nfs/dbraw/zinc/32/66/58/1033326658.db2.gz ICJARPYGYKNAAJ-OAHLLOKOSA-N 0 3 328.378 3.742 20 30 EHEDHN CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594429704 1033365071 /nfs/dbraw/zinc/36/50/71/1033365071.db2.gz VTCGKYANTWLVOU-HXUWFJFHSA-N 0 3 335.451 3.723 20 30 EHEDHN CC(C)(C)C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000594430019 1033366470 /nfs/dbraw/zinc/36/64/70/1033366470.db2.gz XKVWHOIRJDVZCJ-IRXDYDNUSA-N 0 3 333.451 3.830 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000594430854 1033368128 /nfs/dbraw/zinc/36/81/28/1033368128.db2.gz CAXMXXFNZCCFSZ-IBGZPJMESA-N 0 3 333.435 3.654 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000594434624 1033370662 /nfs/dbraw/zinc/37/06/62/1033370662.db2.gz QKZXKKAEULWQJL-DLBZAZTESA-N 0 3 333.863 3.709 20 30 EHEDHN CCC(CC)(NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594435565 1033371005 /nfs/dbraw/zinc/37/10/05/1033371005.db2.gz CRDXNDVJNDWNSM-INIZCTEOSA-N 0 3 335.879 3.883 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000594445764 1033377666 /nfs/dbraw/zinc/37/76/66/1033377666.db2.gz LMCIGQZRPRZMBA-ROUUACIJSA-N 0 3 331.435 3.584 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000594446843 1033377811 /nfs/dbraw/zinc/37/78/11/1033377811.db2.gz XWMIVMXOTWAINP-CYBMUJFWSA-N 0 3 340.254 3.510 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000594445644 1033378900 /nfs/dbraw/zinc/37/89/00/1033378900.db2.gz JLSXKAXUGDCZIR-CYBMUJFWSA-N 0 3 327.350 3.531 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000594456846 1033380514 /nfs/dbraw/zinc/38/05/14/1033380514.db2.gz TVIZGSVKRHWNNV-RTWAWAEBSA-N 0 3 347.462 3.868 20 30 EHEDHN COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594427257 1033390018 /nfs/dbraw/zinc/39/00/18/1033390018.db2.gz IKCHESVGZUQYBM-OALUTQOASA-N 0 3 343.471 3.550 20 30 EHEDHN COc1ccc(C#N)cc1CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000611938809 1033451259 /nfs/dbraw/zinc/45/12/59/1033451259.db2.gz YXHMEUNGBVYOKH-OAQYLSRUSA-N 0 3 349.478 3.884 20 30 EHEDHN COC[C@H](C)Oc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000594941700 1033588095 /nfs/dbraw/zinc/58/80/95/1033588095.db2.gz ZDIUGNOHQBDIOB-AWEZNQCLSA-N 0 3 344.842 3.915 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCC2CCCC2)c1 ZINC000173959946 1033630327 /nfs/dbraw/zinc/63/03/27/1033630327.db2.gz ICLHXSFGMJPDCQ-QGZVFWFLSA-N 0 3 328.412 3.703 20 30 EHEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000173986441 1033663059 /nfs/dbraw/zinc/66/30/59/1033663059.db2.gz YSBBYVLVWDFUPG-YOEHRIQHSA-N 0 3 330.428 3.949 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3cc(C)ccc3s2)CC1 ZINC000574979307 1033749714 /nfs/dbraw/zinc/74/97/14/1033749714.db2.gz CWRPQTXVVODDRC-UHFFFAOYSA-N 0 3 328.481 3.980 20 30 EHEDHN C[C@@]1(CNc2nc(Cl)c(C#N)s2)CCN(Cc2ccccc2)C1 ZINC000309720783 1033775986 /nfs/dbraw/zinc/77/59/86/1033775986.db2.gz MENJDHHYSXOLMO-KRWDZBQOSA-N 0 3 346.887 3.992 20 30 EHEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000595616483 1033902126 /nfs/dbraw/zinc/90/21/26/1033902126.db2.gz RAMFFROFKUTADW-GFCCVEGCSA-N 0 3 340.254 3.948 20 30 EHEDHN N#CC[C@@H]1CCCN(CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000595614646 1033926534 /nfs/dbraw/zinc/92/65/34/1033926534.db2.gz LXGNCDSGAXOLBP-ZDUSSCGKSA-N 0 3 328.334 3.590 20 30 EHEDHN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCC(F)CC1 ZINC000595817636 1033994158 /nfs/dbraw/zinc/99/41/58/1033994158.db2.gz AEXLNANRQYSXEV-YGONEPDPSA-N 0 3 328.391 3.615 20 30 EHEDHN C=CCC1(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCC1 ZINC000595780620 1033996793 /nfs/dbraw/zinc/99/67/93/1033996793.db2.gz WHFKACLGAZFPIW-UHFFFAOYSA-N 0 3 328.372 3.623 20 30 EHEDHN N#Cc1ccc(Cl)cc1NC(=O)CN(C1CC1)C1CCCCC1 ZINC000603875033 1034000309 /nfs/dbraw/zinc/00/03/09/1034000309.db2.gz MORZUXRBKNLLKZ-UHFFFAOYSA-N 0 3 331.847 3.947 20 30 EHEDHN C=CCN1CC[C@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1=O ZINC000282079026 1034030261 /nfs/dbraw/zinc/03/02/61/1034030261.db2.gz UIAIPUKUHGBUHD-JKSUJKDBSA-N 0 3 338.373 3.533 20 30 EHEDHN Cc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1C#N ZINC000599631475 1034056275 /nfs/dbraw/zinc/05/62/75/1034056275.db2.gz WOMZUBJVOBHHAB-UHFFFAOYSA-N 0 3 331.419 3.534 20 30 EHEDHN C=CCN(CCCc1cc(CC)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000450300755 1034056515 /nfs/dbraw/zinc/05/65/15/1034056515.db2.gz SRAJZTFBGCEMII-UHFFFAOYSA-N 0 3 329.400 3.766 20 30 EHEDHN CC[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1cc(C)ccc1C ZINC000599640597 1034065854 /nfs/dbraw/zinc/06/58/54/1034065854.db2.gz KOGYLVIEHRJMCX-KPFFTGBYSA-N 0 3 329.488 3.787 20 30 EHEDHN C=C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C)o1)c1ccccc1 ZINC000119903893 1034268781 /nfs/dbraw/zinc/26/87/81/1034268781.db2.gz HKTZOJUWSCLQEP-SFHVURJKSA-N 0 3 340.467 3.838 20 30 EHEDHN C#C[C@@H](CC)NCc1ccc(Br)c(Br)c1 ZINC000229883719 1034466523 /nfs/dbraw/zinc/46/65/23/1034466523.db2.gz MFJZUXAHMBEAQE-JTQLQIEISA-N 0 3 331.051 3.713 20 30 EHEDHN Cc1cc(C)c(-c2csc(NC(=O)[C@H](N)CCCC#N)n2)c(C)c1 ZINC000584464023 1034553578 /nfs/dbraw/zinc/55/35/78/1034553578.db2.gz JUHXFOLDZQYQJG-CQSZACIVSA-N 0 3 342.468 3.695 20 30 EHEDHN CN(Cc1cccc(OCc2ccccc2C#N)c1)CC1=CCCOC1 ZINC000597205486 1034607931 /nfs/dbraw/zinc/60/79/31/1034607931.db2.gz FXBVHOHFMYINLY-UHFFFAOYSA-N 0 3 348.446 3.916 20 30 EHEDHN N#CC(C(=O)CCc1cscn1)c1nc2ccccc2n1C(F)F ZINC000172021988 1034777394 /nfs/dbraw/zinc/77/73/94/1034777394.db2.gz XDKNTYYMYAAOBC-NSHDSACASA-N 0 3 346.362 3.697 20 30 EHEDHN CC1(C)CC[C@H](CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)OC1 ZINC000892493113 1034885560 /nfs/dbraw/zinc/88/55/60/1034885560.db2.gz BUATUJQRXRHAFC-CABCVRRESA-N 0 3 348.830 3.583 20 30 EHEDHN CN(C)Cc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)c(F)c1 ZINC000413942582 1035263561 /nfs/dbraw/zinc/26/35/61/1035263561.db2.gz WVRZWODMPFNUFN-KRWDZBQOSA-N 0 3 339.414 3.598 20 30 EHEDHN Cc1nc([C@@H](C)NC2CCC(Oc3ncccc3C#N)CC2)cs1 ZINC000581045708 1035473980 /nfs/dbraw/zinc/47/39/80/1035473980.db2.gz OUZQNQJORRNSFM-UWTIGNOOSA-N 0 3 342.468 3.759 20 30 EHEDHN N#Cc1ccc(OCCNCc2ccccc2OC(F)(F)F)cc1 ZINC000540617280 1035507239 /nfs/dbraw/zinc/50/72/39/1035507239.db2.gz JKZAODKBHDYTEZ-UHFFFAOYSA-N 0 3 336.313 3.625 20 30 EHEDHN C=CCNC(=O)CN(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540671210 1035544579 /nfs/dbraw/zinc/54/45/79/1035544579.db2.gz WMBKILLYDSDZFS-JKSUJKDBSA-N 0 3 340.389 3.576 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2c(F)cc(Cl)c(C)c2F)CC1 ZINC000534911504 1035773957 /nfs/dbraw/zinc/77/39/57/1035773957.db2.gz KBLQBRZYNPTNIS-UHFFFAOYSA-N 0 3 343.805 3.699 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(F)(F)CC ZINC000641433241 1035864090 /nfs/dbraw/zinc/86/40/90/1035864090.db2.gz LAYXIEYQTNHWCW-UHFFFAOYSA-N 0 3 344.475 3.630 20 30 EHEDHN CCN(CC)[C@H](C/N=C/c1cccc(OC)c1O)c1ccsc1 ZINC000032070406 1036039708 /nfs/dbraw/zinc/03/97/08/1036039708.db2.gz JEHCQPNXUQMBLB-YDDPGSGASA-N 0 3 332.469 3.964 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccccc1OCCOC ZINC000508643763 1036054644 /nfs/dbraw/zinc/05/46/44/1036054644.db2.gz OKTCEBQSDBLLMI-UHFFFAOYSA-N 0 3 338.451 3.996 20 30 EHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C(=O)N(C)C)cc1 ZINC000589949348 1036674314 /nfs/dbraw/zinc/67/43/14/1036674314.db2.gz HLDIDAGHPYFXCX-XOBRGWDASA-N 0 3 333.435 3.598 20 30 EHEDHN N#CCCN1CCN(CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000590709404 1037018927 /nfs/dbraw/zinc/01/89/27/1037018927.db2.gz DAWRKBLNFLHLBU-UHFFFAOYSA-N 0 3 340.298 3.847 20 30 EHEDHN C=CCN1CCC(NC(=O)CCc2ccc(CC(C)C)cc2)CC1 ZINC000178540968 1037060002 /nfs/dbraw/zinc/06/00/02/1037060002.db2.gz WZOJYKNQWCIWEP-UHFFFAOYSA-N 0 3 328.500 3.584 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CCOC3)n1 ZINC000659114806 1037258262 /nfs/dbraw/zinc/25/82/62/1037258262.db2.gz HJKACGAVMRLSON-HNNXBMFYSA-N 0 3 326.421 3.829 20 30 EHEDHN N#C[C@H]1CC[C@@H](N[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000591659810 1037536509 /nfs/dbraw/zinc/53/65/09/1037536509.db2.gz UUXMPLNXAQKSQW-NKKGCODLSA-N 0 3 349.272 3.951 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000491582021 1037559472 /nfs/dbraw/zinc/55/94/72/1037559472.db2.gz SLYDVIZIMKJGKQ-OALUTQOASA-N 0 3 327.472 3.574 20 30 EHEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000532583328 1037702945 /nfs/dbraw/zinc/70/29/45/1037702945.db2.gz XYEOPHXFQAIHQQ-CQSZACIVSA-N 0 3 335.423 3.541 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000540329363 1037830153 /nfs/dbraw/zinc/83/01/53/1037830153.db2.gz MYQZXPDURAKFCD-BKVYSMKUSA-N 0 3 341.499 3.965 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C(C)C)cc2)CC1 ZINC000592295153 1037912356 /nfs/dbraw/zinc/91/23/56/1037912356.db2.gz CRPRZFMQYRUSQH-UHFFFAOYSA-N 0 3 329.488 3.650 20 30 EHEDHN C[C@H](CNCc1nc(C#N)cs1)c1ccc(C(F)(F)F)cc1 ZINC000574003935 1037969618 /nfs/dbraw/zinc/96/96/18/1037969618.db2.gz DWEGAJFKANBQGO-SNVBAGLBSA-N 0 3 325.359 3.927 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000540556725 1038094484 /nfs/dbraw/zinc/09/44/84/1038094484.db2.gz MZWSJXFKPZTBKW-JKSUJKDBSA-N 0 3 335.517 3.929 20 30 EHEDHN C=CCN(C(=O)[C@H](CC)N(CC)CC)c1nc2c(s1)CCCC2 ZINC000461767040 1038600278 /nfs/dbraw/zinc/60/02/78/1038600278.db2.gz QILJHTRCOBVVTK-HNNXBMFYSA-N 0 3 335.517 3.661 20 30 EHEDHN C=CCCC[C@@H](C)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000539248066 1038741745 /nfs/dbraw/zinc/74/17/45/1038741745.db2.gz HTFWQZOCFMRZFJ-QGZVFWFLSA-N 0 3 340.471 3.599 20 30 EHEDHN CCSc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000539305628 1038775136 /nfs/dbraw/zinc/77/51/36/1038775136.db2.gz WVBOXOOUWDWVFM-DOXZYTNZSA-N 0 3 347.528 3.892 20 30 EHEDHN Cc1ccccc1[C@H](NCC(=O)NCc1cccc(C#N)c1)C(C)(C)C ZINC000539359482 1038845965 /nfs/dbraw/zinc/84/59/65/1038845965.db2.gz LRIUUNOVPJHKRP-NRFANRHFSA-N 0 3 349.478 3.860 20 30 EHEDHN Cc1cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)ccc1C#N ZINC000488111036 1038868710 /nfs/dbraw/zinc/86/87/10/1038868710.db2.gz RFFTYQVHNDGSBQ-UHFFFAOYSA-N 0 3 338.426 3.575 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000416680570 1038892175 /nfs/dbraw/zinc/89/21/75/1038892175.db2.gz HLNVQYVNVKUZEH-OAHLLOKOSA-N 0 3 327.472 3.575 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)COC3)s1 ZINC000584697161 1039552769 /nfs/dbraw/zinc/55/27/69/1039552769.db2.gz MZABIVWTZRAXSX-AWEZNQCLSA-N 0 3 326.421 3.961 20 30 EHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000345047494 1039594241 /nfs/dbraw/zinc/59/42/41/1039594241.db2.gz XNCQRZVGHWNDLM-GJZGRUSLSA-N 0 3 346.500 3.639 20 30 EHEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCC(=O)N2 ZINC000417370304 1039742695 /nfs/dbraw/zinc/74/26/95/1039742695.db2.gz SGHGQPQELYJFCE-SCLBCKFNSA-N 0 3 347.418 3.617 20 30 EHEDHN N#Cc1cccc(CN2CCC(N3CCc4cc(F)ccc43)CC2)c1 ZINC000554830072 1039770117 /nfs/dbraw/zinc/77/01/17/1039770117.db2.gz MFRAFIFQSHHODE-UHFFFAOYSA-N 0 3 335.426 3.724 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)Cc2c(C)cc(C#N)cc2C)c1 ZINC000907147553 1039946131 /nfs/dbraw/zinc/94/61/31/1039946131.db2.gz WEBRNJJXIWMYKY-UHFFFAOYSA-N 0 3 335.451 3.726 20 30 EHEDHN C=C[C@H](CC(=O)NC[C@@H](C)N(C)Cc1ccccc1)c1ccccc1 ZINC000533947833 1039965687 /nfs/dbraw/zinc/96/56/87/1039965687.db2.gz HKAGXZOGSHRIAO-UYAOXDASSA-N 0 3 336.479 3.983 20 30 EHEDHN C=CCN(CCc1ccccc1C(=O)OC)Cc1cccc(C#N)c1 ZINC000480783619 1040008020 /nfs/dbraw/zinc/00/80/20/1040008020.db2.gz COSNTBPBSICMEI-UHFFFAOYSA-N 0 3 334.419 3.576 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@H](Nc3ccccc3)C2)cc1OC ZINC000512613737 1040276034 /nfs/dbraw/zinc/27/60/34/1040276034.db2.gz MUDUKYSCSCZUMR-IBGZPJMESA-N 0 3 338.451 3.946 20 30 EHEDHN COc1ccccc1[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512636540 1040357078 /nfs/dbraw/zinc/35/70/78/1040357078.db2.gz LUBXKUKZESXHEF-IFXJQAMLSA-N 0 3 341.430 3.659 20 30 EHEDHN COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000512637098 1040364987 /nfs/dbraw/zinc/36/49/87/1040364987.db2.gz RLVVVLHMJDCODM-ZBFHGGJFSA-N 0 3 339.414 3.635 20 30 EHEDHN C=CC[C@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000490204899 1040387699 /nfs/dbraw/zinc/38/76/99/1040387699.db2.gz RZHCGJIPQDMUFX-NYVOZVTQSA-N 0 3 348.490 3.983 20 30 EHEDHN COc1cccc(O[C@@H](C)CN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512659340 1040437235 /nfs/dbraw/zinc/43/72/35/1040437235.db2.gz FXKJZCLXKVTMFZ-UONOGXRCSA-N 0 3 328.387 3.824 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000433013928 1040451386 /nfs/dbraw/zinc/45/13/86/1040451386.db2.gz ZYLDGZNLFQPOFC-SFHVURJKSA-N 0 3 325.387 3.789 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433018215 1040459376 /nfs/dbraw/zinc/45/93/76/1040459376.db2.gz GEUIZYRCRDUCIT-NEWSRXKRSA-N 0 3 327.472 3.706 20 30 EHEDHN C[C@@H]1CCC[C@H](C)N1C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433021345 1040471380 /nfs/dbraw/zinc/47/13/80/1040471380.db2.gz QOCXPLLSRUHRFT-SCTDSRPQSA-N 0 3 327.472 3.801 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)N(C1CC1)C1CCCC1)c1ccccc1 ZINC000433035549 1040537310 /nfs/dbraw/zinc/53/73/10/1040537310.db2.gz XXYQINSEUZKZPU-HXUWFJFHSA-N 0 3 339.483 3.945 20 30 EHEDHN CCOC(=O)c1cc(CN[C@H]2CCCc3cc(C#N)ccc32)[nH]c1C ZINC000418136192 1040633375 /nfs/dbraw/zinc/63/33/75/1040633375.db2.gz AFEKNWPAYLRIKU-IBGZPJMESA-N 0 3 337.423 3.539 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)CC1 ZINC000490618150 1040640655 /nfs/dbraw/zinc/64/06/55/1040640655.db2.gz VHFHTJVDKYQTNS-INIZCTEOSA-N 0 3 344.524 3.710 20 30 EHEDHN N#Cc1c(F)cccc1CNC1(Cc2ccc(F)cc2)CCOCC1 ZINC000555572334 1040854048 /nfs/dbraw/zinc/85/40/48/1040854048.db2.gz OPDUZYDNIBUUSR-UHFFFAOYSA-N 0 3 342.389 3.718 20 30 EHEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000925675315 1040955268 /nfs/dbraw/zinc/95/52/68/1040955268.db2.gz VQZMRBJJFCGLCA-PVUWLOKVSA-N 0 3 333.863 3.530 20 30 EHEDHN Cc1nc2cc(CNc3ccc(/N=C/N(C)C)c(C#N)c3)ccc2o1 ZINC001167758021 1041029501 /nfs/dbraw/zinc/02/95/01/1041029501.db2.gz JINLNWBCHVFOJA-WSDLNYQXSA-N 0 3 333.395 3.841 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481620926 1041153496 /nfs/dbraw/zinc/15/34/96/1041153496.db2.gz JJAAAULUHYJPJR-INIZCTEOSA-N 0 3 338.426 3.828 20 30 EHEDHN CC[C@@H](CN(CC)[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000481682967 1041231662 /nfs/dbraw/zinc/23/16/62/1041231662.db2.gz BVIDWHDNDNRQTA-FXAWDEMLSA-N 0 3 335.451 3.600 20 30 EHEDHN CC[C@@H]1CN(Cc2ccc(OCC#N)cc2)CCN1Cc1ccccc1 ZINC000759891643 1041339436 /nfs/dbraw/zinc/33/94/36/1041339436.db2.gz KLVMDAKBBHZESW-OAQYLSRUSA-N 0 3 349.478 3.685 20 30 EHEDHN C[C@H](NCC(=O)N1CCCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543871820 1041634278 /nfs/dbraw/zinc/63/42/78/1041634278.db2.gz ADRFMJJORIRPPL-KRWDZBQOSA-N 0 3 347.462 3.888 20 30 EHEDHN N#Cc1cccc(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000511858909 1041733309 /nfs/dbraw/zinc/73/33/09/1041733309.db2.gz JKSJMHIIBQSORU-HBMCJLEFSA-N 0 3 345.446 3.765 20 30 EHEDHN CN(C)[C@H]1CCOc2c(Nc3cc(C#N)sc3[N+](=O)[O-])cccc21 ZINC000893576111 1042731682 /nfs/dbraw/zinc/73/16/82/1042731682.db2.gz NIUWQACTJZAAGA-AWEZNQCLSA-N 0 3 344.396 3.657 20 30 EHEDHN CC[C@@H](CN(CC)CC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000481734187 1042803450 /nfs/dbraw/zinc/80/34/50/1042803450.db2.gz JWCFNLFTZOUDMX-FQEVSTJZSA-N 0 3 349.478 3.690 20 30 EHEDHN C=CCC(C)(C)CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000432594657 1044434572 /nfs/dbraw/zinc/43/45/72/1044434572.db2.gz UGUCPNGBLBMLMU-GOSISDBHSA-N 0 3 343.515 3.895 20 30 EHEDHN N#CC1CCC(CNCc2nc(Cl)ccc2Br)CC1 ZINC000877500986 1137678607 /nfs/dbraw/zinc/67/86/07/1137678607.db2.gz KNPMAVWZTGPRDU-UHFFFAOYSA-N 0 3 342.668 3.917 20 30 EHEDHN C=CCOc1c(Cl)cc(CN[C@]23C[C@H]2COC3(C)C)cc1OC ZINC000623623580 1126997406 /nfs/dbraw/zinc/99/74/06/1126997406.db2.gz UCAJSKCFGYXYBM-SCLBCKFNSA-N 0 3 337.847 3.571 20 30 EHEDHN C[C@@](C#N)(NC(=O)CN[C@H](CC1CCCC1)c1ccccc1)C1CC1 ZINC000181940566 1127304035 /nfs/dbraw/zinc/30/40/35/1127304035.db2.gz FADSKDUPBDPKKB-CTNGQTDRSA-N 0 3 339.483 3.706 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1N1CCOCC1 ZINC000172395053 1127938251 /nfs/dbraw/zinc/93/82/51/1127938251.db2.gz KJFYRFYKSATUGB-QGZVFWFLSA-N 0 3 335.451 3.588 20 30 EHEDHN COc1cccc([C@@H]2[C@H](NCc3ccccc3C#N)CCN2C2CC2)c1 ZINC000338634363 1127941706 /nfs/dbraw/zinc/94/17/06/1127941706.db2.gz WTTJZLDAFPJFTR-FGZHOGPDSA-N 0 3 347.462 3.634 20 30 EHEDHN COc1cc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000282214195 1128087744 /nfs/dbraw/zinc/08/77/44/1128087744.db2.gz HNVLOPBDFQTPJY-IAGOWNOFSA-N 0 3 342.464 3.716 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3ccccc3)nc2C)CC1 ZINC000106038193 1128479304 /nfs/dbraw/zinc/47/93/04/1128479304.db2.gz BYYSZIYJGKOLBG-UHFFFAOYSA-N 0 3 349.478 3.827 20 30 EHEDHN N#Cc1ccc(N2CC[C@H](N3CCCC4(CCCCC4)C3)C2=O)cc1 ZINC000554077937 1128611452 /nfs/dbraw/zinc/61/14/52/1128611452.db2.gz YLTRCQOADLUGBU-IBGZPJMESA-N 0 3 337.467 3.710 20 30 EHEDHN CCc1ccc([C@@H](NCC(=O)NCc2ccc(C#N)cc2)C(C)C)cc1 ZINC000513592009 1128768281 /nfs/dbraw/zinc/76/82/81/1128768281.db2.gz LOBRMPHGWQQSCJ-QFIPXVFZSA-N 0 3 349.478 3.724 20 30 EHEDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)s1 ZINC000075412794 1128857166 /nfs/dbraw/zinc/85/71/66/1128857166.db2.gz LAOJLFQBKFHTMC-UHFFFAOYSA-N 0 3 342.468 3.524 20 30 EHEDHN N#Cc1cccc(CNCc2cccc(COC3CCOCC3)c2)c1 ZINC000111409856 1128864403 /nfs/dbraw/zinc/86/44/03/1128864403.db2.gz TZSAMKXPVAAVPZ-UHFFFAOYSA-N 0 3 336.435 3.544 20 30 EHEDHN C[C@H](CC(=O)Nc1ccc(F)cc1)NC1(c2cccc(C#N)c2)CC1 ZINC000272174396 1120439689 /nfs/dbraw/zinc/43/96/89/1120439689.db2.gz DPWIZLDWDOPVBJ-CQSZACIVSA-N 0 3 337.398 3.693 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCc3ccc(C(C)C)cc32)CC1 ZINC000186768511 1120473586 /nfs/dbraw/zinc/47/35/86/1120473586.db2.gz VEJXBJWHUWTBKV-FQEVSTJZSA-N 0 3 341.499 3.747 20 30 EHEDHN CN1CC[C@H](NCc2csc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000921931812 1128930908 /nfs/dbraw/zinc/93/09/08/1128930908.db2.gz LLDSDKXFHGRZQT-IRXDYDNUSA-N 0 3 349.862 3.947 20 30 EHEDHN C[C@@H](C/N=C\c1cc(Br)ccc1[O-])[NH+]1CCCCCC1 ZINC000915978847 1122004075 /nfs/dbraw/zinc/00/40/75/1122004075.db2.gz BABCWSXWNCVPIR-CYUIRQCWSA-N 0 3 339.277 3.838 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2cccc(C)c2)CC1 ZINC000077594103 1129046751 /nfs/dbraw/zinc/04/67/51/1129046751.db2.gz RICRHKAFWNSLRQ-UHFFFAOYSA-N 0 3 329.488 3.570 20 30 EHEDHN C=CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)C(C)C ZINC000916707504 1122327135 /nfs/dbraw/zinc/32/71/35/1122327135.db2.gz OEQSGGAXPBPODN-UHFFFAOYSA-N 0 3 344.503 3.565 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCC(C)(F)F ZINC000916907252 1122392360 /nfs/dbraw/zinc/39/23/60/1122392360.db2.gz LPTYPUYYVFTUIR-CQSZACIVSA-N 0 3 336.382 3.894 20 30 EHEDHN CC1CCC(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000917054157 1122450760 /nfs/dbraw/zinc/45/07/60/1122450760.db2.gz VYSCTIJQEYCZGJ-YMAMQOFZSA-N 0 3 341.480 3.983 20 30 EHEDHN CCCCCCCc1ccc(-c2noc([C@H]3CNCCN3C)n2)cc1 ZINC001212224722 1122524892 /nfs/dbraw/zinc/52/48/92/1122524892.db2.gz WAEHTWXFJMBPQM-GOSISDBHSA-N 0 3 342.487 3.826 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc3oc4ccccc4c3c2)CC1 ZINC000919963124 1123247972 /nfs/dbraw/zinc/24/79/72/1123247972.db2.gz CTIMCBDYVBNOCU-UHFFFAOYSA-N 0 3 332.403 3.870 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000074132447 1123254393 /nfs/dbraw/zinc/25/43/93/1123254393.db2.gz NYPKDLBPIOPQME-HXUWFJFHSA-N 0 3 341.499 3.882 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000610141077 1123735166 /nfs/dbraw/zinc/73/51/66/1123735166.db2.gz RSWYZOHKQCSDOU-KRWDZBQOSA-N 0 3 348.450 3.687 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1sccc1C#N)c1cc(F)ccc1F ZINC000179780246 1123854562 /nfs/dbraw/zinc/85/45/62/1123854562.db2.gz WJLCSTXRZZLJNG-OAHLLOKOSA-N 0 3 349.406 3.967 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2cn(C)nc2-c2ccccc2)cc1 ZINC000180415769 1124004447 /nfs/dbraw/zinc/00/44/47/1124004447.db2.gz DFCCVJGGOOWLKO-QGZVFWFLSA-N 0 3 345.446 3.950 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2cn(C)nc2-c2ccccc2)cc1 ZINC000180415749 1124004605 /nfs/dbraw/zinc/00/46/05/1124004605.db2.gz DFCCVJGGOOWLKO-KRWDZBQOSA-N 0 3 345.446 3.950 20 30 EHEDHN COc1ccc(C2(NCc3ccc(C#N)c(F)c3)CCOCC2)cc1 ZINC000616765408 1124033980 /nfs/dbraw/zinc/03/39/80/1124033980.db2.gz FSJPKWOZEFUHCH-UHFFFAOYSA-N 0 3 340.398 3.501 20 30 EHEDHN C[C@H](NCc1cccc(Cn2cccn2)c1)c1ccc(OCC#N)cc1 ZINC000181547835 1124930051 /nfs/dbraw/zinc/93/00/51/1124930051.db2.gz IEPZYIRFMYETPP-KRWDZBQOSA-N 0 3 346.434 3.685 20 30 EHEDHN C=CCOc1ccccc1CN1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000093281469 1125215661 /nfs/dbraw/zinc/21/56/61/1125215661.db2.gz PHMOORBTZVZDLD-QGZVFWFLSA-N 0 3 344.499 3.626 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182573087 1125331785 /nfs/dbraw/zinc/33/17/85/1125331785.db2.gz ISPKTSWRFRPSOB-RBUKOAKNSA-N 0 3 347.890 3.825 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182575778 1125336160 /nfs/dbraw/zinc/33/61/60/1125336160.db2.gz ANRNWESEVRYFGG-IFXJQAMLSA-N 0 3 347.890 3.779 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000619755146 1125395489 /nfs/dbraw/zinc/39/54/89/1125395489.db2.gz UNYIDMDYNSVGNM-CYBMUJFWSA-N 0 3 337.814 3.643 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000466378399 1129409720 /nfs/dbraw/zinc/40/97/20/1129409720.db2.gz LYYHTDRWPKZPQL-PKOBYXMFSA-N 0 3 329.488 3.647 20 30 EHEDHN N#Cc1ccc(C2(NCc3ccc4c(c3)CCCO4)CCOCC2)cc1 ZINC000922292578 1129443758 /nfs/dbraw/zinc/44/37/58/1129443758.db2.gz BYBNJPURJACTLE-UHFFFAOYSA-N 0 3 348.446 3.679 20 30 EHEDHN N#Cc1ccccc1OCCN1CCC(OC2CCCCC2)CC1 ZINC000125421501 1129689965 /nfs/dbraw/zinc/68/99/65/1129689965.db2.gz YNBYZVKBXIXKIB-UHFFFAOYSA-N 0 3 328.456 3.751 20 30 EHEDHN C[C@@H](c1cccc(Cl)c1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000392073026 1129700597 /nfs/dbraw/zinc/70/05/97/1129700597.db2.gz BLNLGQFASIEIME-KBXCAEBGSA-N 0 3 344.842 3.644 20 30 EHEDHN N#CCOc1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000073866440 1129779983 /nfs/dbraw/zinc/77/99/83/1129779983.db2.gz DWYYKXSPCYRDLU-UHFFFAOYSA-N 0 3 336.313 3.777 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000171722759 1130082770 /nfs/dbraw/zinc/08/27/70/1130082770.db2.gz KKKTYFOPSLLDSP-UHFFFAOYSA-N 0 3 344.455 3.934 20 30 EHEDHN CCN1CC[C@H](NCc2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245585065 1130245334 /nfs/dbraw/zinc/24/53/34/1130245334.db2.gz IYTAZUINCYZQKD-ZWKOTPCHSA-N 0 3 347.821 3.869 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3ccco3)s2)CC1 ZINC000675786492 1130478776 /nfs/dbraw/zinc/47/87/76/1130478776.db2.gz QRASTLJZHJZSNO-UHFFFAOYSA-N 0 3 330.453 3.778 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000731213903 1130777615 /nfs/dbraw/zinc/77/76/15/1130777615.db2.gz CVVXDKBSYFSRRC-GOSISDBHSA-N 0 3 336.391 3.655 20 30 EHEDHN C=CCc1cc(OC)cc(CN(C)Cc2ccc(OC)c(F)c2)c1O ZINC000732468640 1130927284 /nfs/dbraw/zinc/92/72/84/1130927284.db2.gz ZACKTESIDCFQGP-UHFFFAOYSA-N 0 3 345.414 3.909 20 30 EHEDHN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000733679301 1131065940 /nfs/dbraw/zinc/06/59/40/1131065940.db2.gz XPLPQDBGXZEJJG-ISTRZQFTSA-N 0 3 348.830 3.583 20 30 EHEDHN CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC000734149432 1131200258 /nfs/dbraw/zinc/20/02/58/1131200258.db2.gz LNFMLFNGLINWJC-AWEZNQCLSA-N 0 3 327.453 3.595 20 30 EHEDHN CSCC[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736319127 1131415890 /nfs/dbraw/zinc/41/58/90/1131415890.db2.gz USFYFHKYYCQQTC-STQMWFEESA-N 0 3 347.509 3.546 20 30 EHEDHN Cc1[nH]c2c(cc(C)cc2CNCc2cnc3ccc(C#N)cn23)c1C ZINC000736639012 1131429503 /nfs/dbraw/zinc/42/95/03/1131429503.db2.gz FPAQEGHCYXNETO-UHFFFAOYSA-N 0 3 343.434 3.902 20 30 EHEDHN N#CCCCOc1cccc(CN[C@@H](CCO)c2cccs2)c1 ZINC000740900638 1131555662 /nfs/dbraw/zinc/55/56/62/1131555662.db2.gz UBXAENYFXIYADY-KRWDZBQOSA-N 0 3 330.453 3.644 20 30 EHEDHN CCCCCCCCCCCC[C@@H](C)N1CCN(CC(N)=O)CC1 ZINC001172566166 1131774749 /nfs/dbraw/zinc/77/47/49/1131774749.db2.gz UBVUMZUNHIWGGI-LJQANCHMSA-N 0 3 339.568 3.789 20 30 EHEDHN CCCC[C@H]1C[C@@H](NCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001172628247 1131794652 /nfs/dbraw/zinc/79/46/52/1131794652.db2.gz UIXDGOOUEZHFEI-HOTGVXAUSA-N 0 3 335.492 3.838 20 30 EHEDHN CC(C)OC(=O)CC[C@@H](C)N1CCC(Oc2ccccc2C#N)CC1 ZINC001172773082 1131843246 /nfs/dbraw/zinc/84/32/46/1131843246.db2.gz LLWRFARMXNZFFB-MRXNPFEDSA-N 0 3 344.455 3.522 20 30 EHEDHN COC(=O)C1(C#N)CCN(C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172824344 1131852223 /nfs/dbraw/zinc/85/22/23/1131852223.db2.gz VBYFLCJCUQODGG-UHFFFAOYSA-N 0 3 340.467 3.567 20 30 EHEDHN Cc1c(F)cccc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968601 1131920490 /nfs/dbraw/zinc/92/04/90/1131920490.db2.gz NHTGGRFZHIYOJF-CVEARBPZSA-N 0 3 347.434 3.515 20 30 EHEDHN Cc1cccc2c1CN([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172980834 1131925357 /nfs/dbraw/zinc/92/53/57/1131925357.db2.gz QAGAWGPHVNRSCF-SJORKVTESA-N 0 3 341.455 3.602 20 30 EHEDHN CC(C)N(C)Cc1cnc2n1CCN(C1CCC(CC#N)CC1)[C@H]2C ZINC001173334508 1132051987 /nfs/dbraw/zinc/05/19/87/1132051987.db2.gz YBETWUYGLIFQJA-AOCRQIFASA-N 0 3 343.519 3.572 20 30 EHEDHN CC(C)N(C)Cc1cnc2n1CCN(C1CCC(C)(C#N)CC1)[C@@H]2C ZINC001173595287 1132099154 /nfs/dbraw/zinc/09/91/54/1132099154.db2.gz WHWSESXSCHALCZ-ZRZPHAQCSA-N 0 3 343.519 3.572 20 30 EHEDHN C#C[C@@H](NCc1cccc2c(Br)cccc12)[C@@H]1CCCO1 ZINC001169498333 1132771454 /nfs/dbraw/zinc/77/14/54/1132771454.db2.gz ZWGRCEPZIUMKKP-MSOLQXFVSA-N 0 3 344.252 3.873 20 30 EHEDHN C#CCCCN(CC#C)[C@H]1CCOc2ccc(Br)cc21 ZINC000766900381 1132907011 /nfs/dbraw/zinc/90/70/11/1132907011.db2.gz CDJRHHYBURXYCM-INIZCTEOSA-N 0 3 332.241 3.621 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1nc2ccccc2nc1Cl ZINC001177904871 1133111288 /nfs/dbraw/zinc/11/12/88/1133111288.db2.gz TWWRHYAKMSPWPU-SNVBAGLBSA-N 0 3 342.811 3.666 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1cnc(-c2ccccc2)cn1 ZINC001177905353 1133111329 /nfs/dbraw/zinc/11/13/29/1133111329.db2.gz YMEMXPYIYZBBOF-CQSZACIVSA-N 0 3 334.404 3.526 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1c(C)cc(OC)cc1O ZINC001179966553 1133314880 /nfs/dbraw/zinc/31/48/80/1133314880.db2.gz OHOQCAUTKPNXOX-UHFFFAOYSA-N 0 3 327.424 3.906 20 30 EHEDHN CCCCN(CC)[C@H](C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 ZINC001182237916 1133604708 /nfs/dbraw/zinc/60/47/08/1133604708.db2.gz TWZFFLOIANREBO-MOPGFXCFSA-N 0 3 329.488 3.904 20 30 EHEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786532881 1133862264 /nfs/dbraw/zinc/86/22/64/1133862264.db2.gz CAVASSNDYXLMSF-DYVFJYSZSA-N 0 3 346.858 3.881 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCC2)c1 ZINC000786546433 1133872625 /nfs/dbraw/zinc/87/26/25/1133872625.db2.gz IQBGQOIKHLUQLG-MAUKXSAKSA-N 0 3 326.440 3.537 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)CC2CCCC2)c1 ZINC000786546435 1133872892 /nfs/dbraw/zinc/87/28/92/1133872892.db2.gz IQBGQOIKHLUQLG-QAPCUYQASA-N 0 3 326.440 3.537 20 30 EHEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786565248 1133875117 /nfs/dbraw/zinc/87/51/17/1133875117.db2.gz QESISKLHAIOUQS-IUODEOHRSA-N 0 3 348.393 3.506 20 30 EHEDHN N#CC(C(=O)CCCC1CCCC1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569074 1133875618 /nfs/dbraw/zinc/87/56/18/1133875618.db2.gz JLFKDFCAHWPBIG-HNNXBMFYSA-N 0 3 348.393 3.650 20 30 EHEDHN CCCCC[C@H](CC)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787065664 1133943835 /nfs/dbraw/zinc/94/38/35/1133943835.db2.gz ABDGBJKHUMSDQE-ROUUACIJSA-N 0 3 328.456 3.960 20 30 EHEDHN C[C@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)CC(C)(C)C ZINC000787073367 1133946331 /nfs/dbraw/zinc/94/63/31/1133946331.db2.gz ONFIDJDEBRVYCW-WBVHZDCISA-N 0 3 328.456 3.816 20 30 EHEDHN CC(C)(C#N)CCCN1CCN(Cc2cccc3cccnc32)CC1 ZINC000746656449 1133964683 /nfs/dbraw/zinc/96/46/83/1133964683.db2.gz YNYMADVFYLNBNA-UHFFFAOYSA-N 0 3 336.483 3.682 20 30 EHEDHN C#CCN(CCOCC(F)(F)C(F)F)[C@@H]1CCc2ccccc21 ZINC000787187521 1133971584 /nfs/dbraw/zinc/97/15/84/1133971584.db2.gz VIUQUXRHPHXYCG-OAHLLOKOSA-N 0 3 329.337 3.526 20 30 EHEDHN CCCCCCCCCCCCS(=O)(=O)NC[C@H]1CCN(C)C1 ZINC001187724495 1134375374 /nfs/dbraw/zinc/37/53/74/1134375374.db2.gz WVLLNTKUDBRPEB-GOSISDBHSA-N 0 3 346.581 3.778 20 30 EHEDHN CCCCC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000775320114 1134625305 /nfs/dbraw/zinc/62/53/05/1134625305.db2.gz MUQKTQKLWXYPPR-AZUAARDMSA-N 0 3 329.488 3.952 20 30 EHEDHN C#CC[C@@H](NC[C@H](O)COc1c(C)ccc(C)c1C)c1ccccc1 ZINC000775399621 1134720232 /nfs/dbraw/zinc/72/02/32/1134720232.db2.gz DVXSIYDGILGSEK-LEWJYISDSA-N 0 3 337.463 3.706 20 30 EHEDHN C#CC[C@@H](NC[C@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000775401378 1134730081 /nfs/dbraw/zinc/73/00/81/1134730081.db2.gz SVVDXMBNPGTTQA-JTHBVZDNSA-N 0 3 345.442 3.934 20 30 EHEDHN N#CC1(c2ccccc2)CCC(NC2(c3ccccc3)COC2)CC1 ZINC001170361973 1134756860 /nfs/dbraw/zinc/75/68/60/1134756860.db2.gz LFAMITMODFPNMG-UHFFFAOYSA-N 0 3 332.447 3.906 20 30 EHEDHN C=C(Br)CN[C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000792969603 1134833219 /nfs/dbraw/zinc/83/32/19/1134833219.db2.gz MLVGCCMRXVTIHD-RYUDHWBXSA-N 0 3 328.250 3.694 20 30 EHEDHN C[C@@H](Cn1ncc2ccccc21)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000793121552 1134850884 /nfs/dbraw/zinc/85/08/84/1134850884.db2.gz DGDYOVFYSGJFKH-DZGCQCFKSA-N 0 3 344.374 3.690 20 30 EHEDHN COc1cccc(/C=N/C[C@@H](c2cccs2)N2CCCC2)c1O ZINC000005293077 1134921397 /nfs/dbraw/zinc/92/13/97/1134921397.db2.gz FVZHCYHVASYMBV-UZUMKDMXSA-N 0 3 330.453 3.718 20 30 EHEDHN C#CCOc1cccc(Cl)c1CN1CCC2(CCOCC2)CC1 ZINC000793625682 1134974707 /nfs/dbraw/zinc/97/47/07/1134974707.db2.gz UFNRGUHIBXJGFC-UHFFFAOYSA-N 0 3 333.859 3.745 20 30 EHEDHN CCCCCCCOC(=O)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001193995367 1135219571 /nfs/dbraw/zinc/21/95/71/1135219571.db2.gz MNUMNYVPBZDSAY-ROUUACIJSA-N 0 3 345.487 3.552 20 30 EHEDHN N#CCCCCCC(=O)O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000805905483 1135347884 /nfs/dbraw/zinc/34/78/84/1135347884.db2.gz NUQJLOYCYGLAID-FQEVSTJZSA-N 0 3 340.467 3.767 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCCC[C@@H](C)C2)cc1 ZINC000775733120 1135591986 /nfs/dbraw/zinc/59/19/86/1135591986.db2.gz YQYBALHUPYABCH-MSOLQXFVSA-N 0 3 327.472 3.752 20 30 EHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCCCCC#N ZINC000808060622 1135610542 /nfs/dbraw/zinc/61/05/42/1135610542.db2.gz CFMBTSDITZHXCO-IEBWSBKVSA-N 0 3 325.456 3.603 20 30 EHEDHN C=CCC[C@H]1CCCN1CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC001198407134 1135811373 /nfs/dbraw/zinc/81/13/73/1135811373.db2.gz QOVOAAWNXZVHOB-RXVVDRJESA-N 0 3 342.483 3.693 20 30 EHEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000775873145 1135833740 /nfs/dbraw/zinc/83/37/40/1135833740.db2.gz ZPMBJLTXZLFMPP-AEFFLSMTSA-N 0 3 336.863 3.926 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(COC3CCOCC3)cc2)cc1 ZINC000809627963 1135862472 /nfs/dbraw/zinc/86/24/72/1135862472.db2.gz MOECOIRMOKUWOY-UHFFFAOYSA-N 0 3 335.447 3.653 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000809655422 1135865729 /nfs/dbraw/zinc/86/57/29/1135865729.db2.gz KDSDAKBPMQWZON-UZLBHIALSA-N 0 3 338.451 3.827 20 30 EHEDHN CC[C@H](C)NC(=O)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC001199310415 1135895208 /nfs/dbraw/zinc/89/52/08/1135895208.db2.gz VSIQXTYNECJBHI-INIZCTEOSA-N 0 3 335.451 3.685 20 30 EHEDHN Cc1ncc(C#N)cc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201475766 1136032508 /nfs/dbraw/zinc/03/25/08/1136032508.db2.gz VRNBNMMQPUIUIP-UXHICEINSA-N 0 3 330.435 3.994 20 30 EHEDHN C#C[C@@H](N[C@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000812793612 1136251294 /nfs/dbraw/zinc/25/12/94/1136251294.db2.gz ZPWWTYBWRBJZAW-RDTXWAMCSA-N 0 3 327.399 3.738 20 30 EHEDHN C#C[C@H](N[C@H](C)CCc1ccc(OC)c(O)c1)c1ccc(F)cc1 ZINC000812792882 1136251422 /nfs/dbraw/zinc/25/14/22/1136251422.db2.gz JUIAAYNYNMJXON-KDOFPFPSSA-N 0 3 327.399 3.825 20 30 EHEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)(C)C ZINC000812891810 1136265663 /nfs/dbraw/zinc/26/56/63/1136265663.db2.gz ROXAEVHEHCJSPA-CYBMUJFWSA-N 0 3 329.469 3.841 20 30 EHEDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(C#N)cc3F)C2)cc1 ZINC000850487511 1136268960 /nfs/dbraw/zinc/26/89/60/1136268960.db2.gz HMABNNIUDFBMCN-GOEBONIOSA-N 0 3 339.414 3.635 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)[C@H](C)COC)cc1 ZINC000813059509 1136283924 /nfs/dbraw/zinc/28/39/24/1136283924.db2.gz AXRMJFBRRMEWIG-IIDMSEBBSA-N 0 3 344.455 3.595 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000850758824 1136301493 /nfs/dbraw/zinc/30/14/93/1136301493.db2.gz DZJHWVMDVKCTLX-RLLQIKCJSA-N 0 3 346.430 3.993 20 30 EHEDHN CC1(C)OC[C@@H]2C[C@@]21C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000850771481 1136303200 /nfs/dbraw/zinc/30/32/00/1136303200.db2.gz PGEZYVPNXJOMJP-JHXNIKBNSA-N 0 3 346.839 3.941 20 30 EHEDHN CN(CCSc1cccc(Cl)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210734 1136440866 /nfs/dbraw/zinc/44/08/66/1136440866.db2.gz KQUMVPAZGMKKOG-GOSISDBHSA-N 0 3 346.883 3.969 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000852685989 1136478037 /nfs/dbraw/zinc/47/80/37/1136478037.db2.gz NUVKPFKFGZDHBX-RLLQIKCJSA-N 0 3 337.467 3.813 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000855172610 1136674161 /nfs/dbraw/zinc/67/41/61/1136674161.db2.gz NFDSFYXFEOVIQL-UBDQQSCGSA-N 0 3 327.424 3.542 20 30 EHEDHN C=C1CCC(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC001135450690 1136686953 /nfs/dbraw/zinc/68/69/53/1136686953.db2.gz JCAYBAGJFTUXIC-HXUWFJFHSA-N 0 3 342.483 3.695 20 30 EHEDHN CC[C@H](C)Oc1cc(C)ccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000819150276 1136913994 /nfs/dbraw/zinc/91/39/94/1136913994.db2.gz OLNOBKCEEZKIDS-JXFKEZNVSA-N 0 3 338.451 3.867 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416334 1137014229 /nfs/dbraw/zinc/01/42/29/1137014229.db2.gz FVDBRFCFFCJUGP-PXNSSMCTSA-N 0 3 342.389 3.749 20 30 EHEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416333 1137014317 /nfs/dbraw/zinc/01/43/17/1137014317.db2.gz FVDBRFCFFCJUGP-FXAWDEMLSA-N 0 3 342.389 3.749 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccco1)c1ccccc1 ZINC000860693322 1137073238 /nfs/dbraw/zinc/07/32/38/1137073238.db2.gz FYYLYNQZVQCHEI-PVAVHDDUSA-N 0 3 338.407 3.750 20 30 EHEDHN C[C@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000860902695 1137084016 /nfs/dbraw/zinc/08/40/16/1137084016.db2.gz JOPMNIUYGDSHKB-OXJNMPFZSA-N 0 3 349.478 3.643 20 30 EHEDHN C#CC[C@H]1CCN(Cc2nc3ccc(Br)cc3s2)C1 ZINC000862445133 1137145368 /nfs/dbraw/zinc/14/53/68/1137145368.db2.gz MKPWPPZCFPZIEB-NSHDSACASA-N 0 3 335.270 3.904 20 30 EHEDHN C#Cc1cccc(CNCc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000825226155 1137169373 /nfs/dbraw/zinc/16/93/73/1137169373.db2.gz DTVMODWPUNCPJS-UHFFFAOYSA-N 0 3 334.419 3.649 20 30 EHEDHN C#Cc1cccc(CNCc2ccc(OC(F)F)c(OCC)c2)c1 ZINC000825227460 1137171262 /nfs/dbraw/zinc/17/12/62/1137171262.db2.gz UFKBDIAPZIXOFU-UHFFFAOYSA-N 0 3 331.362 3.958 20 30 EHEDHN COc1ccc(CN(C)Cc2ccc(N(C)CCC#N)cc2)cc1F ZINC000119619162 1137202349 /nfs/dbraw/zinc/20/23/49/1137202349.db2.gz CIXWNQJEPCMKBO-UHFFFAOYSA-N 0 3 341.430 3.816 20 30 EHEDHN Cn1cc(CN2CCC[C@@]3(CC3(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000844438565 1137223226 /nfs/dbraw/zinc/22/32/26/1137223226.db2.gz FAFSNIQPNHEHLD-GOSISDBHSA-N 0 3 342.393 3.580 20 30 EHEDHN CC(C)(C#N)c1ccc(CNCc2cc3c([nH]c2=O)CCCC3)cc1 ZINC000865878140 1137318426 /nfs/dbraw/zinc/31/84/26/1137318426.db2.gz AKLOTEUDLOLLRO-UHFFFAOYSA-N 0 3 335.451 3.757 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC001171221903 1137348327 /nfs/dbraw/zinc/34/83/27/1137348327.db2.gz WXDRDVPZVPFGPS-MOPGFXCFSA-N 0 3 333.479 3.696 20 30 EHEDHN Cc1cc(C#N)ccc1NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846752862 1137364710 /nfs/dbraw/zinc/36/47/10/1137364710.db2.gz WEZPOGCGWWCSGX-UHFFFAOYSA-N 0 3 330.435 3.815 20 30 EHEDHN Cc1nn(-c2ccccc2)c(N)c1C=NN[C@H]1CCCCC1(C)C ZINC000794936780 1137368084 /nfs/dbraw/zinc/36/80/84/1137368084.db2.gz SIBIBXDSWQEXIO-KRWDZBQOSA-N 0 3 325.460 3.655 20 30 EHEDHN N#Cc1ccc(C2(NC[C@@H](O)c3c(F)cccc3F)CCC2)cc1 ZINC000847053651 1137384332 /nfs/dbraw/zinc/38/43/32/1137384332.db2.gz OBNCUZPMHOTCGH-QGZVFWFLSA-N 0 3 328.362 3.539 20 30 EHEDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000870140540 1137478522 /nfs/dbraw/zinc/47/85/22/1137478522.db2.gz ZOHRJVYDWZCFCA-CAXGVCPASA-N 0 3 332.403 3.779 20 30 EHEDHN CCCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2OC)s1 ZINC000870141763 1137478649 /nfs/dbraw/zinc/47/86/49/1137478649.db2.gz CJCKLKMODPBASN-ZDUSSCGKSA-N 0 3 342.420 3.670 20 30 EHEDHN N#Cc1ccccc1O[C@@H]1CCCN([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171806672 1137513934 /nfs/dbraw/zinc/51/39/34/1137513934.db2.gz IVDFVAHKBGCHBR-QZTJIDSGSA-N 0 3 336.410 3.708 20 30 EHEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001171847775 1137515583 /nfs/dbraw/zinc/51/55/83/1137515583.db2.gz SAVHEKNUJBXVFM-LSDHHAIUSA-N 0 3 336.426 3.772 20 30 EHEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=N)c1ccc(F)cn1 ZINC001171959837 1137519345 /nfs/dbraw/zinc/51/93/45/1137519345.db2.gz IEVJTZPKEMJOQN-SNVBAGLBSA-N 0 3 325.309 3.576 20 30 EHEDHN Cc1ccc(N2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC001172318951 1137546778 /nfs/dbraw/zinc/54/67/78/1137546778.db2.gz JVAISOGYMKUNQQ-LJQANCHMSA-N 0 3 333.479 3.928 20 30 EHEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccccc1-c1ccccc1C#N ZINC000874849423 1137624688 /nfs/dbraw/zinc/62/46/88/1137624688.db2.gz XYXIJCCVQAMNDP-NHCUHLMSSA-N 0 3 345.446 3.534 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000876549004 1137655167 /nfs/dbraw/zinc/65/51/67/1137655167.db2.gz XUFOISQLAKFOFE-LJQANCHMSA-N 0 3 342.870 3.795 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000876548282 1137655197 /nfs/dbraw/zinc/65/51/97/1137655197.db2.gz AQSJUJXKTRQBTB-JTQLQIEISA-N 0 3 327.133 3.767 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000876564111 1137655787 /nfs/dbraw/zinc/65/57/87/1137655787.db2.gz PQCVQHBYHQBKIB-GFCCVEGCSA-N 0 3 328.890 3.574 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000876576131 1137655998 /nfs/dbraw/zinc/65/59/98/1137655998.db2.gz BFSCRJIPGNJTBL-RTBURBONSA-N 0 3 340.854 3.631 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000876662979 1137658480 /nfs/dbraw/zinc/65/84/80/1137658480.db2.gz UUYGOZTYIBSDRM-VXGBXAGGSA-N 0 3 333.646 3.567 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000876705277 1137659441 /nfs/dbraw/zinc/65/94/41/1137659441.db2.gz XOEKKJKJDWHQNV-XPTSAGLGSA-N 0 3 347.673 3.909 20 30 EHEDHN CCN(CC)[C@H](CNCc1cc(C#N)cnc1Cl)c1ccsc1 ZINC000876931631 1137665609 /nfs/dbraw/zinc/66/56/09/1137665609.db2.gz ZXUCJMRAGPZVFG-MRXNPFEDSA-N 0 3 348.903 3.841 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000876989529 1137667233 /nfs/dbraw/zinc/66/72/33/1137667233.db2.gz WZBUUKNKUSAKBT-OAHLLOKOSA-N 0 3 345.245 3.688 20 30 EHEDHN CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@H](N)CCCCC#N)C1 ZINC000877064610 1137669143 /nfs/dbraw/zinc/66/91/43/1137669143.db2.gz BYXCYOMDBXCEQJ-DLBZAZTESA-N 0 3 327.472 3.649 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000825938286 1137672004 /nfs/dbraw/zinc/67/20/04/1137672004.db2.gz IYRWRMZAZQCQPC-OAHLLOKOSA-N 0 3 349.887 3.710 20 30 EHEDHN CN(C)c1ccc(C#N)cc1CN1CCC(Cc2nccs2)CC1 ZINC000877674596 1137685447 /nfs/dbraw/zinc/68/54/47/1137685447.db2.gz SLQULNJPRWEIJP-UHFFFAOYSA-N 0 3 340.496 3.535 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651034 1137753805 /nfs/dbraw/zinc/75/38/05/1137753805.db2.gz FFYNQEBDHYHIKJ-GJZGRUSLSA-N 0 3 344.480 3.708 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880540409 1137780979 /nfs/dbraw/zinc/78/09/79/1137780979.db2.gz ZKFZPKKCKURQLQ-YOEHRIQHSA-N 0 3 337.448 3.883 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC2CCCCC2)cc1 ZINC000114618300 1137788371 /nfs/dbraw/zinc/78/83/71/1137788371.db2.gz LBNFPYQNJLZESG-KDOFPFPSSA-N 0 3 342.439 3.949 20 30 EHEDHN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000128755109 1137796983 /nfs/dbraw/zinc/79/69/83/1137796983.db2.gz ZPXJXHCXVVWTGL-LBPRGKRZSA-N 0 3 348.761 3.904 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCSC)cc1 ZINC000131039019 1137845377 /nfs/dbraw/zinc/84/53/77/1137845377.db2.gz KGCDITUTMYZMQA-CJNGLKHVSA-N 0 3 332.469 3.991 20 30 EHEDHN CC1(c2cccc(CNCc3ccc(C4(C#N)CC4)cc3)c2)OCCO1 ZINC000883128525 1137845561 /nfs/dbraw/zinc/84/55/61/1137845561.db2.gz KZMXKFARUJNEBP-UHFFFAOYSA-N 0 3 348.446 3.751 20 30 EHEDHN C=CCC[C@H](NCc1ccncc1OCC(F)(F)F)[C@H]1CCCO1 ZINC000883220615 1137849185 /nfs/dbraw/zinc/84/91/85/1137849185.db2.gz MSXOQIZNZSVKNP-LSDHHAIUSA-N 0 3 344.377 3.626 20 30 EHEDHN C=CCC[C@H](NCc1nn(C)cc1C(F)F)[C@@H]1Cc2ccccc2O1 ZINC000883242875 1137850083 /nfs/dbraw/zinc/85/00/83/1137850083.db2.gz USIGEPGEIAOVRO-YJBOKZPZSA-N 0 3 347.409 3.786 20 30 EHEDHN C=CCNC(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001202565863 1137876655 /nfs/dbraw/zinc/87/66/55/1137876655.db2.gz FIBJLZFDFNFHRJ-OAQYLSRUSA-N 0 3 349.478 3.659 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cccc(F)c2)C2CC2)CC1 ZINC000106341005 1137883322 /nfs/dbraw/zinc/88/33/22/1137883322.db2.gz RPZFFOMIPKRFGT-UHFFFAOYSA-N 0 3 345.462 3.540 20 30 EHEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000113313973 1137912524 /nfs/dbraw/zinc/91/25/24/1137912524.db2.gz MYMVYDDBRWMJCF-INIZCTEOSA-N 0 3 337.419 3.711 20 30 EHEDHN C=CCN1CC[C@@H](N(C)CCCSc2ccccc2Cl)C1=O ZINC000337235357 1138503097 /nfs/dbraw/zinc/50/30/97/1138503097.db2.gz XNIFXGMCZNPIMM-OAHLLOKOSA-N 0 3 338.904 3.541 20 30 EHEDHN C=C1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000264464874 1138525266 /nfs/dbraw/zinc/52/52/66/1138525266.db2.gz HQKZSQHMOGUUBJ-UHFFFAOYSA-N 0 3 341.224 3.569 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000264937078 1138680254 /nfs/dbraw/zinc/68/02/54/1138680254.db2.gz DKTGNGFWPRYEEV-INIZCTEOSA-N 0 3 348.446 3.898 20 30 EHEDHN CC(C)(C)OC(=O)N(CCNCc1cccc(C#N)c1)C(C)(C)C ZINC000302101799 1138713092 /nfs/dbraw/zinc/71/30/92/1138713092.db2.gz SIUWVGFNTHRFCV-UHFFFAOYSA-N 0 3 331.460 3.683 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC)c(OC)c2)cc1 ZINC000151580112 1139045073 /nfs/dbraw/zinc/04/50/73/1139045073.db2.gz DEHPKENRAHIEBO-HNNXBMFYSA-N 0 3 325.408 3.567 20 30 EHEDHN CC[C@H](C)N(CCCC(C)(C)C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000174866505 1139447231 /nfs/dbraw/zinc/44/72/31/1139447231.db2.gz MLHRNUWTJKOKTP-HNNXBMFYSA-N 0 3 340.471 3.854 20 30 EHEDHN CN(C)Cc1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000178639417 1139709265 /nfs/dbraw/zinc/70/92/65/1139709265.db2.gz DFITUFZZPQLLCT-LJQANCHMSA-N 0 3 336.439 3.915 20 30 EHEDHN COCc1cc([C@H](C)NCc2ccc(OCC#N)cc2)ccc1OC ZINC000180556291 1139845243 /nfs/dbraw/zinc/84/52/43/1139845243.db2.gz BKWNPISQYDTESP-HNNXBMFYSA-N 0 3 340.423 3.595 20 30 EHEDHN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2C)c(C#N)c1C ZINC000181561029 1139915864 /nfs/dbraw/zinc/91/58/64/1139915864.db2.gz CCALVHRDXGGKJD-ZIAGYGMSSA-N 0 3 325.412 3.754 20 30 EHEDHN CCOc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000181715699 1139926325 /nfs/dbraw/zinc/92/63/25/1139926325.db2.gz URXFEVCGNPRSRU-AWEZNQCLSA-N 0 3 328.387 3.978 20 30 EHEDHN O[C@@H](CN[C@H](CC(F)(F)F)c1ccc(F)cc1)CC(F)(F)F ZINC000189834787 1140367512 /nfs/dbraw/zinc/36/75/12/1140367512.db2.gz WZNZQJLZNIDCMP-GHMZBOCLSA-N 0 3 333.247 3.722 20 30 EHEDHN N#C[C@H]1CCC[C@@H](N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000192849196 1140553347 /nfs/dbraw/zinc/55/33/47/1140553347.db2.gz TZZACONMBXJDLK-TYPHKJRUSA-N 0 3 347.462 3.908 20 30 EHEDHN COc1cc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc(OC)c1OC ZINC000268999923 1141042477 /nfs/dbraw/zinc/04/24/77/1141042477.db2.gz UOFIEVGUVUYSER-ZIAGYGMSSA-N 0 3 340.423 3.996 20 30 EHEDHN C=CC[C@@H](C)[C@H](C)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000269063036 1141058332 /nfs/dbraw/zinc/05/83/32/1141058332.db2.gz KQLSVFDMFGIWHF-CABCVRRESA-N 0 3 343.496 3.763 20 30 EHEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(CC#N)cc1 ZINC000270351816 1141210629 /nfs/dbraw/zinc/21/06/29/1141210629.db2.gz CMGIKDZYCYEDAK-PZJWPPBQSA-N 0 3 345.446 3.509 20 30 EHEDHN COc1cc(OC)cc(C(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080456267 1032067739 /nfs/dbraw/zinc/06/77/39/1032067739.db2.gz PFXUNZPDFQDNJH-CQSZACIVSA-N 0 3 330.409 3.774 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000274699591 1014574295 /nfs/dbraw/zinc/57/42/95/1014574295.db2.gz NKRGVINMGMGLGJ-KXBFYZLASA-N 0 3 336.439 3.680 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN1Cc2ccccc2C[C@@H]1C ZINC000607755137 1014912162 /nfs/dbraw/zinc/91/21/62/1014912162.db2.gz IEGQSFZPGVPOFM-UWJYYQICSA-N 0 3 337.463 3.602 20 30 EHEDHN C=C(C)[C@@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000275089397 1015966142 /nfs/dbraw/zinc/96/61/42/1015966142.db2.gz ULAZACOXUCYKGD-FZKQIMNGSA-N 0 3 349.425 3.532 20 30 EHEDHN N#Cc1cc(NC[C@H](c2ccco2)N2CCCCC2)c2ccccc2n1 ZINC000610246563 1016177657 /nfs/dbraw/zinc/17/76/57/1016177657.db2.gz LHCNMGRVAJSMDU-HXUWFJFHSA-N 0 3 346.434 3.760 20 30 EHEDHN Cc1cc(CN2CCC(C#N)(c3ccccn3)CC2)c2ccccc2n1 ZINC000376738317 1017027285 /nfs/dbraw/zinc/02/72/85/1017027285.db2.gz SUKYIVGLMNTNBC-UHFFFAOYSA-N 0 3 342.446 3.996 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000538153705 1032177481 /nfs/dbraw/zinc/17/74/81/1032177481.db2.gz WIPNBAQYKBXDBE-WOJBJXKFSA-N 0 3 329.488 3.808 20 30 EHEDHN C=CCCCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000449116750 1032211238 /nfs/dbraw/zinc/21/12/38/1032211238.db2.gz RBUCYGZLBRUNCA-INIZCTEOSA-N 0 3 330.472 3.721 20 30 EHEDHN Oc1ccc2ccccc2c1/C=N/[C@@H]1CCCN2CCSC[C@H]12 ZINC000905002260 1032315368 /nfs/dbraw/zinc/31/53/68/1032315368.db2.gz GDJWGUMTGXVKNG-LNSJNNGNSA-N 0 3 326.465 3.544 20 30 EHEDHN CS(=O)(=O)c1cccc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000449338433 1032474735 /nfs/dbraw/zinc/47/47/35/1032474735.db2.gz GNMIFYUBBDBJNV-IBGZPJMESA-N 0 3 342.464 3.615 20 30 EHEDHN N#Cc1csc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449506931 1032689618 /nfs/dbraw/zinc/68/96/18/1032689618.db2.gz ZOWIWUYDJZYXSN-OAHLLOKOSA-N 0 3 327.409 3.908 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000275592892 1017409239 /nfs/dbraw/zinc/40/92/39/1017409239.db2.gz KCGBWQUAIHGEKR-RVKKMQEKSA-N 0 3 343.471 3.854 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](C)c2cccc(CC(C)C)c2)CC1 ZINC000510302892 1017970495 /nfs/dbraw/zinc/97/04/95/1017970495.db2.gz HEPWYOHHGKCGIA-QGZVFWFLSA-N 0 3 328.500 3.755 20 30 EHEDHN Cc1ncc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)[nH]1 ZINC000328679921 1018193167 /nfs/dbraw/zinc/19/31/67/1018193167.db2.gz UHUZJACJPYSKNV-HNNXBMFYSA-N 0 3 332.473 3.557 20 30 EHEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(O)cc1 ZINC000377715762 1018256214 /nfs/dbraw/zinc/25/62/14/1018256214.db2.gz FOFJANUVSPXSDZ-UHFFFAOYSA-N 0 3 346.434 3.801 20 30 EHEDHN C[C@H](NCc1ccc(OCc2nccn2C)cc1)c1cccc(C#N)c1 ZINC000610344785 1018349766 /nfs/dbraw/zinc/34/97/66/1018349766.db2.gz IFYOFTSKQLKPGQ-INIZCTEOSA-N 0 3 346.434 3.722 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000177762563 1018471315 /nfs/dbraw/zinc/47/13/15/1018471315.db2.gz BPUSBSWHJQIKNT-ZDUSSCGKSA-N 0 3 342.420 3.918 20 30 EHEDHN Cc1coc(C(=O)OCC2(C#N)CCN(Cc3ccccc3)CC2)c1 ZINC000893114537 1018538109 /nfs/dbraw/zinc/53/81/09/1018538109.db2.gz CPVUTQCCIMMSDB-UHFFFAOYSA-N 0 3 338.407 3.551 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449548070 1032770816 /nfs/dbraw/zinc/77/08/16/1032770816.db2.gz LGLHGYXZDJWXRR-SJORKVTESA-N 0 3 328.368 3.678 20 30 EHEDHN C=CCOc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000471538611 1018631795 /nfs/dbraw/zinc/63/17/95/1018631795.db2.gz JDNBYVSITQNCRQ-OXQOHEQNSA-N 0 3 338.451 3.673 20 30 EHEDHN Cc1cc(C)n2c(CN3CCC(c4ccc(C#N)cc4)CC3)cnc2n1 ZINC000897588797 1032859812 /nfs/dbraw/zinc/85/98/12/1032859812.db2.gz NPBWUMZNADSISJ-UHFFFAOYSA-N 0 3 345.450 3.597 20 30 EHEDHN C[C@@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000276250797 1020961373 /nfs/dbraw/zinc/96/13/73/1020961373.db2.gz WEJGMUAYMGYDES-DNVCBOLYSA-N 0 3 325.456 3.533 20 30 EHEDHN CC[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[C@@H]1c1ccccc1 ZINC000592504941 1032953603 /nfs/dbraw/zinc/95/36/03/1032953603.db2.gz NALGIXKDLKXHCO-PXNSSMCTSA-N 0 3 345.450 3.617 20 30 EHEDHN C=CCC[C@H](NCc1ccccc1CN1CCOCC1)c1ccco1 ZINC000276487284 1021477749 /nfs/dbraw/zinc/47/77/49/1021477749.db2.gz TUNYHKCHSPRVPU-FQEVSTJZSA-N 0 3 340.467 3.909 20 30 EHEDHN C=CCN1CCC(NC(=O)NC2(c3ccccc3)CCCCC2)CC1 ZINC000506681161 1021728005 /nfs/dbraw/zinc/72/80/05/1021728005.db2.gz UUWCHCOBTKSETP-UHFFFAOYSA-N 0 3 341.499 3.796 20 30 EHEDHN CCN(Cc1cc(C#N)ccc1OC)[C@H](COC)Cc1ccccc1 ZINC000437577838 1021963737 /nfs/dbraw/zinc/96/37/37/1021963737.db2.gz NHEPVXIRDBVCOG-FQEVSTJZSA-N 0 3 338.451 3.646 20 30 EHEDHN C[C@@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(C#N)cc1 ZINC000520216468 1022033227 /nfs/dbraw/zinc/03/32/27/1022033227.db2.gz KDYWESSCXVZOJJ-IIBYNOLFSA-N 0 3 336.435 3.967 20 30 EHEDHN CN1Cc2c(NC(=O)C(C)(C)C#N)cccc2[C@H](c2ccccc2)C1 ZINC001143401404 1022082696 /nfs/dbraw/zinc/08/26/96/1022082696.db2.gz MRDOQFRHCWRTHE-KRWDZBQOSA-N 0 3 333.435 3.752 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000574306628 1033036222 /nfs/dbraw/zinc/03/62/22/1033036222.db2.gz BOWXYTNTOUMWIP-LRDDRELGSA-N 0 3 345.830 3.664 20 30 EHEDHN C=CC1CCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000458879041 1022387920 /nfs/dbraw/zinc/38/79/20/1022387920.db2.gz CDMNMBFGCHNCHT-SFHVURJKSA-N 0 3 347.528 3.619 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1(c2ccccc2)CC1 ZINC000528911361 1033056393 /nfs/dbraw/zinc/05/63/93/1033056393.db2.gz YDUGIGFDXKWPGE-INIZCTEOSA-N 0 3 329.403 3.871 20 30 EHEDHN CC(C)[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000330372233 1022569656 /nfs/dbraw/zinc/56/96/56/1022569656.db2.gz BFTGUQNMQMVAFS-CRAIPNDOSA-N 0 3 345.462 3.844 20 30 EHEDHN CC(C)(C)C[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000550153526 1022591531 /nfs/dbraw/zinc/59/15/31/1022591531.db2.gz PYWREICUQBBHTF-GOSISDBHSA-N 0 3 333.439 3.868 20 30 EHEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000330850270 1022697239 /nfs/dbraw/zinc/69/72/39/1022697239.db2.gz DVOJWXSLUYGFBZ-FOIQADDNSA-N 0 3 332.488 3.630 20 30 EHEDHN N#Cc1ccccc1-c1ccc(CN2CCSC[C@H]2CCO)cc1 ZINC000438651453 1022902549 /nfs/dbraw/zinc/90/25/49/1022902549.db2.gz NCXAVPWZTLMDNA-LJQANCHMSA-N 0 3 338.476 3.525 20 30 EHEDHN C[C@@H](NCCOCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000293894306 1022933666 /nfs/dbraw/zinc/93/36/66/1022933666.db2.gz VKTLMIOJEXWKIJ-MRXNPFEDSA-N 0 3 337.423 3.520 20 30 EHEDHN C=C(C)COc1cccc(NC(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC000665955810 1033093274 /nfs/dbraw/zinc/09/32/74/1033093274.db2.gz CGUSKAZIZGRGAG-INIZCTEOSA-N 0 3 331.460 3.636 20 30 EHEDHN C[C@@]1(NCC(=O)N(CCC#N)c2ccccc2)CCCc2ccccc21 ZINC000341685778 1023005196 /nfs/dbraw/zinc/00/51/96/1023005196.db2.gz AUWMPIGWAYMURO-JOCHJYFZSA-N 0 3 347.462 3.775 20 30 EHEDHN COCCOc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341761044 1023277604 /nfs/dbraw/zinc/27/76/04/1023277604.db2.gz NYLTVCFVKUTAFO-OAQYLSRUSA-N 0 3 336.435 3.751 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CC(C)(C)OC3(C)C)nc21 ZINC000528953807 1033147530 /nfs/dbraw/zinc/14/75/30/1033147530.db2.gz NZVVFCXMBJKPCQ-STQMWFEESA-N 0 3 325.412 3.641 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CC(C)(C)OC3(C)C)[nH]c21 ZINC000528953807 1033147535 /nfs/dbraw/zinc/14/75/35/1033147535.db2.gz NZVVFCXMBJKPCQ-STQMWFEESA-N 0 3 325.412 3.641 20 30 EHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000329808278 1024202464 /nfs/dbraw/zinc/20/24/64/1024202464.db2.gz PEGHQSYMDVPQCJ-KZNAEPCWSA-N 0 3 344.503 3.965 20 30 EHEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000329857272 1024224923 /nfs/dbraw/zinc/22/49/23/1024224923.db2.gz YYZPDWQLQNIWST-BZNIZROVSA-N 0 3 345.830 3.782 20 30 EHEDHN CCc1nc(C)c(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)s1 ZINC000329899831 1024241453 /nfs/dbraw/zinc/24/14/53/1024241453.db2.gz FUNYGQIIPPLOMD-GDBMZVCRSA-N 0 3 344.484 3.785 20 30 EHEDHN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000434892455 1024477774 /nfs/dbraw/zinc/47/77/74/1024477774.db2.gz RPKIDGQUMODHTC-KXBFYZLASA-N 0 3 344.418 3.986 20 30 EHEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000434892452 1024477902 /nfs/dbraw/zinc/47/79/02/1024477902.db2.gz RPKIDGQUMODHTC-BEFAXECRSA-N 0 3 344.418 3.986 20 30 EHEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000434905938 1024496542 /nfs/dbraw/zinc/49/65/42/1024496542.db2.gz SIIZMSXAWWWDHJ-MJGOQNOKSA-N 0 3 339.483 3.549 20 30 EHEDHN C=CCN1CCC(NC(=O)NCc2c(C)c(C)c(C)c(C)c2C)CC1 ZINC000435094170 1024617694 /nfs/dbraw/zinc/61/76/94/1024617694.db2.gz KJWACRAUOQXNDV-UHFFFAOYSA-N 0 3 343.515 3.678 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc4cccnc4n3)C2)cc1F ZINC000602889476 1033236259 /nfs/dbraw/zinc/23/62/59/1033236259.db2.gz WHELXKIHASZPDF-QGZVFWFLSA-N 0 3 332.382 3.630 20 30 EHEDHN CC(C)N(CCC(=O)Nc1ccccc1C#N)Cc1ccccc1F ZINC000346611194 1024953039 /nfs/dbraw/zinc/95/30/39/1024953039.db2.gz QWQNXYQADYIQIS-UHFFFAOYSA-N 0 3 339.414 3.937 20 30 EHEDHN N#Cc1ccc(C2CCN(CCc3cccc(F)c3F)CC2)nc1 ZINC000602905807 1033253857 /nfs/dbraw/zinc/25/38/57/1033253857.db2.gz DISMHFAZLVTCID-UHFFFAOYSA-N 0 3 327.378 3.654 20 30 EHEDHN C=CCOC(=O)[C@@H](Nc1ccc([C@@H]2CCCCN2C)cn1)[C@@H](C)CC ZINC001167959471 1025011520 /nfs/dbraw/zinc/01/15/20/1025011520.db2.gz GZOBZRJPYILMQL-IEZWGBDMSA-N 0 3 345.487 3.794 20 30 EHEDHN COc1cc(CNCc2ccc(Br)cc2)ccc1C#N ZINC000234926026 1025144546 /nfs/dbraw/zinc/14/45/46/1025144546.db2.gz PLBAQGSOUMIKHI-UHFFFAOYSA-N 0 3 331.213 3.619 20 30 EHEDHN N#C[C@@H]1CC[C@@H](NCc2cc(Br)ccc2OC(F)F)C1 ZINC000472156197 1025201827 /nfs/dbraw/zinc/20/18/27/1025201827.db2.gz LLTARVAXTXXEEK-BXKDBHETSA-N 0 3 345.187 3.832 20 30 EHEDHN CN1CC[C@H](NCc2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000551352346 1025278584 /nfs/dbraw/zinc/27/85/84/1025278584.db2.gz XPQVFRVMSHOXAK-OALUTQOASA-N 0 3 325.843 3.747 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000521586282 1025481727 /nfs/dbraw/zinc/48/17/27/1025481727.db2.gz PUVGUGPZLDTZKP-FQEVSTJZSA-N 0 3 341.499 3.746 20 30 EHEDHN Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)n1 ZINC000329131944 1025620381 /nfs/dbraw/zinc/62/03/81/1025620381.db2.gz OZQMBKSUQVHEDO-ZHALLVOQSA-N 0 3 340.471 3.853 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)COc1ccccc1Cl ZINC000425532424 1025658726 /nfs/dbraw/zinc/65/87/26/1025658726.db2.gz BPRLNYLBALVTAN-PBHICJAKSA-N 0 3 344.842 3.644 20 30 EHEDHN Cc1nnc([C@H]2CCCN([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)[nH]1 ZINC000329505774 1025935742 /nfs/dbraw/zinc/93/57/42/1025935742.db2.gz ZKVDIKFBGCOQFA-HOCLYGCPSA-N 0 3 341.459 3.586 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCOC23CCCC3)c(Br)c1 ZINC000934386504 1025939986 /nfs/dbraw/zinc/93/99/86/1025939986.db2.gz LGKSPDQANVTQAB-OAHLLOKOSA-N 0 3 335.245 3.512 20 30 EHEDHN C[C@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000475336741 1026490893 /nfs/dbraw/zinc/49/08/93/1026490893.db2.gz YUSJPMIVWGJWFR-MRXNPFEDSA-N 0 3 329.488 3.521 20 30 EHEDHN C=CCCn1cc(CN[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)nn1 ZINC000657490994 1026738998 /nfs/dbraw/zinc/73/89/98/1026738998.db2.gz QBBVHSYRNDRGEY-WBVHZDCISA-N 0 3 330.863 3.934 20 30 EHEDHN C=C(C)[C@@H](NC[C@H](O)COCc1ccccc1)c1ccc(F)c(F)c1 ZINC000187766993 1027542141 /nfs/dbraw/zinc/54/21/41/1027542141.db2.gz PSOKOUQTDPFUOU-FXAWDEMLSA-N 0 3 347.405 3.749 20 30 EHEDHN CC(C)N(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC1CC1 ZINC000532664155 1027579627 /nfs/dbraw/zinc/57/96/27/1027579627.db2.gz UXWHVOXHZUASEK-HNNXBMFYSA-N 0 3 345.512 3.997 20 30 EHEDHN C=CC[C@H]1N(CC(=O)N[C@@H]2CCOc3ccccc32)CCCC1(C)C ZINC000444788834 1028289323 /nfs/dbraw/zinc/28/93/23/1028289323.db2.gz YCZZEJVCKRVZDM-IEBWSBKVSA-N 0 3 342.483 3.693 20 30 EHEDHN CCCC(C)(C)N(CC(=O)NC1(C#N)CCC1)Cc1cccs1 ZINC000582977049 1028422140 /nfs/dbraw/zinc/42/21/40/1028422140.db2.gz FMEAACDMKMNGIU-UHFFFAOYSA-N 0 3 333.501 3.691 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)CC1 ZINC000445089314 1028531153 /nfs/dbraw/zinc/53/11/53/1028531153.db2.gz HHQGWAKQXOPEQH-GOSISDBHSA-N 0 3 341.499 3.996 20 30 EHEDHN C=C(C)[C@@H](CC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)OCC ZINC000533714719 1028576813 /nfs/dbraw/zinc/57/68/13/1028576813.db2.gz PADMTXMBLVLOEJ-VQTJNVASSA-N 0 3 344.499 3.619 20 30 EHEDHN N#CCCCOc1cccc(CNCc2ccccc2-n2ccnc2)c1 ZINC000237823589 1028667290 /nfs/dbraw/zinc/66/72/90/1028667290.db2.gz QVMXJLFQZRRVAU-UHFFFAOYSA-N 0 3 346.434 3.845 20 30 EHEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)c(OCc2ccccc2)c1 ZINC000424082281 1028780604 /nfs/dbraw/zinc/78/06/04/1028780604.db2.gz BJLWCSHHDVCBPZ-QGZVFWFLSA-N 0 3 337.423 3.534 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000424109431 1028804815 /nfs/dbraw/zinc/80/48/15/1028804815.db2.gz AKNMWSFZFWTIIS-HXUWFJFHSA-N 0 3 335.451 3.822 20 30 EHEDHN CC(C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424116313 1028811337 /nfs/dbraw/zinc/81/13/37/1028811337.db2.gz XIOZPDVTNYRPJF-GJZGRUSLSA-N 0 3 341.377 3.540 20 30 EHEDHN Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424121437 1028816142 /nfs/dbraw/zinc/81/61/42/1028816142.db2.gz ICZKCGZBLCNHIH-GOSISDBHSA-N 0 3 337.423 3.534 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000454456364 1028923074 /nfs/dbraw/zinc/92/30/74/1028923074.db2.gz DEVXBZJMWGWZKW-SFHVURJKSA-N 0 3 343.471 3.557 20 30 EHEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2c2ccc(OC(C)C)cc2)nn1 ZINC000424290052 1028934718 /nfs/dbraw/zinc/93/47/18/1028934718.db2.gz AUYPBPKSGVCMOB-UXHICEINSA-N 0 3 340.471 3.677 20 30 EHEDHN C=CCCCN(C)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000076734445 1029039773 /nfs/dbraw/zinc/03/97/73/1029039773.db2.gz YEAMHBYZJGTZOG-AWEZNQCLSA-N 0 3 331.485 3.541 20 30 EHEDHN C=CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000615001398 1029226580 /nfs/dbraw/zinc/22/65/80/1029226580.db2.gz DYDONCZBRBONCL-LJQANCHMSA-N 0 3 335.451 3.513 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=CCC(C)(C)CC1 ZINC000454797705 1029333641 /nfs/dbraw/zinc/33/36/41/1029333641.db2.gz GCAPGKKSDJQAEN-UHFFFAOYSA-N 0 3 339.483 3.585 20 30 EHEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000533309760 1029592325 /nfs/dbraw/zinc/59/23/25/1029592325.db2.gz QZPGTMYHKHOJCU-GOSISDBHSA-N 0 3 331.822 3.743 20 30 EHEDHN CC[C@H](NCc1ccccc1CN1CCCC1=O)c1ccc(C#N)cc1 ZINC000278274382 1029884306 /nfs/dbraw/zinc/88/43/06/1029884306.db2.gz PJBCYLGODQKDAF-NRFANRHFSA-N 0 3 347.462 3.922 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000453350682 1030140205 /nfs/dbraw/zinc/14/02/05/1030140205.db2.gz LXXRQZYOZSUEKO-OAGGEKHMSA-N 0 3 329.362 3.716 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000453379862 1030157990 /nfs/dbraw/zinc/15/79/90/1030157990.db2.gz ZOGLYBBCLSLMDH-BIMULSAOSA-N 0 3 349.324 3.884 20 30 EHEDHN CC[C@@H](C)[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000525885921 1030201994 /nfs/dbraw/zinc/20/19/94/1030201994.db2.gz MYRFQKDHSVKZQZ-CXAGYDPISA-N 0 3 333.863 3.579 20 30 EHEDHN CC[C@@H](NCc1ccccc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000447540337 1030276545 /nfs/dbraw/zinc/27/65/45/1030276545.db2.gz JGAKCVMWTDYVCV-HXUWFJFHSA-N 0 3 335.451 3.636 20 30 EHEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000482646382 1030604640 /nfs/dbraw/zinc/60/46/40/1030604640.db2.gz KXZQRWLKRDKYAX-KRWDZBQOSA-N 0 3 336.435 3.760 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)CC1 ZINC000278402467 1030630302 /nfs/dbraw/zinc/63/03/02/1030630302.db2.gz GBBXEDBBSCEMGL-IEBWSBKVSA-N 0 3 341.499 3.533 20 30 EHEDHN CCC(CC)[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000583802852 1030805928 /nfs/dbraw/zinc/80/59/28/1030805928.db2.gz QTUVZCYHWPDXDT-LJQANCHMSA-N 0 3 333.439 3.868 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000171728266 1030813251 /nfs/dbraw/zinc/81/32/51/1030813251.db2.gz HLBNGGXVWWINRY-IBGZPJMESA-N 0 3 341.499 3.749 20 30 EHEDHN C=CCCCN(C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000583817231 1030828741 /nfs/dbraw/zinc/82/87/41/1030828741.db2.gz CYXMPRXVJUJHIN-ZDUSSCGKSA-N 0 3 326.843 3.724 20 30 EHEDHN Cc1oc(NC(=O)CN[C@@]2(C)CCCc3ccccc32)c(C#N)c1C ZINC000483778563 1031329837 /nfs/dbraw/zinc/32/98/37/1031329837.db2.gz ZMQBOTRIHKPZPA-FQEVSTJZSA-N 0 3 337.423 3.548 20 30 EHEDHN COc1ccc([C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C2CC2)cn1 ZINC000528042105 1031627104 /nfs/dbraw/zinc/62/71/04/1031627104.db2.gz CZYQZUSXMCSDKD-HXPMCKFVSA-N 0 3 325.387 3.903 20 30 EHEDHN C=CCN(CC(=O)NCc1ccccc1COC)CC1CCCCC1 ZINC000484692438 1031886796 /nfs/dbraw/zinc/88/67/96/1031886796.db2.gz XRLWQMMBEJHJTI-UHFFFAOYSA-N 0 3 344.499 3.518 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)C(C)C)cc2)CC1 ZINC000455818504 1032024660 /nfs/dbraw/zinc/02/46/60/1032024660.db2.gz MISHSMHACHJRHV-UHFFFAOYSA-N 0 3 343.471 3.687 20 30 EHEDHN Cc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000449011139 1032054063 /nfs/dbraw/zinc/05/40/63/1032054063.db2.gz YDYJGAYQUSOBFT-UHFFFAOYSA-N 0 3 325.481 3.636 20 30 EHEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)C(c1ccccc1)c1ccccc1 ZINC000594428779 1033366374 /nfs/dbraw/zinc/36/63/74/1033366374.db2.gz OPUYSPLVSBSZJD-PXNSSMCTSA-N 0 3 349.478 3.734 20 30 EHEDHN Cc1cccc(-c2cccc(CNC(=O)[C@@H](N)CCCCC#N)c2)c1 ZINC000594437654 1033374926 /nfs/dbraw/zinc/37/49/26/1033374926.db2.gz MRLOAUHQDMVOAF-FQEVSTJZSA-N 0 3 335.451 3.690 20 30 EHEDHN CC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1F ZINC000594446328 1033379205 /nfs/dbraw/zinc/37/92/05/1033379205.db2.gz QSZXEZAKZPOQRL-HOTGVXAUSA-N 0 3 337.414 3.579 20 30 EHEDHN C[C@H](c1ccccc1Cl)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594426729 1033388529 /nfs/dbraw/zinc/38/85/29/1033388529.db2.gz GFTHNCNLMQKTKG-CXAGYDPISA-N 0 3 333.863 3.803 20 30 EHEDHN CCCCc1ccc2nc(NC(=O)[C@H](N)CCCCC#N)sc2c1 ZINC000594427916 1033388880 /nfs/dbraw/zinc/38/88/80/1033388880.db2.gz XONLSQBGGPOAMR-CQSZACIVSA-N 0 3 344.484 3.989 20 30 EHEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1Cl ZINC000594426452 1033389100 /nfs/dbraw/zinc/38/91/00/1033389100.db2.gz RGGQFXYAUPFMBB-HZMBPMFUSA-N 0 3 328.243 3.582 20 30 EHEDHN C=CCN1CCC(NC(=O)C(C)(C)c2ccc3ccccc3c2)CC1 ZINC000607901438 1033398615 /nfs/dbraw/zinc/39/86/15/1033398615.db2.gz FQDLEZVAXLLEIB-UHFFFAOYSA-N 0 3 336.479 3.884 20 30 EHEDHN CCC[C@@H](N)c1cn(Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000603188758 1033426685 /nfs/dbraw/zinc/42/66/85/1033426685.db2.gz BWGKIUMMZBZCKX-LJQANCHMSA-N 0 3 331.423 3.665 20 30 EHEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000594936601 1033586151 /nfs/dbraw/zinc/58/61/51/1033586151.db2.gz NHQVNGOFPBZERG-IZHWHUGBSA-N 0 3 338.476 3.830 20 30 EHEDHN COc1cc(C)ccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599004794 1033639951 /nfs/dbraw/zinc/63/99/51/1033639951.db2.gz GKXBKHDGDADPRS-UHFFFAOYSA-N 0 3 336.435 3.671 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC2CCCC2)cc1 ZINC000173986597 1033662994 /nfs/dbraw/zinc/66/29/94/1033662994.db2.gz RPXTVQQSYIZQEC-QGZVFWFLSA-N 0 3 328.412 3.703 20 30 EHEDHN CCN1CCN(c2ccc(N[C@@H](C#N)Cc3ccccc3)c(C)c2)CC1 ZINC000603493439 1033704628 /nfs/dbraw/zinc/70/46/28/1033704628.db2.gz NGIADHIUIUICDS-HXUWFJFHSA-N 0 3 348.494 3.684 20 30 EHEDHN C=CCOc1ccc(CNCc2ccccc2Cn2ccnc2)cc1 ZINC000075758093 1033739813 /nfs/dbraw/zinc/73/98/13/1033739813.db2.gz KDBSISGPRGQDTD-UHFFFAOYSA-N 0 3 333.435 3.786 20 30 EHEDHN CCCN(CCC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000108358329 1033788830 /nfs/dbraw/zinc/78/88/30/1033788830.db2.gz AVQVXXVRJHLTJF-HNNXBMFYSA-N 0 3 333.501 3.999 20 30 EHEDHN N#Cc1ccc(CNC[C@@H](O)c2cc(Cl)cc(Cl)c2)s1 ZINC000176972175 1033896845 /nfs/dbraw/zinc/89/68/45/1033896845.db2.gz UXPAJAGFKYGHFO-CQSZACIVSA-N 0 3 327.236 3.750 20 30 EHEDHN N#Cc1cccc(OCCN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593125906 1034011168 /nfs/dbraw/zinc/01/11/68/1034011168.db2.gz QTDQRSZJHPGXEM-FKBYEOEOSA-N 0 3 348.446 3.932 20 30 EHEDHN Cc1cc(NC[C@H](c2cccc(F)c2)N(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596055572 1034056045 /nfs/dbraw/zinc/05/60/45/1034056045.db2.gz RCSNDTHEJVFHMN-QGZVFWFLSA-N 0 3 342.374 3.629 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNc1nc2ncccc2cc1C#N)c1ccco1 ZINC000596231602 1034129733 /nfs/dbraw/zinc/12/97/33/1034129733.db2.gz QQDIIQVNBNBHMK-CJNGLKHVSA-N 0 3 335.411 3.636 20 30 EHEDHN C=CCN(CC=C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604203873 1034263904 /nfs/dbraw/zinc/26/39/04/1034263904.db2.gz CSJNEYNFALJHFB-IBGZPJMESA-N 0 3 327.472 3.597 20 30 EHEDHN COCCN(CCSc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000604494643 1034400260 /nfs/dbraw/zinc/40/02/60/1034400260.db2.gz PYAHBZUIDMZZHB-UHFFFAOYSA-N 0 3 344.455 3.938 20 30 EHEDHN CC(C)(C)OC(=O)C1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596994958 1034498178 /nfs/dbraw/zinc/49/81/78/1034498178.db2.gz FZSYGSDPCSXAQV-UHFFFAOYSA-N 0 3 340.467 3.795 20 30 EHEDHN C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1cnn(C)c1 ZINC000278799689 1035113110 /nfs/dbraw/zinc/11/31/10/1035113110.db2.gz ONSBYSWZIUEUEV-GOSISDBHSA-N 0 3 344.462 3.971 20 30 EHEDHN C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000310653137 1035255128 /nfs/dbraw/zinc/25/51/28/1035255128.db2.gz KMZOAYFSNDQADV-SJORKVTESA-N 0 3 346.471 3.787 20 30 EHEDHN Cc1cc2scc(CC(=O)C(C#N)C(=O)NC3CCCC3)c2s1 ZINC000892530700 1035436832 /nfs/dbraw/zinc/43/68/32/1035436832.db2.gz VGFFAIPLLGVHIV-CYBMUJFWSA-N 0 3 346.477 3.581 20 30 EHEDHN CCN1CCN(c2ccc(NC(=O)CCCCCC#N)c(C)c2)CC1 ZINC000588147498 1035745768 /nfs/dbraw/zinc/74/57/68/1035745768.db2.gz UDFBBIFMCWSJDQ-UHFFFAOYSA-N 0 3 342.487 3.550 20 30 EHEDHN N#CC(C(=O)C=Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129630454 1035810277 /nfs/dbraw/zinc/81/02/77/1035810277.db2.gz SMZXDHJRTRKCGP-FVOPLDGLSA-N 0 3 349.173 3.947 20 30 EHEDHN N#CC(C(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129674469 1036407533 /nfs/dbraw/zinc/40/75/33/1036407533.db2.gz RMEVWKKYIWOBQI-ZYHUDNBSSA-N 0 3 337.206 3.997 20 30 EHEDHN CC1=C[C@@H](C)C[C@@H](CN2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 ZINC000589495864 1036438222 /nfs/dbraw/zinc/43/82/22/1036438222.db2.gz GOBIVHWIVWAOFU-GDBMZVCRSA-N 0 3 340.471 3.538 20 30 EHEDHN CCCOc1nc(C)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000192187939 1036485209 /nfs/dbraw/zinc/48/52/09/1036485209.db2.gz SLIXSASRESRIHO-HNNXBMFYSA-N 0 3 348.406 3.556 20 30 EHEDHN CCCOc1nc(C)ccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000192187939 1036485212 /nfs/dbraw/zinc/48/52/12/1036485212.db2.gz SLIXSASRESRIHO-HNNXBMFYSA-N 0 3 348.406 3.556 20 30 EHEDHN N#CCc1ccc(C(F)(F)F)cc1-n1nc(CN)c2ccccc21 ZINC001167697870 1036849985 /nfs/dbraw/zinc/84/99/85/1036849985.db2.gz GLBVTIKEFTVULR-UHFFFAOYSA-N 0 3 330.313 3.569 20 30 EHEDHN CN(C(=O)CN[C@@]1(C)CCCc2ccccc21)C1(C#N)CCCCC1 ZINC000539807745 1037220846 /nfs/dbraw/zinc/22/08/46/1037220846.db2.gz HMIJDYWMXPJZFE-FQEVSTJZSA-N 0 3 339.483 3.513 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248940418 1037223107 /nfs/dbraw/zinc/22/31/07/1037223107.db2.gz YSUWJIURSAVGLB-OXQOHEQNSA-N 0 3 348.450 3.509 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cc3sc(C)nc3cc2Cl)CC1 ZINC000491286068 1037495613 /nfs/dbraw/zinc/49/56/13/1037495613.db2.gz GUVSFHAVZQGOOD-UHFFFAOYSA-N 0 3 347.871 3.542 20 30 EHEDHN Cc1cc(F)ccc1N1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000532570408 1037668749 /nfs/dbraw/zinc/66/87/49/1037668749.db2.gz XUICAGRIOOPHQQ-SFHVURJKSA-N 0 3 341.405 3.904 20 30 EHEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000428804053 1037705318 /nfs/dbraw/zinc/70/53/18/1037705318.db2.gz SNYVOKUJFWOLDQ-INIZCTEOSA-N 0 3 347.340 3.625 20 30 EHEDHN C=CCN1CCC(NC(=O)C2(c3ccc(F)cc3)CCCCC2)CC1 ZINC000592068477 1037826901 /nfs/dbraw/zinc/82/69/01/1037826901.db2.gz RECDMCQWMGOYNU-UHFFFAOYSA-N 0 3 344.474 3.794 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H]2c3ccccc3CCC[C@H]2C)CC1 ZINC000184181410 1038011302 /nfs/dbraw/zinc/01/13/02/1038011302.db2.gz FDCFUPWWAQVQLH-OXQOHEQNSA-N 0 3 341.499 3.650 20 30 EHEDHN CCN(CC)C(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543877267 1038695968 /nfs/dbraw/zinc/69/59/68/1038695968.db2.gz UBJYKLBRQXXLKG-MRXNPFEDSA-N 0 3 335.451 3.744 20 30 EHEDHN C=CCn1cccc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000488091131 1038843173 /nfs/dbraw/zinc/84/31/73/1038843173.db2.gz PLVWMAPZSFULBX-CQSZACIVSA-N 0 3 334.404 3.683 20 30 EHEDHN C=CCn1cccc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000488091131 1038843194 /nfs/dbraw/zinc/84/31/94/1038843194.db2.gz PLVWMAPZSFULBX-CQSZACIVSA-N 0 3 334.404 3.683 20 30 EHEDHN CCc1nc2c(s1)[C@H](N(C)CCOc1cccc(C#N)c1)CCC2 ZINC000478064805 1039196711 /nfs/dbraw/zinc/19/67/11/1039196711.db2.gz VDDNMTXGCRPQQU-QGZVFWFLSA-N 0 3 341.480 3.965 20 30 EHEDHN Cc1oc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000054610745 1039542961 /nfs/dbraw/zinc/54/29/61/1039542961.db2.gz MIPWHYZNHSPDRC-GOSISDBHSA-N 0 3 325.412 3.694 20 30 EHEDHN COc1cccc(NC(=O)C[C@@H](C)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000584734716 1039666894 /nfs/dbraw/zinc/66/68/94/1039666894.db2.gz JJIXXLYHVWIYJH-OAHLLOKOSA-N 0 3 349.434 3.563 20 30 EHEDHN C=C(C)CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cnn(C(C)C)c1 ZINC000512541718 1039689436 /nfs/dbraw/zinc/68/94/36/1039689436.db2.gz HRKCZMIZSMBVPY-UHFFFAOYSA-N 0 3 342.443 3.993 20 30 EHEDHN C=CCC[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2C)c1ccccc1 ZINC000893767450 1039703632 /nfs/dbraw/zinc/70/36/32/1039703632.db2.gz IAMSPTJHJXXGLZ-OTWHNJEPSA-N 0 3 327.472 3.572 20 30 EHEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000614159528 1040308666 /nfs/dbraw/zinc/30/86/66/1040308666.db2.gz DPVSMZSUUDRUKT-SFHVURJKSA-N 0 3 336.435 3.760 20 30 EHEDHN COc1ccc([C@@H](CO)N(C)Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614166955 1040350606 /nfs/dbraw/zinc/35/06/06/1040350606.db2.gz PYVGFHWJZUAPIQ-HXUWFJFHSA-N 0 3 338.451 3.662 20 30 EHEDHN Cc1ccccc1CNC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433015410 1040451328 /nfs/dbraw/zinc/45/13/28/1040451328.db2.gz KDHOGRAKNXWQDY-HXUWFJFHSA-N 0 3 335.451 3.636 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000433013924 1040451676 /nfs/dbraw/zinc/45/16/76/1040451676.db2.gz ZYLDGZNLFQPOFC-GOSISDBHSA-N 0 3 325.387 3.789 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433018216 1040459209 /nfs/dbraw/zinc/45/92/09/1040459209.db2.gz GEUIZYRCRDUCIT-NZSAHSFTSA-N 0 3 327.472 3.706 20 30 EHEDHN N#CCCC[C@H](NCC(=O)NCC1CCCCC1)c1ccccc1 ZINC000433022468 1040478522 /nfs/dbraw/zinc/47/85/22/1040478522.db2.gz VLOSCQRDNIDOQE-IBGZPJMESA-N 0 3 327.472 3.708 20 30 EHEDHN C=C(CNC(=O)N(CCN(C)C)Cc1cccs1)c1ccccc1 ZINC000512680574 1040501466 /nfs/dbraw/zinc/50/14/66/1040501466.db2.gz CKVZOLFFZVHDSC-UHFFFAOYSA-N 0 3 343.496 3.535 20 30 EHEDHN Cc1ccccc1CN(C)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433028635 1040501971 /nfs/dbraw/zinc/50/19/71/1040501971.db2.gz CNBYDTFVSJYBBU-NRFANRHFSA-N 0 3 349.478 3.978 20 30 EHEDHN C[C@@H](CN(CC#Cc1ccc(F)cc1)[C@@H](C)CO)c1ccccc1 ZINC000553945340 1040615195 /nfs/dbraw/zinc/61/51/95/1040615195.db2.gz WGYATESSHWEXRS-ROUUACIJSA-N 0 3 325.427 3.664 20 30 EHEDHN COc1ccc(CN2CCCC(F)(F)CC2)cc1OCCCC#N ZINC000600187529 1040780570 /nfs/dbraw/zinc/78/05/70/1040780570.db2.gz IHTHKCIMROINJZ-UHFFFAOYSA-N 0 3 338.398 3.999 20 30 EHEDHN C#CCN(C(=S)Nc1ccc(C(C)C)cc1)C1CCN(C)CC1 ZINC000899613857 1040877090 /nfs/dbraw/zinc/87/70/90/1040877090.db2.gz RCSPPTDKKQKHIJ-UHFFFAOYSA-N 0 3 329.513 3.536 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCOc4ccccc43)nc21 ZINC000842309232 1040900279 /nfs/dbraw/zinc/90/02/79/1040900279.db2.gz ZOFHWPXLUJTJFQ-LSDHHAIUSA-N 0 3 331.375 3.614 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CCOc4ccccc43)[nH]c21 ZINC000842309232 1040900303 /nfs/dbraw/zinc/90/03/03/1040900303.db2.gz ZOFHWPXLUJTJFQ-LSDHHAIUSA-N 0 3 331.375 3.614 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000487672241 1041027438 /nfs/dbraw/zinc/02/74/38/1041027438.db2.gz GVBRQOCJJXHDDG-LJQANCHMSA-N 0 3 333.520 3.781 20 30 EHEDHN C=C(C)CN(CC)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000512908215 1041221087 /nfs/dbraw/zinc/22/10/87/1041221087.db2.gz ZSDKBGVECALPMT-LJQANCHMSA-N 0 3 347.503 3.684 20 30 EHEDHN C=CCC(CC=C)C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000500406646 1041383220 /nfs/dbraw/zinc/38/32/20/1041383220.db2.gz GMUAWYILOROXIA-FQEVSTJZSA-N 0 3 342.483 3.717 20 30 EHEDHN CCCc1sc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc1CC ZINC000125121616 1041898552 /nfs/dbraw/zinc/89/85/52/1041898552.db2.gz OFMORVVUQVGJIF-CYBMUJFWSA-N 0 3 341.436 3.619 20 30 EHEDHN C=CCN(Cc1ccc(OCc2ccncc2)cc1)[C@@H](C)COC ZINC000661243779 1042024312 /nfs/dbraw/zinc/02/43/12/1042024312.db2.gz NEQCRRJOMZVNIP-KRWDZBQOSA-N 0 3 326.440 3.684 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000198201933 1042340044 /nfs/dbraw/zinc/34/00/44/1042340044.db2.gz ZNJQRTBVADAEQC-RBBKRZOGSA-N 0 3 349.478 3.614 20 30 EHEDHN COc1ccccc1[C@@H](CNc1cnccc1C#N)N1CCCCC1 ZINC000094139952 1042849744 /nfs/dbraw/zinc/84/97/44/1042849744.db2.gz GSVXWJNXDIBCHP-LJQANCHMSA-N 0 3 336.439 3.601 20 30 EHEDHN N#Cc1ccc2ncc(CNCc3ccc(-c4cccnc4)cc3)n2c1 ZINC000344581873 1044156856 /nfs/dbraw/zinc/15/68/56/1044156856.db2.gz QMSUBEUTOMISHD-UHFFFAOYSA-N 0 3 339.402 3.558 20 30 EHEDHN C=CCOc1ccccc1CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000344851467 1044531165 /nfs/dbraw/zinc/53/11/65/1044531165.db2.gz HPVBJIOOFOOMPJ-MRXNPFEDSA-N 0 3 325.412 3.501 20 30 EHEDHN C=CCc1cc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc(OC)c1O ZINC000344853257 1044533674 /nfs/dbraw/zinc/53/36/74/1044533674.db2.gz WZIYCBBLGPSONM-IBGZPJMESA-N 0 3 343.471 3.740 20 30 EHEDHN CCOC[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000154851941 1125761640 /nfs/dbraw/zinc/76/16/40/1125761640.db2.gz MRJLOBFKQZMQDY-MRXNPFEDSA-N 0 3 341.373 3.685 20 30 EHEDHN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179484145 1127067321 /nfs/dbraw/zinc/06/73/21/1127067321.db2.gz DXMRNMNJZWBBEI-SFTDATJTSA-N 0 3 349.478 3.830 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000181004634 1127264000 /nfs/dbraw/zinc/26/40/00/1127264000.db2.gz ZKIWHUOOFMWJEM-UXHICEINSA-N 0 3 345.462 3.701 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ncnc2ccsc21 ZINC000764836189 1127540546 /nfs/dbraw/zinc/54/05/46/1127540546.db2.gz WGJIHPOZHVBDTO-ZDUSSCGKSA-N 0 3 337.452 3.611 20 30 EHEDHN N#CC[C@H](CC(=O)O[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000796687819 1127728296 /nfs/dbraw/zinc/72/82/96/1127728296.db2.gz BQJADPKUZMYDPQ-NHCUHLMSSA-N 0 3 348.446 3.892 20 30 EHEDHN Cc1cc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)ccc1C#N ZINC000338593059 1127871401 /nfs/dbraw/zinc/87/14/01/1127871401.db2.gz QWHAFJYGGLUUPZ-UHFFFAOYSA-N 0 3 343.434 3.612 20 30 EHEDHN COc1cccc([C@@H]2[C@@H](NCc3ccccc3C#N)CCN2C2CC2)c1 ZINC000338634359 1127941447 /nfs/dbraw/zinc/94/14/47/1127941447.db2.gz WTTJZLDAFPJFTR-FCHUYYIVSA-N 0 3 347.462 3.634 20 30 EHEDHN CC[C@H]1Oc2cc([C@H](C)NCc3ccc(C#N)cc3C)ccc2NC1=O ZINC000186322834 1128387998 /nfs/dbraw/zinc/38/79/98/1128387998.db2.gz IUBXWOMZIKPHFV-IFXJQAMLSA-N 0 3 349.434 3.827 20 30 EHEDHN Cc1cccc([C@@H]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)c1 ZINC000273103465 1128441795 /nfs/dbraw/zinc/44/17/95/1128441795.db2.gz PADYKIZSFKRWKH-LJQANCHMSA-N 0 3 344.418 3.906 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccccc2C)CC1 ZINC000106275253 1128488608 /nfs/dbraw/zinc/48/86/08/1128488608.db2.gz VDZKUSJXZSPTNA-HXUWFJFHSA-N 0 3 341.499 3.882 20 30 EHEDHN N#Cc1cnc2ccccc2c1NCCN1CCc2ccccc2C1 ZINC000301370660 1128588222 /nfs/dbraw/zinc/58/82/22/1128588222.db2.gz VCQWKEHWGDLLMU-UHFFFAOYSA-N 0 3 328.419 3.577 20 30 EHEDHN C=C(CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000508902045 1128733035 /nfs/dbraw/zinc/73/30/35/1128733035.db2.gz ZUDHWGJSQFJAQQ-FXAWDEMLSA-N 0 3 337.467 3.690 20 30 EHEDHN COC(C)(C)C[C@H](C)NCc1cc(C#N)ccc1Br ZINC000921783725 1128758588 /nfs/dbraw/zinc/75/85/88/1128758588.db2.gz HQJHZNYRJKMRLO-NSHDSACASA-N 0 3 325.250 3.614 20 30 EHEDHN C[C@@H](NCC(=O)N(C)CC1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942358 1128889055 /nfs/dbraw/zinc/88/90/55/1128889055.db2.gz PRTMEGMPOZMZDF-MRXNPFEDSA-N 0 3 347.462 3.744 20 30 EHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000495140765 1120967226 /nfs/dbraw/zinc/96/72/26/1120967226.db2.gz QKOJYMALVSHSOI-OAHLLOKOSA-N 0 3 335.407 3.560 20 30 EHEDHN CCCCCCCCCC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000914879660 1121034001 /nfs/dbraw/zinc/03/40/01/1121034001.db2.gz OTGHDSSUKZVZKX-LJQANCHMSA-N 0 3 338.536 3.840 20 30 EHEDHN C=CCN1CCC(NC(=O)c2oc3c(c2C)c(C)ccc3C)CC1 ZINC000171714920 1121501587 /nfs/dbraw/zinc/50/15/87/1121501587.db2.gz TVJDSGRUQTWHGH-UHFFFAOYSA-N 0 3 326.440 3.738 20 30 EHEDHN CCN(Cc1cnc2c(c1)c(C)nn2C)[C@H](C)c1ccc(C#N)cc1 ZINC000193757404 1121620723 /nfs/dbraw/zinc/62/07/23/1121620723.db2.gz HLWFZZHCZUKNSY-OAHLLOKOSA-N 0 3 333.439 3.732 20 30 EHEDHN CCN(CC1(C#N)CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496624989 1122137481 /nfs/dbraw/zinc/13/74/81/1122137481.db2.gz QCJILZINSHKVNM-INIZCTEOSA-N 0 3 335.492 3.792 20 30 EHEDHN CN(C)c1ccc([C@H](CNCCC#N)c2c[nH]c3ccccc32)cc1 ZINC000916576859 1122202077 /nfs/dbraw/zinc/20/20/77/1122202077.db2.gz WCRAWEOAHXXTCU-IBGZPJMESA-N 0 3 332.451 3.869 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000916878443 1122377983 /nfs/dbraw/zinc/37/79/83/1122377983.db2.gz WTATVPPOAMOBDH-MAUKXSAKSA-N 0 3 344.455 3.593 20 30 EHEDHN CC(C)c1ccccc1OCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000916899961 1122382156 /nfs/dbraw/zinc/38/21/56/1122382156.db2.gz YABCOKVGQYOWHC-KRWDZBQOSA-N 0 3 336.391 3.536 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC2CCCC2)cc1 ZINC000916947922 1122409042 /nfs/dbraw/zinc/40/90/42/1122409042.db2.gz CEGXCNCUAYZMAM-KSSFIOAISA-N 0 3 342.439 3.807 20 30 EHEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000916948682 1122410255 /nfs/dbraw/zinc/41/02/55/1122410255.db2.gz JIZLJMIOGKQZBY-PBHICJAKSA-N 0 3 330.428 3.664 20 30 EHEDHN C[C@@H](N(C)CC(=O)C(C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000917098984 1122493038 /nfs/dbraw/zinc/49/30/38/1122493038.db2.gz YFLPLUSMDCIGRQ-CHWSQXEVSA-N 0 3 329.469 3.839 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2[C@H](C)c2ccccc2)CC1 ZINC000917137102 1122531022 /nfs/dbraw/zinc/53/10/22/1122531022.db2.gz LSBLCKACJPSDQM-XLIONFOSSA-N 0 3 341.499 3.615 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000917160861 1122541207 /nfs/dbraw/zinc/54/12/07/1122541207.db2.gz LMAMTMYSSVBWNT-AWEZNQCLSA-N 0 3 339.395 3.748 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000917557362 1122636699 /nfs/dbraw/zinc/63/66/99/1122636699.db2.gz HUFCQQAVQVVSRT-UYRXBGFRSA-N 0 3 327.384 3.766 20 30 EHEDHN C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1n1ccnc1 ZINC000129623333 1122811969 /nfs/dbraw/zinc/81/19/69/1122811969.db2.gz NBWVSMAZZMABMX-QAPCUYQASA-N 0 3 347.384 3.837 20 30 EHEDHN CN1CCC[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 ZINC000918548568 1122844620 /nfs/dbraw/zinc/84/46/20/1122844620.db2.gz XKCOTLZJFNTIOZ-WOJBJXKFSA-N 0 3 348.450 3.558 20 30 EHEDHN Cc1ccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000609627440 1123628696 /nfs/dbraw/zinc/62/86/96/1123628696.db2.gz WNEGILMYQYDCRG-CYBMUJFWSA-N 0 3 325.368 3.990 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)cc1)c1nc2cc(F)ccc2s1 ZINC000609627626 1123629406 /nfs/dbraw/zinc/62/94/06/1123629406.db2.gz YQPZULRWWRIOBA-GFCCVEGCSA-N 0 3 329.331 3.820 20 30 EHEDHN CC(C)[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000609631868 1123634878 /nfs/dbraw/zinc/63/48/78/1123634878.db2.gz ALGHIEOJPXBZSO-GOSISDBHSA-N 0 3 327.472 3.691 20 30 EHEDHN C[C@H](NCc1ccc(OCc2nccn2C)cc1)c1ccc(C#N)cc1 ZINC000075802156 1123658584 /nfs/dbraw/zinc/65/85/84/1123658584.db2.gz JPAYUDHJDMTRRF-INIZCTEOSA-N 0 3 346.434 3.722 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180918566 1124101564 /nfs/dbraw/zinc/10/15/64/1124101564.db2.gz BALKBXRGGDKDSB-ROUUACIJSA-N 0 3 349.478 3.988 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCc3nc(C)ncc32)c([O-])c1 ZINC000734752245 1131271269 /nfs/dbraw/zinc/27/12/69/1131271269.db2.gz CCCFHIUSOMQJFJ-YPKZHZFPSA-N 0 3 338.455 3.833 20 30 EHEDHN CC[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000618571992 1125120642 /nfs/dbraw/zinc/12/06/42/1125120642.db2.gz CSUSZCAMYRNQNF-MOPGFXCFSA-N 0 3 325.456 3.533 20 30 EHEDHN COc1ccccc1CCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000735309379 1131333920 /nfs/dbraw/zinc/33/39/20/1131333920.db2.gz MBUHMWUMQINOEN-UHFFFAOYSA-N 0 3 344.842 3.925 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(COc2ccccc2)CC1 ZINC000618989040 1125262792 /nfs/dbraw/zinc/26/27/92/1125262792.db2.gz KVPJLQUZQHSUHK-SFHVURJKSA-N 0 3 344.499 3.591 20 30 EHEDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1csc(C#N)c1 ZINC000922201532 1129340717 /nfs/dbraw/zinc/34/07/17/1129340717.db2.gz LLEHCMAYRUWQFW-HUUCEWRRSA-N 0 3 335.473 3.545 20 30 EHEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000543209215 1129343285 /nfs/dbraw/zinc/34/32/85/1129343285.db2.gz HDFRLLRMODZMAB-SFHVURJKSA-N 0 3 328.456 3.696 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000922250075 1129402073 /nfs/dbraw/zinc/40/20/73/1129402073.db2.gz OFXGFTXDOUUUFW-HZPDHXFCSA-N 0 3 335.492 3.743 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3OCCc4ccccc43)nc21 ZINC000735792116 1131381003 /nfs/dbraw/zinc/38/10/03/1131381003.db2.gz HUBHGDONIYAZAC-VQIMIIECSA-N 0 3 345.402 3.752 20 30 EHEDHN CC(C)CN(Cc1ccccc1C#N)C[C@@H](O)c1ccc(F)cc1 ZINC000735872785 1131384556 /nfs/dbraw/zinc/38/45/56/1131384556.db2.gz VXJWWSPCTMCICD-HXUWFJFHSA-N 0 3 326.415 3.889 20 30 EHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc2ncccc2c1 ZINC000124403757 1129604664 /nfs/dbraw/zinc/60/46/64/1129604664.db2.gz HMGAFBUQFUTDKD-UHFFFAOYSA-N 0 3 331.419 3.755 20 30 EHEDHN CC1(C)[C@@H](C(F)(F)F)CCN1CCC(=O)Nc1sccc1C#N ZINC000330958850 1129649691 /nfs/dbraw/zinc/64/96/91/1129649691.db2.gz IQOGYDDXVTVRBL-NSHDSACASA-N 0 3 345.390 3.611 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000658059348 1130101630 /nfs/dbraw/zinc/10/16/30/1130101630.db2.gz IHEQTBZOQDRMHF-XYPHTWIQSA-N 0 3 337.460 3.769 20 30 EHEDHN CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000173826359 1130319917 /nfs/dbraw/zinc/31/99/17/1130319917.db2.gz NOTRXLAZIGQRKI-INIZCTEOSA-N 0 3 335.451 3.843 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2-c2ncco2)CC1 ZINC000820530772 1130880480 /nfs/dbraw/zinc/88/04/80/1130880480.db2.gz GVNFRWDQEKLIBN-UHFFFAOYSA-N 0 3 340.427 3.504 20 30 EHEDHN CC(C)n1cc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)cn1 ZINC000732820282 1130959735 /nfs/dbraw/zinc/95/97/35/1130959735.db2.gz HAJGIHFJPFPFOE-INIZCTEOSA-N 0 3 325.460 3.665 20 30 EHEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000733054173 1130986647 /nfs/dbraw/zinc/98/66/47/1130986647.db2.gz ZJQQKXQUROHVEQ-RDBSUJKOSA-N 0 3 348.830 3.583 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(Cl)c2)C[C@H]1C#N ZINC001172968734 1131921174 /nfs/dbraw/zinc/92/11/74/1131921174.db2.gz SNMFCAGZDOLMGR-CVEARBPZSA-N 0 3 349.862 3.721 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](NC2(c3ccccc3)CC2)C[C@H]1C#N ZINC001172972434 1131921795 /nfs/dbraw/zinc/92/17/95/1131921795.db2.gz YUHUXXPHHKWVNY-SJORKVTESA-N 0 3 341.455 3.557 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCN2Cc3ccccc3C2)c([O-])c1 ZINC000743538899 1131943533 /nfs/dbraw/zinc/94/35/33/1131943533.db2.gz RRCAKVKPNLENRL-HYARGMPZSA-N 0 3 337.467 3.673 20 30 EHEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000744028951 1132006802 /nfs/dbraw/zinc/00/68/02/1132006802.db2.gz PEJWCRJHHRBCGG-VXGBXAGGSA-N 0 3 330.771 3.693 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2C1CCC(C)(C#N)CC1 ZINC001173593700 1132098468 /nfs/dbraw/zinc/09/84/68/1132098468.db2.gz LZDRTOKOALGVHB-IOSXPMGOSA-N 0 3 333.476 3.543 20 30 EHEDHN CC(C)(C)[C@@H](NCn1cc2c(c(C#N)c1=O)CCC2)c1ccccc1 ZINC000766611739 1132681865 /nfs/dbraw/zinc/68/18/65/1132681865.db2.gz INWWLAWHFWJPOC-IBGZPJMESA-N 0 3 335.451 3.543 20 30 EHEDHN CCN1CCN(c2ccc(Nc3cc(F)c(C#N)cc3C)cc2)CC1 ZINC001175780758 1132763954 /nfs/dbraw/zinc/76/39/54/1132763954.db2.gz ALZYSCKNRMREAN-UHFFFAOYSA-N 0 3 338.430 3.891 20 30 EHEDHN CC(=O)N1CC[C@@H](N(Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)C1 ZINC001169560313 1132786042 /nfs/dbraw/zinc/78/60/42/1132786042.db2.gz LNNCHASFTXUYTH-VGOFRKELSA-N 0 3 347.462 3.742 20 30 EHEDHN C#C[C@@](C)(CC)Nc1ccc(CN2CCN(C(C)C)CC2)cc1F ZINC001169700068 1132826745 /nfs/dbraw/zinc/82/67/45/1132826745.db2.gz GWZNJHDNEWOIBL-FQEVSTJZSA-N 0 3 331.479 3.566 20 30 EHEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@H](C)CN1Cc1ccccc1 ZINC000766964187 1132923288 /nfs/dbraw/zinc/92/32/88/1132923288.db2.gz PLTBQRDFXCUPJD-RTBURBONSA-N 0 3 349.478 3.684 20 30 EHEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@@H](C)CN1Cc1ccccc1 ZINC000766964184 1132923730 /nfs/dbraw/zinc/92/37/30/1132923730.db2.gz PLTBQRDFXCUPJD-MOPGFXCFSA-N 0 3 349.478 3.684 20 30 EHEDHN C[C@@H]1CC(N=Nc2nncc3ccccc32)CN(Cc2ccccc2)C1 ZINC000767357624 1132988774 /nfs/dbraw/zinc/98/87/74/1132988774.db2.gz IIJHCRHVYKVPEI-MRXNPFEDSA-N 0 3 345.450 3.940 20 30 EHEDHN CCCCCCCCN1CCN(Cc2nccn2C(F)F)CC1 ZINC000746493245 1133054653 /nfs/dbraw/zinc/05/46/53/1133054653.db2.gz RSLDSQHZBFFYFS-UHFFFAOYSA-N 0 3 328.451 3.756 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC001177905315 1133110631 /nfs/dbraw/zinc/11/06/31/1133110631.db2.gz XXNIXDGVLLKHSM-ZETCQYMHSA-N 0 3 331.344 3.544 20 30 EHEDHN CCNc1ccnc(Cl)c1NC(=O)C(C#N)Cc1cccs1 ZINC001177904843 1133111193 /nfs/dbraw/zinc/11/11/93/1133111193.db2.gz SSGOLIWPAFQWKW-SNVBAGLBSA-N 0 3 334.832 3.549 20 30 EHEDHN N#CCOc1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000769227804 1133247079 /nfs/dbraw/zinc/24/70/79/1133247079.db2.gz GUXPSOCPURVUBL-HNNXBMFYSA-N 0 3 328.362 3.857 20 30 EHEDHN COc1cc(CN2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC001180142949 1133331554 /nfs/dbraw/zinc/33/15/54/1133331554.db2.gz SHBBTZFKBWIHCJ-ZWKOTPCHSA-N 0 3 349.478 3.662 20 30 EHEDHN CCCCN(CC)[C@H](C(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC001182233542 1133595009 /nfs/dbraw/zinc/59/50/09/1133595009.db2.gz HSUFEEUVSFRZDZ-IBGZPJMESA-N 0 3 340.471 3.506 20 30 EHEDHN CCCCN(CC)[C@@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 ZINC001182236650 1133596385 /nfs/dbraw/zinc/59/63/85/1133596385.db2.gz ZWMIGPQCJVFULO-PKOBYXMFSA-N 0 3 327.472 3.612 20 30 EHEDHN CCCCN(CC)[C@@H](C(=O)N[C@H](C#N)CC(C)C)c1ccccc1 ZINC001182237920 1133604365 /nfs/dbraw/zinc/60/43/65/1133604365.db2.gz TWZFFLOIANREBO-RBUKOAKNSA-N 0 3 329.488 3.904 20 30 EHEDHN CC#CCCCCCCCC(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001182771747 1133731592 /nfs/dbraw/zinc/73/15/92/1133731592.db2.gz IOXFBMIYZKBFHE-UHFFFAOYSA-N 0 3 325.456 3.976 20 30 EHEDHN CC#CCCCCCCCC(=O)NCCc1c[nH]c2ccncc12 ZINC001182771747 1133731595 /nfs/dbraw/zinc/73/15/95/1133731595.db2.gz IOXFBMIYZKBFHE-UHFFFAOYSA-N 0 3 325.456 3.976 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC000787068758 1133945415 /nfs/dbraw/zinc/94/54/15/1133945415.db2.gz ZIMWTWWPLBLMQI-QGZVFWFLSA-N 0 3 326.440 3.570 20 30 EHEDHN Cc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1C#N ZINC000774885624 1134089955 /nfs/dbraw/zinc/08/99/55/1134089955.db2.gz CQOCHJLXNNQUMJ-MAUKXSAKSA-N 0 3 343.471 3.602 20 30 EHEDHN COc1ccc(CNCc2cc(C)cc(Br)c2)cc1C#N ZINC000774999071 1134195572 /nfs/dbraw/zinc/19/55/72/1134195572.db2.gz QGJPNORKTQLPOI-UHFFFAOYSA-N 0 3 345.240 3.928 20 30 EHEDHN CC(C)[C@@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)N(C)C ZINC000789801180 1134336505 /nfs/dbraw/zinc/33/65/05/1134336505.db2.gz OJPLFYPJIXBFSG-RISCZKNCSA-N 0 3 335.860 3.712 20 30 EHEDHN Cc1ccc2c(c1)N(CC(=O)C(C#N)c1nc3ccccc3s1)CC2 ZINC000746868998 1134356479 /nfs/dbraw/zinc/35/64/79/1134356479.db2.gz PDZNCARBFFJLAW-HNNXBMFYSA-N 0 3 347.443 3.844 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccc(C)o2)cc1 ZINC000775227842 1134554198 /nfs/dbraw/zinc/55/41/98/1134554198.db2.gz QAHPYWGIXBDSTF-SFHVURJKSA-N 0 3 338.407 3.821 20 30 EHEDHN C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000775338291 1134646779 /nfs/dbraw/zinc/64/67/79/1134646779.db2.gz OOJNAVPTFDYWQV-MRXNPFEDSA-N 0 3 333.435 3.645 20 30 EHEDHN CCCCCCCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001191104672 1134794164 /nfs/dbraw/zinc/79/41/64/1134794164.db2.gz MLINPQWDUGCPQF-UHFFFAOYSA-N 0 3 346.519 3.920 20 30 EHEDHN CC[C@@H]1CC(N2CC(CC#N)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170485113 1135303429 /nfs/dbraw/zinc/30/34/29/1135303429.db2.gz TVUVHTMDUNWAMB-HZPDHXFCSA-N 0 3 335.492 3.789 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCCC(C)(C)C)c1 ZINC000805852752 1135338701 /nfs/dbraw/zinc/33/87/01/1135338701.db2.gz BCRQIEVNTZKYNK-INIZCTEOSA-N 0 3 330.428 3.949 20 30 EHEDHN C=C[C@@](C)(CCOC)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000805925048 1135356071 /nfs/dbraw/zinc/35/60/71/1135356071.db2.gz CLYRLIYFOWCOBO-FQEVSTJZSA-N 0 3 331.456 3.668 20 30 EHEDHN Cc1ccc(CN2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)cc1C#N ZINC001195287645 1135407295 /nfs/dbraw/zinc/40/72/95/1135407295.db2.gz CTDRDRLXTOCFPV-WBVHZDCISA-N 0 3 328.456 3.809 20 30 EHEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@@H](CC)c2ccccc2OCC)C1 ZINC001195946085 1135498081 /nfs/dbraw/zinc/49/80/81/1135498081.db2.gz GKWHWHHEQPFUHJ-MJGOQNOKSA-N 0 3 344.499 3.941 20 30 EHEDHN C#C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000809682740 1135871546 /nfs/dbraw/zinc/87/15/46/1135871546.db2.gz AFERQJOWYSGKNU-HNNXBMFYSA-N 0 3 346.390 3.559 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H]1CCCSC1 ZINC000810529423 1135970519 /nfs/dbraw/zinc/97/05/19/1135970519.db2.gz GMTWUCMRGGESJN-HZPDHXFCSA-N 0 3 344.480 3.602 20 30 EHEDHN C=CCOCc1nn(C)c2c1CN(C[C@H](C)CCC=C(C)C)CC2 ZINC001201486216 1136026923 /nfs/dbraw/zinc/02/69/23/1136026923.db2.gz HBYXPCIFCKWSCW-QGZVFWFLSA-N 0 3 331.504 3.863 20 30 EHEDHN CCCCCCCCN1CC2(C1)CCN(C(=O)c1cccnc1)C2 ZINC001201826433 1136067955 /nfs/dbraw/zinc/06/79/55/1136067955.db2.gz WLIZJYUQEQBZMF-UHFFFAOYSA-N 0 3 329.488 3.590 20 30 EHEDHN CCCCCCCCCN1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001201846759 1136070498 /nfs/dbraw/zinc/07/04/98/1136070498.db2.gz KXTCEVPLGREUPG-UHFFFAOYSA-N 0 3 326.525 3.696 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(Cl)cc1Cl ZINC001202091250 1136093303 /nfs/dbraw/zinc/09/33/03/1136093303.db2.gz UZBJXXZFYQCLJX-LBPRGKRZSA-N 0 3 328.243 3.765 20 30 EHEDHN C[C@H]1C(N=Nc2ccc3c(cc[nH]c3=O)c2)CCN1Cc1ccccc1 ZINC000811648722 1136116939 /nfs/dbraw/zinc/11/69/39/1136116939.db2.gz XLXJNOMLSUNALS-HNNXBMFYSA-N 0 3 346.434 3.590 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc2ccccc2c1C#N ZINC001170679971 1136219549 /nfs/dbraw/zinc/21/95/49/1136219549.db2.gz OAJUGSAMJVLPIY-AWEZNQCLSA-N 0 3 339.402 3.979 20 30 EHEDHN CC(C)CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000812884727 1136265390 /nfs/dbraw/zinc/26/53/90/1136265390.db2.gz YQDIOCYXLYSXHZ-HXUWFJFHSA-N 0 3 345.462 3.760 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC2(C#N)CCCCC2)cc1 ZINC000850760052 1136301505 /nfs/dbraw/zinc/30/15/05/1136301505.db2.gz PQONDUKNUFGPTG-QGZVFWFLSA-N 0 3 337.423 3.761 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2occc2C)cc1 ZINC000850761276 1136301904 /nfs/dbraw/zinc/30/19/04/1136301904.db2.gz JTCWKZWZRJEGEQ-SUMWQHHRSA-N 0 3 338.407 3.992 20 30 EHEDHN N#CC1(CC(=O)OCC2CCN(Cc3ccco3)CC2)CCCCC1 ZINC000850907191 1136317007 /nfs/dbraw/zinc/31/70/07/1136317007.db2.gz WFVSITAQKCHACM-UHFFFAOYSA-N 0 3 344.455 3.899 20 30 EHEDHN CC1(C)CC[C@@H]1C(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000851110219 1136338574 /nfs/dbraw/zinc/33/85/74/1136338574.db2.gz YVQNEUQIVVEOIM-GOSISDBHSA-N 0 3 340.467 3.772 20 30 EHEDHN CC1(C)Cc2c(cnn2-c2ccccc2)CN([C@H]2CC[C@H](C#N)C2)C1 ZINC000854062004 1136584805 /nfs/dbraw/zinc/58/48/05/1136584805.db2.gz ROHPWKSMIDKIFW-LPHOPBHVSA-N 0 3 334.467 3.949 20 30 EHEDHN C[C@@H]1[C@H](OC(=O)c2cccc(CC#N)c2)CCCN1Cc1ccccc1 ZINC000816468981 1136720136 /nfs/dbraw/zinc/72/01/36/1136720136.db2.gz QGEMPVQXKXSBQB-DYESRHJHSA-N 0 3 348.446 3.963 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000856759621 1136807356 /nfs/dbraw/zinc/80/73/56/1136807356.db2.gz XGLWEQXIFBVLNJ-FGTMMUONSA-N 0 3 327.472 3.608 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000818346683 1136870616 /nfs/dbraw/zinc/87/06/16/1136870616.db2.gz HTDZEYLFRUEFBD-GMXVVIOVSA-N 0 3 343.290 3.537 20 30 EHEDHN C#CCCCOc1cccnc1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000820605859 1136999805 /nfs/dbraw/zinc/99/98/05/1136999805.db2.gz VVQUYJLVVOVJDI-SFHVURJKSA-N 0 3 341.430 3.728 20 30 EHEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)C(F)(F)F ZINC000860467226 1137061854 /nfs/dbraw/zinc/06/18/54/1137061854.db2.gz GXICRRZESFFRFZ-LDYMZIIASA-N 0 3 332.709 3.576 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000822526812 1137062536 /nfs/dbraw/zinc/06/25/36/1137062536.db2.gz YKLPYDFNIDFGLA-OAHLLOKOSA-N 0 3 333.435 3.660 20 30 EHEDHN COc1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1C#N ZINC000825310976 1137174124 /nfs/dbraw/zinc/17/41/24/1137174124.db2.gz FBIOZPUHVBIEGA-SFHVURJKSA-N 0 3 342.464 3.622 20 30 EHEDHN C#CCN1CCC(C(=O)NCC(C)(C)c2ccc3ccccc3c2)CC1 ZINC000863502063 1137189511 /nfs/dbraw/zinc/18/95/11/1137189511.db2.gz RUKQHPHLHBOJDO-UHFFFAOYSA-N 0 3 348.490 3.579 20 30 EHEDHN CO[C@@H](CN(C)C[C@@H](O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000844371051 1137213127 /nfs/dbraw/zinc/21/31/27/1137213127.db2.gz MACYRVVUJJMDKU-MOPGFXCFSA-N 0 3 344.842 3.565 20 30 EHEDHN Cn1cc(CN2CCC[C@]3(CC3(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000844438569 1137223063 /nfs/dbraw/zinc/22/30/63/1137223063.db2.gz FAFSNIQPNHEHLD-SFHVURJKSA-N 0 3 342.393 3.580 20 30 EHEDHN CCN(Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000120028870 1137225369 /nfs/dbraw/zinc/22/53/69/1137225369.db2.gz ZKQQEVBFHFQKJX-HNNXBMFYSA-N 0 3 338.407 3.728 20 30 EHEDHN C=CCC(C)(C)C(=O)N(Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001144069049 1137234557 /nfs/dbraw/zinc/23/45/57/1137234557.db2.gz DGKPDBZVANWAJC-UHFFFAOYSA-N 0 3 332.463 3.851 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccccc2OCc2ccccc2)CC1 ZINC000844973539 1137266735 /nfs/dbraw/zinc/26/67/35/1137266735.db2.gz KQHFRDVLKJWLEC-UHFFFAOYSA-N 0 3 348.446 3.549 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCc2ccccc2C1 ZINC000845436708 1137291932 /nfs/dbraw/zinc/29/19/32/1137291932.db2.gz JDGLJWXPYBFQHW-DLBZAZTESA-N 0 3 329.403 3.555 20 30 EHEDHN CSCc1ccc(CNCc2cc(C#N)ccc2N(C)C)cc1 ZINC000865566533 1137295723 /nfs/dbraw/zinc/29/57/23/1137295723.db2.gz KCRKDCLBCWABRG-UHFFFAOYSA-N 0 3 325.481 3.777 20 30 EHEDHN C#Cc1ccc(CN2CCCN(C(=O)OC(C)(C)C)CCC2)cc1 ZINC001144578897 1137310545 /nfs/dbraw/zinc/31/05/45/1137310545.db2.gz SKZOIEVDSWRGER-UHFFFAOYSA-N 0 3 328.456 3.501 20 30 EHEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ccc(CSC(F)F)o1)C2 ZINC000865849917 1137316567 /nfs/dbraw/zinc/31/65/67/1137316567.db2.gz YGUXRTNYNFIWOG-AWEZNQCLSA-N 0 3 334.391 3.864 20 30 EHEDHN C#Cc1ccc(CN2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)cc1 ZINC000846054099 1137330890 /nfs/dbraw/zinc/33/08/90/1137330890.db2.gz CKXLLNMEUJAALL-KXBFYZLASA-N 0 3 335.451 3.629 20 30 EHEDHN C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000866335638 1137346646 /nfs/dbraw/zinc/34/66/46/1137346646.db2.gz DIQBUCOCDPQXQU-HLLBOEOZSA-N 0 3 327.472 3.567 20 30 EHEDHN Cc1nc([C@H](C)NC2CCN(c3ccccc3C#N)CC2)c(C)s1 ZINC000866448178 1137355626 /nfs/dbraw/zinc/35/56/26/1137355626.db2.gz ASEAYNXZVIHZHU-ZDUSSCGKSA-N 0 3 340.496 3.951 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001171230066 1137355818 /nfs/dbraw/zinc/35/58/18/1137355818.db2.gz SKKIKGYRROXPSN-DYVFJYSZSA-N 0 3 340.389 3.515 20 30 EHEDHN CC(N=Nc1ncccc1F)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000794989558 1137397155 /nfs/dbraw/zinc/39/71/55/1137397155.db2.gz IUHGSSHFVWTDQD-UHFFFAOYSA-N 0 3 342.418 3.748 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cnccc2C)ccc1OC ZINC000772980468 1137406652 /nfs/dbraw/zinc/40/66/52/1137406652.db2.gz OYUXRVPGQZVPMP-WBVHZDCISA-N 0 3 339.439 3.930 20 30 EHEDHN CCCCN(CCC#N)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171894574 1137517572 /nfs/dbraw/zinc/51/75/72/1137517572.db2.gz HOXHZJWPTTVBBT-IBGZPJMESA-N 0 3 327.472 3.697 20 30 EHEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=N)c1ccc(F)cn1 ZINC001171959836 1137519383 /nfs/dbraw/zinc/51/93/83/1137519383.db2.gz IEVJTZPKEMJOQN-JTQLQIEISA-N 0 3 325.309 3.576 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC001172319111 1137546830 /nfs/dbraw/zinc/54/68/30/1137546830.db2.gz LIGWCQJARCMNFK-OALUTQOASA-N 0 3 333.479 3.868 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3nccnc3c2)c1 ZINC000873050083 1137588926 /nfs/dbraw/zinc/58/89/26/1137588926.db2.gz JZUVROFLVPIBCH-QGZVFWFLSA-N 0 3 332.407 3.601 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000876558836 1137655488 /nfs/dbraw/zinc/65/54/88/1137655488.db2.gz TVBBSYJBCRRZOU-JMCQJSRRSA-N 0 3 339.625 3.780 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000876585106 1137656157 /nfs/dbraw/zinc/65/61/57/1137656157.db2.gz ANNRPKUDZOPRSF-AWEZNQCLSA-N 0 3 346.780 3.666 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000876641920 1137657884 /nfs/dbraw/zinc/65/78/84/1137657884.db2.gz QATICWMPNVQRJA-PELKAZGASA-N 0 3 335.662 3.683 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000876662977 1137658574 /nfs/dbraw/zinc/65/85/74/1137658574.db2.gz UUYGOZTYIBSDRM-NWDGAFQWSA-N 0 3 333.646 3.567 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000876705279 1137659495 /nfs/dbraw/zinc/65/94/95/1137659495.db2.gz XOEKKJKJDWHQNV-YMTOWFKASA-N 0 3 347.673 3.909 20 30 EHEDHN C#CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877119336 1137670731 /nfs/dbraw/zinc/67/07/31/1137670731.db2.gz DYPKNWKTYHJXND-JOCHJYFZSA-N 0 3 334.463 3.502 20 30 EHEDHN Cn1cc(CN2CC[C@](C)(C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000877811948 1137690787 /nfs/dbraw/zinc/69/07/87/1137690787.db2.gz CVNXGZGWMQURMB-KRWDZBQOSA-N 0 3 348.372 3.733 20 30 EHEDHN CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@H]1C#N ZINC000879311788 1137743984 /nfs/dbraw/zinc/74/39/84/1137743984.db2.gz VOQZLNDRHZAWJB-DLBZAZTESA-N 0 3 335.492 3.648 20 30 EHEDHN C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1ccnn1C ZINC000879687974 1137755378 /nfs/dbraw/zinc/75/53/78/1137755378.db2.gz ZLCCRMNEKIDZSV-SFHVURJKSA-N 0 3 344.462 3.971 20 30 EHEDHN C#CCC1(O)CCN([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000880481002 1137779816 /nfs/dbraw/zinc/77/98/16/1137779816.db2.gz KJFOEPYRWUJUOQ-KRWDZBQOSA-N 0 3 348.284 3.677 20 30 EHEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCC[C@]12CCCO2 ZINC000880512899 1137780380 /nfs/dbraw/zinc/78/03/80/1137780380.db2.gz UPMDDHHAXNMGSM-MJGOQNOKSA-N 0 3 346.496 3.595 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000129403558 1137819937 /nfs/dbraw/zinc/81/99/37/1137819937.db2.gz QXVCHROTNLDUTO-FQEVSTJZSA-N 0 3 344.414 3.910 20 30 EHEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN(C)Cc1ccc(C)cc1 ZINC000131015699 1137845156 /nfs/dbraw/zinc/84/51/56/1137845156.db2.gz WCVYWHCPMMFMGF-UHFFFAOYSA-N 0 3 331.423 3.523 20 30 EHEDHN C=CCC[C@@H](NCc1cc(-c2ccccc2OC)no1)[C@@H]1CCCO1 ZINC000883237338 1137849985 /nfs/dbraw/zinc/84/99/85/1137849985.db2.gz YTBQGVZHOLSYIM-XLIONFOSSA-N 0 3 342.439 3.954 20 30 EHEDHN C=CCC[C@@H](NCc1nc(-c2ccncc2)cs1)[C@@H]1CCCO1 ZINC000883244003 1137850314 /nfs/dbraw/zinc/85/03/14/1137850314.db2.gz CIVJUBKLOVXIIX-WBVHZDCISA-N 0 3 329.469 3.809 20 30 EHEDHN C#Cc1ccc(CN[C@H]2CC3(CCOCC3)Oc3ccccc32)cc1 ZINC000883392537 1137859292 /nfs/dbraw/zinc/85/92/92/1137859292.db2.gz JWXBBVSFFXFFPM-FQEVSTJZSA-N 0 3 333.431 3.831 20 30 EHEDHN COc1ccc(CN[C@H](CN(C)C)c2ccc(Cl)cc2)cc1C#N ZINC000282839676 1137872329 /nfs/dbraw/zinc/87/23/29/1137872329.db2.gz OSWMTIBZVNSYKI-GOSISDBHSA-N 0 3 343.858 3.613 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2F)C2CC2)CC1 ZINC000106340621 1137883313 /nfs/dbraw/zinc/88/33/13/1137883313.db2.gz FSEZDKDAPJEDCE-UHFFFAOYSA-N 0 3 345.462 3.540 20 30 EHEDHN Cc1cc(CN2CCC(NC(=O)CC3CCCC3)CC2)ccc1C#N ZINC000331960211 1137926942 /nfs/dbraw/zinc/92/69/42/1137926942.db2.gz SJKZLYRUBTVTSC-UHFFFAOYSA-N 0 3 339.483 3.528 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000118393377 1137933543 /nfs/dbraw/zinc/93/35/43/1137933543.db2.gz OODOUKGYDBYDHF-CQSZACIVSA-N 0 3 329.444 3.608 20 30 EHEDHN C=CCCC[C@@H](C(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1 ZINC000884244153 1137936862 /nfs/dbraw/zinc/93/68/62/1137936862.db2.gz ZAYHFTIATHEJFH-LJQANCHMSA-N 0 3 335.451 3.806 20 30 EHEDHN CCCCCC[C@@H](CC)CN(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884417294 1137959552 /nfs/dbraw/zinc/95/95/52/1137959552.db2.gz CUZWNLFCASBLDZ-BOHSKOPMSA-N 0 3 333.520 3.581 20 30 EHEDHN COC(=O)c1cncc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000886614025 1138102066 /nfs/dbraw/zinc/10/20/66/1138102066.db2.gz LJMXFSNGEUSTRL-BEFAXECRSA-N 0 3 337.423 3.954 20 30 EHEDHN C=CCC1(O)CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000886778515 1138139251 /nfs/dbraw/zinc/13/92/51/1138139251.db2.gz FBEZITNDHRAQFE-UHFFFAOYSA-N 0 3 331.456 3.545 20 30 EHEDHN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCCSCC#N ZINC000080627482 1138163598 /nfs/dbraw/zinc/16/35/98/1138163598.db2.gz OKEBRJUBGJYTPB-UHFFFAOYSA-N 0 3 342.512 3.876 20 30 EHEDHN CC(C)CCN(CCC#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000264101694 1138418782 /nfs/dbraw/zinc/41/87/82/1138418782.db2.gz UFORMUYRQGBRBF-UHFFFAOYSA-N 0 3 327.472 3.684 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3ccccc3C)C2)CC1 ZINC000264385795 1138496776 /nfs/dbraw/zinc/49/67/76/1138496776.db2.gz MOMNSTOPNAPIDV-SFHVURJKSA-N 0 3 341.499 3.534 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000264418775 1138507714 /nfs/dbraw/zinc/50/77/14/1138507714.db2.gz SRJBIOAZQJEZFP-UHFFFAOYSA-N 0 3 331.460 3.636 20 30 EHEDHN CC[C@@H](CNC(=O)Nc1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000337340328 1138538343 /nfs/dbraw/zinc/53/83/43/1138538343.db2.gz GYMWARKMUDWVJY-FQEVSTJZSA-N 0 3 348.450 3.517 20 30 EHEDHN CN(c1ccccc1)C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264559244 1138558346 /nfs/dbraw/zinc/55/83/46/1138558346.db2.gz NWWVZPJYHCDJMT-UHFFFAOYSA-N 0 3 335.451 3.690 20 30 EHEDHN C#CCOc1ccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000264941628 1138681076 /nfs/dbraw/zinc/68/10/76/1138681076.db2.gz GKOOKHHXYGMDCM-QGZVFWFLSA-N 0 3 348.446 3.676 20 30 EHEDHN CCc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1C(C)(C)C ZINC000338186709 1138779726 /nfs/dbraw/zinc/77/97/26/1138779726.db2.gz AHZWPPFHSKZAAJ-CYBMUJFWSA-N 0 3 349.438 3.577 20 30 EHEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000150892866 1138991028 /nfs/dbraw/zinc/99/10/28/1138991028.db2.gz JHJHUIAGPNMBAA-OAHLLOKOSA-N 0 3 331.460 3.650 20 30 EHEDHN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(C#N)cc3)ccc2NC1=O ZINC000174139690 1139401355 /nfs/dbraw/zinc/40/13/55/1139401355.db2.gz XSPDKOPWONIROB-ACJLOTCBSA-N 0 3 335.407 3.519 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)CC1 ZINC000174777051 1139441308 /nfs/dbraw/zinc/44/13/08/1139441308.db2.gz WMWAYTFHUNIEAH-QAPCUYQASA-N 0 3 345.487 3.721 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000175971069 1139532258 /nfs/dbraw/zinc/53/22/58/1139532258.db2.gz AZQQMJHDTJTDJE-UHFFFAOYSA-N 0 3 342.468 3.524 20 30 EHEDHN CC(C)[C@@H](NCc1ccc(C#N)s1)c1ccc2c(c1)OCCO2 ZINC000176942928 1139588705 /nfs/dbraw/zinc/58/87/05/1139588705.db2.gz AXAVUMSCLCCRIT-GOSISDBHSA-N 0 3 328.437 3.878 20 30 EHEDHN CN(CCC#N)c1ccc(CN2CCC(C(F)(F)F)CC2)cc1 ZINC000179964749 1139797196 /nfs/dbraw/zinc/79/71/96/1139797196.db2.gz VLGQXXPTUIEZIC-UHFFFAOYSA-N 0 3 325.378 3.811 20 30 EHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(F)cc1N(C)C ZINC000180554036 1139844636 /nfs/dbraw/zinc/84/46/36/1139844636.db2.gz IHQSEDQWNQSMLO-AWEZNQCLSA-N 0 3 327.403 3.645 20 30 EHEDHN CC(C)NC(=O)Nc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181544182 1139913803 /nfs/dbraw/zinc/91/38/03/1139913803.db2.gz SFILKEKLRJEVGB-OAHLLOKOSA-N 0 3 336.439 3.939 20 30 EHEDHN COc1ccc(F)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000183306612 1140028961 /nfs/dbraw/zinc/02/89/61/1140028961.db2.gz NZOOLBJSMPDKIO-UHFFFAOYSA-N 0 3 339.414 3.782 20 30 EHEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000185792931 1140170224 /nfs/dbraw/zinc/17/02/24/1140170224.db2.gz WAXAUFUAWCSEOT-QAPCUYQASA-N 0 3 334.423 3.506 20 30 EHEDHN COc1cc(CNCc2cc(C#N)n(C)c2)ccc1OCCC(C)C ZINC000190772777 1140417604 /nfs/dbraw/zinc/41/76/04/1140417604.db2.gz QTEZVJOJXSRZLW-UHFFFAOYSA-N 0 3 341.455 3.620 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271453919 1141370657 /nfs/dbraw/zinc/37/06/57/1141370657.db2.gz ISOPZEUPVXJJBO-LSDHHAIUSA-N 0 3 349.434 3.520 20 30 EHEDHN CCOC(=O)[C@@H]1CC[C@@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000283466234 1141632075 /nfs/dbraw/zinc/63/20/75/1141632075.db2.gz VWVNPGFOJSFBAL-WOJBJXKFSA-N 0 3 334.419 3.830 20 30 EHEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000537997313 1032089472 /nfs/dbraw/zinc/08/94/72/1032089472.db2.gz HAZXNZJCUCEKCL-IAGOWNOFSA-N 0 3 347.462 3.714 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000274699588 1014574635 /nfs/dbraw/zinc/57/46/35/1014574635.db2.gz NKRGVINMGMGLGJ-BEFAXECRSA-N 0 3 336.439 3.680 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000533513645 1015871706 /nfs/dbraw/zinc/87/17/06/1015871706.db2.gz MGWQPFXMFXLSAW-HNAYVOBHSA-N 0 3 330.447 3.846 20 30 EHEDHN CCCCCOc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1OC ZINC000905080955 1032333279 /nfs/dbraw/zinc/33/32/79/1032333279.db2.gz ORFVVPWGGSJWTA-OJNRTJSBSA-N 0 3 341.411 3.697 20 30 EHEDHN CCCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1OCC ZINC000905081769 1032335278 /nfs/dbraw/zinc/33/52/78/1032335278.db2.gz SIDFLPIRQVWGRE-QQFZQELXSA-N 0 3 341.411 3.697 20 30 EHEDHN C[C@@H](NCCCOc1cccc(C#N)c1)c1nc2c(s1)CCC2 ZINC000459628366 1032343515 /nfs/dbraw/zinc/34/35/15/1032343515.db2.gz CMSFSAAKFABFPU-CYBMUJFWSA-N 0 3 327.453 3.623 20 30 EHEDHN N#CC[C@@H]1CC[C@H](NCc2c(F)ccc(Br)c2F)C1 ZINC000449444805 1032560087 /nfs/dbraw/zinc/56/00/87/1032560087.db2.gz DOJYDIPVZCIZFD-UWVGGRQHSA-N 0 3 329.188 3.899 20 30 EHEDHN COc1cc(CNCc2ccc(-c3ccncc3)cc2)ccc1C#N ZINC000377116560 1017347491 /nfs/dbraw/zinc/34/74/91/1017347491.db2.gz VRDPAYKUZARSQG-UHFFFAOYSA-N 0 3 329.403 3.919 20 30 EHEDHN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]2CCCC[C@H]21 ZINC000541112449 1017501031 /nfs/dbraw/zinc/50/10/31/1017501031.db2.gz PXKMLLNHIQNPPF-ISTRZQFTSA-N 0 3 331.847 3.661 20 30 EHEDHN COC[C@H](NCCOc1ccccc1C#N)c1cccc(Cl)c1 ZINC000583529474 1017791568 /nfs/dbraw/zinc/79/15/68/1017791568.db2.gz MHRBJPMJCYVFLX-KRWDZBQOSA-N 0 3 330.815 3.568 20 30 EHEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)nc1 ZINC000683689148 1018020875 /nfs/dbraw/zinc/02/08/75/1018020875.db2.gz NOPIKWYADOMXEO-MRXNPFEDSA-N 0 3 331.375 3.907 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000048714370 1018258823 /nfs/dbraw/zinc/25/88/23/1018258823.db2.gz BTIPJNZXAYXDCE-CQSZACIVSA-N 0 3 334.423 3.693 20 30 EHEDHN COC(=O)C(C)(C)[C@@H](NCc1ccc(C#N)cc1C)c1ccccc1 ZINC000614407629 1018999428 /nfs/dbraw/zinc/99/94/28/1018999428.db2.gz UBQKQICMZAQPBC-IBGZPJMESA-N 0 3 336.435 3.897 20 30 EHEDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O)c1ccc(C#N)cc1 ZINC000278773892 1032893437 /nfs/dbraw/zinc/89/34/37/1032893437.db2.gz PJAUAIUROXVORT-LEWJYISDSA-N 0 3 347.462 3.709 20 30 EHEDHN C#CCN(Cc1ccc(OCC(F)(F)F)nc1)C1CCCCC1 ZINC001307445220 1020393407 /nfs/dbraw/zinc/39/34/07/1020393407.db2.gz WEJLNXAMBPFDLB-UHFFFAOYSA-N 0 3 326.362 3.791 20 30 EHEDHN COc1cccc(CNCc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000064613686 1020406301 /nfs/dbraw/zinc/40/63/01/1020406301.db2.gz AKZBWEMVTXLNSR-UHFFFAOYSA-N 0 3 340.423 3.676 20 30 EHEDHN COc1ccccc1OCCN[C@H](C)c1ccc(C#N)cc1Cl ZINC000581168996 1020496951 /nfs/dbraw/zinc/49/69/51/1020496951.db2.gz HLEGTPQLEZDOEQ-CYBMUJFWSA-N 0 3 330.815 3.950 20 30 EHEDHN O=C1C=COC2(CCN(Cc3ccc(CC(F)(F)F)cc3)CC2)C1 ZINC000897599528 1032906359 /nfs/dbraw/zinc/90/63/59/1032906359.db2.gz OQXPIJSILFRJJB-UHFFFAOYSA-N 0 3 339.357 3.629 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419458201 1020652444 /nfs/dbraw/zinc/65/24/44/1020652444.db2.gz YIPQEZSZWNIBTC-ZWKOTPCHSA-N 0 3 335.536 3.883 20 30 EHEDHN CC[C@@H](C)N[C@H](CNc1c(C#N)nnc2ccccc21)c1ccco1 ZINC000581599380 1021132250 /nfs/dbraw/zinc/13/22/50/1021132250.db2.gz DEMZQVAJYCVDGU-CXAGYDPISA-N 0 3 335.411 3.636 20 30 EHEDHN N#CCc1cccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000455938221 1032959712 /nfs/dbraw/zinc/95/97/12/1032959712.db2.gz FBBCPMSURHUXSZ-HXUWFJFHSA-N 0 3 348.450 3.711 20 30 EHEDHN CN(CCCOc1cccc(C#N)c1)C[C@@H]1OCCc2ccccc21 ZINC000477149790 1021203635 /nfs/dbraw/zinc/20/36/35/1021203635.db2.gz LWPOKOPLWRFKGE-NRFANRHFSA-N 0 3 336.435 3.573 20 30 EHEDHN C=CC[C@H](CC)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000439504180 1021511431 /nfs/dbraw/zinc/51/14/31/1021511431.db2.gz UITSRAFNSIIOEC-KRWDZBQOSA-N 0 3 347.528 3.754 20 30 EHEDHN C#C[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(Br)cc1 ZINC000894869776 1021541696 /nfs/dbraw/zinc/54/16/96/1021541696.db2.gz DJYOCHHRRLRFQS-JKSUJKDBSA-N 0 3 334.257 3.815 20 30 EHEDHN CC[C@H]1CN(C)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000581764400 1021727479 /nfs/dbraw/zinc/72/74/79/1021727479.db2.gz KSLYHFRRXQIPPD-QFIPXVFZSA-N 0 3 347.506 3.912 20 30 EHEDHN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1CCCC1 ZINC000519905059 1021770934 /nfs/dbraw/zinc/77/09/34/1021770934.db2.gz QLZSCDUTHCJCFE-UHFFFAOYSA-N 0 3 333.863 3.709 20 30 EHEDHN N#Cc1ncccc1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519042111 1021797900 /nfs/dbraw/zinc/79/79/00/1021797900.db2.gz XBRDOFHOCHZNOO-OAHLLOKOSA-N 0 3 346.356 3.658 20 30 EHEDHN N#Cc1ccc(CN(Cc2ccccc2)[C@H](CO)C2CCC2)s1 ZINC000592520466 1033016446 /nfs/dbraw/zinc/01/64/46/1033016446.db2.gz OWMPRPHQZHGHAY-LJQANCHMSA-N 0 3 326.465 3.783 20 30 EHEDHN N#Cc1cccc(CN[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)n1 ZINC000602640833 1033030837 /nfs/dbraw/zinc/03/08/37/1033030837.db2.gz DTLXLYPLXIDAPX-HNNXBMFYSA-N 0 3 347.249 3.629 20 30 EHEDHN N#CC1(c2ccccn2)CCN(Cc2cccc3ncccc23)CC1 ZINC000602649964 1033040543 /nfs/dbraw/zinc/04/05/43/1033040543.db2.gz BZAQREGBQNDZPN-UHFFFAOYSA-N 0 3 328.419 3.687 20 30 EHEDHN C#C[C@H](NCc1ccc(Br)cc1NC(C)=O)C(C)(C)C ZINC000894517970 1022454727 /nfs/dbraw/zinc/45/47/27/1022454727.db2.gz SYPKMEGOBIJPLK-HNNXBMFYSA-N 0 3 337.261 3.545 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000517582043 1022471825 /nfs/dbraw/zinc/47/18/25/1022471825.db2.gz ALWBGJOEZVAEBV-IAGOWNOFSA-N 0 3 332.488 3.938 20 30 EHEDHN Cc1ccc(F)c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000506279218 1022792059 /nfs/dbraw/zinc/79/20/59/1022792059.db2.gz DIRZUOYEKNZIJG-UHFFFAOYSA-N 0 3 337.442 3.714 20 30 EHEDHN C=C(CNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1)c1ccccc1 ZINC000509572748 1023070536 /nfs/dbraw/zinc/07/05/36/1023070536.db2.gz VSDREWOILYHVRP-AEFFLSMTSA-N 0 3 341.455 3.721 20 30 EHEDHN COCCN(Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000507159968 1023153983 /nfs/dbraw/zinc/15/39/83/1023153983.db2.gz KBPLWEKGXMGIGE-UHFFFAOYSA-N 0 3 336.435 3.748 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]3CCC[C@H]32)c1 ZINC000441484571 1023169110 /nfs/dbraw/zinc/16/91/10/1023169110.db2.gz JTFSJKPQZWETCB-UYAOXDASSA-N 0 3 339.483 3.815 20 30 EHEDHN COc1cccc([C@H](C)N2CCN(CC(C)(C)CCC#N)CC2)c1 ZINC000093078818 1023450388 /nfs/dbraw/zinc/45/03/88/1023450388.db2.gz HMQDGSJQPYCZNP-KRWDZBQOSA-N 0 3 329.488 3.704 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000255414776 1023499496 /nfs/dbraw/zinc/49/94/96/1023499496.db2.gz AYUHJYQVVQZRMU-GFIJVFARSA-N 0 3 330.403 3.530 20 30 EHEDHN C=CCC[C@H](NCC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000341923843 1023699941 /nfs/dbraw/zinc/69/99/41/1023699941.db2.gz DQWIFUZMKDHYJK-NRFANRHFSA-N 0 3 334.463 3.868 20 30 EHEDHN CCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCC1 ZINC000341999801 1023750658 /nfs/dbraw/zinc/75/06/58/1023750658.db2.gz VJLBROHSKAKVNS-UHFFFAOYSA-N 0 3 333.863 3.851 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)CC1 ZINC000458326740 1023939422 /nfs/dbraw/zinc/93/94/22/1023939422.db2.gz VIQAQLYCOFDKMC-SFHVURJKSA-N 0 3 333.520 3.637 20 30 EHEDHN N#CC(C(=O)Nc1cc(F)cc(F)c1)c1nc2ccccc2s1 ZINC000505432086 1024154955 /nfs/dbraw/zinc/15/49/55/1024154955.db2.gz DTYGIGNHRAPYLZ-GFCCVEGCSA-N 0 3 329.331 3.820 20 30 EHEDHN N#CC1(NC(=O)CNC2(c3ccc(F)cc3)CCCC2)CCCCC1 ZINC000170970563 1024157825 /nfs/dbraw/zinc/15/78/25/1024157825.db2.gz XEHQTPOWEUINSC-UHFFFAOYSA-N 0 3 343.446 3.527 20 30 EHEDHN N#CC(C(=O)C=Cc1cccnc1)c1nc2ccccc2n1C(F)F ZINC000178987698 1024269719 /nfs/dbraw/zinc/26/97/19/1024269719.db2.gz GMKNRYGFQWLBCA-SBDDDAINSA-N 0 3 338.317 3.716 20 30 EHEDHN O=C(C[C@@H]1C=CCCC1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000330235047 1024366139 /nfs/dbraw/zinc/36/61/39/1024366139.db2.gz SZZRQQNOYPXMLC-MRXNPFEDSA-N 0 3 328.456 3.978 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccc(C)cc2)CC1 ZINC000520693580 1024438597 /nfs/dbraw/zinc/43/85/97/1024438597.db2.gz FWQSOUCSPAYECV-UHFFFAOYSA-N 0 3 329.488 3.567 20 30 EHEDHN C[C@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000346151827 1024453611 /nfs/dbraw/zinc/45/36/11/1024453611.db2.gz ZRJHNMNCFVRZEX-ZDUSSCGKSA-N 0 3 338.361 3.873 20 30 EHEDHN N#Cc1ccnc(NCC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000342224858 1024462291 /nfs/dbraw/zinc/46/22/91/1024462291.db2.gz NUFAODCVIIBBPD-UHFFFAOYSA-N 0 3 340.858 3.931 20 30 EHEDHN C=CCC[C@H](NCC(=O)NC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000342229728 1024483095 /nfs/dbraw/zinc/48/30/95/1024483095.db2.gz UWBHKXLSXMOSSI-HNNXBMFYSA-N 0 3 328.378 3.827 20 30 EHEDHN CC(C)N(CCCCCO)Cc1ccc(Br)cc1C#N ZINC001141816613 1024600444 /nfs/dbraw/zinc/60/04/44/1024600444.db2.gz DRIYFHHJIVTULS-UHFFFAOYSA-N 0 3 339.277 3.694 20 30 EHEDHN CCN(CC)C(=O)C1(NCc2ccc(C)c(C#N)c2)CCCCC1 ZINC001168008724 1024628043 /nfs/dbraw/zinc/62/80/43/1024628043.db2.gz LEVPTYUFEWQPQF-UHFFFAOYSA-N 0 3 327.472 3.528 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCCCCC2)c1 ZINC000025408289 1024857757 /nfs/dbraw/zinc/85/77/57/1024857757.db2.gz VPFCIGMTYSYVAJ-SFHVURJKSA-N 0 3 327.472 3.815 20 30 EHEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCOc1cccc(C#N)c1 ZINC000157539618 1024947182 /nfs/dbraw/zinc/94/71/82/1024947182.db2.gz LLCCDCFHIKDUQX-AWEZNQCLSA-N 0 3 326.444 3.548 20 30 EHEDHN N#Cc1ccccc1NC1CCN(CCc2noc3ccccc23)CC1 ZINC000602901942 1033252458 /nfs/dbraw/zinc/25/24/58/1033252458.db2.gz RZQJMOBLKPPXJO-UHFFFAOYSA-N 0 3 346.434 3.818 20 30 EHEDHN COc1cc(CNC2(c3cccc(F)c3)CCOCC2)ccc1C#N ZINC000281685443 1025369728 /nfs/dbraw/zinc/36/97/28/1025369728.db2.gz MQACCMCSHQZXFA-UHFFFAOYSA-N 0 3 340.398 3.501 20 30 EHEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2Cc2cc(C#N)ccc2F)C1 ZINC000439012961 1025412117 /nfs/dbraw/zinc/41/21/17/1025412117.db2.gz VRPPNENONBDYAY-FPWFTKFVSA-N 0 3 330.447 3.849 20 30 EHEDHN C[C@@H]1c2ccsc2CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000321181144 1025456279 /nfs/dbraw/zinc/45/62/79/1025456279.db2.gz SRAGBRAZSUCFPM-CYBMUJFWSA-N 0 3 325.437 3.568 20 30 EHEDHN Cc1ccc(Cl)cc1N1CC[C@@H](CNC[C@H](C#N)CCC#N)C1 ZINC000521613131 1025525518 /nfs/dbraw/zinc/52/55/18/1025525518.db2.gz SCGLXZDUMRIKEE-HOTGVXAUSA-N 0 3 330.863 3.508 20 30 EHEDHN C=CCOc1ccc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)cc1 ZINC000442999429 1025640067 /nfs/dbraw/zinc/64/00/67/1025640067.db2.gz GSCYXMXCPYDSNX-HXUWFJFHSA-N 0 3 342.483 3.665 20 30 EHEDHN Cc1cc(C)cc(OC[C@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425533349 1025661813 /nfs/dbraw/zinc/66/18/13/1025661813.db2.gz DMMGPUUZQWVWPV-YLJYHZDGSA-N 0 3 338.451 3.608 20 30 EHEDHN O=C(C[C@@H]1CCCC[C@H]1O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000329219779 1025674001 /nfs/dbraw/zinc/67/40/01/1025674001.db2.gz SSYWXTFKPWBHAL-SLFFLAALSA-N 0 3 344.499 3.939 20 30 EHEDHN COc1ccc(Cl)cc1CN(C)CCCC1(C#N)CCOCC1 ZINC000281946711 1025762479 /nfs/dbraw/zinc/76/24/79/1025762479.db2.gz JISZLXCAQWGXCK-UHFFFAOYSA-N 0 3 336.863 3.881 20 30 EHEDHN CC(C)[C@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000582315481 1025818229 /nfs/dbraw/zinc/81/82/29/1025818229.db2.gz SEFLPOCJBXZAAG-HXUWFJFHSA-N 0 3 326.415 3.716 20 30 EHEDHN CC1(C)[C@H](NCc2ccc(Br)cc2C#N)[C@@H]2CCCO[C@H]21 ZINC000451483233 1026024823 /nfs/dbraw/zinc/02/48/23/1026024823.db2.gz XOLIZBVFIRAFTL-ARFHVFGLSA-N 0 3 349.272 3.614 20 30 EHEDHN N#Cc1ccc(OC[C@@H](O)CN2CCCCC[C@H]2c2ccco2)cc1 ZINC000121275004 1026587317 /nfs/dbraw/zinc/58/73/17/1026587317.db2.gz JTTRZUTVDOQZAS-HKUYNNGSSA-N 0 3 340.423 3.508 20 30 EHEDHN COCCCC[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342851016 1027656922 /nfs/dbraw/zinc/65/69/22/1027656922.db2.gz ZPTNWMBESOMSGY-HXUWFJFHSA-N 0 3 348.450 3.854 20 30 EHEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc2c(c1)OCO2 ZINC000237334689 1027657269 /nfs/dbraw/zinc/65/72/69/1027657269.db2.gz YOHYXWLCIWCADU-OAHLLOKOSA-N 0 3 338.407 3.949 20 30 EHEDHN N#Cc1cccc(OC2CCN(CCOCC3CCCC3)CC2)c1 ZINC000459349401 1027786179 /nfs/dbraw/zinc/78/61/79/1027786179.db2.gz ZYZPGEFFXJCHMD-UHFFFAOYSA-N 0 3 328.456 3.608 20 30 EHEDHN N#Cc1ccccc1NC(=O)CCN[C@H](CC(F)F)c1ccccc1 ZINC000420992143 1027970366 /nfs/dbraw/zinc/97/03/66/1027970366.db2.gz KDTMYOGUHSHRJF-QGZVFWFLSA-N 0 3 343.377 3.873 20 30 EHEDHN COc1cc(CNCCOCc2ccc(Cl)cc2)ccc1C#N ZINC000440618847 1028428314 /nfs/dbraw/zinc/42/83/14/1028428314.db2.gz WRXPGFSSZGQSCA-UHFFFAOYSA-N 0 3 330.815 3.527 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](C(C)(C)C)c3ccccc32)CC1 ZINC000445089317 1028530447 /nfs/dbraw/zinc/53/04/47/1028530447.db2.gz HHQGWAKQXOPEQH-SFHVURJKSA-N 0 3 341.499 3.996 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000424068059 1028773548 /nfs/dbraw/zinc/77/35/48/1028773548.db2.gz YDLZOGRBAABEBZ-SFTDATJTSA-N 0 3 349.478 3.888 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000424113672 1028811011 /nfs/dbraw/zinc/81/10/11/1028811011.db2.gz NYQRMWPBLVWJLH-MRXNPFEDSA-N 0 3 333.863 3.637 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183690155 1029107023 /nfs/dbraw/zinc/10/70/23/1029107023.db2.gz MWDFUZPYWGLVRE-OAHLLOKOSA-N 0 3 346.434 3.912 20 30 EHEDHN COC(=O)c1cccc(CN2CCC[C@H]2Cc2ccccc2)c1C#N ZINC000535978141 1029451952 /nfs/dbraw/zinc/45/19/52/1029451952.db2.gz MXQBSDXBGPPCEQ-SFHVURJKSA-N 0 3 334.419 3.552 20 30 EHEDHN CCCNC(=O)c1cccc(CN[C@H](CC)c2ccc(C#N)cc2)c1 ZINC000278178585 1029530213 /nfs/dbraw/zinc/53/02/13/1029530213.db2.gz DEOKHGYDQMLGSH-HXUWFJFHSA-N 0 3 335.451 3.939 20 30 EHEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271870650 1029801896 /nfs/dbraw/zinc/80/18/96/1029801896.db2.gz WFFHCEOHQXUOMG-CQSZACIVSA-N 0 3 338.838 3.561 20 30 EHEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271870647 1029802291 /nfs/dbraw/zinc/80/22/91/1029802291.db2.gz WFFHCEOHQXUOMG-AWEZNQCLSA-N 0 3 338.838 3.561 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2sc(C3CCCC3)nc2C)CC1 ZINC000080079812 1029818914 /nfs/dbraw/zinc/81/89/14/1029818914.db2.gz CQFVJJHPAVWSAF-UHFFFAOYSA-N 0 3 347.528 3.879 20 30 EHEDHN CC[C@@H](CN(CC)CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000481734499 1029893551 /nfs/dbraw/zinc/89/35/51/1029893551.db2.gz KTYWGLGGOCVCMO-SFHVURJKSA-N 0 3 341.499 3.845 20 30 EHEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCCC[C@H]1O ZINC000245544031 1030142371 /nfs/dbraw/zinc/14/23/71/1030142371.db2.gz LAHSEIFBQGFTGE-NVXWUHKLSA-N 0 3 325.374 3.540 20 30 EHEDHN CC[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(C#N)cc1 ZINC000447581395 1030346344 /nfs/dbraw/zinc/34/63/44/1030346344.db2.gz UJRZDBCMRWDEKW-MSOLQXFVSA-N 0 3 337.398 3.544 20 30 EHEDHN COc1cc(CN2CCC3(CC2)OCCc2ccccc23)ccc1C#N ZINC000453573818 1030360919 /nfs/dbraw/zinc/36/09/19/1030360919.db2.gz IEILPQDYSFOFFB-UHFFFAOYSA-N 0 3 348.446 3.631 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447777352 1030477408 /nfs/dbraw/zinc/47/74/08/1030477408.db2.gz LYLSMGCCBMRNTL-LJQANCHMSA-N 0 3 341.499 3.996 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000122478809 1030651754 /nfs/dbraw/zinc/65/17/54/1030651754.db2.gz PDEJHMFXPLRODC-UHFFFAOYSA-N 0 3 342.386 3.582 20 30 EHEDHN COc1cccc([C@H](CNc2nccc(C)c2C#N)N2CCCC2)c1 ZINC000343446890 1030928269 /nfs/dbraw/zinc/92/82/69/1030928269.db2.gz YNOQIAILKXDPQV-IBGZPJMESA-N 0 3 336.439 3.519 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccco1 ZINC000116404677 1031153694 /nfs/dbraw/zinc/15/36/94/1031153694.db2.gz AJMZXCVSCDOPBZ-QZTJIDSGSA-N 0 3 327.424 3.585 20 30 EHEDHN CC(C)(C#N)CCCN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000174832864 1031284067 /nfs/dbraw/zinc/28/40/67/1031284067.db2.gz KQVISHKQABJBGL-UHFFFAOYSA-N 0 3 347.890 3.818 20 30 EHEDHN N#Cc1ccc(OCCN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000477486014 1031589976 /nfs/dbraw/zinc/58/99/76/1031589976.db2.gz ANHLAOWGJKPFJT-SFHVURJKSA-N 0 3 336.391 3.503 20 30 EHEDHN CC(C)(C)OC(=O)CCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000343716807 1032051692 /nfs/dbraw/zinc/05/16/92/1032051692.db2.gz BTXCUHDMDVOMPE-UHFFFAOYSA-N 0 3 326.440 3.769 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000594430856 1033368176 /nfs/dbraw/zinc/36/81/76/1033368176.db2.gz CAXMXXFNZCCFSZ-LJQANCHMSA-N 0 3 333.435 3.654 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000594433754 1033371113 /nfs/dbraw/zinc/37/11/13/1033371113.db2.gz SBFWHRIAVWKRHP-OAHLLOKOSA-N 0 3 339.443 3.501 20 30 EHEDHN Cc1cccc(-c2ccc(CNC(=O)[C@H](N)CCCCC#N)cc2)c1 ZINC000594446143 1033378856 /nfs/dbraw/zinc/37/88/56/1033378856.db2.gz QRLKCMUTDKKHKH-HXUWFJFHSA-N 0 3 335.451 3.690 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000594446655 1033379524 /nfs/dbraw/zinc/37/95/24/1033379524.db2.gz VXJAIQVYVFSEGX-MRXNPFEDSA-N 0 3 347.422 3.580 20 30 EHEDHN C[S@](=O)Cc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594506474 1033406354 /nfs/dbraw/zinc/40/63/54/1033406354.db2.gz SSCVXOOHGOETIJ-DEOSSOPVSA-N 0 3 340.492 3.656 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000594937441 1033585637 /nfs/dbraw/zinc/58/56/37/1033585637.db2.gz ISJKODBODNVNIK-CTNGQTDRSA-N 0 3 334.419 3.503 20 30 EHEDHN C=CCC1(NCc2ncc(I)s2)CCCC1 ZINC000594987885 1033621044 /nfs/dbraw/zinc/62/10/44/1033621044.db2.gz MGENBSWJCMZZAE-UHFFFAOYSA-N 0 3 348.253 3.726 20 30 EHEDHN C=CCOCCCN[C@@H](C)c1ccccc1I ZINC000595079784 1033695773 /nfs/dbraw/zinc/69/57/73/1033695773.db2.gz YRDJOQPBMYBGDP-LBPRGKRZSA-N 0 3 345.224 3.535 20 30 EHEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)Cc1ccccc1-c1ccccc1 ZINC000101560387 1033792541 /nfs/dbraw/zinc/79/25/41/1033792541.db2.gz XOTPPWHPWXFLFQ-KRWDZBQOSA-N 0 3 335.451 3.546 20 30 EHEDHN N#Cc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)ccc1Cl ZINC000593016439 1033814843 /nfs/dbraw/zinc/81/48/43/1033814843.db2.gz PRXBMAOETKONPP-RYUDHWBXSA-N 0 3 346.736 3.898 20 30 EHEDHN C=CCC1(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCCC1 ZINC000450193524 1033872564 /nfs/dbraw/zinc/87/25/64/1033872564.db2.gz NTFAQOFFIBFENH-KRWDZBQOSA-N 0 3 341.499 3.860 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595601313 1033915335 /nfs/dbraw/zinc/91/53/35/1033915335.db2.gz ATWGPSVLCYCPSR-CZUORRHYSA-N 0 3 342.399 3.869 20 30 EHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595602184 1033916045 /nfs/dbraw/zinc/91/60/45/1033916045.db2.gz HHMLUXBIMCWHTG-BBRMVZONSA-N 0 3 342.399 3.869 20 30 EHEDHN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCC[C@H](CC#N)C1 ZINC000595610366 1033921340 /nfs/dbraw/zinc/92/13/40/1033921340.db2.gz XBYQTDUIYPOQRE-MJGOQNOKSA-N 0 3 344.499 3.658 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1OC ZINC000647371050 1034056854 /nfs/dbraw/zinc/05/68/54/1034056854.db2.gz JDMASZIHRDWXIE-GFCCVEGCSA-N 0 3 328.393 3.528 20 30 EHEDHN C=CCN1CCC(NC(=O)/C=C/c2ccccc2O[C@H](C)CC)CC1 ZINC000171716223 1034582462 /nfs/dbraw/zinc/58/24/62/1034582462.db2.gz AJLFKPNQYGRHDC-SXSDINLZSA-N 0 3 342.483 3.644 20 30 EHEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)CC1=CCSC1 ZINC000597243956 1034623168 /nfs/dbraw/zinc/62/31/68/1034623168.db2.gz JLWHHIKIEIFZOO-UHFFFAOYSA-N 0 3 338.480 3.569 20 30 EHEDHN CC(C)c1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931151 1034953884 /nfs/dbraw/zinc/95/38/84/1034953884.db2.gz XPJSUBJOIRXFNP-UHFFFAOYSA-N 0 3 349.478 3.886 20 30 EHEDHN Cc1nn(C(C)(C)C)c(C)c1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000613286931 1035495746 /nfs/dbraw/zinc/49/57/46/1035495746.db2.gz OISMMEWEYPFQFA-CQSZACIVSA-N 0 3 349.438 3.632 20 30 EHEDHN COc1ccc2[nH]cc(CC(=O)C(C#N)c3nc4ccccc4o3)c2c1 ZINC000066516810 1035563420 /nfs/dbraw/zinc/56/34/20/1035563420.db2.gz GWFVYZPOPUBXGG-OAHLLOKOSA-N 0 3 345.358 3.737 20 30 EHEDHN N#CCCCCCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000588155004 1035730697 /nfs/dbraw/zinc/73/06/97/1035730697.db2.gz XTINMBOPWTWUJW-UHFFFAOYSA-N 0 3 345.512 3.690 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2cccc([C@H]3CCCOC3)c2)n1 ZINC000535042658 1035925627 /nfs/dbraw/zinc/92/56/27/1035925627.db2.gz VSYFVJWXDUBFBD-JKSUJKDBSA-N 0 3 326.421 3.836 20 30 EHEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000156814380 1035963377 /nfs/dbraw/zinc/96/33/77/1035963377.db2.gz AIKGIHSOSRUNQC-HIFRSBDPSA-N 0 3 341.461 4.000 20 30 EHEDHN N#Cc1cccc(OCCN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000170650831 1036059702 /nfs/dbraw/zinc/05/97/02/1036059702.db2.gz CXINSQDDJQPDAF-UHFFFAOYSA-N 0 3 339.414 3.653 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C(C)(C)C)C1 ZINC000541390901 1036249909 /nfs/dbraw/zinc/24/99/09/1036249909.db2.gz UYWANYXXTAHJIV-HZPDHXFCSA-N 0 3 345.462 3.829 20 30 EHEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000152383111 1036488814 /nfs/dbraw/zinc/48/88/14/1036488814.db2.gz CHZGSKNIWTVLAV-GRDNDAEWSA-N 0 3 330.428 3.663 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000171560346 1036798494 /nfs/dbraw/zinc/79/84/94/1036798494.db2.gz BQPOQGAHLYOWHS-IBGZPJMESA-N 0 3 345.462 3.713 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOCc1ccccc1 ZINC000127630431 1036875272 /nfs/dbraw/zinc/87/52/72/1036875272.db2.gz NPYQKGFPBBGNQL-KRWDZBQOSA-N 0 3 347.418 3.747 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000464897160 1036964830 /nfs/dbraw/zinc/96/48/30/1036964830.db2.gz SJLYYGVWQFJBKP-GBESFXJTSA-N 0 3 339.483 3.671 20 30 EHEDHN CC[C@@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)N(C)C ZINC000542059502 1037020573 /nfs/dbraw/zinc/02/05/73/1037020573.db2.gz NUHUCSNLXRYJJJ-YWZLYKJASA-N 0 3 335.451 3.743 20 30 EHEDHN N#CC(C(=O)c1cc2c(s1)CCOC2)c1ccc2ccccc2n1 ZINC000590880741 1037113963 /nfs/dbraw/zinc/11/39/63/1037113963.db2.gz PJZZLCNWEBRPHX-AWEZNQCLSA-N 0 3 334.400 3.859 20 30 EHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cnn(Cc2ccccc2)c1 ZINC000181154948 1037443303 /nfs/dbraw/zinc/44/33/03/1037443303.db2.gz VOUNLBLHPGDXQE-QGZVFWFLSA-N 0 3 346.434 3.533 20 30 EHEDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C#N)c1 ZINC000271860996 1037516974 /nfs/dbraw/zinc/51/69/74/1037516974.db2.gz KJBVSKMLXPWQQQ-QGZVFWFLSA-N 0 3 349.478 3.618 20 30 EHEDHN C#C[C@@H](NC1CCN(Cc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000491656037 1037608170 /nfs/dbraw/zinc/60/81/70/1037608170.db2.gz CZEVIXSSGDXFTA-HXUWFJFHSA-N 0 3 339.870 3.664 20 30 EHEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463103066 1037773609 /nfs/dbraw/zinc/77/36/09/1037773609.db2.gz HEYGFLIIZLIVIF-FDFHNCONSA-N 0 3 331.463 3.673 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC1CCCC1 ZINC000463124435 1037777701 /nfs/dbraw/zinc/77/77/01/1037777701.db2.gz SWTDCNJAUCQSIO-UHFFFAOYSA-N 0 3 341.499 3.809 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000271931743 1037815783 /nfs/dbraw/zinc/81/57/83/1037815783.db2.gz IKADILTURGQKDV-STQMWFEESA-N 0 3 337.398 3.628 20 30 EHEDHN COc1cc(C#N)ccc1OCCNC1(c2cccc(Cl)c2)CC1 ZINC000540413566 1037940300 /nfs/dbraw/zinc/94/03/00/1037940300.db2.gz ACESGFWNGMDKDS-UHFFFAOYSA-N 0 3 342.826 3.878 20 30 EHEDHN CC(C)(CCC#N)CN1CCN(CCOc2ccccc2Cl)CC1 ZINC000123690827 1038055904 /nfs/dbraw/zinc/05/59/04/1038055904.db2.gz QQQDCEVPBVFVMY-UHFFFAOYSA-N 0 3 349.906 3.666 20 30 EHEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000181868008 1038499829 /nfs/dbraw/zinc/49/98/29/1038499829.db2.gz FBFJWTDARGQSBJ-OAHLLOKOSA-N 0 3 348.516 3.885 20 30 EHEDHN N#Cc1ccccc1OCCN1CCC(OCc2ccccc2)CC1 ZINC000345210941 1038972954 /nfs/dbraw/zinc/97/29/54/1038972954.db2.gz NGAMPSPFFSPIJU-UHFFFAOYSA-N 0 3 336.435 3.618 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCCC(F)(F)C2)CC1 ZINC000488803937 1039406567 /nfs/dbraw/zinc/40/65/67/1039406567.db2.gz ZGTATZRBVSOZCV-HNNXBMFYSA-N 0 3 343.462 3.542 20 30 EHEDHN COC1(CNCC#Cc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000480389308 1039496098 /nfs/dbraw/zinc/49/60/98/1039496098.db2.gz YFCZOEUXTNTWDT-UHFFFAOYSA-N 0 3 325.374 3.996 20 30 EHEDHN C=C[C@@H](CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1 ZINC000554640034 1039547139 /nfs/dbraw/zinc/54/71/39/1039547139.db2.gz GZTVIHHSGYVGSZ-JXFKEZNVSA-N 0 3 340.442 3.905 20 30 EHEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC001127053465 1039627761 /nfs/dbraw/zinc/62/77/61/1039627761.db2.gz HTHJPCLVCFTBTP-LJQANCHMSA-N 0 3 326.484 3.856 20 30 EHEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C(=O)N(C)C)cc1 ZINC000417370640 1039742128 /nfs/dbraw/zinc/74/21/28/1039742128.db2.gz SMRMEYIETRRYIM-BTYIYWSLSA-N 0 3 347.462 3.988 20 30 EHEDHN C=CCC1(C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)CCCC1 ZINC000899046840 1039958299 /nfs/dbraw/zinc/95/82/99/1039958299.db2.gz DSBTZXKVLSPZDE-UHFFFAOYSA-N 0 3 346.862 3.786 20 30 EHEDHN Cc1cc(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc(C#N)n1 ZINC000553524363 1040163767 /nfs/dbraw/zinc/16/37/67/1040163767.db2.gz AZNJSYXPERLTJC-KRWDZBQOSA-N 0 3 348.372 3.995 20 30 EHEDHN CN1CC[C@@H](NCc2cc(C#N)ccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000573731834 1040208656 /nfs/dbraw/zinc/20/86/56/1040208656.db2.gz CEOHRJOAQHAAHH-MOPGFXCFSA-N 0 3 343.833 3.886 20 30 EHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000553673128 1040306429 /nfs/dbraw/zinc/30/64/29/1040306429.db2.gz HHMVVBSMCKVANV-LPHOPBHVSA-N 0 3 332.488 3.795 20 30 EHEDHN C[C@H](NC(=O)CN[C@H](CCCC#N)c1ccccc1)c1cccs1 ZINC000433011504 1040423607 /nfs/dbraw/zinc/42/36/07/1040423607.db2.gz GAOHSXFUTUDDKS-DOTOQJQBSA-N 0 3 341.480 3.950 20 30 EHEDHN C[C@@H](NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(C#N)cc1F ZINC000512661365 1040444652 /nfs/dbraw/zinc/44/46/52/1040444652.db2.gz RMPILHIEIHLSSI-YJYMSZOUSA-N 0 3 329.394 3.790 20 30 EHEDHN C=CCCCC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000481310378 1040657851 /nfs/dbraw/zinc/65/78/51/1040657851.db2.gz JQOQPTWLIXFNIH-UHFFFAOYSA-N 0 3 342.405 3.952 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2F)C(C)C)CC1 ZINC000660597306 1041713679 /nfs/dbraw/zinc/71/36/79/1041713679.db2.gz ONHIYEIYNADFMJ-LJQANCHMSA-N 0 3 347.478 3.863 20 30 EHEDHN N#Cc1cccc(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000511858910 1041733096 /nfs/dbraw/zinc/73/30/96/1041733096.db2.gz JKSJMHIIBQSORU-NJDAHSKKSA-N 0 3 345.446 3.765 20 30 EHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(OC)cc2)o1 ZINC000661118861 1041955990 /nfs/dbraw/zinc/95/59/90/1041955990.db2.gz NPKMWEVWICRCIA-YOEHRIQHSA-N 0 3 327.428 3.970 20 30 EHEDHN C=CCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H](C)COC ZINC000661244852 1042025031 /nfs/dbraw/zinc/02/50/31/1042025031.db2.gz YVXHYPWAFNHKDD-KRWDZBQOSA-N 0 3 338.451 3.962 20 30 EHEDHN C[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1CCO ZINC000661490079 1042144756 /nfs/dbraw/zinc/14/47/56/1042144756.db2.gz CNVBSFAXHATTPS-YOEHRIQHSA-N 0 3 325.374 3.540 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104706160 1042320415 /nfs/dbraw/zinc/32/04/15/1042320415.db2.gz LXOZHFCXCXOLIB-BOUXLOLZSA-N 0 3 345.462 3.699 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000248743417 1042530190 /nfs/dbraw/zinc/53/01/90/1042530190.db2.gz MUBNHDSHVPMYNG-NSHGMRRFSA-N 0 3 344.499 3.557 20 30 EHEDHN CC1CCN([C@H](CNc2cnccc2C#N)c2cccs2)CC1 ZINC000094131830 1042827267 /nfs/dbraw/zinc/82/72/67/1042827267.db2.gz VLGJAFKTQDQYPK-QGZVFWFLSA-N 0 3 326.469 3.900 20 30 EHEDHN N#CC1(c2ccccn2)CCN(CCCCC2CCOCC2)CC1 ZINC000369205684 1043085344 /nfs/dbraw/zinc/08/53/44/1043085344.db2.gz KHFSOKPOFMTDBK-UHFFFAOYSA-N 0 3 327.472 3.536 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CC=CCC1 ZINC000344032828 1043142395 /nfs/dbraw/zinc/14/23/95/1043142395.db2.gz DTJSTXDXQPIQGB-ZWKOTPCHSA-N 0 3 325.456 3.610 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](C3CC3)C2)c1 ZINC000344041399 1043143167 /nfs/dbraw/zinc/14/31/67/1043143167.db2.gz AGGMSAQLEZJMIF-MJGOQNOKSA-N 0 3 339.483 3.671 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC001670905536 1128019908 /nfs/dbraw/zinc/01/99/08/1128019908.db2.gz HHRIJXZSTDPTGB-OXQOHEQNSA-N 0 3 348.450 3.651 20 30 EHEDHN COc1ccc(Cl)cc1N1CC[C@@H](NCc2csc(C#N)c2)C1 ZINC000921655112 1128437565 /nfs/dbraw/zinc/43/75/65/1128437565.db2.gz HXLKYQSBDYBALS-CQSZACIVSA-N 0 3 347.871 3.650 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000107070270 1128523731 /nfs/dbraw/zinc/52/37/31/1128523731.db2.gz VLAXTJIBBIPVNI-QWHCGFSZSA-N 0 3 327.815 3.889 20 30 EHEDHN COc1ccccc1[C@H](CNc1cccc(C#N)n1)N1CCCCC1 ZINC000301294551 1128582598 /nfs/dbraw/zinc/58/25/98/1128582598.db2.gz WQNOWLRNUJKRQG-SFHVURJKSA-N 0 3 336.439 3.601 20 30 EHEDHN Cc1ccc(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)nc1C#N ZINC000302772146 1128646965 /nfs/dbraw/zinc/64/69/65/1128646965.db2.gz NFEBYUMWCAZGCS-MRXNPFEDSA-N 0 3 348.372 3.995 20 30 EHEDHN COc1ccc([C@@H](CNc2c(C#N)cccc2C#N)N2CCCC2)cc1 ZINC000302850636 1128651860 /nfs/dbraw/zinc/65/18/60/1128651860.db2.gz PQWAWUICVUBLQY-HXUWFJFHSA-N 0 3 346.434 3.688 20 30 EHEDHN N#Cc1cccc(OCCN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000554845550 1128716608 /nfs/dbraw/zinc/71/66/08/1128716608.db2.gz BNAMJZBYFVMWJT-MRXNPFEDSA-N 0 3 338.373 3.992 20 30 EHEDHN CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000072733310 1128734657 /nfs/dbraw/zinc/73/46/57/1128734657.db2.gz JTTRZUXKRINFQA-HXUWFJFHSA-N 0 3 348.450 3.687 20 30 EHEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000765928651 1128759378 /nfs/dbraw/zinc/75/93/78/1128759378.db2.gz YOBLIYWSGZQCOP-ZMSDIMECSA-N 0 3 345.462 3.520 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000111246655 1128855443 /nfs/dbraw/zinc/85/54/43/1128855443.db2.gz LQNHJLGLSSKJRM-OXJNMPFZSA-N 0 3 327.472 3.516 20 30 EHEDHN C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001687384445 1120244074 /nfs/dbraw/zinc/24/40/74/1120244074.db2.gz NKTRXDNOCVUGTB-WOJBJXKFSA-N 0 3 341.499 3.710 20 30 EHEDHN CN1CC[C@@H](NCc2csc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000921931811 1128930746 /nfs/dbraw/zinc/93/07/46/1128930746.db2.gz LLDSDKXFHGRZQT-IAGOWNOFSA-N 0 3 349.862 3.947 20 30 EHEDHN CN1CC[C@@H](NCc2csc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000921931813 1128930820 /nfs/dbraw/zinc/93/08/20/1128930820.db2.gz LLDSDKXFHGRZQT-SJORKVTESA-N 0 3 349.862 3.947 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000921932883 1128937422 /nfs/dbraw/zinc/93/74/22/1128937422.db2.gz SLWQJIQLRBOQAL-WNSKOXEYSA-N 0 3 326.465 3.763 20 30 EHEDHN Cc1cc(CN2CCC(Oc3cccc(C#N)c3)CC2)ccc1C#N ZINC000487933909 1121312282 /nfs/dbraw/zinc/31/22/82/1121312282.db2.gz VXQFLVJVIBPYAU-UHFFFAOYSA-N 0 3 331.419 3.782 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495715081 1121373851 /nfs/dbraw/zinc/37/38/51/1121373851.db2.gz GCABHVWJEJGGIS-MGPUTAFESA-N 0 3 343.471 3.856 20 30 EHEDHN CC(C)CCSCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193609241 1121489381 /nfs/dbraw/zinc/48/93/81/1121489381.db2.gz ISRDNQDAKXZGJT-CQSZACIVSA-N 0 3 338.860 3.767 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000171722747 1121513241 /nfs/dbraw/zinc/51/32/41/1121513241.db2.gz KELNWGQEWRVKAI-UHFFFAOYSA-N 0 3 344.842 3.980 20 30 EHEDHN C=CCN1CCC(NC(=O)C(C)(C)CCCc2ccccc2)CC1 ZINC000496470875 1122093386 /nfs/dbraw/zinc/09/33/86/1122093386.db2.gz PVLQBDDGNNISHR-UHFFFAOYSA-N 0 3 328.500 3.802 20 30 EHEDHN Cc1cc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)ccc1C#N ZINC000488124527 1122187784 /nfs/dbraw/zinc/18/77/84/1122187784.db2.gz DIYPOXRQTLGOSF-INIZCTEOSA-N 0 3 333.435 3.844 20 30 EHEDHN N#CC(C(=O)C[C@H]1C=CCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130463233 1122245957 /nfs/dbraw/zinc/24/59/57/1122245957.db2.gz XIIUBZTYSHVCSH-HZMBPMFUSA-N 0 3 337.206 3.997 20 30 EHEDHN C[C@H](C1CC1)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100134 1122499278 /nfs/dbraw/zinc/49/92/78/1122499278.db2.gz JJESVWDJTQLPSO-IUODEOHRSA-N 0 3 339.464 3.735 20 30 EHEDHN CC(C)c1ccc([C@H](C)NN=Cc2ccc(N(C)CCO)cc2)cc1 ZINC000917550581 1122634711 /nfs/dbraw/zinc/63/47/11/1122634711.db2.gz AZYWHLAFXQPKSH-KRWDZBQOSA-N 0 3 339.483 3.923 20 30 EHEDHN C[C@H](Cc1ccccc1Cl)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000155112097 1123188509 /nfs/dbraw/zinc/18/85/09/1123188509.db2.gz XCDIALOLOOPCMQ-CZUORRHYSA-N 0 3 346.858 3.676 20 30 EHEDHN CC[C@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168524940 1123215322 /nfs/dbraw/zinc/21/53/22/1123215322.db2.gz QEHCRVCDCHRBPA-FRRDWIJNSA-N 0 3 349.397 3.599 20 30 EHEDHN Cc1cc(C)c(CON=Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000920836699 1123429964 /nfs/dbraw/zinc/42/99/64/1123429964.db2.gz JSVLJJVVWUDVHJ-UHFFFAOYSA-N 0 3 338.451 3.999 20 30 EHEDHN C#CCOc1ccccc1CNC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000237887404 1123901541 /nfs/dbraw/zinc/90/15/41/1123901541.db2.gz BVKRYRZMERSMDC-LJQANCHMSA-N 0 3 338.451 3.527 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181314011 1124752013 /nfs/dbraw/zinc/75/20/13/1124752013.db2.gz JAZGCFKSPFXPNP-MSOLQXFVSA-N 0 3 349.478 3.988 20 30 EHEDHN C[C@@H](NCc1cccc(CN2CCCC2=O)c1)c1cccc(C#N)c1 ZINC000181489660 1124883282 /nfs/dbraw/zinc/88/32/82/1124883282.db2.gz XVSUWODQLTWZKC-MRXNPFEDSA-N 0 3 333.435 3.531 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CNCc2cn(C)nc2-c2ccccc2)cc1 ZINC000181822998 1125049221 /nfs/dbraw/zinc/04/92/21/1125049221.db2.gz XTZBEXPAMZGYOU-INIZCTEOSA-N 0 3 346.434 3.668 20 30 EHEDHN CN(C)Cc1cccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)c1 ZINC000619749867 1125401153 /nfs/dbraw/zinc/40/11/53/1125401153.db2.gz BXIKKILKJLKDKL-UHFFFAOYSA-N 0 3 342.830 3.595 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc2c1CN(CCCC)C2 ZINC000066967136 1129230312 /nfs/dbraw/zinc/23/03/12/1129230312.db2.gz UCOSJXKWUCRTET-KRWDZBQOSA-N 0 3 341.499 3.803 20 30 EHEDHN N#Cc1cccc(CCNCc2cc(F)ccc2Br)c1 ZINC000466424338 1129441452 /nfs/dbraw/zinc/44/14/52/1129441452.db2.gz HJNHDIFFDULVHZ-UHFFFAOYSA-N 0 3 333.204 3.792 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCOCc3ccccc3)nc21 ZINC000735787620 1131379756 /nfs/dbraw/zinc/37/97/56/1131379756.db2.gz CWZBLYKBALJTAR-MRXNPFEDSA-N 0 3 333.391 3.655 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CSc4ccccc43)nc21 ZINC000735792602 1131380475 /nfs/dbraw/zinc/38/04/75/1131380475.db2.gz MYZNVUXXTAENCV-ZIAGYGMSSA-N 0 3 333.416 3.937 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CSc4ccccc43)[nH]c21 ZINC000735792602 1131380481 /nfs/dbraw/zinc/38/04/81/1131380481.db2.gz MYZNVUXXTAENCV-ZIAGYGMSSA-N 0 3 333.416 3.937 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SC1CCCCC1 ZINC000509088252 1129735478 /nfs/dbraw/zinc/73/54/78/1129735478.db2.gz AUDQFUMPMXZGPV-UHFFFAOYSA-N 0 3 334.533 3.917 20 30 EHEDHN N#Cc1ccccc1N1CCCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000509093856 1129739603 /nfs/dbraw/zinc/73/96/03/1129739603.db2.gz KFBWJDGBXGEDJJ-HWKANZROSA-N 0 3 335.426 3.923 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2C)N2CCCC2)cc1 ZINC000163905858 1129953010 /nfs/dbraw/zinc/95/30/10/1129953010.db2.gz PSOPJWMXKDTAJK-NRFANRHFSA-N 0 3 347.462 3.742 20 30 EHEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000134089004 1129979064 /nfs/dbraw/zinc/97/90/64/1129979064.db2.gz HYLCENCBEOVWJX-CRAIPNDOSA-N 0 3 343.471 3.683 20 30 EHEDHN C=CC[C@@H]1CCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)C1 ZINC000625703463 1129986879 /nfs/dbraw/zinc/98/68/79/1129986879.db2.gz LLQCEGXAGUCEPG-CYBMUJFWSA-N 0 3 330.453 3.922 20 30 EHEDHN C=CCn1cc(CN[C@H]2CCCC[C@H]2c2ccccc2Cl)nn1 ZINC000658037713 1130075990 /nfs/dbraw/zinc/07/59/90/1130075990.db2.gz IVBVIORTYAOHDU-WMZOPIPTSA-N 0 3 330.863 3.934 20 30 EHEDHN CCc1ccc([C@H](C)C(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000727953573 1130613298 /nfs/dbraw/zinc/61/32/98/1130613298.db2.gz KDVKYNMYEDIIIL-KBXCAEBGSA-N 0 3 326.440 3.510 20 30 EHEDHN C[C@@H](CCCC#N)N1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001172505291 1131762033 /nfs/dbraw/zinc/76/20/33/1131762033.db2.gz LHPLWIZTOKCUDQ-AWEZNQCLSA-N 0 3 341.377 3.790 20 30 EHEDHN C=CCOc1ccc(OC(=O)c2ccc(CN(CC)CC)o2)cc1 ZINC000742859930 1131807585 /nfs/dbraw/zinc/80/75/85/1131807585.db2.gz DSWOIIAODYMJOF-UHFFFAOYSA-N 0 3 329.396 3.905 20 30 EHEDHN CC(C)OC(=O)CC[C@H](C)N1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001172761101 1131838244 /nfs/dbraw/zinc/83/82/44/1131838244.db2.gz DLXLYWYVVZYWFG-QFBILLFUSA-N 0 3 344.455 3.522 20 30 EHEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000744032516 1132014156 /nfs/dbraw/zinc/01/41/56/1132014156.db2.gz GHBBCCJPEWFBBT-VQTJNVASSA-N 0 3 348.446 3.636 20 30 EHEDHN CC1(C#N)CCC(N2CCN(c3nsc4ccccc43)CC2)CC1 ZINC001173594186 1132100122 /nfs/dbraw/zinc/10/01/22/1132100122.db2.gz USEDHBSCZVWTDB-UHFFFAOYSA-N 0 3 340.496 3.891 20 30 EHEDHN CC(C)[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000103330708 1132825967 /nfs/dbraw/zinc/82/59/67/1132825967.db2.gz MRGBYMWSRKZCMG-ZWKOTPCHSA-N 0 3 326.440 3.584 20 30 EHEDHN COc1nc(NC(=O)C(C#N)Cc2cccs2)cc2ccccc21 ZINC001177908699 1133110892 /nfs/dbraw/zinc/11/08/92/1133110892.db2.gz NAKSYUFHVUBXDP-ZDUSSCGKSA-N 0 3 337.404 3.626 20 30 EHEDHN CCNc1ccnc(Cl)c1NC(=O)C(C#N)Cc1cccs1 ZINC001177904842 1133111130 /nfs/dbraw/zinc/11/11/30/1133111130.db2.gz SSGOLIWPAFQWKW-JTQLQIEISA-N 0 3 334.832 3.549 20 30 EHEDHN C#CCOc1ccc(CNCc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC001178754800 1133195488 /nfs/dbraw/zinc/19/54/88/1133195488.db2.gz WIFNBVMTSXNZON-UHFFFAOYSA-N 0 3 335.382 3.518 20 30 EHEDHN CC(C)C[C@H](CNCc1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC001178991705 1133220122 /nfs/dbraw/zinc/22/01/22/1133220122.db2.gz DYWTWEOAMGFRKB-MRXNPFEDSA-N 0 3 334.435 3.791 20 30 EHEDHN CCCCN(CC)[C@@H](C(=O)N1CCC[C@H](C#N)C1)c1ccccc1 ZINC001182236648 1133596206 /nfs/dbraw/zinc/59/62/06/1133596206.db2.gz ZWMIGPQCJVFULO-IEBWSBKVSA-N 0 3 327.472 3.612 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2cc(F)ccc2s1)c1ccccc1 ZINC000772660846 1133709166 /nfs/dbraw/zinc/70/91/66/1133709166.db2.gz XSYUUNDEQOASKQ-CQSZACIVSA-N 0 3 339.395 3.748 20 30 EHEDHN C#CCOc1cccc(-c2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)c1 ZINC000785585673 1133722836 /nfs/dbraw/zinc/72/28/36/1133722836.db2.gz MZEOQGOXXWOLDY-KKUMJFAQSA-N 0 3 325.412 3.682 20 30 EHEDHN Cc1nc(CC(=O)C(C#N)c2nc3cc(F)ccc3s2)c(C)s1 ZINC000786400505 1133850535 /nfs/dbraw/zinc/85/05/35/1133850535.db2.gz DZZIRIFTYWVJQN-LLVKDONJSA-N 0 3 345.424 3.928 20 30 EHEDHN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786529831 1133861442 /nfs/dbraw/zinc/86/14/42/1133861442.db2.gz DMDHMAUTPREEKW-DOMZBBRYSA-N 0 3 334.847 3.737 20 30 EHEDHN N#Cc1ccc(-c2ccn(CN3CC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000746716147 1134059301 /nfs/dbraw/zinc/05/93/01/1134059301.db2.gz LOZDUOWYLFPDOV-HXUWFJFHSA-N 0 3 328.419 3.869 20 30 EHEDHN C#Cc1cccc(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000746720204 1134061549 /nfs/dbraw/zinc/06/15/49/1134061549.db2.gz TVLMKBIIYOVOHP-OAQYLSRUSA-N 0 3 347.462 3.796 20 30 EHEDHN CC1(C)CN(C2(CNc3cc(F)ccc3C#N)CCCCC2)CCO1 ZINC001185323519 1134071960 /nfs/dbraw/zinc/07/19/60/1134071960.db2.gz PSSQEJCVXQROHF-UHFFFAOYSA-N 0 3 345.462 3.923 20 30 EHEDHN C#CCC1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCCCC1 ZINC000788151120 1134088680 /nfs/dbraw/zinc/08/86/80/1134088680.db2.gz DZCHWYSUJAHUKF-KRWDZBQOSA-N 0 3 344.524 3.975 20 30 EHEDHN CC(=NN[C@H](CO)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000788462641 1134128125 /nfs/dbraw/zinc/12/81/25/1134128125.db2.gz YQIPGCMHFLGZTL-OAQYLSRUSA-N 0 3 337.467 3.724 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(Cc2ccccc2)cc1 ZINC001186547776 1134235621 /nfs/dbraw/zinc/23/56/21/1134235621.db2.gz ZJVFESRYKWXLIO-NRFANRHFSA-N 0 3 334.463 3.658 20 30 EHEDHN COc1ccc(O)c(/C=N\C[C@@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000746815570 1134275779 /nfs/dbraw/zinc/27/57/79/1134275779.db2.gz KWWVLTZYYQZIRQ-BCUAHEQISA-N 0 3 332.831 3.776 20 30 EHEDHN COc1cccc(O)c1/C=N\C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000746816240 1134280722 /nfs/dbraw/zinc/28/07/22/1134280722.db2.gz PDFSYZQXIOEDDR-IWEBCOIVSA-N 0 3 332.831 3.776 20 30 EHEDHN CN(C)Cc1ccccc1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790286157 1134389798 /nfs/dbraw/zinc/38/97/98/1134389798.db2.gz PRKHUNCWUDMXPK-UHFFFAOYSA-N 0 3 346.352 3.757 20 30 EHEDHN C#CCCCCCCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC001190925678 1134765020 /nfs/dbraw/zinc/76/50/20/1134765020.db2.gz VQLZNQDOMRSFBF-IBGZPJMESA-N 0 3 328.500 3.958 20 30 EHEDHN N#Cc1ccc(OCCCN2CCC(CC(F)(F)F)CC2)cc1 ZINC000792934552 1134829355 /nfs/dbraw/zinc/82/93/55/1134829355.db2.gz XVHKGHOGIMNVFZ-UHFFFAOYSA-N 0 3 326.362 3.992 20 30 EHEDHN Brc1cccc2nc(NCC#Cc3ccccc3)[nH]c21 ZINC001170429539 1134902022 /nfs/dbraw/zinc/90/20/22/1134902022.db2.gz IJKOCVPMXTWIKL-UHFFFAOYSA-N 0 3 326.197 3.789 20 30 EHEDHN C=CC[C@H]1N(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCC1(C)C ZINC001193921461 1135204197 /nfs/dbraw/zinc/20/41/97/1135204197.db2.gz XJGFIYLPFBRPAS-QGZVFWFLSA-N 0 3 346.427 3.948 20 30 EHEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2Br)C12CCC2 ZINC001194445720 1135274164 /nfs/dbraw/zinc/27/41/64/1135274164.db2.gz KODGKBYZFKNRTL-HOTGVXAUSA-N 0 3 349.272 3.758 20 30 EHEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cccc(Cl)c1)CC2 ZINC001203798930 1135301089 /nfs/dbraw/zinc/30/10/89/1135301089.db2.gz NTMCZWRKTVZXEX-LJQANCHMSA-N 0 3 332.875 3.873 20 30 EHEDHN C#Cc1cccc(NC(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)c1 ZINC000806182851 1135407661 /nfs/dbraw/zinc/40/76/61/1135407661.db2.gz FEEJXYQRQOUDLK-RHSMWYFYSA-N 0 3 325.412 3.512 20 30 EHEDHN N#Cc1ccc(CNC[C@H](O)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000808426575 1135660883 /nfs/dbraw/zinc/66/08/83/1135660883.db2.gz PLUIJHBYQXXUTM-INIZCTEOSA-N 0 3 338.304 3.539 20 30 EHEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000775783812 1135724627 /nfs/dbraw/zinc/72/46/27/1135724627.db2.gz VPDIGEQSNLMSIX-QFBILLFUSA-N 0 3 327.472 3.671 20 30 EHEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001197700877 1135727685 /nfs/dbraw/zinc/72/76/85/1135727685.db2.gz AHZPRVCCSHWBAB-ICSRJNTNSA-N 0 3 346.474 3.950 20 30 EHEDHN CN1CCC(N(C(=S)Nc2cccc(C#N)c2)C2CCCC2)CC1 ZINC001197709175 1135728229 /nfs/dbraw/zinc/72/82/29/1135728229.db2.gz RYHPZJUPOVHRBY-UHFFFAOYSA-N 0 3 342.512 3.594 20 30 EHEDHN COc1ccccc1N1CCCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001198632358 1135840911 /nfs/dbraw/zinc/84/09/11/1135840911.db2.gz AILDSIBKSMKHHU-UHFFFAOYSA-N 0 3 335.451 3.588 20 30 EHEDHN C#CCOc1ccc(CN2CCC([C@@H](O)c3ccccc3C)CC2)cc1 ZINC000809704028 1135875115 /nfs/dbraw/zinc/87/51/15/1135875115.db2.gz XCCPDYRPOBETMF-HSZRJFAPSA-N 0 3 349.474 3.953 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000776005202 1135918899 /nfs/dbraw/zinc/91/88/99/1135918899.db2.gz CQTKNWUASAQXRG-UTKZUKDTSA-N 0 3 341.499 3.906 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128187 1135925226 /nfs/dbraw/zinc/92/52/26/1135925226.db2.gz DTUDNEVUUDNRJD-MRXNPFEDSA-N 0 3 333.435 3.926 20 30 EHEDHN CCN(CC)C(=O)[C@H](Cc1ccccc1)N[C@@H](C)c1cccc(C#N)c1 ZINC000776153881 1136005170 /nfs/dbraw/zinc/00/51/70/1136005170.db2.gz IJPJIKYHKPFKMD-UWJYYQICSA-N 0 3 349.478 3.689 20 30 EHEDHN CCCCCCCCCCN1CC[C@@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001201875307 1136071905 /nfs/dbraw/zinc/07/19/05/1136071905.db2.gz UWBCOHQOQBIHKS-RTBURBONSA-N 0 3 346.519 3.740 20 30 EHEDHN C=CCOCc1nn(CC2CC2)c2c1CN(CCC(C)(C)C)CC2 ZINC001202072817 1136087979 /nfs/dbraw/zinc/08/79/79/1136087979.db2.gz CQDLHXPHYXEDEZ-UHFFFAOYSA-N 0 3 331.504 3.790 20 30 EHEDHN O=C(Nc1ccccc1C(F)(F)F)N1CCC2SC(=O)C=C2C1 ZINC001202157250 1136102880 /nfs/dbraw/zinc/10/28/80/1136102880.db2.gz CEDUTOJPHLDJRT-GFCCVEGCSA-N 0 3 342.342 3.511 20 30 EHEDHN COC(=O)Nc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000850295523 1136232780 /nfs/dbraw/zinc/23/27/80/1136232780.db2.gz XFOCFKCMZSADGT-UHFFFAOYSA-N 0 3 335.407 3.710 20 30 EHEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812902945 1136267571 /nfs/dbraw/zinc/26/75/71/1136267571.db2.gz OLOGQHPICKFICM-MRXNPFEDSA-N 0 3 348.450 3.637 20 30 EHEDHN CCOC1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCC1 ZINC000850769151 1136303012 /nfs/dbraw/zinc/30/30/12/1136303012.db2.gz JAJGBWUJMKQGND-LLVKDONJSA-N 0 3 333.338 3.567 20 30 EHEDHN CCc1ccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000813217396 1136304295 /nfs/dbraw/zinc/30/42/95/1136304295.db2.gz KZCXVBVXKARLNM-HNNXBMFYSA-N 0 3 348.324 3.918 20 30 EHEDHN C#C[C@H](N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000816616310 1136741865 /nfs/dbraw/zinc/74/18/65/1136741865.db2.gz TYSOFLHZPYDCKC-DYVFJYSZSA-N 0 3 348.874 3.859 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CC2CCCC2)c1 ZINC000114617886 1136813456 /nfs/dbraw/zinc/81/34/56/1136813456.db2.gz CKSQJOWJLYZUKF-DYVFJYSZSA-N 0 3 328.412 3.559 20 30 EHEDHN SC1CCN([C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170884050 1136853915 /nfs/dbraw/zinc/85/39/15/1136853915.db2.gz HPSGXDYVMDBUOE-AWEZNQCLSA-N 0 3 326.303 3.701 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000858199112 1136949057 /nfs/dbraw/zinc/94/90/57/1136949057.db2.gz AUIMVJVPLKCZII-SFHVURJKSA-N 0 3 347.890 3.667 20 30 EHEDHN COc1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1C#N ZINC000825310975 1137174086 /nfs/dbraw/zinc/17/40/86/1137174086.db2.gz FBIOZPUHVBIEGA-GOSISDBHSA-N 0 3 342.464 3.622 20 30 EHEDHN N#Cc1ccc([C@H](O)CNC2(c3ccccc3Cl)CCC2)cc1 ZINC000844351328 1137214158 /nfs/dbraw/zinc/21/41/58/1137214158.db2.gz NEZFEUVYQGISEF-GOSISDBHSA-N 0 3 326.827 3.914 20 30 EHEDHN CCc1ccc([C@H](O)C/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])cc1 ZINC000794680466 1137225897 /nfs/dbraw/zinc/22/58/97/1137225897.db2.gz NPKYNPZKTYYGOA-NBOCOGBRSA-N 0 3 340.467 3.953 20 30 EHEDHN CC[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000865291240 1137274682 /nfs/dbraw/zinc/27/46/82/1137274682.db2.gz UTVXBAQCUAMOMM-ZIAGYGMSSA-N 0 3 327.453 3.737 20 30 EHEDHN CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000772918739 1137280032 /nfs/dbraw/zinc/28/00/32/1137280032.db2.gz PVADXJHHRZJFIP-INIZCTEOSA-N 0 3 347.434 3.577 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cc(O)ccc1Br ZINC001171193832 1137302160 /nfs/dbraw/zinc/30/21/60/1137302160.db2.gz CZWKHBOGJUPZBI-LBPRGKRZSA-N 0 3 345.240 3.747 20 30 EHEDHN Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c([O-])c1 ZINC000846211356 1137343444 /nfs/dbraw/zinc/34/34/44/1137343444.db2.gz DLXUTQSOMOFWDZ-KRWDZBQOSA-N 0 3 349.478 3.888 20 30 EHEDHN Cn1cc(C(F)F)c(CNC2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000866565256 1137365112 /nfs/dbraw/zinc/36/51/12/1137365112.db2.gz FRYVSVPBQRFLDA-UHFFFAOYSA-N 0 3 344.409 3.851 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cnccc2C)ccc1OC ZINC000772980465 1137406492 /nfs/dbraw/zinc/40/64/92/1137406492.db2.gz OYUXRVPGQZVPMP-DOTOQJQBSA-N 0 3 339.439 3.930 20 30 EHEDHN COc1cccc([C@H](CNc2cc(C)cc(F)c2C#N)N(C)C)c1 ZINC001649160503 1137487454 /nfs/dbraw/zinc/48/74/54/1137487454.db2.gz ZVYAPDNQRVKOKA-IBGZPJMESA-N 0 3 327.403 3.729 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001172313405 1137546645 /nfs/dbraw/zinc/54/66/45/1137546645.db2.gz WIKJYMUVZIOVGN-UZLBHIALSA-N 0 3 333.435 3.592 20 30 EHEDHN CC(C)N1CCN(CCCSc2c(Cl)cccc2C#N)CC1 ZINC000871692335 1137553973 /nfs/dbraw/zinc/55/39/73/1137553973.db2.gz KYQFGBRZLMLLAS-UHFFFAOYSA-N 0 3 337.920 3.720 20 30 EHEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1c[nH]c3c1cccc3F)C2 ZINC001137056405 1137571096 /nfs/dbraw/zinc/57/10/96/1137571096.db2.gz TYBDWGNMAIEDAY-OXQOHEQNSA-N 0 3 344.430 3.633 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000876569486 1137655913 /nfs/dbraw/zinc/65/59/13/1137655913.db2.gz UPWDVMLZBDPVSC-IAGOWNOFSA-N 0 3 336.863 3.609 20 30 EHEDHN C=CCN(Cc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876599738 1137656733 /nfs/dbraw/zinc/65/67/33/1137656733.db2.gz JXNUGUCBRKAFJJ-UHFFFAOYSA-N 0 3 336.479 3.836 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000876643528 1137658022 /nfs/dbraw/zinc/65/80/22/1137658022.db2.gz ZCZCNTMDRPEDAL-ZIAGYGMSSA-N 0 3 346.780 3.839 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000876885236 1137664535 /nfs/dbraw/zinc/66/45/35/1137664535.db2.gz JUOCYNSWDJSDNC-CABCVRRESA-N 0 3 327.255 3.864 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1c(OC(C)C)ccc2ccccc21 ZINC000876897694 1137664876 /nfs/dbraw/zinc/66/48/76/1137664876.db2.gz MDOISSUEWCHQFV-QGZVFWFLSA-N 0 3 346.858 3.713 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCCOC)cc1 ZINC000126275063 1137666721 /nfs/dbraw/zinc/66/67/21/1137666721.db2.gz PNUXRABIHORQQO-YOEHRIQHSA-N 0 3 330.428 3.664 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000876980510 1137666838 /nfs/dbraw/zinc/66/68/38/1137666838.db2.gz HVKLCJIVLGISSX-VIFPVBQESA-N 0 3 343.132 3.647 20 30 EHEDHN C[C@H](CCC#N)C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000877033795 1137668317 /nfs/dbraw/zinc/66/83/17/1137668317.db2.gz NXQGARPJMYHBND-PBHICJAKSA-N 0 3 335.879 3.539 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000877069774 1137669381 /nfs/dbraw/zinc/66/93/81/1137669381.db2.gz PCLYQRQHBNLBKT-UHFFFAOYSA-N 0 3 344.802 3.627 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H](NCC(C)(C)C#N)CC[C@@H]21 ZINC000877322403 1137674434 /nfs/dbraw/zinc/67/44/34/1137674434.db2.gz FYJRQYJXELDMER-OAGGEKHMSA-N 0 3 335.492 3.694 20 30 EHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877363842 1137674867 /nfs/dbraw/zinc/67/48/67/1137674867.db2.gz ILPJPNUELISYPY-QBPKDAKJSA-N 0 3 335.492 3.836 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648217 1137753529 /nfs/dbraw/zinc/75/35/29/1137753529.db2.gz FFYNQEBDHYHIKJ-HUUCEWRRSA-N 0 3 344.480 3.708 20 30 EHEDHN C#CCC1(O)CCN([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000880481003 1137779819 /nfs/dbraw/zinc/77/98/19/1137779819.db2.gz KJFOEPYRWUJUOQ-QGZVFWFLSA-N 0 3 348.284 3.677 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc(F)c2C(C)(F)F)CC1 ZINC000880736679 1137787474 /nfs/dbraw/zinc/78/74/74/1137787474.db2.gz IFPMUAIJGYLORB-UHFFFAOYSA-N 0 3 341.377 3.709 20 30 EHEDHN N#Cc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000074274211 1137830463 /nfs/dbraw/zinc/83/04/63/1137830463.db2.gz VKNUOFQANUZQJN-LJQANCHMSA-N 0 3 334.423 3.517 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc3c2CCOC3)c1 ZINC000883000033 1137841054 /nfs/dbraw/zinc/84/10/54/1137841054.db2.gz JUYHIOUUGZRESG-LJQANCHMSA-N 0 3 336.435 3.730 20 30 EHEDHN N#Cc1ccsc1NC(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104698600 1137879059 /nfs/dbraw/zinc/87/90/59/1137879059.db2.gz OXTPUDWVXMIOEX-KRWDZBQOSA-N 0 3 325.437 3.689 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccsc2)CC1 ZINC000106275264 1137883226 /nfs/dbraw/zinc/88/32/26/1137883226.db2.gz BHLUYVJQMFUNIX-QGZVFWFLSA-N 0 3 333.501 3.635 20 30 EHEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cccc(Nc3ccccc3)c1)C2 ZINC000884084119 1137905272 /nfs/dbraw/zinc/90/52/72/1137905272.db2.gz HVSWBMHBGMJCRD-TZQQIIETSA-N 0 3 346.434 3.508 20 30 EHEDHN N#Cc1cccc(CNCc2cccc(COCC(F)(F)F)c2)c1 ZINC000120840137 1137952747 /nfs/dbraw/zinc/95/27/47/1137952747.db2.gz UPWSJHOLYBOUNJ-UHFFFAOYSA-N 0 3 334.341 3.927 20 30 EHEDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(OC)cc1 ZINC000019625887 1137955767 /nfs/dbraw/zinc/95/57/67/1137955767.db2.gz GOVKYXWXKSIKFN-KSSFIOAISA-N 0 3 337.423 3.635 20 30 EHEDHN CC(C)c1cc(Cl)ccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884435162 1137959774 /nfs/dbraw/zinc/95/97/74/1137959774.db2.gz MQQMHAOBVXKGTE-YNAXMUEKSA-N 0 3 331.847 3.541 20 30 EHEDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CC1(C#N)CCC1 ZINC000885946882 1138027546 /nfs/dbraw/zinc/02/75/46/1138027546.db2.gz TWNATWSSTXXIAU-CYBMUJFWSA-N 0 3 327.255 3.870 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(SC)c(C#N)c2)cc1 ZINC000886278800 1138063913 /nfs/dbraw/zinc/06/39/13/1138063913.db2.gz JOFMZDKJVKONQM-UHFFFAOYSA-N 0 3 336.460 3.972 20 30 EHEDHN C#CCN(C(=O)C[C@H]1C[C@H](C)c2c1cccc2C)C1CCN(C)CC1 ZINC000886577654 1138098756 /nfs/dbraw/zinc/09/87/56/1138098756.db2.gz RFKGKRMIIZXNLD-ZWKOTPCHSA-N 0 3 338.495 3.532 20 30 EHEDHN C#CCN(C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C)C1CCN(C)CC1 ZINC000886577652 1138098830 /nfs/dbraw/zinc/09/88/30/1138098830.db2.gz RFKGKRMIIZXNLD-QZTJIDSGSA-N 0 3 338.495 3.532 20 30 EHEDHN CSc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000337231934 1138502163 /nfs/dbraw/zinc/50/21/63/1138502163.db2.gz XPESPNRFGDIDFT-IYOUNJFTSA-N 0 3 333.501 3.502 20 30 EHEDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000264452541 1138521001 /nfs/dbraw/zinc/52/10/01/1138521001.db2.gz IIZHLHBSZUCBFJ-LSDHHAIUSA-N 0 3 333.501 3.996 20 30 EHEDHN CN(C)C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000338403554 1138894493 /nfs/dbraw/zinc/89/44/93/1138894493.db2.gz BISZMQXZKANQLE-QGZVFWFLSA-N 0 3 342.830 3.636 20 30 EHEDHN CCCC(=O)Nc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000174273766 1139410300 /nfs/dbraw/zinc/41/03/00/1139410300.db2.gz QGYAVHDWTRPYBP-UHFFFAOYSA-N 0 3 337.423 3.595 20 30 EHEDHN Cc1cc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)c(C)s1 ZINC000179373615 1139752872 /nfs/dbraw/zinc/75/28/72/1139752872.db2.gz SFXALKARTNIPDG-ZIAGYGMSSA-N 0 3 333.501 3.747 20 30 EHEDHN COc1ccc([C@H](CCO)NCc2ccccc2C(C)(C)C#N)cc1 ZINC000182409213 1139970334 /nfs/dbraw/zinc/97/03/34/1139970334.db2.gz NYXLOKQOXCPLCG-FQEVSTJZSA-N 0 3 338.451 3.710 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1cc2ccccc2s1 ZINC000184361909 1140098379 /nfs/dbraw/zinc/09/83/79/1140098379.db2.gz MNKUKTGQJJQIHE-ACJLOTCBSA-N 0 3 329.469 3.606 20 30 EHEDHN Cc1cccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C ZINC000190604914 1140411362 /nfs/dbraw/zinc/41/13/62/1140411362.db2.gz KKBNBXYSYYUHOJ-DYESRHJHSA-N 0 3 347.462 3.627 20 30 EHEDHN CCc1nc2c(s1)[C@@H](N(C)C[C@@H](O)c1ccc(C#N)cc1)CCC2 ZINC000268738351 1140979692 /nfs/dbraw/zinc/97/96/92/1140979692.db2.gz PEYUHGALRDLYEM-DLBZAZTESA-N 0 3 341.480 3.620 20 30 EHEDHN C=CCC[C@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823894369 608537783 /nfs/dbraw/zinc/53/77/83/608537783.db2.gz OJIDAQNHSBWBTO-SFHVURJKSA-N 0 3 337.402 3.803 20 30 EHEDHN C=CCC[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823894369 608537784 /nfs/dbraw/zinc/53/77/84/608537784.db2.gz OJIDAQNHSBWBTO-SFHVURJKSA-N 0 3 337.402 3.803 20 30 EHEDHN CC[N@H+](Cc1ccc(CC#N)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435061 609514069 /nfs/dbraw/zinc/51/40/69/609514069.db2.gz KQLHFHOZSGWTFT-OAHLLOKOSA-N 0 3 346.438 3.516 20 30 EHEDHN CC[N@@H+](Cc1ccc(CC#N)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435061 609514071 /nfs/dbraw/zinc/51/40/71/609514071.db2.gz KQLHFHOZSGWTFT-OAHLLOKOSA-N 0 3 346.438 3.516 20 30 EHEDHN CC[N@H+](Cc1ccc(CC#N)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435061 609514074 /nfs/dbraw/zinc/51/40/74/609514074.db2.gz KQLHFHOZSGWTFT-OAHLLOKOSA-N 0 3 346.438 3.516 20 30 EHEDHN CC[N@@H+](Cc1ccc(CC#N)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435061 609514077 /nfs/dbraw/zinc/51/40/77/609514077.db2.gz KQLHFHOZSGWTFT-OAHLLOKOSA-N 0 3 346.438 3.516 20 30 EHEDHN CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000274596779 1014292705 /nfs/dbraw/zinc/29/27/05/1014292705.db2.gz KWBRXGLVLKUCTF-SFHVURJKSA-N 0 3 333.476 3.966 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(F)F)cc2F)CC1 ZINC000654749793 1014344152 /nfs/dbraw/zinc/34/41/52/1014344152.db2.gz UVCRFIYZFNNGRE-UHFFFAOYSA-N 0 3 326.362 3.534 20 30 EHEDHN CC(C)O[C@@H](C(=O)C(C#N)c1nc2ccccc2n1C)c1ccccc1 ZINC000796709226 1014851913 /nfs/dbraw/zinc/85/19/13/1014851913.db2.gz XLWMAMONWCTIEF-OXQOHEQNSA-N 0 3 347.418 3.916 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCSC ZINC000131007586 1125503621 /nfs/dbraw/zinc/50/36/21/1125503621.db2.gz QRGJWBHGIIXFHM-OAHLLOKOSA-N 0 3 332.469 3.602 20 30 EHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](CC2CC2)C1 ZINC000339678317 1015507657 /nfs/dbraw/zinc/50/76/57/1015507657.db2.gz MDLMQXHLPOQGFT-GXTWGEPZSA-N 0 3 331.847 3.661 20 30 EHEDHN C#CCCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1 ZINC000904621880 1032143932 /nfs/dbraw/zinc/14/39/32/1032143932.db2.gz BDXPTHFTFAKVNF-UHFFFAOYSA-N 0 3 347.418 3.867 20 30 EHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C#N)cc1C ZINC000155165066 1016236528 /nfs/dbraw/zinc/23/65/28/1016236528.db2.gz IDMVSSSTQPZXHF-CTNGQTDRSA-N 0 3 345.446 3.623 20 30 EHEDHN C=CCCCCCCCN1CCCn2nnc(COCC3CC3)c2C1 ZINC001209442101 1016300804 /nfs/dbraw/zinc/30/08/04/1016300804.db2.gz UBZKXRDOQJUFTE-UHFFFAOYSA-N 0 3 346.519 3.937 20 30 EHEDHN CC(C)(C)OC(=O)CC[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000414564162 1016971344 /nfs/dbraw/zinc/97/13/44/1016971344.db2.gz XJKLWNVMFAYGQO-AWEZNQCLSA-N 0 3 334.485 3.954 20 30 EHEDHN N#Cc1ccccc1COc1cccc(CN2CC3(C2)CCOCC3)c1 ZINC000459609822 1032326153 /nfs/dbraw/zinc/32/61/53/1032326153.db2.gz BKUIREUJNCHMKF-UHFFFAOYSA-N 0 3 348.446 3.750 20 30 EHEDHN CC(C)[C@H](NC1CCC(C)(C#N)CC1)c1nc(-c2cccnc2)no1 ZINC000449222437 1032339785 /nfs/dbraw/zinc/33/97/85/1032339785.db2.gz IBDUJLGNUUHFJR-WUJZJPHMSA-N 0 3 339.443 3.891 20 30 EHEDHN COc1ccc(C)cc1[C@H](C)NCCOc1ccc(C#N)cc1OC ZINC000459729655 1032435030 /nfs/dbraw/zinc/43/50/30/1032435030.db2.gz KOKTYNLHJIRWFU-HNNXBMFYSA-N 0 3 340.423 3.614 20 30 EHEDHN N#Cc1c(F)cccc1CNC1CCN(Cc2ccc(F)cc2)CC1 ZINC000602007834 1032591958 /nfs/dbraw/zinc/59/19/58/1032591958.db2.gz ZBNUFXBMYKOFEE-UHFFFAOYSA-N 0 3 341.405 3.591 20 30 EHEDHN CCO[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C12CCC2 ZINC000537308475 1032616211 /nfs/dbraw/zinc/61/62/11/1032616211.db2.gz RNQSVIPHJQMGSJ-IAGOWNOFSA-N 0 3 337.385 3.994 20 30 EHEDHN CN(C)[C@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccc(F)cc1 ZINC000255072412 1017349614 /nfs/dbraw/zinc/34/96/14/1017349614.db2.gz KMPOGABCMLDBLM-JJUBJSHISA-N 0 3 337.398 3.801 20 30 EHEDHN CC(C)[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000008003663 1017614906 /nfs/dbraw/zinc/61/49/06/1017614906.db2.gz DNBJZBSLMNTMCS-IBGZPJMESA-N 0 3 325.387 3.623 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=CSCc1ccco1 ZINC000255117597 1017697841 /nfs/dbraw/zinc/69/78/41/1017697841.db2.gz JCSXPFXZBZYEGW-QQBNSCQMSA-N 0 3 337.404 3.790 20 30 EHEDHN C=CCCCCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000472865805 1018401453 /nfs/dbraw/zinc/40/14/53/1018401453.db2.gz ONABDQHAJFEQAV-SFHVURJKSA-N 0 3 329.488 3.649 20 30 EHEDHN C[C@@H](CCC#N)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000602444259 1032891648 /nfs/dbraw/zinc/89/16/48/1032891648.db2.gz DNTSNUPRVZJLTL-ZDUSSCGKSA-N 0 3 349.862 3.636 20 30 EHEDHN N#CCCCNCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000280372465 1020331893 /nfs/dbraw/zinc/33/18/93/1020331893.db2.gz STHIVIZFKATDOR-UHFFFAOYSA-N 0 3 337.139 3.741 20 30 EHEDHN N#Cc1cnn2cc(CN[C@@H](c3cccc(F)c3)C3CCCC3)cnc12 ZINC000581011627 1020353051 /nfs/dbraw/zinc/35/30/51/1020353051.db2.gz IYMRDVHWJRVPRH-LJQANCHMSA-N 0 3 349.413 3.761 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000760356208 1032894602 /nfs/dbraw/zinc/89/46/02/1032894602.db2.gz FYFNSLKAVIDBSH-LJQANCHMSA-N 0 3 344.418 3.991 20 30 EHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CSCCC(C)C ZINC000121317075 1020813582 /nfs/dbraw/zinc/81/35/82/1020813582.db2.gz ZZZMAJLYHGWLPB-CQSZACIVSA-N 0 3 348.468 3.512 20 30 EHEDHN C=CCN1CCC(NC(=O)NCc2ccc(C(C)(C)CC)cc2)CC1 ZINC000506526700 1021277462 /nfs/dbraw/zinc/27/74/62/1021277462.db2.gz WGPVCUVBUHLUKZ-UHFFFAOYSA-N 0 3 343.515 3.824 20 30 EHEDHN CCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000140319618 1021539889 /nfs/dbraw/zinc/53/98/89/1021539889.db2.gz LGCNTRHUTGSTKW-SNVBAGLBSA-N 0 3 347.827 3.629 20 30 EHEDHN CC1(C)CC(N=Nc2nccnc2Cl)CN1Cc1ccccc1 ZINC000761267815 1032990795 /nfs/dbraw/zinc/99/07/95/1032990795.db2.gz WCKRCHMDPDHTBU-UHFFFAOYSA-N 0 3 329.835 3.582 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CCCCO1 ZINC000437157703 1021613979 /nfs/dbraw/zinc/61/39/79/1021613979.db2.gz ZWRZECMGNIGCAV-INIZCTEOSA-N 0 3 338.398 3.941 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3CCC[C@@H]32)ccc1Cl ZINC000426471268 1021658020 /nfs/dbraw/zinc/65/80/20/1021658020.db2.gz VZYVYDXQJCTKTR-QAPCUYQASA-N 0 3 345.874 3.770 20 30 EHEDHN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)CCCCC#N ZINC000602587228 1033007186 /nfs/dbraw/zinc/00/71/86/1033007186.db2.gz YFUPDJRTSYQMHU-HKUYNNGSSA-N 0 3 349.906 3.825 20 30 EHEDHN Cc1ccc(CN(C)Cc2cc(C#N)cs2)c(-c2cnn(C)c2)c1 ZINC000897624701 1033009131 /nfs/dbraw/zinc/00/91/31/1033009131.db2.gz VNFJPHKSNSGZAN-UHFFFAOYSA-N 0 3 336.464 3.961 20 30 EHEDHN N#CC1(CC(=O)N2CCN(CC3CCCCC3)CC2)CCCCC1 ZINC001125536204 1021928503 /nfs/dbraw/zinc/92/85/03/1021928503.db2.gz MIFCJWHQVFGKKR-UHFFFAOYSA-N 0 3 331.504 3.575 20 30 EHEDHN N#Cc1ccc(CNC(=O)CN2CCCCC[C@H]2c2ccccc2)cc1 ZINC000520169172 1021995992 /nfs/dbraw/zinc/99/59/92/1021995992.db2.gz BHJRWTWKFCVEFD-NRFANRHFSA-N 0 3 347.462 3.792 20 30 EHEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000531905412 1022299210 /nfs/dbraw/zinc/29/92/10/1022299210.db2.gz YVKDSBZBAIAFNN-CYBMUJFWSA-N 0 3 344.377 3.660 20 30 EHEDHN COc1ccccc1[C@@H](CNc1cc(C#N)ccn1)N1CCCCC1 ZINC000341582960 1022394408 /nfs/dbraw/zinc/39/44/08/1022394408.db2.gz HEQJYTIQWMWBLZ-GOSISDBHSA-N 0 3 336.439 3.601 20 30 EHEDHN O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CCCN1C1CCCC1 ZINC000328749478 1022481110 /nfs/dbraw/zinc/48/11/10/1022481110.db2.gz BQCIVTRSQARFMK-IBGZPJMESA-N 0 3 338.455 3.926 20 30 EHEDHN C[C@H]1CCCN(CCNC(=O)c2ccc(Cl)c(N)c2Cl)C1 ZINC000330440862 1022591428 /nfs/dbraw/zinc/59/14/28/1022591428.db2.gz DEYYLKYFKUYKMZ-JTQLQIEISA-N 0 3 330.259 3.612 20 30 EHEDHN CN(C)[C@H](CNc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 ZINC000184350986 1022947117 /nfs/dbraw/zinc/94/71/17/1022947117.db2.gz RGKOERTYYUSIKN-OAHLLOKOSA-N 0 3 334.345 3.687 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC000602708474 1033095984 /nfs/dbraw/zinc/09/59/84/1033095984.db2.gz FQFNIAALCYAAMG-UKRRQHHQSA-N 0 3 348.409 3.565 20 30 EHEDHN N#CC(C(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1ccncn1 ZINC000426911793 1023111599 /nfs/dbraw/zinc/11/15/99/1023111599.db2.gz NIWZUHZUCTZWHQ-NSHDSACASA-N 0 3 325.677 3.639 20 30 EHEDHN CCCN1CC[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000598341608 1033107491 /nfs/dbraw/zinc/10/74/91/1033107491.db2.gz DMZFHGFUHSNBBF-QGZVFWFLSA-N 0 3 349.434 3.565 20 30 EHEDHN CC(C)(C)CN(CC#Cc1ccc(C(F)(F)F)cc1)CCCO ZINC000427030016 1023165555 /nfs/dbraw/zinc/16/55/55/1023165555.db2.gz XRGDJAGVDYPMAS-UHFFFAOYSA-N 0 3 327.390 3.787 20 30 EHEDHN C=C(C)COc1cc(CN2CCC[C@](CC)(CO)C2)ccc1OC ZINC000190213359 1023180229 /nfs/dbraw/zinc/18/02/29/1023180229.db2.gz OCLXHJPDFGGFMC-FQEVSTJZSA-N 0 3 333.472 3.635 20 30 EHEDHN N#Cc1cccc(OCCCN2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000610786285 1023514978 /nfs/dbraw/zinc/51/49/78/1023514978.db2.gz QNNRQVNPKNZENM-OAQYLSRUSA-N 0 3 336.435 3.791 20 30 EHEDHN CC(C)C[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000342070927 1023827619 /nfs/dbraw/zinc/82/76/19/1023827619.db2.gz CALRFFMKMBYBTK-SJORKVTESA-N 0 3 345.462 3.829 20 30 EHEDHN N#CC(C(=O)Nc1cc(F)cc(F)c1)c1nc2ccccc2s1 ZINC000505432087 1024153115 /nfs/dbraw/zinc/15/31/15/1024153115.db2.gz DTYGIGNHRAPYLZ-LBPRGKRZSA-N 0 3 329.331 3.820 20 30 EHEDHN Cc1cc(CNCc2ccc(N3CCCCCC3)nc2)ccc1C#N ZINC000443961859 1024166298 /nfs/dbraw/zinc/16/62/98/1024166298.db2.gz QOLMLBBWWDVJFG-UHFFFAOYSA-N 0 3 334.467 3.932 20 30 EHEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000434901785 1024493397 /nfs/dbraw/zinc/49/33/97/1024493397.db2.gz ZEVLLDMHFCDEIL-CZAAIQMYSA-N 0 3 345.446 3.542 20 30 EHEDHN C[C@@H]1[C@H](c2ccccc2)CCN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000434901787 1024493818 /nfs/dbraw/zinc/49/38/18/1024493818.db2.gz ZEVLLDMHFCDEIL-MAODMQOUSA-N 0 3 345.446 3.542 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000514529308 1024540352 /nfs/dbraw/zinc/54/03/52/1024540352.db2.gz TVFBCJIVAWDKPS-UONOGXRCSA-N 0 3 338.398 3.528 20 30 EHEDHN CC(C)(C)c1csc(CC2CCN(CCOCCC#N)CC2)n1 ZINC000602892608 1033246448 /nfs/dbraw/zinc/24/64/48/1033246448.db2.gz LLPRHJYDTVJTBN-UHFFFAOYSA-N 0 3 335.517 3.625 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000097079358 1024977691 /nfs/dbraw/zinc/97/76/91/1024977691.db2.gz OJVIWTCIWKIFOS-KSSFIOAISA-N 0 3 333.451 3.511 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN[C@H](c1ccncc1)C1(CO)CCC1 ZINC000602903358 1033253669 /nfs/dbraw/zinc/25/36/69/1033253669.db2.gz RDWPDFHGJSKKPE-HXUWFJFHSA-N 0 3 349.478 3.876 20 30 EHEDHN CCC[C@@H](CN1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000515114949 1025029486 /nfs/dbraw/zinc/02/94/86/1025029486.db2.gz WIZCDRGNERBGJF-FQEVSTJZSA-N 0 3 334.467 3.659 20 30 EHEDHN Cc1ccc(C(=O)NC2CCN(Cc3ccc(C#N)cc3C)CC2)cc1 ZINC000602932017 1033260473 /nfs/dbraw/zinc/26/04/73/1033260473.db2.gz NPKWEXGTBAGWTI-UHFFFAOYSA-N 0 3 347.462 3.570 20 30 EHEDHN N#Cc1cccc(CNC(=O)CN2CCCCC[C@H]2c2ccccc2)c1 ZINC000521188154 1025261228 /nfs/dbraw/zinc/26/12/28/1025261228.db2.gz OEBRJVSWQKKKOK-NRFANRHFSA-N 0 3 347.462 3.792 20 30 EHEDHN C=CCCn1cc(CN[C@@H](C)Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000657336889 1025270873 /nfs/dbraw/zinc/27/08/73/1025270873.db2.gz ZPVRUYPAPJBJPS-ZDUSSCGKSA-N 0 3 338.377 3.594 20 30 EHEDHN CC(C)Oc1ccc([C@@H](C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000551547276 1025370528 /nfs/dbraw/zinc/37/05/28/1025370528.db2.gz IRDXRNLMOPRGCX-OAHLLOKOSA-N 0 3 334.423 3.844 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2cccc(C)c2)CC1 ZINC000521584922 1025481810 /nfs/dbraw/zinc/48/18/10/1025481810.db2.gz SXRIRDZQSRLXJY-UHFFFAOYSA-N 0 3 343.515 3.612 20 30 EHEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1CCC(=O)N1 ZINC000329140751 1025621811 /nfs/dbraw/zinc/62/18/11/1025621811.db2.gz JSQLGIFASJFTDR-IAGOWNOFSA-N 0 3 343.471 3.535 20 30 EHEDHN C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336973 1025672246 /nfs/dbraw/zinc/67/22/46/1025672246.db2.gz WLQMMTHKMBQYEN-MGBSGCIJSA-N 0 3 345.874 3.578 20 30 EHEDHN CC(C)CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000521816516 1025702326 /nfs/dbraw/zinc/70/23/26/1025702326.db2.gz UQQHQQPQRFPGEL-UHFFFAOYSA-N 0 3 341.499 3.829 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000187728525 1025760363 /nfs/dbraw/zinc/76/03/63/1025760363.db2.gz ZEMNEJFJDBQSSO-MRXNPFEDSA-N 0 3 338.426 3.828 20 30 EHEDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCCC#N)c1[O-] ZINC000848523654 1025813510 /nfs/dbraw/zinc/81/35/10/1025813510.db2.gz BBLRNGTUNBGUGB-SNVBAGLBSA-N 0 3 327.222 3.508 20 30 EHEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000443324960 1025916870 /nfs/dbraw/zinc/91/68/70/1025916870.db2.gz ZHZUAPXPMYAGJD-CKEIUWERSA-N 0 3 325.374 3.538 20 30 EHEDHN Cc1nnc([C@@H]2CCCN([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)[nH]1 ZINC000329505773 1025936304 /nfs/dbraw/zinc/93/63/04/1025936304.db2.gz ZKVDIKFBGCOQFA-GOEBONIOSA-N 0 3 341.459 3.586 20 30 EHEDHN N#Cc1cc(Cl)ccc1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451629827 1026166319 /nfs/dbraw/zinc/16/63/19/1026166319.db2.gz RWNWTISBDPQSGR-MSOLQXFVSA-N 0 3 330.859 3.993 20 30 EHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000342545968 1026222881 /nfs/dbraw/zinc/22/28/81/1026222881.db2.gz RETDWNQXSQGONF-GOSISDBHSA-N 0 3 346.519 3.633 20 30 EHEDHN C[C@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000475385296 1026546090 /nfs/dbraw/zinc/54/60/90/1026546090.db2.gz FFPJQONRALJDPT-MRXNPFEDSA-N 0 3 329.488 3.521 20 30 EHEDHN C#C[C@H]1CCCCN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000934514134 1026562808 /nfs/dbraw/zinc/56/28/08/1026562808.db2.gz ZPSZFNZYZJKDAJ-LBPRGKRZSA-N 0 3 325.239 3.810 20 30 EHEDHN N#CCc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000342702819 1026768615 /nfs/dbraw/zinc/76/86/15/1026768615.db2.gz ZRTDENNSKRHDHU-LJQANCHMSA-N 0 3 334.419 3.861 20 30 EHEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1cccc(N2CCCC2)c1 ZINC000342768283 1026990133 /nfs/dbraw/zinc/99/01/33/1026990133.db2.gz KGSOEGSYNOMVGU-MRXNPFEDSA-N 0 3 345.450 3.657 20 30 EHEDHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCC1(CC#N)CC1 ZINC000430037874 1027229369 /nfs/dbraw/zinc/22/93/69/1027229369.db2.gz AAXJLTPRVYQIRS-UHFFFAOYSA-N 0 3 330.382 3.551 20 30 EHEDHN Cc1ccc(N2CCN(CCCC3(C#N)CCOCC3)CC2)cc1C ZINC000282005561 1027547741 /nfs/dbraw/zinc/54/77/41/1027547741.db2.gz NXWNMKMRQMHJFA-UHFFFAOYSA-N 0 3 341.499 3.526 20 30 EHEDHN C[C@H](c1ccccc1)N(C)C(=O)CN(C)CCCCC(C)(C)C#N ZINC000503236415 1027675805 /nfs/dbraw/zinc/67/58/05/1027675805.db2.gz CCRAPZNBHDSKHX-QGZVFWFLSA-N 0 3 329.488 3.858 20 30 EHEDHN CCN(CCC#N)C(=O)CNC1(c2ccc(Cl)cc2)CCCCC1 ZINC000532689270 1028107299 /nfs/dbraw/zinc/10/72/99/1028107299.db2.gz VKFYIPATVAYLTC-UHFFFAOYSA-N 0 3 347.890 3.851 20 30 EHEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000523448455 1028345525 /nfs/dbraw/zinc/34/55/25/1028345525.db2.gz YLGNPICEOOJEDD-YLJYHZDGSA-N 0 3 327.472 3.530 20 30 EHEDHN N#Cc1cccc(CNC(=O)CN[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000532715384 1028411817 /nfs/dbraw/zinc/41/18/17/1028411817.db2.gz LINCUJQSRILRPC-QFIPXVFZSA-N 0 3 347.462 3.696 20 30 EHEDHN C=CCN(CC=C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000072879231 1028523102 /nfs/dbraw/zinc/52/31/02/1028523102.db2.gz YRTXKDAUBMXNQY-UHFFFAOYSA-N 0 3 329.469 3.501 20 30 EHEDHN C=CC[C@@H]1N(C(=O)NC2CCN(CC(=C)C)CC2)CCCC1(C)C ZINC000445090837 1028532724 /nfs/dbraw/zinc/53/27/24/1028532724.db2.gz ZVFJDDXHTYIANA-SFHVURJKSA-N 0 3 333.520 3.803 20 30 EHEDHN CC(C)Cc1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1 ZINC000424064421 1028783118 /nfs/dbraw/zinc/78/31/18/1028783118.db2.gz KBDLZNYMLMVHJU-MOPGFXCFSA-N 0 3 329.488 3.720 20 30 EHEDHN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424085527 1028789202 /nfs/dbraw/zinc/78/92/02/1028789202.db2.gz FXASZUZGUGWKDW-ZWKOTPCHSA-N 0 3 327.472 3.669 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000424090104 1028795296 /nfs/dbraw/zinc/79/52/96/1028795296.db2.gz JYOLNQCSPSSOLD-ROUUACIJSA-N 0 3 341.842 3.567 20 30 EHEDHN C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424099232 1028801438 /nfs/dbraw/zinc/80/14/38/1028801438.db2.gz UXHMSQKLWSCDIN-WBVHZDCISA-N 0 3 341.480 3.859 20 30 EHEDHN Cc1nn(Cc2ccccc2Cl)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424187188 1028874991 /nfs/dbraw/zinc/87/49/91/1028874991.db2.gz AJXIAVDVKHZNKS-DOTOQJQBSA-N 0 3 342.874 3.984 20 30 EHEDHN CC[C@H]1CN(C)c2ccccc2CN1Cc1ccc(C#N)cc1OC ZINC001167654045 1028922495 /nfs/dbraw/zinc/92/24/95/1028922495.db2.gz VOFXLYSLJKWMMV-IBGZPJMESA-N 0 3 335.451 3.797 20 30 EHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCOc3c(Br)cccc32)C1 ZINC000424324548 1028969953 /nfs/dbraw/zinc/96/99/53/1028969953.db2.gz KDSXDRWJJINOMV-YWPYICTPSA-N 0 3 335.245 3.945 20 30 EHEDHN COc1cc(CN[C@@H](C)c2cccc(-n3cccn3)c2)ccc1C#N ZINC000440818725 1028996071 /nfs/dbraw/zinc/99/60/71/1028996071.db2.gz AQHGGNYWZZRRLX-HNNXBMFYSA-N 0 3 332.407 3.603 20 30 EHEDHN C=CCNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000513882833 1029555727 /nfs/dbraw/zinc/55/57/27/1029555727.db2.gz QOMMQJVFWXVXJN-HNNXBMFYSA-N 0 3 343.393 3.574 20 30 EHEDHN C=CCCCCCN(C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000533288421 1029581325 /nfs/dbraw/zinc/58/13/25/1029581325.db2.gz HUJRGGSAXWGSSO-UHFFFAOYSA-N 0 3 339.483 3.731 20 30 EHEDHN CC[C@@H](NCc1ccc(-n2nc(C)cc2C)nc1)c1ccc(C#N)cc1 ZINC000278231350 1029748109 /nfs/dbraw/zinc/74/81/09/1029748109.db2.gz KKODUGZUNYUUDB-HXUWFJFHSA-N 0 3 345.450 3.997 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccco1 ZINC000343256448 1029945300 /nfs/dbraw/zinc/94/53/00/1029945300.db2.gz WKTYEWZZZAZCQX-DOMZBBRYSA-N 0 3 328.372 3.601 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)cc(N(C)C)cc2C)CC1 ZINC000157258060 1030333181 /nfs/dbraw/zinc/33/31/81/1030333181.db2.gz WXLJGGZAMCCPIA-UHFFFAOYSA-N 0 3 344.503 3.531 20 30 EHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccnc2ccccc12 ZINC000537637690 1030407095 /nfs/dbraw/zinc/40/70/95/1030407095.db2.gz LVGKLRHYXGBOBZ-UHFFFAOYSA-N 0 3 331.419 3.755 20 30 EHEDHN COc1cc(CN2CCC(Oc3cccc(C#N)c3)CC2)ccc1C ZINC000447741512 1030461135 /nfs/dbraw/zinc/46/11/35/1030461135.db2.gz NEHVMYJKZXAUSC-UHFFFAOYSA-N 0 3 336.435 3.919 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000537653000 1030861226 /nfs/dbraw/zinc/86/12/26/1030861226.db2.gz VIEOQZPHUXHGDN-LSDHHAIUSA-N 0 3 326.415 3.834 20 30 EHEDHN Fc1cccc(OC(F)(F)F)c1CNCCCOCC(F)(F)F ZINC000551188297 1031095435 /nfs/dbraw/zinc/09/54/35/1031095435.db2.gz GKTWBMSAVYHDCP-UHFFFAOYSA-N 0 3 349.246 3.783 20 30 EHEDHN C=C(C)[C@@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000583947560 1031187863 /nfs/dbraw/zinc/18/78/63/1031187863.db2.gz VOBKROIPEBTRGN-VQIMIIECSA-N 0 3 335.369 3.914 20 30 EHEDHN COc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1C ZINC000527811306 1031247642 /nfs/dbraw/zinc/24/76/42/1031247642.db2.gz LUUVJEKYFWPSDZ-UHFFFAOYSA-N 0 3 336.435 3.671 20 30 EHEDHN CC(C)Cc1ccc([C@H](N[C@H](C)C(=O)N(C)CCC#N)C2CC2)cc1 ZINC000343589236 1031516928 /nfs/dbraw/zinc/51/69/28/1031516928.db2.gz UVSTVCPEYAKNHG-UZLBHIALSA-N 0 3 341.499 3.686 20 30 EHEDHN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCC1 ZINC000343688477 1031953389 /nfs/dbraw/zinc/95/33/89/1031953389.db2.gz WXDXSYMVISCRIS-UHFFFAOYSA-N 0 3 333.863 3.851 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000598604404 1033334320 /nfs/dbraw/zinc/33/43/20/1033334320.db2.gz MZCOGTUTJJMCJK-MRXNPFEDSA-N 0 3 334.410 3.745 20 30 EHEDHN COc1ccc([C@@H](NC[C@H](O)CC(C)(C)C#N)c2ccccc2)cc1 ZINC000598625537 1033356937 /nfs/dbraw/zinc/35/69/37/1033356937.db2.gz RIAGFWRFLMEJAV-QUCCMNQESA-N 0 3 338.451 3.675 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cc(F)cc(C#N)c1)c1ccco1 ZINC000603070705 1033359848 /nfs/dbraw/zinc/35/98/48/1033359848.db2.gz RWVRDEVVBMXYMJ-BLLLJJGKSA-N 0 3 344.390 3.541 20 30 EHEDHN CC(C)C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594432524 1033369215 /nfs/dbraw/zinc/36/92/15/1033369215.db2.gz CJGUDPJZUWZCKE-IAGOWNOFSA-N 0 3 335.879 3.955 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000594432086 1033369601 /nfs/dbraw/zinc/36/96/01/1033369601.db2.gz XJGZPRHVWFZTOP-PMACEKPBSA-N 0 3 335.451 3.915 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000594425648 1033390218 /nfs/dbraw/zinc/39/02/18/1033390218.db2.gz AWDIRLULUFJOPK-LJQANCHMSA-N 0 3 327.472 3.759 20 30 EHEDHN Cn1c2ccccc2cc(CNCc2ccc(C(C)(C)C#N)cc2)c1=O ZINC000594521526 1033429755 /nfs/dbraw/zinc/42/97/55/1033429755.db2.gz SIGIGKKFBPWLEQ-UHFFFAOYSA-N 0 3 345.446 3.629 20 30 EHEDHN Cc1nsc(NC[C@@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC000309675109 1033471496 /nfs/dbraw/zinc/47/14/96/1033471496.db2.gz VZBGPCNWIDXJLT-INIZCTEOSA-N 0 3 326.469 3.647 20 30 EHEDHN CC(=O)N1CC[C@@H](NCc2ccc(C3(C#N)CC3)cc2)c2ccccc21 ZINC000594940255 1033589218 /nfs/dbraw/zinc/58/92/18/1033589218.db2.gz YNFCVIWXFHCNST-HXUWFJFHSA-N 0 3 345.446 3.829 20 30 EHEDHN C=CCOc1cccc(CNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000594982309 1033615649 /nfs/dbraw/zinc/61/56/49/1033615649.db2.gz CGESFFPJILJTQG-UHFFFAOYSA-N 0 3 348.446 3.919 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2scnc2C)cc1 ZINC000173985031 1033663657 /nfs/dbraw/zinc/66/36/57/1033663657.db2.gz LTQRVJGLBFJLGY-ABAIWWIYSA-N 0 3 341.436 3.926 20 30 EHEDHN C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000595259922 1033724283 /nfs/dbraw/zinc/72/42/83/1033724283.db2.gz QNIATDGWELOBSA-NQIIRXRSSA-N 0 3 349.478 3.668 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000574992574 1033754205 /nfs/dbraw/zinc/75/42/05/1033754205.db2.gz PKWVXKDVFFINGC-OAQYLSRUSA-N 0 3 348.450 3.653 20 30 EHEDHN Cc1ccc(CN2CCC(CC(=O)NC3CCCC3)CC2)cc1C#N ZINC000599274064 1033844019 /nfs/dbraw/zinc/84/40/19/1033844019.db2.gz XNENSDPQGDTYPS-UHFFFAOYSA-N 0 3 339.483 3.528 20 30 EHEDHN Cc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1C#N ZINC000599354532 1033889390 /nfs/dbraw/zinc/88/93/90/1033889390.db2.gz PVSUYZLZOYQLJG-NRFANRHFSA-N 0 3 334.419 3.879 20 30 EHEDHN CN(CCOc1cccc(C#N)c1)CCOc1ccccc1Cl ZINC000603836930 1033961790 /nfs/dbraw/zinc/96/17/90/1033961790.db2.gz JQUVPLIEZOAXIZ-UHFFFAOYSA-N 0 3 330.815 3.601 20 30 EHEDHN C=CCC1(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCC1 ZINC000595780237 1033995253 /nfs/dbraw/zinc/99/52/53/1033995253.db2.gz MNHPTRUXSNLOFO-UHFFFAOYSA-N 0 3 328.372 3.623 20 30 EHEDHN COC(=O)c1cnc(C2CCN(CCCCC(C)(C)C#N)CC2)s1 ZINC000599556000 1034010661 /nfs/dbraw/zinc/01/06/61/1034010661.db2.gz AVUKFXABEOAAPR-UHFFFAOYSA-N 0 3 349.500 3.829 20 30 EHEDHN CCN(CC)[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])c1ccco1 ZINC000450291216 1034062868 /nfs/dbraw/zinc/06/28/68/1034062868.db2.gz XXOPMLGXTGQHFG-HNNXBMFYSA-N 0 3 328.372 3.554 20 30 EHEDHN C=C(C)CN1CCC(Nc2nccc(-c3ccc(OC)cc3)n2)CC1 ZINC000450314742 1034095262 /nfs/dbraw/zinc/09/52/62/1034095262.db2.gz CSFLYCYFWOTBTP-UHFFFAOYSA-N 0 3 338.455 3.605 20 30 EHEDHN CCn1ncc(C(=O)C(C#N)c2ccc3ccccc3n2)c1C1CC1 ZINC000892427588 1034095712 /nfs/dbraw/zinc/09/57/12/1034095712.db2.gz OSUKLNRPEKTENZ-OAHLLOKOSA-N 0 3 330.391 3.819 20 30 EHEDHN CC[C@H](C)N[C@H](CNc1nc2ncccc2cc1C#N)c1ccco1 ZINC000596231604 1034129995 /nfs/dbraw/zinc/12/99/95/1034129995.db2.gz QQDIIQVNBNBHMK-XJKSGUPXSA-N 0 3 335.411 3.636 20 30 EHEDHN C=C(C)CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000456127042 1034149698 /nfs/dbraw/zinc/14/96/98/1034149698.db2.gz YMGANPGSRKLLGK-KRWDZBQOSA-N 0 3 340.389 3.523 20 30 EHEDHN COCCOc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594518523 1034612443 /nfs/dbraw/zinc/61/24/43/1034612443.db2.gz HHHZKQCSZVDUSX-UHFFFAOYSA-N 0 3 336.435 3.752 20 30 EHEDHN CC1(C)CC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)OC1 ZINC000892493114 1034886114 /nfs/dbraw/zinc/88/61/14/1034886114.db2.gz BUATUJQRXRHAFC-GJZGRUSLSA-N 0 3 348.830 3.583 20 30 EHEDHN CC1(C)CO[C@H](CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000892493913 1034898409 /nfs/dbraw/zinc/89/84/09/1034898409.db2.gz VIULFQVKGFJJIU-HUUCEWRRSA-N 0 3 348.830 3.583 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN(C)[C@H](C)C(C)C)ccc1Cl ZINC000347354808 1034906458 /nfs/dbraw/zinc/90/64/58/1034906458.db2.gz GKENRITUWSVTNS-OAHLLOKOSA-N 0 3 335.879 3.871 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2o1 ZINC000065931167 1034956640 /nfs/dbraw/zinc/95/66/40/1034956640.db2.gz CLIPQGZCXCINMY-UHFFFAOYSA-N 0 3 347.418 3.508 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccccc1C)Cc1cccc(C#N)c1 ZINC000173260029 1035564153 /nfs/dbraw/zinc/56/41/53/1035564153.db2.gz AQBNZNQOHMQLRO-UHFFFAOYSA-N 0 3 333.435 3.884 20 30 EHEDHN N#CC(C(=O)C=Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129630232 1035803984 /nfs/dbraw/zinc/80/39/84/1035803984.db2.gz SMZXDHJRTRKCGP-TXNVCOODSA-N 0 3 349.173 3.947 20 30 EHEDHN Cn1cc([C@H]2CN(Cc3ccc(C#N)cc3Cl)CC2(C)C)cn1 ZINC000582554900 1035885537 /nfs/dbraw/zinc/88/55/37/1035885537.db2.gz XNAWFOXQPOWRLX-MRXNPFEDSA-N 0 3 328.847 3.571 20 30 EHEDHN Cc1oc(NC(=O)CN[C@@H](c2ccccc2C)C2CC2)c(C#N)c1C ZINC000272092385 1036237830 /nfs/dbraw/zinc/23/78/30/1036237830.db2.gz YCTBHHVQIOFHNS-LJQANCHMSA-N 0 3 337.423 3.756 20 30 EHEDHN C[C@H](NC1(C2CC2)CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541595850 1036481214 /nfs/dbraw/zinc/48/12/14/1036481214.db2.gz ZZSZNASIXMUJQS-LBPRGKRZSA-N 0 3 343.496 3.748 20 30 EHEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1c1ncc(C#N)cc1Cl ZINC000610468801 1036752683 /nfs/dbraw/zinc/75/26/83/1036752683.db2.gz BCFXWOSLBZYFGH-OAHLLOKOSA-N 0 3 340.858 3.707 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464776781 1036768863 /nfs/dbraw/zinc/76/88/63/1036768863.db2.gz SOWNZYYVOACODO-QZTJIDSGSA-N 0 3 346.540 3.914 20 30 EHEDHN CC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000271706991 1036960605 /nfs/dbraw/zinc/96/06/05/1036960605.db2.gz UMODKUPWYLLMBD-GUYCJALGSA-N 0 3 325.412 3.836 20 30 EHEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000352889308 1037496023 /nfs/dbraw/zinc/49/60/23/1037496023.db2.gz XZDGKEIEBLSLEM-XJKSGUPXSA-N 0 3 338.398 3.675 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000532578985 1037692060 /nfs/dbraw/zinc/69/20/60/1037692060.db2.gz YDCSXGPHPLVCHW-GPMSIDNRSA-N 0 3 333.435 3.763 20 30 EHEDHN CC(C)(C#N)CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132926 1037842267 /nfs/dbraw/zinc/84/22/67/1037842267.db2.gz PTOUJEONAWAZCA-QAQDUYKDSA-N 0 3 345.443 3.640 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c(Br)c1 ZINC000592134905 1037843754 /nfs/dbraw/zinc/84/37/54/1037843754.db2.gz SGYAAVOFDQOCDP-NVXWUHKLSA-N 0 3 349.272 3.712 20 30 EHEDHN N#CCCC[C@H](NC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1 ZINC000416013644 1037870646 /nfs/dbraw/zinc/87/06/46/1037870646.db2.gz RVUYELPVIFDPKP-IBGZPJMESA-N 0 3 334.423 3.846 20 30 EHEDHN COCCN(CCOc1c(C)cccc1C)Cc1ccc(C#N)cc1 ZINC000058397887 1037900974 /nfs/dbraw/zinc/90/09/74/1037900974.db2.gz GYGFRVSEFAENRB-UHFFFAOYSA-N 0 3 338.451 3.703 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC(C)C)cc2C)CC1 ZINC000592336120 1037926273 /nfs/dbraw/zinc/92/62/73/1037926273.db2.gz SMMRKTMVWOKMSJ-UHFFFAOYSA-N 0 3 345.487 3.944 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2C)C2CC2)CC1 ZINC000592351760 1037931904 /nfs/dbraw/zinc/93/19/04/1037931904.db2.gz NAQRDPABWRXTKS-UHFFFAOYSA-N 0 3 341.499 3.710 20 30 EHEDHN COc1cc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)ccc1C#N ZINC000592527076 1038023832 /nfs/dbraw/zinc/02/38/32/1038023832.db2.gz DZFDPOMIRSMLMG-NRFANRHFSA-N 0 3 348.446 3.726 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000540556724 1038094025 /nfs/dbraw/zinc/09/40/25/1038094025.db2.gz MZWSJXFKPZTBKW-HZPDHXFCSA-N 0 3 335.517 3.929 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000540556722 1038095692 /nfs/dbraw/zinc/09/56/92/1038095692.db2.gz MZWSJXFKPZTBKW-CVEARBPZSA-N 0 3 335.517 3.929 20 30 EHEDHN C[C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1cccc(C#N)c1 ZINC000461749830 1038591390 /nfs/dbraw/zinc/59/13/90/1038591390.db2.gz YELIGJSVRSSWFY-LAUBAEHRSA-N 0 3 347.462 3.615 20 30 EHEDHN C[C@@H](C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000461889643 1038662155 /nfs/dbraw/zinc/66/21/55/1038662155.db2.gz MSHNEHIGHFKAJP-DYESRHJHSA-N 0 3 347.462 3.615 20 30 EHEDHN CC(C)Oc1ccc([C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000539264856 1038756132 /nfs/dbraw/zinc/75/61/32/1038756132.db2.gz FLQDHHVTEINPKZ-RZQQEMMASA-N 0 3 345.487 3.567 20 30 EHEDHN Cc1cccc2c1CC[C@H]2N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485332246 1038920248 /nfs/dbraw/zinc/92/02/48/1038920248.db2.gz QNGKALJXPJYJLT-NHCUHLMSSA-N 0 3 345.446 3.639 20 30 EHEDHN C#CCOc1ccccc1CNC[C@H](c1ccco1)N1CCCCC1 ZINC000236687918 1039232934 /nfs/dbraw/zinc/23/29/34/1039232934.db2.gz ASWVNUHZGNYOLB-LJQANCHMSA-N 0 3 338.451 3.608 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000912276478 1039794478 /nfs/dbraw/zinc/79/44/78/1039794478.db2.gz XIBWVPBVHPKACB-MRXNPFEDSA-N 0 3 331.460 3.588 20 30 EHEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000912481891 1039939468 /nfs/dbraw/zinc/93/94/68/1039939468.db2.gz DPKNUWMRQSSWTG-INIZCTEOSA-N 0 3 332.444 3.639 20 30 EHEDHN CC[C@@H](C)N[C@H](CNC(=O)c1c(C)cc(C#N)cc1C)c1ccco1 ZINC000899075930 1039995897 /nfs/dbraw/zinc/99/58/97/1039995897.db2.gz IFYTWWIGYZWNQS-NVXWUHKLSA-N 0 3 339.439 3.627 20 30 EHEDHN C[C@H](NC(=O)[C@@]1(C#N)CC2CCC1CC2)[C@H](c1ccccc1)N(C)C ZINC000907446788 1040061634 /nfs/dbraw/zinc/06/16/34/1040061634.db2.gz KGIVCBGJPVQWHX-ZGBITCGHSA-N 0 3 339.483 3.514 20 30 EHEDHN N#Cc1cccc(NC(=O)C2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000512580706 1040196489 /nfs/dbraw/zinc/19/64/89/1040196489.db2.gz CZPADVQXSIFQCV-UITAMQMPSA-N 0 3 345.446 3.922 20 30 EHEDHN CC1=C(C)C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000573685943 1040205599 /nfs/dbraw/zinc/20/55/99/1040205599.db2.gz RJEXRRZTMTWZLS-FQEVSTJZSA-N 0 3 339.483 3.585 20 30 EHEDHN CN1CCN(Cc2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000614177135 1040378455 /nfs/dbraw/zinc/37/84/55/1040378455.db2.gz MHMUYHUOSRFUIQ-OAQYLSRUSA-N 0 3 333.479 3.976 20 30 EHEDHN C=CC[C@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000490204897 1040388817 /nfs/dbraw/zinc/38/88/17/1040388817.db2.gz RZHCGJIPQDMUFX-COPCDDAFSA-N 0 3 348.490 3.983 20 30 EHEDHN COc1cccc(O[C@H](C)CN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512659341 1040438199 /nfs/dbraw/zinc/43/81/99/1040438199.db2.gz FXKJZCLXKVTMFZ-ZIAGYGMSSA-N 0 3 328.387 3.824 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000433008601 1040439524 /nfs/dbraw/zinc/43/95/24/1040439524.db2.gz DSNAQUWIVPQGOH-IBGZPJMESA-N 0 3 332.407 3.522 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000433019939 1040466622 /nfs/dbraw/zinc/46/66/22/1040466622.db2.gz LPPKRCMUACAYAK-IBGZPJMESA-N 0 3 332.407 3.522 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000433029399 1040499630 /nfs/dbraw/zinc/49/96/30/1040499630.db2.gz GKHVHAHZRSMXEY-SFHVURJKSA-N 0 3 343.377 3.928 20 30 EHEDHN C[C@@H]1CCC[C@H](NC(=O)CN[C@@H](CCCC#N)c2ccccc2)[C@@H]1C ZINC000433029603 1040503922 /nfs/dbraw/zinc/50/39/22/1040503922.db2.gz HCCOFVOYYGPVCL-JYBIWHBTSA-N 0 3 341.499 3.952 20 30 EHEDHN CC(C)(C)[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000053618095 1041003624 /nfs/dbraw/zinc/00/36/24/1041003624.db2.gz QEKFRCMVAGOPQF-MRXNPFEDSA-N 0 3 327.453 3.935 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2CCC2CCCC2)CC1 ZINC000487672240 1041026164 /nfs/dbraw/zinc/02/61/64/1041026164.db2.gz GVBRQOCJJXHDDG-IBGZPJMESA-N 0 3 333.520 3.781 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1-n1ccnn1 ZINC000586794331 1041027633 /nfs/dbraw/zinc/02/76/33/1041027633.db2.gz ZSVBVVQKJQFEJJ-CYBMUJFWSA-N 0 3 337.814 3.643 20 30 EHEDHN CC(C)[C@H]1CCc2ccccc2[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000570929041 1041135565 /nfs/dbraw/zinc/13/55/65/1041135565.db2.gz ZYWYVFJLKABJKS-UYAOXDASSA-N 0 3 345.450 3.650 20 30 EHEDHN Cc1cscc1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000433338132 1041314043 /nfs/dbraw/zinc/31/40/43/1041314043.db2.gz FWERFTRCGAWDFG-UHFFFAOYSA-N 0 3 337.452 3.519 20 30 EHEDHN C=CC1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000511680968 1041456146 /nfs/dbraw/zinc/45/61/46/1041456146.db2.gz JUXOBWTVUBTAEC-SFHVURJKSA-N 0 3 348.437 3.568 20 30 EHEDHN CCOCCCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000047613561 1041747059 /nfs/dbraw/zinc/74/70/59/1041747059.db2.gz AOJIUEDGZJXQAV-UHFFFAOYSA-N 0 3 333.435 3.859 20 30 EHEDHN C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000595259924 1042179890 /nfs/dbraw/zinc/17/98/90/1042179890.db2.gz QNIATDGWELOBSA-WIYYLYMNSA-N 0 3 349.478 3.668 20 30 EHEDHN C=C1CCC(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC001126245279 1042754213 /nfs/dbraw/zinc/75/42/13/1042754213.db2.gz YDJMHYDXOIKUTB-GOSISDBHSA-N 0 3 326.484 3.856 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(COc2ccccc2)CC1 ZINC000065612973 1042763747 /nfs/dbraw/zinc/76/37/47/1042763747.db2.gz KVPJLQUZQHSUHK-GOSISDBHSA-N 0 3 344.499 3.591 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCc2ccccc2)cc1 ZINC000105263040 1042816237 /nfs/dbraw/zinc/81/62/37/1042816237.db2.gz INRSXLIAIDVZQF-IBGZPJMESA-N 0 3 334.419 3.919 20 30 EHEDHN C=CCCCCCCN1CC2(C1)CCN(C(=O)CC1(OC)CCC1)C2 ZINC001279272341 1043614513 /nfs/dbraw/zinc/61/45/13/1043614513.db2.gz ZBCZTTKUAJQTMK-UHFFFAOYSA-N 0 3 348.531 3.616 20 30 EHEDHN C=CC[C@H](C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1 ZINC000187352348 1043950060 /nfs/dbraw/zinc/95/00/60/1043950060.db2.gz WMBGRTLIZDBCNP-ACRUOGEOSA-N 0 3 334.463 3.908 20 30 EHEDHN C#CCN(C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C)C1CC1 ZINC000763948629 1126952505 /nfs/dbraw/zinc/95/25/05/1126952505.db2.gz CGSKNXVIWIIILB-JTHBVZDNSA-N 0 3 349.474 3.560 20 30 EHEDHN C=CCOc1c(Cl)cc(CNCCOC(F)(F)F)cc1OC ZINC000623505186 1126972194 /nfs/dbraw/zinc/97/21/94/1126972194.db2.gz SFEVJSDJRUTEGL-UHFFFAOYSA-N 0 3 339.741 3.539 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000073012065 1126975012 /nfs/dbraw/zinc/97/50/12/1126975012.db2.gz YFEOJQPHRVNXIW-KRWDZBQOSA-N 0 3 341.430 3.862 20 30 EHEDHN C[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000181354461 1127274561 /nfs/dbraw/zinc/27/45/61/1127274561.db2.gz WPRBNKXSDNFIGI-RXCRORICSA-N 0 3 327.472 3.657 20 30 EHEDHN C[C@@H]1CC(N=Nc2ncnc3ccsc32)CN1Cc1ccccc1 ZINC000764839978 1127540957 /nfs/dbraw/zinc/54/09/57/1127540957.db2.gz DIBAEGNAZZCJTK-CYBMUJFWSA-N 0 3 337.452 3.754 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000765038210 1127564815 /nfs/dbraw/zinc/56/48/15/1127564815.db2.gz QKWBNJSOUOWYOZ-CVEARBPZSA-N 0 3 348.446 3.995 20 30 EHEDHN C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)[C@H](c1ccccc1)N(C)C ZINC000888365040 1127952708 /nfs/dbraw/zinc/95/27/08/1127952708.db2.gz WZECYOGFDZFQIO-FZKQIMNGSA-N 0 3 340.402 3.510 20 30 EHEDHN CC(C)(C)CCN1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000301310079 1128583086 /nfs/dbraw/zinc/58/30/86/1128583086.db2.gz YSFLMSUSLSJCGX-UHFFFAOYSA-N 0 3 340.393 3.530 20 30 EHEDHN COc1ccccc1NC(=O)C[C@@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000272185716 1120523501 /nfs/dbraw/zinc/52/35/01/1120523501.db2.gz GMEFFFMPPDAMQR-OAHLLOKOSA-N 0 3 349.434 3.563 20 30 EHEDHN N#C[C@H]1CCC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000494446809 1120560885 /nfs/dbraw/zinc/56/08/85/1120560885.db2.gz PCNAQXSGDAFCAT-GWCFXTLKSA-N 0 3 327.306 3.786 20 30 EHEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000250127675 1120954698 /nfs/dbraw/zinc/95/46/98/1120954698.db2.gz WMBGRTLIZDBCNP-PWRODBHTSA-N 0 3 334.463 3.908 20 30 EHEDHN CCN(CC)[C@H](C/N=C\c1c(O)cccc1OC)c1ccsc1 ZINC000915114078 1121200223 /nfs/dbraw/zinc/20/02/23/1121200223.db2.gz BVKIDUAUQCWHMT-VXIUPONVSA-N 0 3 332.469 3.964 20 30 EHEDHN C[C@@H](CC(=O)N(C)c1ccccc1)NC1(c2cccc(C#N)c2)CC1 ZINC000272311813 1121516163 /nfs/dbraw/zinc/51/61/63/1121516163.db2.gz TYVZQFSRORJMFI-INIZCTEOSA-N 0 3 333.435 3.579 20 30 EHEDHN C[C@H](C/N=C/c1cc(Br)ccc1[O-])[NH+]1CCCCCC1 ZINC000915978850 1122003921 /nfs/dbraw/zinc/00/39/21/1122003921.db2.gz BABCWSXWNCVPIR-RNEAKCBISA-N 0 3 339.277 3.838 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OCC)c(OC)c2)cc1 ZINC000153838388 1122045374 /nfs/dbraw/zinc/04/53/74/1122045374.db2.gz XXYSHUPSALPSSM-INIZCTEOSA-N 0 3 339.435 3.957 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000916878442 1122378008 /nfs/dbraw/zinc/37/80/08/1122378008.db2.gz WTATVPPOAMOBDH-CRAIPNDOSA-N 0 3 344.455 3.593 20 30 EHEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000917100601 1122499966 /nfs/dbraw/zinc/49/99/66/1122499966.db2.gz SHHPFVQKIKCGBH-QLFBSQMISA-N 0 3 341.480 3.983 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2[C@H](C)c2ccccc2)CC1 ZINC000917137103 1122530747 /nfs/dbraw/zinc/53/07/47/1122530747.db2.gz LSBLCKACJPSDQM-YLJYHZDGSA-N 0 3 341.499 3.615 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)CC1 ZINC000917137101 1122531180 /nfs/dbraw/zinc/53/11/80/1122531180.db2.gz LSBLCKACJPSDQM-PXNSSMCTSA-N 0 3 341.499 3.615 20 30 EHEDHN C=CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)C(C)C ZINC000918062332 1122743704 /nfs/dbraw/zinc/74/37/04/1122743704.db2.gz QNMIIAGJWODKIN-IBGZPJMESA-N 0 3 347.503 3.684 20 30 EHEDHN CN1CCC[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 ZINC000918548566 1122844338 /nfs/dbraw/zinc/84/43/38/1122844338.db2.gz XKCOTLZJFNTIOZ-VQTJNVASSA-N 0 3 348.450 3.558 20 30 EHEDHN C[C@H]1CCC[C@@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000499042593 1123168303 /nfs/dbraw/zinc/16/83/03/1123168303.db2.gz GLJVDQSHNZLVLG-ZWKOTPCHSA-N 0 3 341.499 3.665 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H](C)OCC(C)C)cc1 ZINC000920791700 1123424358 /nfs/dbraw/zinc/42/43/58/1123424358.db2.gz CYBFZYMGNYPACK-MPGHIAIKSA-N 0 3 344.455 3.909 20 30 EHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000076735312 1123516799 /nfs/dbraw/zinc/51/67/99/1123516799.db2.gz QMFPVEVSPLWQQA-ZDUSSCGKSA-N 0 3 339.277 3.983 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000610134098 1123739232 /nfs/dbraw/zinc/73/92/32/1123739232.db2.gz BAEKAANFYSOZPC-UWJYYQICSA-N 0 3 341.499 3.904 20 30 EHEDHN C[C@@H](c1ccccc1F)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000067975231 1123797993 /nfs/dbraw/zinc/79/79/93/1123797993.db2.gz DLXVJPFYXAGLHW-AWEZNQCLSA-N 0 3 325.387 3.719 20 30 EHEDHN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247967447 1124632182 /nfs/dbraw/zinc/63/21/82/1124632182.db2.gz DXMRNMNJZWBBEI-LEWJYISDSA-N 0 3 349.478 3.830 20 30 EHEDHN C[C@@H](NCc1cccc(N2CCCC2=O)c1)c1ccc(OCC#N)cc1 ZINC000181497727 1124899332 /nfs/dbraw/zinc/89/93/32/1124899332.db2.gz RSVSLIOQBIRMJH-MRXNPFEDSA-N 0 3 349.434 3.567 20 30 EHEDHN C[C@](C#N)(NC(=O)CN1CCC[C@H]1c1cccc2ccccc21)C1CC1 ZINC000253357410 1125144691 /nfs/dbraw/zinc/14/46/91/1125144691.db2.gz ADUONHYBEGFUTH-RBBKRZOGSA-N 0 3 347.462 3.785 20 30 EHEDHN C[S@@](=O)c1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000619508585 1125354660 /nfs/dbraw/zinc/35/46/60/1125354660.db2.gz NMNMUIRCOPTTDX-GBXCKJPGSA-N 0 3 338.476 3.853 20 30 EHEDHN N#CC1(c2ccccn2)CCN(C[C@@H]2CCOc3ccccc32)CC1 ZINC000619726359 1125390466 /nfs/dbraw/zinc/39/04/66/1125390466.db2.gz VSTFZAWUBDTDAP-KRWDZBQOSA-N 0 3 333.435 3.505 20 30 EHEDHN C=CCCCN(CC)CC(=O)Nc1ccc(Br)cc1 ZINC000735492627 1131353071 /nfs/dbraw/zinc/35/30/71/1131353071.db2.gz PDYYACNPWPVPFD-UHFFFAOYSA-N 0 3 325.250 3.676 20 30 EHEDHN C#Cc1cccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000076097268 1125420889 /nfs/dbraw/zinc/42/08/89/1125420889.db2.gz WOHDOUCHNYOBKJ-HXUWFJFHSA-N 0 3 333.435 3.627 20 30 EHEDHN C=CCN1CCC(NC(=O)NC(C2CCCC2)C2CCCC2)CC1 ZINC000735582685 1131359029 /nfs/dbraw/zinc/35/90/29/1131359029.db2.gz ZQTAAJMABLRSNW-UHFFFAOYSA-N 0 3 333.520 3.685 20 30 EHEDHN C[C@@H](CNCc1cc(C#N)ccc1Br)c1ccccn1 ZINC000922234683 1129385732 /nfs/dbraw/zinc/38/57/32/1129385732.db2.gz MKLSPDYHXDQVTB-LBPRGKRZSA-N 0 3 330.229 3.609 20 30 EHEDHN COc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)c(C)c1 ZINC000922252851 1129404680 /nfs/dbraw/zinc/40/46/80/1129404680.db2.gz FVBDYQBTTJQOQN-UHFFFAOYSA-N 0 3 336.435 3.671 20 30 EHEDHN CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000081189151 1129405817 /nfs/dbraw/zinc/40/58/17/1129405817.db2.gz HYFCTEDJVUOBIP-FQEVSTJZSA-N 0 3 348.450 3.687 20 30 EHEDHN Cc1csc(C2(NCCOc3ccc(C#N)cc3)CCCC2)n1 ZINC000081595464 1129431044 /nfs/dbraw/zinc/43/10/44/1129431044.db2.gz QFWCRCFXTIUFNR-UHFFFAOYSA-N 0 3 327.453 3.761 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3c[nH]c4ccccc34)nc21 ZINC000735791379 1131379880 /nfs/dbraw/zinc/37/98/80/1131379880.db2.gz XQVLUPFQMFKJQP-HNNXBMFYSA-N 0 3 328.375 3.772 20 30 EHEDHN COc1cc(OC)cc(OCCCN(C)Cc2cc(C#N)cs2)c1 ZINC000091924105 1129528000 /nfs/dbraw/zinc/52/80/00/1129528000.db2.gz PGDOIMHFDZQWRR-UHFFFAOYSA-N 0 3 346.452 3.538 20 30 EHEDHN N#Cc1ccc(OC2CCC(NCc3c(F)cccc3F)CC2)nc1 ZINC000092854505 1129564908 /nfs/dbraw/zinc/56/49/08/1129564908.db2.gz POKGLRMWAZWZIX-UHFFFAOYSA-N 0 3 343.377 3.711 20 30 EHEDHN C=CC[C@@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)c1ccncc1 ZINC000766019110 1129803926 /nfs/dbraw/zinc/80/39/26/1129803926.db2.gz KCZGOUSKMBQDHG-LAUBAEHRSA-N 0 3 337.467 3.886 20 30 EHEDHN COc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1C ZINC000509153722 1129860384 /nfs/dbraw/zinc/86/03/84/1129860384.db2.gz OFVBNKFBWFHMAK-UHFFFAOYSA-N 0 3 335.451 3.588 20 30 EHEDHN CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(CC#N)cc1 ZINC000074041433 1129943663 /nfs/dbraw/zinc/94/36/63/1129943663.db2.gz RBAYLELJBNWLFX-UHFFFAOYSA-N 0 3 333.391 3.813 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C2CCC2)C2CCC2)c1C ZINC000429194348 1129950793 /nfs/dbraw/zinc/95/07/93/1129950793.db2.gz YTCNZQDONSMMAO-UHFFFAOYSA-N 0 3 339.483 3.957 20 30 EHEDHN C[C@@H]1CCC[C@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000731213077 1130777814 /nfs/dbraw/zinc/77/78/14/1130777814.db2.gz HDMHPPACZIVMRT-MJBXVCDLSA-N 0 3 327.453 3.735 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccccc1F ZINC000731411375 1130796245 /nfs/dbraw/zinc/79/62/45/1130796245.db2.gz XFBDRVCPGWOABA-WCQYABFASA-N 0 3 344.773 3.930 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccsc1 ZINC000739155740 1131493867 /nfs/dbraw/zinc/49/38/67/1131493867.db2.gz UQLVLXGFWVLSIM-CMPLNLGQSA-N 0 3 332.812 3.853 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(OCCC(C)C)c2)CC1 ZINC000739661401 1131508884 /nfs/dbraw/zinc/50/88/84/1131508884.db2.gz QGADGOGSBVRUSO-UHFFFAOYSA-N 0 3 342.483 3.704 20 30 EHEDHN C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H]1C ZINC000741790734 1131648372 /nfs/dbraw/zinc/64/83/72/1131648372.db2.gz LBQGNKZJGTZCRQ-HZSPNIEDSA-N 0 3 327.453 3.593 20 30 EHEDHN C[C@H](CCCC#N)N1CC(c2ncn3cc(Br)ccc23)C1 ZINC001172498519 1131759741 /nfs/dbraw/zinc/75/97/41/1131759741.db2.gz NUXZWERWRLTYLH-GFCCVEGCSA-N 0 3 347.260 3.578 20 30 EHEDHN C[C@H](CCCC#N)N1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001172505295 1131762001 /nfs/dbraw/zinc/76/20/01/1131762001.db2.gz LHPLWIZTOKCUDQ-CQSZACIVSA-N 0 3 341.377 3.790 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1scnc1C ZINC000744029798 1132006360 /nfs/dbraw/zinc/00/63/60/1132006360.db2.gz VRVXQTHUSLWUFA-AWEZNQCLSA-N 0 3 341.436 3.538 20 30 EHEDHN CC[C@@]1(C)CCCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000744420878 1132087978 /nfs/dbraw/zinc/08/79/78/1132087978.db2.gz WJKDDKDMTGCDTE-KKSFZXQISA-N 0 3 348.450 3.736 20 30 EHEDHN CC(C)(C)OC(=O)N1CC2(C1)CCCCN2C1CCC(C)(C#N)CC1 ZINC001173594309 1132099028 /nfs/dbraw/zinc/09/90/28/1132099028.db2.gz YVGZBOFJDNKWRR-UHFFFAOYSA-N 0 3 347.503 3.934 20 30 EHEDHN CC1(C#N)CCC(N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001173596142 1132099966 /nfs/dbraw/zinc/09/99/66/1132099966.db2.gz LEJULATURFRNDB-UHFFFAOYSA-N 0 3 331.891 3.930 20 30 EHEDHN CN(C)Cc1ccccc1Nc1c(C#N)cnnc1-c1ccccc1 ZINC001173928920 1132188251 /nfs/dbraw/zinc/18/82/51/1132188251.db2.gz PTOZLZSYELBZDP-UHFFFAOYSA-N 0 3 329.407 3.820 20 30 EHEDHN C#CCC1(C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)CCCCC1 ZINC001169150952 1132679269 /nfs/dbraw/zinc/67/92/69/1132679269.db2.gz XIRWWIOLKBVMKV-HXUWFJFHSA-N 0 3 338.495 3.659 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@]2(C)CCO[C@H]2C2CC2)c([O-])c1 ZINC000767336424 1132983181 /nfs/dbraw/zinc/98/31/81/1132983181.db2.gz FACATIWWUXEHTK-LAAGDHCCSA-N 0 3 330.472 3.863 20 30 EHEDHN COCC[C@@H]1CCCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000767938329 1133073763 /nfs/dbraw/zinc/07/37/63/1133073763.db2.gz ADZRMGWAPJRQRZ-HNNXBMFYSA-N 0 3 336.863 3.881 20 30 EHEDHN CC(C)(C#N)c1ccc(CNCc2ccnc(OCC3CC3)c2)cc1 ZINC001177674066 1133091108 /nfs/dbraw/zinc/09/11/08/1133091108.db2.gz JYSRRJYDRCSTOC-UHFFFAOYSA-N 0 3 335.451 3.961 20 30 EHEDHN C=CCCC[C@@H](NCc1ccc(C(=O)OC)n1C)c1ccccc1 ZINC001179458295 1133253178 /nfs/dbraw/zinc/25/31/78/1133253178.db2.gz RCZUMVMFTASNEQ-GOSISDBHSA-N 0 3 326.440 3.999 20 30 EHEDHN C#CCOc1ccc(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC000770333031 1133406251 /nfs/dbraw/zinc/40/62/51/1133406251.db2.gz VOMCUIANRBRUKT-SFHVURJKSA-N 0 3 343.467 3.642 20 30 EHEDHN CCOc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000770380519 1133416664 /nfs/dbraw/zinc/41/66/64/1133416664.db2.gz NKRZNCXYLUPTOQ-UHFFFAOYSA-N 0 3 334.419 3.952 20 30 EHEDHN CCOc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000770380519 1133416668 /nfs/dbraw/zinc/41/66/68/1133416668.db2.gz NKRZNCXYLUPTOQ-UHFFFAOYSA-N 0 3 334.419 3.952 20 30 EHEDHN CCCC(=CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)CCC ZINC000770717595 1133461274 /nfs/dbraw/zinc/46/12/74/1133461274.db2.gz UWQHDKPXCHFYRP-UHFFFAOYSA-N 0 3 341.499 3.975 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001204302139 1133504698 /nfs/dbraw/zinc/50/46/98/1133504698.db2.gz DAPBSBADWGHCLP-KRWDZBQOSA-N 0 3 331.456 3.805 20 30 EHEDHN [O-]c1ccc(Cl)cc1/C=N/CC1CCN(c2cc[nH+]cc2)CC1 ZINC000771519740 1133569217 /nfs/dbraw/zinc/56/92/17/1133569217.db2.gz HLNOFICRQZFAAW-FYJGNVAPSA-N 0 3 329.831 3.776 20 30 EHEDHN CSC=CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000771583271 1133573855 /nfs/dbraw/zinc/57/38/55/1133573855.db2.gz SEOGBDXBBTXMOM-XNPJLODASA-N 0 3 329.208 3.517 20 30 EHEDHN C#CCOc1cccc(-c2noc([C@@H](C)N3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000785585674 1133723327 /nfs/dbraw/zinc/72/33/27/1133723327.db2.gz MZEOQGOXXWOLDY-QLFBSQMISA-N 0 3 325.412 3.682 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000786295570 1133828688 /nfs/dbraw/zinc/82/86/88/1133828688.db2.gz FFEUFPGAUAUCJE-IJLUTSLNSA-N 0 3 338.860 3.520 20 30 EHEDHN C=CCCC(C)(C)CNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC001184110405 1133894464 /nfs/dbraw/zinc/89/44/64/1133894464.db2.gz ZMBZSJZEBJXWEH-SFHVURJKSA-N 0 3 332.488 3.843 20 30 EHEDHN C#CCC1(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CCCCC1 ZINC000788238537 1134098311 /nfs/dbraw/zinc/09/83/11/1134098311.db2.gz PHFVQFCVUBOGSO-GOSISDBHSA-N 0 3 326.484 3.597 20 30 EHEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000789449606 1134276354 /nfs/dbraw/zinc/27/63/54/1134276354.db2.gz IAIANINAKPHHBJ-BARDWOONSA-N 0 3 341.480 3.839 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2(OC)CCC2)cc1 ZINC000791773151 1134599338 /nfs/dbraw/zinc/59/93/38/1134599338.db2.gz ITTINUDIKUHQAZ-WMLDXEAASA-N 0 3 342.439 3.807 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2(OC)CCC2)cc1 ZINC000791773150 1134599401 /nfs/dbraw/zinc/59/94/01/1134599401.db2.gz ITTINUDIKUHQAZ-RHSMWYFYSA-N 0 3 342.439 3.807 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000796738629 1134683768 /nfs/dbraw/zinc/68/37/68/1134683768.db2.gz LSTXPBLMGSQXOC-IJLUTSLNSA-N 0 3 335.329 3.728 20 30 EHEDHN N#Cc1ccc(NC(=O)CN(C2CC2)C2CCCCC2)cc1Cl ZINC001190517782 1134710805 /nfs/dbraw/zinc/71/08/05/1134710805.db2.gz BCTDFDGUDRPRHA-UHFFFAOYSA-N 0 3 331.847 3.947 20 30 EHEDHN C=CCCCCCN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001191134512 1134809223 /nfs/dbraw/zinc/80/92/23/1134809223.db2.gz YVRXRDNIOHUGIE-QPIRBTGLSA-N 0 3 333.520 3.984 20 30 EHEDHN C[C@]12CCN(CCCOc3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl ZINC000792912122 1134822925 /nfs/dbraw/zinc/82/29/25/1134822925.db2.gz YFTDZWPHCSDQJC-CVEARBPZSA-N 0 3 339.266 3.843 20 30 EHEDHN C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000804457492 1135074674 /nfs/dbraw/zinc/07/46/74/1135074674.db2.gz YCKBRXRJWPDACT-JOCHJYFZSA-N 0 3 346.474 3.647 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H](Cn3cnc4ccccc43)C2)s1 ZINC001193507768 1135148446 /nfs/dbraw/zinc/14/84/46/1135148446.db2.gz KROLKAXFBHCPJA-HNNXBMFYSA-N 0 3 336.464 3.882 20 30 EHEDHN CC(C)(C#N)CCN1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805827080 1135338285 /nfs/dbraw/zinc/33/82/85/1135338285.db2.gz MRTWFLQPLKMTRU-KRWDZBQOSA-N 0 3 335.492 3.840 20 30 EHEDHN CN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C(C)(C)C ZINC001195677862 1135449611 /nfs/dbraw/zinc/44/96/11/1135449611.db2.gz QLZGJFKMBJPDIR-INIZCTEOSA-N 0 3 339.405 3.739 20 30 EHEDHN C#Cc1cccc(NC(=S)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000806609840 1135469839 /nfs/dbraw/zinc/46/98/39/1135469839.db2.gz SQCYDPYECAIDDH-OXQOHEQNSA-N 0 3 349.503 3.617 20 30 EHEDHN N#Cc1ccccc1NC(=S)Nc1ccccc1CN1CCCC1 ZINC001196320630 1135545555 /nfs/dbraw/zinc/54/55/55/1135545555.db2.gz UULFHTXOJFXJOJ-UHFFFAOYSA-N 0 3 336.464 3.963 20 30 EHEDHN C#Cc1ccc(CNCc2cccc(NC(=O)c3ccncc3)c2)cc1 ZINC000809608357 1135856860 /nfs/dbraw/zinc/85/68/60/1135856860.db2.gz MZYLSCQFNYGFHK-UHFFFAOYSA-N 0 3 341.414 3.605 20 30 EHEDHN C#Cc1ccc(CNCc2cccc(NC(=O)c3ccccn3)c2)cc1 ZINC000809608049 1135857027 /nfs/dbraw/zinc/85/70/27/1135857027.db2.gz LNSQVAMZIZMMFF-UHFFFAOYSA-N 0 3 341.414 3.605 20 30 EHEDHN C#C[C@H](CC)NCc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000809686126 1135872239 /nfs/dbraw/zinc/87/22/39/1135872239.db2.gz QZBMCGPKIQPXOO-GOSISDBHSA-N 0 3 333.435 3.723 20 30 EHEDHN COc1cc(CNCc2ccc3c(c2)CCC(C)(C)O3)ccc1C#N ZINC000810169694 1135930049 /nfs/dbraw/zinc/93/00/49/1135930049.db2.gz WWHMATKOMBCTSD-UHFFFAOYSA-N 0 3 336.435 3.960 20 30 EHEDHN CCCCCCCCCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001201839942 1136069502 /nfs/dbraw/zinc/06/95/02/1136069502.db2.gz YRJQTCXPXNTCLA-BCDXTJNWSA-N 0 3 344.565 3.672 20 30 EHEDHN Cc1cc(F)ccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001201954109 1136077944 /nfs/dbraw/zinc/07/79/44/1136077944.db2.gz IAPISNBDBNAIAJ-UHFFFAOYSA-N 0 3 334.398 3.696 20 30 EHEDHN C/C(C=NNCCN1CCCCC1)=C\c1ccccc1OC(F)F ZINC000811638809 1136115498 /nfs/dbraw/zinc/11/54/98/1136115498.db2.gz AWEVNENHRRJMGC-DJAPPVTHSA-N 0 3 337.414 3.753 20 30 EHEDHN C=CCc1cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)c(OC)c1 ZINC000811776536 1136133980 /nfs/dbraw/zinc/13/39/80/1136133980.db2.gz DMZXNMDYQMAOAA-VQIMIIECSA-N 0 3 331.456 3.519 20 30 EHEDHN C=CCOCCCN[C@H](c1nc(Br)cs1)C1CC1 ZINC000850532553 1136280622 /nfs/dbraw/zinc/28/06/22/1136280622.db2.gz VUCCYLJFEBQEOT-LBPRGKRZSA-N 0 3 331.279 3.539 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000850760615 1136301499 /nfs/dbraw/zinc/30/14/99/1136301499.db2.gz VLJWSFXLOFXCCK-DGCLKSJQSA-N 0 3 339.222 3.616 20 30 EHEDHN C[C@@H](OCc1ccccc1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813211789 1136303210 /nfs/dbraw/zinc/30/32/10/1136303210.db2.gz QINWPMPIYWCXPN-DOMZBBRYSA-N 0 3 348.324 3.882 20 30 EHEDHN Cc1cccc(C)c1OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218524 1136304810 /nfs/dbraw/zinc/30/48/10/1136304810.db2.gz PYVYBOGQAKOJKJ-AWEZNQCLSA-N 0 3 348.324 3.973 20 30 EHEDHN CC([C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000851108101 1136338583 /nfs/dbraw/zinc/33/85/83/1136338583.db2.gz JMVLOYCURGYYNU-CXAGYDPISA-N 0 3 348.374 3.939 20 30 EHEDHN Cc1oc(C#N)cc1C(=O)O[C@H](c1ccccc1)[C@H](C)N1CCCC1 ZINC000851133415 1136340917 /nfs/dbraw/zinc/34/09/17/1136340917.db2.gz SRAZEKDEIIIYIA-LIRRHRJNSA-N 0 3 338.407 3.842 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000173197117 1136361397 /nfs/dbraw/zinc/36/13/97/1136361397.db2.gz DYWPUOVUOPVXCJ-KXBFYZLASA-N 0 3 345.462 3.569 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000852685992 1136477870 /nfs/dbraw/zinc/47/78/70/1136477870.db2.gz NUVKPFKFGZDHBX-YSIASYRMSA-N 0 3 337.467 3.813 20 30 EHEDHN CC1(C)CCCC[C@H]1NN=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853341595 1136526852 /nfs/dbraw/zinc/52/68/52/1136526852.db2.gz UGZYOZWOIREMQR-LJQANCHMSA-N 0 3 329.488 3.540 20 30 EHEDHN CCCCCCCCN1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854126599 1136589813 /nfs/dbraw/zinc/58/98/13/1136589813.db2.gz WMJDNXVIMRBQTD-UHFFFAOYSA-N 0 3 327.476 3.596 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1cccc2ccccc21)C(C)(F)F ZINC000815908750 1136647130 /nfs/dbraw/zinc/64/71/30/1136647130.db2.gz IJBNLFKTDJQUED-FZMZJTMJSA-N 0 3 330.334 3.778 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CNCc2cccc(F)c2)ccc1OC ZINC000113348165 1136697238 /nfs/dbraw/zinc/69/72/38/1136697238.db2.gz JTZJXZAVBMCYGI-KRWDZBQOSA-N 0 3 328.387 3.805 20 30 EHEDHN C#CCN(C)CCCNC(=O)c1cc(C)ccc1SC1CCCC1 ZINC000818589360 1136885584 /nfs/dbraw/zinc/88/55/84/1136885584.db2.gz YVQGMENHHGGJQS-UHFFFAOYSA-N 0 3 344.524 3.715 20 30 EHEDHN CC(C)CCOc1ccccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000818995095 1136898522 /nfs/dbraw/zinc/89/85/22/1136898522.db2.gz PLULVKJMJNONEM-HXUWFJFHSA-N 0 3 338.451 3.806 20 30 EHEDHN CC[C@@H]1[C@@H](NCc2ccc(C#N)cc2F)CCN1C(=O)OC(C)(C)C ZINC000858253036 1136952630 /nfs/dbraw/zinc/95/26/30/1136952630.db2.gz BSHWHVMCHSDVLL-DLBZAZTESA-N 0 3 347.434 3.575 20 30 EHEDHN N#Cc1cccc(OC2CCN(CC[C@H]3CC3(Cl)Cl)CC2)c1 ZINC000822606068 1137066157 /nfs/dbraw/zinc/06/61/57/1137066157.db2.gz JFXOVUAIGJHHAF-AWEZNQCLSA-N 0 3 339.266 3.985 20 30 EHEDHN C#Cc1cccc(N(CC)C(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000844376829 1137218164 /nfs/dbraw/zinc/21/81/64/1137218164.db2.gz UZYSIRIYAVXQMX-HZPDHXFCSA-N 0 3 339.357 3.768 20 30 EHEDHN CN1Cc2c(NC(=O)CCS)cccc2[C@@H](c2ccccc2)C1 ZINC001143985311 1137221178 /nfs/dbraw/zinc/22/11/78/1137221178.db2.gz HOZQUWNONFXGRM-MRXNPFEDSA-N 0 3 326.465 3.522 20 30 EHEDHN [O-]c1ccc(Br)cc1/C=N\C1CC([NH+]2CCCCC2)C1 ZINC000794847260 1137291206 /nfs/dbraw/zinc/29/12/06/1137291206.db2.gz GYDNFDOIBXVYBN-WQRHYEAKSA-N 0 3 337.261 3.591 20 30 EHEDHN N=C(Nc1ccc2c(c1)CCC2=NO)c1ccc2cc(O)ccc2c1 ZINC001171184970 1137293136 /nfs/dbraw/zinc/29/31/36/1137293136.db2.gz CVZKJCACKMBZPL-NMWGTECJSA-N 0 3 331.375 3.707 20 30 EHEDHN C#CCOc1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000120820304 1137321154 /nfs/dbraw/zinc/32/11/54/1137321154.db2.gz GAAQSMRRZUKKGW-UHFFFAOYSA-N 0 3 348.446 3.549 20 30 EHEDHN C#Cc1ccc(CN2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)cc1 ZINC000846054098 1137331029 /nfs/dbraw/zinc/33/10/29/1137331029.db2.gz CKXLLNMEUJAALL-HNAYVOBHSA-N 0 3 335.451 3.629 20 30 EHEDHN CC[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1[O-] ZINC000846115536 1137333878 /nfs/dbraw/zinc/33/38/78/1137333878.db2.gz OIRPAONPULCUAI-OAQYLSRUSA-N 0 3 349.478 3.969 20 30 EHEDHN C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1cccc(C#N)c1[O-] ZINC000866335642 1137346774 /nfs/dbraw/zinc/34/67/74/1137346774.db2.gz DIQBUCOCDPQXQU-ZOBUZTSGSA-N 0 3 327.472 3.567 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(C2(c3ccccc3)CC2)CC1 ZINC001171227934 1137353969 /nfs/dbraw/zinc/35/39/69/1137353969.db2.gz CLLTWUAFSVFUSK-LJQANCHMSA-N 0 3 345.490 3.796 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001171230065 1137355946 /nfs/dbraw/zinc/35/59/46/1137355946.db2.gz SKKIKGYRROXPSN-CXAGYDPISA-N 0 3 340.389 3.515 20 30 EHEDHN N#CCc1ccsc1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000868056855 1137395489 /nfs/dbraw/zinc/39/54/89/1137395489.db2.gz XAWKNSKMFUQYLX-UHFFFAOYSA-N 0 3 345.512 3.590 20 30 EHEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2ncccc2F)ccc1[O-] ZINC000794990651 1137395699 /nfs/dbraw/zinc/39/56/99/1137395699.db2.gz QHQALHMNWQBXIW-UHFFFAOYSA-N 0 3 330.407 3.604 20 30 EHEDHN C#CCOc1ccccc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000772988592 1137420215 /nfs/dbraw/zinc/42/02/15/1137420215.db2.gz ROTQFLYUOJSGFN-WIYYLYMNSA-N 0 3 335.447 3.956 20 30 EHEDHN CCO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCCC1 ZINC000870380250 1137490880 /nfs/dbraw/zinc/49/08/80/1137490880.db2.gz XPVQHZODACBAQQ-XJKSGUPXSA-N 0 3 340.345 3.872 20 30 EHEDHN C=CC[C@H]1CCCN(CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1 ZINC001171847526 1137515589 /nfs/dbraw/zinc/51/55/89/1137515589.db2.gz NXQFMKMEGLRRMG-IBGZPJMESA-N 0 3 342.527 3.931 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001172308172 1137545755 /nfs/dbraw/zinc/54/57/55/1137545755.db2.gz IXTIVSAMWQZJRF-RHSMWYFYSA-N 0 3 330.428 3.515 20 30 EHEDHN Cc1ccoc1CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000795182736 1137551874 /nfs/dbraw/zinc/55/18/74/1137551874.db2.gz WLQQXOWNMWGIJG-ZDUSSCGKSA-N 0 3 339.420 3.506 20 30 EHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(C(F)(F)F)nc2)cc1 ZINC000873184467 1137593164 /nfs/dbraw/zinc/59/31/64/1137593164.db2.gz BPUZXUYOCZIWBC-CYBMUJFWSA-N 0 3 334.341 3.963 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000876641923 1137657931 /nfs/dbraw/zinc/65/79/31/1137657931.db2.gz QATICWMPNVQRJA-UFBFGSQYSA-N 0 3 335.662 3.683 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCc3ccc(C(C)C)cc32)CC1 ZINC000125624371 1137639402 /nfs/dbraw/zinc/63/94/02/1137639402.db2.gz NMMADVSTNQRGCO-OAQYLSRUSA-N 0 3 338.495 3.649 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000876687563 1137659025 /nfs/dbraw/zinc/65/90/25/1137659025.db2.gz KVZXZAQPTXMIRC-ZOWXZIJZSA-N 0 3 329.271 3.760 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1NCCC ZINC000876772514 1137660967 /nfs/dbraw/zinc/66/09/67/1137660967.db2.gz OQFAOVQNCFPUCS-NSHDSACASA-N 0 3 349.784 3.936 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000876989388 1137667180 /nfs/dbraw/zinc/66/71/80/1137667180.db2.gz UUQJIHILGWMCHG-OAHLLOKOSA-N 0 3 327.255 3.549 20 30 EHEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000877336433 1137674514 /nfs/dbraw/zinc/67/45/14/1137674514.db2.gz MOXSUHHYQUVQMK-DLBZAZTESA-N 0 3 345.805 3.756 20 30 EHEDHN C=C(C)[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)c(F)c1 ZINC000877409218 1137675805 /nfs/dbraw/zinc/67/58/05/1137675805.db2.gz ZRGVLICAPNKNQE-FVKWTLKZSA-N 0 3 348.353 3.680 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(OC(F)F)cc1F ZINC000877730250 1137687011 /nfs/dbraw/zinc/68/70/11/1137687011.db2.gz SDTZXPBNFQNTOG-LBPRGKRZSA-N 0 3 342.361 3.616 20 30 EHEDHN C=C(C)[C@@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccc(F)c(F)c1 ZINC000878451495 1137716630 /nfs/dbraw/zinc/71/66/30/1137716630.db2.gz MRYNRYVOXCBKTE-CRAIPNDOSA-N 0 3 337.410 3.900 20 30 EHEDHN CCC1(CC)CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000880095460 1137768064 /nfs/dbraw/zinc/76/80/64/1137768064.db2.gz CKGWPXPZSUXXAW-UHFFFAOYSA-N 0 3 331.485 3.895 20 30 EHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000880100437 1137768094 /nfs/dbraw/zinc/76/80/94/1137768094.db2.gz DSGQZYPNVOTPBB-LBPRGKRZSA-N 0 3 335.329 3.702 20 30 EHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000880101992 1137768270 /nfs/dbraw/zinc/76/82/70/1137768270.db2.gz URVLNPSNDRKVLN-LBPRGKRZSA-N 0 3 335.329 3.854 20 30 EHEDHN C[C@H]1c2sccc2CCN1CCC(=O)Nc1sccc1C#N ZINC000880377995 1137777022 /nfs/dbraw/zinc/77/70/22/1137777022.db2.gz LDHZDOYYBKRVHK-NSHDSACASA-N 0 3 331.466 3.629 20 30 EHEDHN C=CCCC[C@@H](NCC(=O)Nc1c(C)n[nH]c1C)c1ccccc1 ZINC000880388746 1137777677 /nfs/dbraw/zinc/77/76/77/1137777677.db2.gz NZOOWMFUDKXEDD-QGZVFWFLSA-N 0 3 326.444 3.652 20 30 EHEDHN CCc1cc(C(=O)C(C#N)C(=O)Nc2ccc(CC)cc2)oc1CC ZINC000128733398 1137796465 /nfs/dbraw/zinc/79/64/65/1137796465.db2.gz YADLSPXOXRMAPU-MRXNPFEDSA-N 0 3 338.407 3.928 20 30 EHEDHN C=CCOc1ccc(CNCc2cccc(C3(C)OCCO3)c2)cc1 ZINC000883127286 1137845529 /nfs/dbraw/zinc/84/55/29/1137845529.db2.gz QPSYNDJAMGFBND-UHFFFAOYSA-N 0 3 339.435 3.761 20 30 EHEDHN Cc1c([C@@H](C)NCC(C)(C)CCC#N)nnn1-c1ccc(C)cc1 ZINC000348249734 1137878472 /nfs/dbraw/zinc/87/84/72/1137878472.db2.gz YVRQMWGXFWAISX-OAHLLOKOSA-N 0 3 325.460 3.865 20 30 EHEDHN C#CCN(C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C)C1CCN(C)CC1 ZINC000886577651 1138098787 /nfs/dbraw/zinc/09/87/87/1138098787.db2.gz RFKGKRMIIZXNLD-MSOLQXFVSA-N 0 3 338.495 3.532 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(C)[C@H](C)c1sc(C)nc1C ZINC000077283461 1138138537 /nfs/dbraw/zinc/13/85/37/1138138537.db2.gz FVRNUHSUBDZARC-CYBMUJFWSA-N 0 3 345.468 3.712 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000091960542 1138223671 /nfs/dbraw/zinc/22/36/71/1138223671.db2.gz HEGXZIHNVUMBBH-AEFFLSMTSA-N 0 3 341.455 3.540 20 30 EHEDHN CN(CCC#N)C(=O)CCN(Cc1cccs1)Cc1cccs1 ZINC000092792318 1138231985 /nfs/dbraw/zinc/23/19/85/1138231985.db2.gz GQLXDGSRYNEWMV-UHFFFAOYSA-N 0 3 347.509 3.574 20 30 EHEDHN N#CCOc1ccc(CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000264583420 1138566386 /nfs/dbraw/zinc/56/63/86/1138566386.db2.gz WGTJBZKOXLXBNB-UHFFFAOYSA-N 0 3 328.456 3.903 20 30 EHEDHN C=C(CNCc1cc(OC)c(OCC)c(OC)c1)c1ccccc1 ZINC000337723785 1138652717 /nfs/dbraw/zinc/65/27/17/1138652717.db2.gz YEAQTCDUJQVXFK-UHFFFAOYSA-N 0 3 327.424 3.906 20 30 EHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3cccnc3)n2)cc1 ZINC000338177286 1138775984 /nfs/dbraw/zinc/77/59/84/1138775984.db2.gz CTXBRLLFGDNRCU-OAHLLOKOSA-N 0 3 334.404 3.759 20 30 EHEDHN C=CCCC[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000889931743 1139290559 /nfs/dbraw/zinc/29/05/59/1139290559.db2.gz GOCRISMRMHHRRJ-PMACEKPBSA-N 0 3 339.483 3.740 20 30 EHEDHN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(C#N)cc3)ccc2NC1=O ZINC000174139675 1139400947 /nfs/dbraw/zinc/40/09/47/1139400947.db2.gz XSPDKOPWONIROB-FZKQIMNGSA-N 0 3 335.407 3.519 20 30 EHEDHN C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000174429630 1139419628 /nfs/dbraw/zinc/41/96/28/1139419628.db2.gz SYQJZMXZHBVPLF-GFCCVEGCSA-N 0 3 328.799 3.834 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)Sc2ccccc2)CC1 ZINC000176500225 1139560839 /nfs/dbraw/zinc/56/08/39/1139560839.db2.gz PYXRFPXBQZXCCN-MRXNPFEDSA-N 0 3 347.528 3.507 20 30 EHEDHN CCOc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000181715718 1139926029 /nfs/dbraw/zinc/92/60/29/1139926029.db2.gz URXFEVCGNPRSRU-CQSZACIVSA-N 0 3 328.387 3.978 20 30 EHEDHN CCCOc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000181725515 1139926753 /nfs/dbraw/zinc/92/67/53/1139926753.db2.gz YPHJZGJTEYVTKD-OAHLLOKOSA-N 0 3 325.412 3.624 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](N[C@H](CCC#N)c2ccccc2)C1 ZINC000183350174 1140031601 /nfs/dbraw/zinc/03/16/01/1140031601.db2.gz KMYIQXRIMXKWNF-IAGOWNOFSA-N 0 3 329.444 3.630 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1cc2ccccc2s1 ZINC000184383254 1140099929 /nfs/dbraw/zinc/09/99/29/1140099929.db2.gz YVYWWKHZCTWDDC-KBPBESRZSA-N 0 3 329.469 3.560 20 30 EHEDHN CC(C)(NC[C@@H](O)c1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC000186882005 1140226509 /nfs/dbraw/zinc/22/65/09/1140226509.db2.gz PSHSNMGUSHFRCR-MRXNPFEDSA-N 0 3 332.806 3.909 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000187143543 1140241254 /nfs/dbraw/zinc/24/12/54/1140241254.db2.gz IONPXLOBIJLTOW-INIZCTEOSA-N 0 3 348.450 3.905 20 30 EHEDHN O[C@@H](CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)CC(F)(F)F ZINC000189834804 1140367703 /nfs/dbraw/zinc/36/77/03/1140367703.db2.gz WZNZQJLZNIDCMP-MNOVXSKESA-N 0 3 333.247 3.722 20 30 EHEDHN CCCCOc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1OC ZINC000190788569 1140417350 /nfs/dbraw/zinc/41/73/50/1140417350.db2.gz LHVYBQZYXDFKDH-OAHLLOKOSA-N 0 3 341.455 3.935 20 30 EHEDHN N#CC(CCN1CCN(C2CC2)CC1)(c1ccccc1)c1ccccc1 ZINC000193046084 1140561645 /nfs/dbraw/zinc/56/16/45/1140561645.db2.gz UZDPNKFWFICXCF-UHFFFAOYSA-N 0 3 345.490 3.666 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cccc(NCC(C)(C)C)c2C)CC1 ZINC000268235829 1140906633 /nfs/dbraw/zinc/90/66/33/1140906633.db2.gz LZGFLSMVKROPQB-UHFFFAOYSA-N 0 3 343.515 3.833 20 30 EHEDHN CCc1nc(C)c([C@@H](C)N(C)C[C@H](O)c2ccc(C#N)cc2)s1 ZINC000268741781 1140980887 /nfs/dbraw/zinc/98/08/87/1140980887.db2.gz ZQVYLFXIDDZPJF-CJNGLKHVSA-N 0 3 329.469 3.612 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000271562181 1141397343 /nfs/dbraw/zinc/39/73/43/1141397343.db2.gz UOMQIRILLQOOLX-YWTKSJFSSA-N 0 3 341.476 3.848 20 30 EHEDHN C=CCC[C@H]([NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734066 607390469 /nfs/dbraw/zinc/39/04/69/607390469.db2.gz HMIZLLBMNOXZCP-SFHVURJKSA-N 0 3 349.438 3.672 20 30 EHEDHN C=CCC[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734066 607390471 /nfs/dbraw/zinc/39/04/71/607390471.db2.gz HMIZLLBMNOXZCP-SFHVURJKSA-N 0 3 349.438 3.672 20 30 EHEDHN C=C(C[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC000823883146 608504942 /nfs/dbraw/zinc/50/49/42/608504942.db2.gz JXXPUDBJUFOXMW-IBGZPJMESA-N 0 3 331.423 3.547 20 30 EHEDHN C=C(C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000823883146 608504944 /nfs/dbraw/zinc/50/49/44/608504944.db2.gz JXXPUDBJUFOXMW-IBGZPJMESA-N 0 3 331.423 3.547 20 30 EHEDHN CCN1CCN(Cc2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2)CC1 ZINC000183180747 1125466067 /nfs/dbraw/zinc/46/60/67/1125466067.db2.gz VNNMKAKCKCMXBH-GOSISDBHSA-N 0 3 348.494 3.869 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535789740 1014258776 /nfs/dbraw/zinc/25/87/76/1014258776.db2.gz HVVZGOKZMUDYSH-UHFFFAOYSA-N 0 3 349.413 3.690 20 30 EHEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1ncc(Br)cc1F ZINC000595055709 1033632843 /nfs/dbraw/zinc/63/28/43/1033632843.db2.gz HZLJCQJUMWRAFO-LLVKDONJSA-N 0 3 348.219 3.748 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c(F)c1 ZINC000134785913 1015792223 /nfs/dbraw/zinc/79/22/23/1015792223.db2.gz ANRFLISJPUBPRT-ICSRJNTNSA-N 0 3 342.389 3.925 20 30 EHEDHN C=CCCCN(Cc1ccncc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209163342 1015878115 /nfs/dbraw/zinc/87/81/15/1015878115.db2.gz CNKRRTIVICGTQU-SFHVURJKSA-N 0 3 345.487 3.859 20 30 EHEDHN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(CC#N)cc3)ccc2NC1=O ZINC000343741906 1032137996 /nfs/dbraw/zinc/13/79/96/1032137996.db2.gz GZTHWLAZZUVJLP-AUUYWEPGSA-N 0 3 349.434 3.713 20 30 EHEDHN C=CCCCCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001625838478 1016136600 /nfs/dbraw/zinc/13/66/00/1016136600.db2.gz CWSRAUZRIABBCI-GOSISDBHSA-N 0 3 328.500 3.802 20 30 EHEDHN Cc1c(C)c(C)c(CN2CCN(c3ccc(C#N)cn3)CC2)c(C)c1C ZINC001167138363 1016277125 /nfs/dbraw/zinc/27/71/25/1016277125.db2.gz LFEHNHJYWWBSIR-UHFFFAOYSA-N 0 3 348.494 3.818 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CCC4(CCC4)CO3)nc21 ZINC000892706616 1016981206 /nfs/dbraw/zinc/98/12/06/1016981206.db2.gz VRTJBHYGQNOAED-GJZGRUSLSA-N 0 3 337.423 3.787 20 30 EHEDHN Cc1ccccc1C(NCCC(=O)N(C)CCC#N)c1ccccc1C ZINC000183932623 1032245123 /nfs/dbraw/zinc/24/51/23/1032245123.db2.gz CCARHCGGBSRMBU-UHFFFAOYSA-N 0 3 349.478 3.745 20 30 EHEDHN COc1ccc(-c2ccc(CNCC(C)(C)CC#N)o2)c([N+](=O)[O-])c1 ZINC000459691760 1032418214 /nfs/dbraw/zinc/41/82/14/1032418214.db2.gz LNYSALUWVNSIFK-UHFFFAOYSA-N 0 3 343.383 3.893 20 30 EHEDHN COc1ccccc1Oc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000190993884 1032435163 /nfs/dbraw/zinc/43/51/63/1032435163.db2.gz LORCWMRRXDPUAG-UHFFFAOYSA-N 0 3 347.418 3.987 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496098 1032664743 /nfs/dbraw/zinc/66/47/43/1032664743.db2.gz GBEQJXMDSZPMCA-AWEZNQCLSA-N 0 3 327.409 3.908 20 30 EHEDHN N#Cc1ccc2c(c1)CCN2C(=O)c1cccc(CN2CCCCC2)c1 ZINC000597777824 1032673359 /nfs/dbraw/zinc/67/33/59/1032673359.db2.gz RLJDVARWXNEGHD-UHFFFAOYSA-N 0 3 345.446 3.747 20 30 EHEDHN CCN(CC)[C@@H](CNc1cc(C#N)nc2ccccc21)c1ccco1 ZINC000610274173 1017160948 /nfs/dbraw/zinc/16/09/48/1017160948.db2.gz OLVUIFWCTBOULI-IBGZPJMESA-N 0 3 334.423 3.616 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000449519151 1032712594 /nfs/dbraw/zinc/71/25/94/1032712594.db2.gz LXQRURNMFVSCFK-HIFRSBDPSA-N 0 3 326.421 3.989 20 30 EHEDHN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415586428 1018256020 /nfs/dbraw/zinc/25/60/20/1018256020.db2.gz VSMSJLXMOGXSBF-WMLDXEAASA-N 0 3 345.487 3.773 20 30 EHEDHN N#Cc1csc(CNCCOc2ccccc2C(F)(F)F)c1 ZINC000177697829 1018540645 /nfs/dbraw/zinc/54/06/45/1018540645.db2.gz ACOHOZPDRJCGPM-UHFFFAOYSA-N 0 3 326.343 3.807 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccc2ccccc2c1 ZINC000175947245 1019384446 /nfs/dbraw/zinc/38/44/46/1019384446.db2.gz LSSXAFADLSKSEA-LIRRHRJNSA-N 0 3 334.419 3.711 20 30 EHEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000610475779 1020411137 /nfs/dbraw/zinc/41/11/37/1020411137.db2.gz AWODAIONLULTBT-QGZVFWFLSA-N 0 3 348.450 3.687 20 30 EHEDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000594058398 1032899625 /nfs/dbraw/zinc/89/96/25/1032899625.db2.gz NWWFGAXKEIGTDS-UHFFFAOYSA-N 0 3 334.851 3.550 20 30 EHEDHN COc1ccc(CN2CC[C@H](COCc3ccccc3)C2)cc1C#N ZINC000135103260 1020766364 /nfs/dbraw/zinc/76/63/64/1020766364.db2.gz IAQZZUMVLJDLPR-IBGZPJMESA-N 0 3 336.435 3.606 20 30 EHEDHN C[C@H](NCC#Cc1ccccc1Cl)c1ccc(-n2cncn2)cc1 ZINC000341017035 1020861973 /nfs/dbraw/zinc/86/19/73/1020861973.db2.gz ONRJCTGRPSKQDZ-HNNXBMFYSA-N 0 3 336.826 3.623 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000341022170 1020873080 /nfs/dbraw/zinc/87/30/80/1020873080.db2.gz UZWKQWIWCJOJIC-FQEVSTJZSA-N 0 3 329.488 3.859 20 30 EHEDHN CCCC(=O)Nc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602513216 1032947604 /nfs/dbraw/zinc/94/76/04/1032947604.db2.gz DUDZTAWHTXIVHP-INIZCTEOSA-N 0 3 343.471 3.614 20 30 EHEDHN Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@@H](N)CCCCC#N ZINC000602523659 1032959488 /nfs/dbraw/zinc/95/94/88/1032959488.db2.gz DVWIWFFTHNVFLQ-IBGZPJMESA-N 0 3 329.488 3.699 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1c1cccs1 ZINC000157334237 1021207775 /nfs/dbraw/zinc/20/77/75/1021207775.db2.gz WFNJNBLITNIOFW-OAHLLOKOSA-N 0 3 328.437 3.844 20 30 EHEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000507493190 1021305118 /nfs/dbraw/zinc/30/51/18/1021305118.db2.gz SJRAOBJPUVAJSU-ICSRJNTNSA-N 0 3 327.472 3.516 20 30 EHEDHN COc1cc(CN(C)CCOc2cccc(C#N)c2)ccc1SC ZINC000507695403 1021448323 /nfs/dbraw/zinc/44/83/23/1021448323.db2.gz VJKINJSSDKXFCM-UHFFFAOYSA-N 0 3 342.464 3.800 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000602600342 1032996722 /nfs/dbraw/zinc/99/67/22/1032996722.db2.gz FRCGZTDRGHDYCV-ZWKOTPCHSA-N 0 3 331.435 3.584 20 30 EHEDHN COc1ccccc1-c1ncc(CN2CCC(CCC#N)CC2)cn1 ZINC000516970780 1021903892 /nfs/dbraw/zinc/90/38/92/1021903892.db2.gz DZOFKBBKDQQJQT-UHFFFAOYSA-N 0 3 336.439 3.668 20 30 EHEDHN COc1ccc(C#N)cc1CN(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000437572642 1021960322 /nfs/dbraw/zinc/96/03/22/1021960322.db2.gz WPRZWZNVEBWQIO-HXUWFJFHSA-N 0 3 335.451 3.668 20 30 EHEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000520172725 1021985437 /nfs/dbraw/zinc/98/54/37/1021985437.db2.gz WJXGAOFHIOCZME-NRFANRHFSA-N 0 3 347.462 3.574 20 30 EHEDHN N#Cc1cccnc1OC1CCC(NCc2nc3ccccc3o2)CC1 ZINC000602627358 1033040005 /nfs/dbraw/zinc/04/00/05/1033040005.db2.gz ROFJITZYEVAMRC-UHFFFAOYSA-N 0 3 348.406 3.574 20 30 EHEDHN COc1cc(OC)cc(C2(F)CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000550078660 1022340237 /nfs/dbraw/zinc/34/02/37/1022340237.db2.gz DIEDQUNONOTAOS-GDBMZVCRSA-N 0 3 332.419 3.657 20 30 EHEDHN N#CC(C(=O)C1CCc2ccccc2CC1)c1nc2ccccc2[nH]1 ZINC000528906409 1033049113 /nfs/dbraw/zinc/04/91/13/1033049113.db2.gz BXGRAQLVFNBDTC-QGZVFWFLSA-N 0 3 329.403 3.934 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)n1 ZINC000528906028 1033049316 /nfs/dbraw/zinc/04/93/16/1033049316.db2.gz CSDTZBROSFSXON-QWHCGFSZSA-N 0 3 334.347 3.728 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000614546795 1022472528 /nfs/dbraw/zinc/47/25/28/1022472528.db2.gz FJGRZVTUMRDILJ-MRXNPFEDSA-N 0 3 339.483 3.780 20 30 EHEDHN CCN1CCN(c2ccccc2CNc2cccc(CC#N)c2)CC1 ZINC000449699060 1033057633 /nfs/dbraw/zinc/05/76/33/1033057633.db2.gz OFAUHPVXTCEKQG-UHFFFAOYSA-N 0 3 334.467 3.507 20 30 EHEDHN CCN(CCN[C@H](C)c1ccc(C#N)cc1F)CCC(F)(F)F ZINC000426056560 1022771435 /nfs/dbraw/zinc/77/14/35/1022771435.db2.gz BJRFOHQYPPWLRL-GFCCVEGCSA-N 0 3 331.357 3.622 20 30 EHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(OC(F)F)cc1 ZINC000518000782 1022921976 /nfs/dbraw/zinc/92/19/76/1022921976.db2.gz WKBVHUROBDNINQ-UHFFFAOYSA-N 0 3 346.377 3.808 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000518024213 1022926260 /nfs/dbraw/zinc/92/62/60/1022926260.db2.gz YTADKQKASBROPB-HNNXBMFYSA-N 0 3 333.451 3.569 20 30 EHEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)Nc2ccccc2)s1 ZINC000176018683 1022999488 /nfs/dbraw/zinc/99/94/88/1022999488.db2.gz CPBSICUZCHXREJ-INIZCTEOSA-N 0 3 326.421 3.727 20 30 EHEDHN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075745741 1033095729 /nfs/dbraw/zinc/09/57/29/1033095729.db2.gz JFSHUNRVMURESA-BEFAXECRSA-N 0 3 344.418 3.986 20 30 EHEDHN C[C@@H](CCC(=O)C(C#N)C(=O)NCc1ccccc1)c1ccccc1 ZINC000160147617 1023069177 /nfs/dbraw/zinc/06/91/77/1023069177.db2.gz YIQSTALEQITCGA-QFBILLFUSA-N 0 3 334.419 3.596 20 30 EHEDHN C=C(CNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1)c1ccccc1 ZINC000509572749 1023070571 /nfs/dbraw/zinc/07/05/71/1023070571.db2.gz VSDREWOILYHVRP-FUHWJXTLSA-N 0 3 341.455 3.721 20 30 EHEDHN C=CCOc1ccccc1CN1CCC(OCCOC(C)C)CC1 ZINC000449722059 1033108964 /nfs/dbraw/zinc/10/89/64/1033108964.db2.gz CRCRMHGEWONFMU-UHFFFAOYSA-N 0 3 333.472 3.657 20 30 EHEDHN COc1ccc(C2(NCc3ccc(F)c(C#N)c3)CCOCC2)cc1 ZINC000610719755 1023345545 /nfs/dbraw/zinc/34/55/45/1023345545.db2.gz FPXAFMRVLOOONH-UHFFFAOYSA-N 0 3 340.398 3.501 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@](C)(O)c2ccc(F)cc2)c([O-])c1 ZINC000255414650 1023502191 /nfs/dbraw/zinc/50/21/91/1023502191.db2.gz ARNAXJVMSSIRNI-CWGWECIMSA-N 0 3 344.430 3.704 20 30 EHEDHN CCc1ccc([C@H](NCC(=O)NC2(C#N)CCCCC2)C(C)C)cc1 ZINC000510968056 1023541591 /nfs/dbraw/zinc/54/15/91/1023541591.db2.gz OCPLPYWSKNABPM-HXUWFJFHSA-N 0 3 341.499 3.878 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCC=C(c2ccccc2)C1 ZINC000341971740 1023727083 /nfs/dbraw/zinc/72/70/83/1023727083.db2.gz FBZNRKBNKVJIDE-UHFFFAOYSA-N 0 3 334.419 3.735 20 30 EHEDHN CC(C)C[C@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000342070920 1023827948 /nfs/dbraw/zinc/82/79/48/1023827948.db2.gz CALRFFMKMBYBTK-DLBZAZTESA-N 0 3 345.462 3.829 20 30 EHEDHN C=CCN1CCC(NC(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000330031449 1024297078 /nfs/dbraw/zinc/29/70/78/1024297078.db2.gz TZXQLHIESRXDMC-UHFFFAOYSA-N 0 3 333.476 3.519 20 30 EHEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1C[C@H]1C1CCCCC1 ZINC000330188545 1024348712 /nfs/dbraw/zinc/34/87/12/1024348712.db2.gz LEWPBNSYNKALMX-OKZBNKHCSA-N 0 3 330.476 3.539 20 30 EHEDHN C=CCC[C@H](NCC(=O)N1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000342206632 1024402178 /nfs/dbraw/zinc/40/21/78/1024402178.db2.gz NKDMQPCXSYMOOG-HNNXBMFYSA-N 0 3 326.362 3.535 20 30 EHEDHN C[C@@H](NCc1ccc(F)c(CN(C)C)c1)c1ccc(C#N)c(F)c1 ZINC000346131201 1024434529 /nfs/dbraw/zinc/43/45/29/1024434529.db2.gz NCNWVCCPJXOEHI-CYBMUJFWSA-N 0 3 329.394 3.749 20 30 EHEDHN C[C@@H]1CN(CCCOc2cccc3ccccc32)C[C@@H](C)N1CC#N ZINC000602858511 1033212481 /nfs/dbraw/zinc/21/24/81/1033212481.db2.gz SMHPASMCYYQUEY-QZTJIDSGSA-N 0 3 337.467 3.527 20 30 EHEDHN Cc1ccnc(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1C#N ZINC000346190224 1024473984 /nfs/dbraw/zinc/47/39/84/1024473984.db2.gz KUYIPBOVKCXBNQ-MRXNPFEDSA-N 0 3 348.372 3.995 20 30 EHEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000926344677 1024571786 /nfs/dbraw/zinc/57/17/86/1024571786.db2.gz MIAXPIZFMYSNSC-DOTOQJQBSA-N 0 3 343.471 3.924 20 30 EHEDHN C=CCOc1ccccc1CN1CCC(c2ccnn2CC)CC1 ZINC000435032059 1024571649 /nfs/dbraw/zinc/57/16/49/1024571649.db2.gz CJMKRDDNGSNEIV-UHFFFAOYSA-N 0 3 325.456 3.847 20 30 EHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(C#N)cs1 ZINC000346510670 1024804124 /nfs/dbraw/zinc/80/41/24/1024804124.db2.gz XKSBZANRGWHFJI-KRWDZBQOSA-N 0 3 341.480 3.506 20 30 EHEDHN CSc1ccc(CNCc2ccc(N(C)C)cc2C)cc1C#N ZINC000895777003 1024822265 /nfs/dbraw/zinc/82/22/65/1024822265.db2.gz OCELRYFTKSEWQB-UHFFFAOYSA-N 0 3 325.481 3.944 20 30 EHEDHN C=C1CCC(C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)CC1 ZINC000895798353 1024852438 /nfs/dbraw/zinc/85/24/38/1024852438.db2.gz BFYZUQUWPRUZGX-UHFFFAOYSA-N 0 3 342.483 3.522 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C2CC2)C1 ZINC000344085576 1024887232 /nfs/dbraw/zinc/88/72/32/1024887232.db2.gz HMMAZRVDOCNWPD-RDJZCZTQSA-N 0 3 343.446 3.583 20 30 EHEDHN C=CC[C@H](CC)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000281331631 1024906156 /nfs/dbraw/zinc/90/61/56/1024906156.db2.gz LIVPGUIMAAUTCC-KRWDZBQOSA-N 0 3 344.503 3.613 20 30 EHEDHN COc1ccc(F)cc1[C@@H](C)NCCCOc1cccc(C#N)c1 ZINC000539266980 1025011446 /nfs/dbraw/zinc/01/14/46/1025011446.db2.gz CPGOPKXHRVMQFT-CQSZACIVSA-N 0 3 328.387 3.826 20 30 EHEDHN COc1cccc([C@H]2C[C@H](N(C)Cc3cnc4ccc(C#N)cn34)C2)c1 ZINC000515366192 1025197849 /nfs/dbraw/zinc/19/78/49/1025197849.db2.gz DLOXNMPOJXBFPN-IYARVYRRSA-N 0 3 346.434 3.593 20 30 EHEDHN CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](CC)c1ccccc1 ZINC000521193949 1025255363 /nfs/dbraw/zinc/25/53/63/1025255363.db2.gz ZLIAIPMNXBLZQA-ICSRJNTNSA-N 0 3 329.488 3.904 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)CC1 ZINC000425445842 1025320032 /nfs/dbraw/zinc/32/00/32/1025320032.db2.gz DFUJKYILXRJRAD-LJQANCHMSA-N 0 3 341.499 3.820 20 30 EHEDHN CC(C)N(CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000183041301 1025444097 /nfs/dbraw/zinc/44/40/97/1025444097.db2.gz RUHPYJAODQPWSG-OAHLLOKOSA-N 0 3 333.501 3.996 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000451115372 1025549922 /nfs/dbraw/zinc/54/99/22/1025549922.db2.gz OSZZFCIQHBCCNE-AVYPCKFXSA-N 0 3 327.472 3.658 20 30 EHEDHN Cc1cccc(C)c1OC[C@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425541570 1025692969 /nfs/dbraw/zinc/69/29/69/1025692969.db2.gz PPLYDCVGAOOZCW-YLJYHZDGSA-N 0 3 338.451 3.608 20 30 EHEDHN CCN(Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000120029046 1025709895 /nfs/dbraw/zinc/70/98/95/1025709895.db2.gz ZKQQEVBFHFQKJX-OAHLLOKOSA-N 0 3 338.407 3.728 20 30 EHEDHN C=CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522834060 1025739354 /nfs/dbraw/zinc/73/93/54/1025739354.db2.gz DPBVSQVRHKDWTG-NRFANRHFSA-N 0 3 349.478 3.508 20 30 EHEDHN C=CCOc1ccc(CN(CCO)Cc2ccccc2)cc1Cl ZINC000505848025 1025887833 /nfs/dbraw/zinc/88/78/33/1025887833.db2.gz KUSGMUZMHDLTTA-UHFFFAOYSA-N 0 3 331.843 3.899 20 30 EHEDHN C=CCN(Cc1ccccc1)C(=O)NCCN(C)Cc1ccccc1 ZINC000065542669 1025919224 /nfs/dbraw/zinc/91/92/24/1025919224.db2.gz COYFAEJEPMPJMT-UHFFFAOYSA-N 0 3 337.467 3.516 20 30 EHEDHN C[C@H](NC([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1)C1CCCC1 ZINC000329490280 1025921416 /nfs/dbraw/zinc/92/14/16/1025921416.db2.gz HTWRQKCBWRBLHL-ZFWWWQNUSA-N 0 3 332.492 3.578 20 30 EHEDHN C[C@H]1C[C@H](C(F)(F)F)CCN1CCC(=O)Nc1sccc1C#N ZINC000451422246 1025960263 /nfs/dbraw/zinc/96/02/63/1025960263.db2.gz TYTOENBVTZFAIP-CMPLNLGQSA-N 0 3 345.390 3.611 20 30 EHEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000451475507 1025992143 /nfs/dbraw/zinc/99/21/43/1025992143.db2.gz RYVDPRWUMPMGFI-HZPDHXFCSA-N 0 3 336.382 3.597 20 30 EHEDHN C[C@@H](NC(=O)Nc1nc2c(s1)CCCC2(C)C)C1=CCN(C)CC1 ZINC000329565894 1026010257 /nfs/dbraw/zinc/01/02/57/1026010257.db2.gz KQJOZBGZIVNDLO-GFCCVEGCSA-N 0 3 348.516 3.733 20 30 EHEDHN N#CC(C(=O)C=Cc1ccco1)c1nc2ccccc2n1C(F)F ZINC000051655310 1026157836 /nfs/dbraw/zinc/15/78/36/1026157836.db2.gz KNOOGHDIHRQXHT-ABZNLYFFSA-N 0 3 327.290 3.914 20 30 EHEDHN C[C@@H]1CN(Cc2cc(C#N)cs2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC000896986853 1026207904 /nfs/dbraw/zinc/20/79/04/1026207904.db2.gz MNOBYYDBMSMYHB-HIFRSBDPSA-N 0 3 349.500 3.602 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000582595145 1026685450 /nfs/dbraw/zinc/68/54/50/1026685450.db2.gz VBXXIVIZSIUHEF-RBUKOAKNSA-N 0 3 335.455 3.965 20 30 EHEDHN C=CCOc1ccc(CNC(C)(C)c2ccc(C)nc2)cc1OC ZINC000353159248 1027125450 /nfs/dbraw/zinc/12/54/50/1027125450.db2.gz XYLDPSSPYPUDIF-UHFFFAOYSA-N 0 3 326.440 3.988 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2cc(F)cc(F)c2)s1 ZINC000419840982 1027210559 /nfs/dbraw/zinc/21/05/59/1027210559.db2.gz SSHMMWMLCYRALL-LBPRGKRZSA-N 0 3 335.379 3.965 20 30 EHEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000046528664 1027669154 /nfs/dbraw/zinc/66/91/54/1027669154.db2.gz DUNLYPRBLDSGAW-NRFANRHFSA-N 0 3 346.430 3.583 20 30 EHEDHN N#Cc1ccc(OCCNCc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000533446309 1027911241 /nfs/dbraw/zinc/91/12/41/1027911241.db2.gz SDWVJVBUQOMMRR-UHFFFAOYSA-N 0 3 338.304 3.885 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3cccc(F)c3)C2)c(F)c1 ZINC000533445752 1027914329 /nfs/dbraw/zinc/91/43/29/1027914329.db2.gz IJUNUJIVUUCAPV-QGZVFWFLSA-N 0 3 327.378 3.595 20 30 EHEDHN C=CCN(CCC(=O)N1CCc2sccc2C1)Cc1cccs1 ZINC000055899495 1028298773 /nfs/dbraw/zinc/29/87/73/1028298773.db2.gz GPXSXVSJCOSBSQ-UHFFFAOYSA-N 0 3 346.521 3.773 20 30 EHEDHN Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)n1C ZINC000066545345 1028330400 /nfs/dbraw/zinc/33/04/00/1028330400.db2.gz IFUZQFQRJFNCBO-OAHLLOKOSA-N 0 3 346.415 3.819 20 30 EHEDHN Cc1ccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)n1C ZINC000066545345 1028330420 /nfs/dbraw/zinc/33/04/20/1028330420.db2.gz IFUZQFQRJFNCBO-OAHLLOKOSA-N 0 3 346.415 3.819 20 30 EHEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000523448454 1028344243 /nfs/dbraw/zinc/34/42/43/1028344243.db2.gz YLGNPICEOOJEDD-XLIONFOSSA-N 0 3 327.472 3.530 20 30 EHEDHN Clc1ccccc1C#CCNC1(c2ccccc2)CCOCC1 ZINC000532747682 1028765510 /nfs/dbraw/zinc/76/55/10/1028765510.db2.gz CGNIDKZGBFDBPP-UHFFFAOYSA-N 0 3 325.839 3.987 20 30 EHEDHN CC(C)(C)c1nc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2s1 ZINC000424111717 1028806887 /nfs/dbraw/zinc/80/68/87/1028806887.db2.gz HCMFSXUKRXYIQW-LBPRGKRZSA-N 0 3 330.457 3.553 20 30 EHEDHN CCC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424114881 1028812878 /nfs/dbraw/zinc/81/28/78/1028812878.db2.gz SPQAJXVAHFCZSB-LSDHHAIUSA-N 0 3 341.377 3.684 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000424137120 1028824747 /nfs/dbraw/zinc/82/47/47/1028824747.db2.gz LKSNECOLMHZOBS-SJORKVTESA-N 0 3 333.863 3.709 20 30 EHEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)nn1 ZINC000424292989 1028932899 /nfs/dbraw/zinc/93/28/99/1028932899.db2.gz HVTUWTCZEUUSSH-YJBOKZPZSA-N 0 3 330.863 3.619 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(C(C)(C)C)cn1 ZINC000422126089 1029078032 /nfs/dbraw/zinc/07/80/32/1029078032.db2.gz WFJXTNRLQXIBBX-AWEZNQCLSA-N 0 3 332.407 3.756 20 30 EHEDHN C=CCC[C@H](O)CN(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445895407 1029216258 /nfs/dbraw/zinc/21/62/58/1029216258.db2.gz GDTCCQHBUFQUCJ-ZFWWWQNUSA-N 0 3 340.261 3.532 20 30 EHEDHN N#Cc1ccc(CN2CCC(c3c[nH]c4ncccc34)CC2)cc1F ZINC000192106061 1029582990 /nfs/dbraw/zinc/58/29/90/1029582990.db2.gz VOQMGECEIPLOMV-UHFFFAOYSA-N 0 3 334.398 3.953 20 30 EHEDHN COc1ccc(CN2CCC(CCC#N)CC2)cc1OCCCC#N ZINC000583382219 1029738264 /nfs/dbraw/zinc/73/82/64/1029738264.db2.gz PTKBYCIUIFANQU-UHFFFAOYSA-N 0 3 341.455 3.894 20 30 EHEDHN N#CCC[C@@H](C#N)CNCC/C=C/c1ccc(Br)cc1 ZINC000600603783 1030045011 /nfs/dbraw/zinc/04/50/11/1030045011.db2.gz RLZUFQLZAUYABU-AWXVTKJVSA-N 0 3 332.245 3.886 20 30 EHEDHN C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1n1ccnc1 ZINC000245605168 1030161046 /nfs/dbraw/zinc/16/10/46/1030161046.db2.gz NBWVSMAZZMABMX-CRAIPNDOSA-N 0 3 347.384 3.837 20 30 EHEDHN C=CCC(CC=C)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000121204907 1030205399 /nfs/dbraw/zinc/20/53/99/1030205399.db2.gz FCUZEDVIPFPZOD-FQEVSTJZSA-N 0 3 342.483 3.717 20 30 EHEDHN Cc1ncccc1NC(=O)[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000453415943 1030231318 /nfs/dbraw/zinc/23/13/18/1030231318.db2.gz BOAGKGYTWUOIML-YWZLYKJASA-N 0 3 348.450 3.646 20 30 EHEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C1CCCC1 ZINC000170983661 1030347735 /nfs/dbraw/zinc/34/77/35/1030347735.db2.gz VNWVXAGTGNSGPD-AWEZNQCLSA-N 0 3 331.485 3.751 20 30 EHEDHN CN(C)Cc1cccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000075536609 1030404051 /nfs/dbraw/zinc/40/40/51/1030404051.db2.gz NJHGMEFMUWGGPD-SFTDATJTSA-N 0 3 347.462 3.660 20 30 EHEDHN Cc1ccc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000160191548 1030585158 /nfs/dbraw/zinc/58/51/58/1030585158.db2.gz DYCUWIGOVPISAY-GOEBONIOSA-N 0 3 327.403 3.918 20 30 EHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000060817763 1030676872 /nfs/dbraw/zinc/67/68/72/1030676872.db2.gz CAZMYBOYPILUOO-OAHLLOKOSA-N 0 3 325.408 3.873 20 30 EHEDHN Cc1nc(C)c(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000128713439 1030684622 /nfs/dbraw/zinc/68/46/22/1030684622.db2.gz KWRBMWXAVRJBGX-HNNXBMFYSA-N 0 3 349.415 3.874 20 30 EHEDHN C=CCCCN[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000448030238 1030686592 /nfs/dbraw/zinc/68/65/92/1030686592.db2.gz RXAYFBYWSFVIOS-LBPRGKRZSA-N 0 3 349.276 3.955 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@H](C)C2CCCCC2)CC1 ZINC000527728226 1031157926 /nfs/dbraw/zinc/15/79/26/1031157926.db2.gz HUDAZIAONCTKFQ-KRWDZBQOSA-N 0 3 335.536 3.885 20 30 EHEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000477192417 1031325093 /nfs/dbraw/zinc/32/50/93/1031325093.db2.gz UOOIANLXAIXVON-DYXWJJEUSA-N 0 3 341.499 3.699 20 30 EHEDHN Cc1oc(NC(=O)CN[C@]2(C)CCCc3ccccc32)c(C#N)c1C ZINC000483778564 1031328312 /nfs/dbraw/zinc/32/83/12/1031328312.db2.gz ZMQBOTRIHKPZPA-HXUWFJFHSA-N 0 3 337.423 3.548 20 30 EHEDHN COc1cccc([C@H](CN[C@@H](C)c2ccc(C#N)cc2F)OC)c1 ZINC000527932660 1031496359 /nfs/dbraw/zinc/49/63/59/1031496359.db2.gz XPZOEZMXOKQRKS-DJJJIMSYSA-N 0 3 328.387 3.744 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)cc1C)c1ccsc1 ZINC000161496968 1031572354 /nfs/dbraw/zinc/57/23/54/1031572354.db2.gz RJENLDIQXWUMBC-SFHVURJKSA-N 0 3 341.480 3.741 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475737149 1031716958 /nfs/dbraw/zinc/71/69/58/1031716958.db2.gz CNSCIVZFQCWBKZ-DOXZYTNZSA-N 0 3 349.906 3.818 20 30 EHEDHN CN(C)C[C@@H](Nc1ncccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000528213458 1031951992 /nfs/dbraw/zinc/95/19/92/1031951992.db2.gz OVGDQSUOQYEVIH-OAHLLOKOSA-N 0 3 335.238 3.975 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(OC(CC)CC)cc2)CC1 ZINC000449844578 1033308265 /nfs/dbraw/zinc/30/82/65/1033308265.db2.gz MFPDNQOWJTYZGH-UHFFFAOYSA-N 0 3 330.472 3.634 20 30 EHEDHN CC(C)(C)C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000594430018 1033366337 /nfs/dbraw/zinc/36/63/37/1033366337.db2.gz XKVWHOIRJDVZCJ-IAGOWNOFSA-N 0 3 333.451 3.830 20 30 EHEDHN CC(C)c1nc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2s1 ZINC000594431746 1033367853 /nfs/dbraw/zinc/36/78/53/1033367853.db2.gz QRTBWFVQKPBHBB-CYBMUJFWSA-N 0 3 330.457 3.769 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000594431256 1033368374 /nfs/dbraw/zinc/36/83/74/1033368374.db2.gz KFXIXSWEUBQGPR-KRWDZBQOSA-N 0 3 348.450 3.731 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000594435630 1033370869 /nfs/dbraw/zinc/37/08/69/1033370869.db2.gz DNXDRDCIZIBUHV-QGZVFWFLSA-N 0 3 343.377 3.982 20 30 EHEDHN C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594433778 1033371290 /nfs/dbraw/zinc/37/12/90/1033371290.db2.gz SLGGVICXFSLGQC-VJUNAUMWSA-N 0 3 333.863 3.565 20 30 EHEDHN C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594433780 1033371955 /nfs/dbraw/zinc/37/19/55/1033371955.db2.gz SLGGVICXFSLGQC-ZFVVBOAOSA-N 0 3 333.863 3.565 20 30 EHEDHN Cc1cccc(C(NC(=O)[C@@H](N)CCCCC#N)c2cccc(C)c2)c1 ZINC000594434465 1033372898 /nfs/dbraw/zinc/37/28/98/1033372898.db2.gz ZODQYBBWDTUHPH-FQEVSTJZSA-N 0 3 349.478 3.920 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000594447916 1033378072 /nfs/dbraw/zinc/37/80/72/1033378072.db2.gz XNGKJWPGRPQATD-IAGOWNOFSA-N 0 3 341.480 3.559 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000594424626 1033389074 /nfs/dbraw/zinc/38/90/74/1033389074.db2.gz HHQOSBBFHIVZQO-NRFANRHFSA-N 0 3 349.478 3.669 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000594426557 1033390095 /nfs/dbraw/zinc/39/00/95/1033390095.db2.gz FBAXTMGMWQWQLF-NHCUHLMSSA-N 0 3 349.478 3.888 20 30 EHEDHN Cc1ccc(-c2csc(NC(=O)[C@@H](N)CCCCC#N)n2)c(C)c1 ZINC000594424582 1033390274 /nfs/dbraw/zinc/39/02/74/1033390274.db2.gz BJXAKVIMCYQHDP-HNNXBMFYSA-N 0 3 342.468 3.777 20 30 EHEDHN CCNC(=O)c1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594496051 1033398023 /nfs/dbraw/zinc/39/80/23/1033398023.db2.gz YCUZFBMJFHOKOU-UHFFFAOYSA-N 0 3 335.451 3.527 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2csc3c2CC[C@H](C)C3)CC1 ZINC000106037250 1033529603 /nfs/dbraw/zinc/52/96/03/1033529603.db2.gz UJJQMEBOOUHNGN-AWEZNQCLSA-N 0 3 332.513 3.643 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000594937451 1033585215 /nfs/dbraw/zinc/58/52/15/1033585215.db2.gz ISJKODBODNVNIK-TZIWHRDSSA-N 0 3 334.419 3.503 20 30 EHEDHN COc1cc(CN2CC[C@@H]3C[C@@H]32)ccc1OCc1cccc(C#N)c1 ZINC000761087428 1033621821 /nfs/dbraw/zinc/62/18/21/1033621821.db2.gz PEYXSFBLWYZTOD-MOPGFXCFSA-N 0 3 334.419 3.740 20 30 EHEDHN COCCN(CCCOc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000063753499 1033665969 /nfs/dbraw/zinc/66/59/69/1033665969.db2.gz DDYLJPJABIFCTH-UHFFFAOYSA-N 0 3 338.451 3.784 20 30 EHEDHN COc1ccnc(CNC2CCC(C#N)(c3ccccc3)CC2)c1F ZINC000595080569 1033697000 /nfs/dbraw/zinc/69/70/00/1033697000.db2.gz MZBSWBRJBDLSQB-UHFFFAOYSA-N 0 3 339.414 3.723 20 30 EHEDHN Cn1c2cc(CN[C@H]3CCCCc4cc(C#N)ccc43)ccc2oc1=O ZINC000599085374 1033724551 /nfs/dbraw/zinc/72/45/51/1033724551.db2.gz ZMGHJCVTYLXQHJ-SFHVURJKSA-N 0 3 347.418 3.560 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccncc2)ccc1OC ZINC000174091433 1033735944 /nfs/dbraw/zinc/73/59/44/1033735944.db2.gz ARKURRHHPPEUGZ-WMLDXEAASA-N 0 3 325.412 3.622 20 30 EHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(N2CCCC2=O)cc1 ZINC000176956326 1033868500 /nfs/dbraw/zinc/86/85/00/1033868500.db2.gz JBWOXWUNPXLYHX-ZDUSSCGKSA-N 0 3 325.437 3.597 20 30 EHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595601314 1033915407 /nfs/dbraw/zinc/91/54/07/1033915407.db2.gz ATWGPSVLCYCPSR-XJKSGUPXSA-N 0 3 342.399 3.869 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599580863 1034021411 /nfs/dbraw/zinc/02/14/11/1034021411.db2.gz GYXVIHPNHJWJGC-RKVPGOIHSA-N 0 3 328.456 3.919 20 30 EHEDHN CCc1nc(C#N)cc(S[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000596275905 1034138958 /nfs/dbraw/zinc/13/89/58/1034138958.db2.gz ZXCCVYAFMYGSNP-KRWDZBQOSA-N 0 3 338.480 3.667 20 30 EHEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000658334014 1034205053 /nfs/dbraw/zinc/20/50/53/1034205053.db2.gz AJSIFSOANZBWFH-WCBMZHEXSA-N 0 3 338.167 3.665 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000171563398 1034464079 /nfs/dbraw/zinc/46/40/79/1034464079.db2.gz UNYKYTJGKXQGNL-ZIAGYGMSSA-N 0 3 325.368 3.736 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccc(C)o1 ZINC000604776389 1034489148 /nfs/dbraw/zinc/48/91/48/1034489148.db2.gz YJPJPSSKEAYFSA-RBUKOAKNSA-N 0 3 341.451 3.893 20 30 EHEDHN N#CCCCOc1cccc(CN2CCC(c3ccon3)CC2)c1 ZINC000597227892 1034609400 /nfs/dbraw/zinc/60/94/00/1034609400.db2.gz IENYVFHUZVFYHK-UHFFFAOYSA-N 0 3 325.412 3.737 20 30 EHEDHN C[C@H]1C[C@H](NC(=O)CC2(C#N)CCCCC2)CN1Cc1ccccc1 ZINC000597371124 1034722401 /nfs/dbraw/zinc/72/24/01/1034722401.db2.gz BEOPBMFCZITSCV-HKUYNNGSSA-N 0 3 339.483 3.630 20 30 EHEDHN CC1(C)CO[C@H](CCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000892490309 1034839306 /nfs/dbraw/zinc/83/93/06/1034839306.db2.gz SICDCKPBJJTVCH-CHWSQXEVSA-N 0 3 348.830 3.583 20 30 EHEDHN CC(C)[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(C(C)(C)C)cc1 ZINC000548939031 1035055818 /nfs/dbraw/zinc/05/58/18/1035055818.db2.gz VEXMKWZWSHTVRE-IBGZPJMESA-N 0 3 341.499 3.833 20 30 EHEDHN N#Cc1ccc(CN(CCCO)[C@H]2CCCc3ccccc32)s1 ZINC000180000686 1035148121 /nfs/dbraw/zinc/14/81/21/1035148121.db2.gz WSBXGXDVVBTBCN-IBGZPJMESA-N 0 3 326.465 3.882 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000431725779 1035373628 /nfs/dbraw/zinc/37/36/28/1035373628.db2.gz OHRLXTULUZXITL-APWZRJJASA-N 0 3 348.450 3.824 20 30 EHEDHN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000177946010 1035462068 /nfs/dbraw/zinc/46/20/68/1035462068.db2.gz CJKBHPCVSSTACV-AWEZNQCLSA-N 0 3 330.771 3.765 20 30 EHEDHN COc1ccc2[nH]cc(CC(=O)C(C#N)c3nc4ccccc4o3)c2c1 ZINC000066516811 1035564247 /nfs/dbraw/zinc/56/42/47/1035564247.db2.gz GWFVYZPOPUBXGG-HNNXBMFYSA-N 0 3 345.358 3.737 20 30 EHEDHN C#CCCOc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186453901 1035637428 /nfs/dbraw/zinc/63/74/28/1035637428.db2.gz SFQUQOQJHMZAHF-QFIPXVFZSA-N 0 3 333.431 3.720 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOCc1ccccc1 ZINC000127630652 1036875912 /nfs/dbraw/zinc/87/59/12/1036875912.db2.gz NPYQKGFPBBGNQL-QGZVFWFLSA-N 0 3 347.418 3.747 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000462472271 1037017353 /nfs/dbraw/zinc/01/73/53/1037017353.db2.gz XPIWMWCBEJOCBY-DAYGRLMNSA-N 0 3 339.439 3.500 20 30 EHEDHN C=CCN(CC(=O)N(C)Cc1ccccc1OC)CC1CCCCC1 ZINC000303459794 1037431916 /nfs/dbraw/zinc/43/19/16/1037431916.db2.gz NTTPKAOIWMHXEY-UHFFFAOYSA-N 0 3 344.499 3.722 20 30 EHEDHN CC(C)c1ccc([C@@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C(C)C)cc1 ZINC000007804179 1037622507 /nfs/dbraw/zinc/62/25/07/1037622507.db2.gz DAONRNXCCMLAEL-SFTDATJTSA-N 0 3 341.499 3.905 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)c(F)c1 ZINC000271908208 1037692485 /nfs/dbraw/zinc/69/24/85/1037692485.db2.gz CVUULZFQJDCETD-CHWSQXEVSA-N 0 3 326.371 3.880 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000494162967 1037892737 /nfs/dbraw/zinc/89/27/37/1037892737.db2.gz HRKBUFCJYFEREC-XLIONFOSSA-N 0 3 341.499 3.820 20 30 EHEDHN N#Cc1cccc(CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)c1F ZINC000592168593 1037913850 /nfs/dbraw/zinc/91/38/50/1037913850.db2.gz SJYDHTKVCVMXFQ-WOJBJXKFSA-N 0 3 338.426 3.655 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OCC(C)C)c2)CC1 ZINC000592335681 1037925803 /nfs/dbraw/zinc/92/58/03/1037925803.db2.gz KHZIWQLVHPRNEW-UHFFFAOYSA-N 0 3 345.487 3.883 20 30 EHEDHN CN(Cc1ccc2c(c1)OCCO2)Cc1ccccc1C(C)(C)C#N ZINC000532622495 1037943803 /nfs/dbraw/zinc/94/38/03/1037943803.db2.gz AXDHCYNBQXKQSN-UHFFFAOYSA-N 0 3 336.435 3.891 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2cccc(C)c2C)CC1 ZINC000173196144 1037970545 /nfs/dbraw/zinc/97/05/45/1037970545.db2.gz OGJZYBXEAGHQMX-HXUWFJFHSA-N 0 3 341.499 3.800 20 30 EHEDHN N#Cc1cccc(OC2CCN(CCOCc3ccccc3)CC2)c1 ZINC000595302816 1037976534 /nfs/dbraw/zinc/97/65/34/1037976534.db2.gz KSWPAADCVJXCEC-UHFFFAOYSA-N 0 3 336.435 3.618 20 30 EHEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000893206843 1038483646 /nfs/dbraw/zinc/48/36/46/1038483646.db2.gz HRZNNSNCOXPGFZ-XXBNENTESA-N 0 3 349.474 3.953 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000539391613 1038889210 /nfs/dbraw/zinc/88/92/10/1038889210.db2.gz LNCOSISVNBXXJC-LNLFQRSKSA-N 0 3 329.488 3.866 20 30 EHEDHN C=CCCCCCN[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000488120443 1038894030 /nfs/dbraw/zinc/89/40/30/1038894030.db2.gz VXOIDHNAQVDPEC-INIZCTEOSA-N 0 3 328.378 3.742 20 30 EHEDHN N#CC(=C([O-])c1cccc(C[NH+]2CCCC2)c1)c1nc2ccccc2[nH]1 ZINC000554305192 1039200493 /nfs/dbraw/zinc/20/04/93/1039200493.db2.gz FUTONEQPYNUTNQ-KRWDZBQOSA-N 0 3 344.418 3.649 20 30 EHEDHN Cc1ccccc1[C@H](C(C)C)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000488772947 1039394190 /nfs/dbraw/zinc/39/41/90/1039394190.db2.gz XVCQXFVHJDUZNP-QFIPXVFZSA-N 0 3 349.478 3.812 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 ZINC000912225696 1039759274 /nfs/dbraw/zinc/75/92/74/1039759274.db2.gz LQPNFGNDZRWAGO-INIZCTEOSA-N 0 3 349.475 3.670 20 30 EHEDHN C[C@H](NC(=O)[C@]1(C#N)CC2CCC1CC2)[C@@H](c1ccccc1)N(C)C ZINC000907446786 1040061188 /nfs/dbraw/zinc/06/11/88/1040061188.db2.gz KGIVCBGJPVQWHX-UOVBNGHVSA-N 0 3 339.483 3.514 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000486497614 1040190282 /nfs/dbraw/zinc/19/02/82/1040190282.db2.gz UAJAABCKUKPHQT-ICSRJNTNSA-N 0 3 341.499 3.662 20 30 EHEDHN CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169755 1040345509 /nfs/dbraw/zinc/34/55/09/1040345509.db2.gz RSGYIMHVWVJLAQ-INIZCTEOSA-N 0 3 328.456 3.651 20 30 EHEDHN CC(C)[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000029197476 1040392760 /nfs/dbraw/zinc/39/27/60/1040392760.db2.gz SCBOWGZWCWQQFR-AEFFLSMTSA-N 0 3 327.472 3.704 20 30 EHEDHN CC(=O)c1cccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433024836 1040485951 /nfs/dbraw/zinc/48/59/51/1040485951.db2.gz ZENIWOOYKIDVAQ-FQEVSTJZSA-N 0 3 349.434 3.852 20 30 EHEDHN CC[C@@H]1CCCCN1C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433030655 1040507015 /nfs/dbraw/zinc/50/70/15/1040507015.db2.gz KUZIJXOVEBMOEA-MOPGFXCFSA-N 0 3 327.472 3.802 20 30 EHEDHN N#Cc1cc2ccccc2nc1N1CCCN(Cc2ccccc2)CC1 ZINC000323785971 1040623937 /nfs/dbraw/zinc/62/39/37/1040623937.db2.gz HHDHUTUVVYLJAV-UHFFFAOYSA-N 0 3 342.446 3.819 20 30 EHEDHN COCCc1nc(C)c([C@H](C)N[C@H](C)c2ccc(C#N)cc2)s1 ZINC000092740969 1040968305 /nfs/dbraw/zinc/96/83/05/1040968305.db2.gz UWSPNXITRNTNKO-OLZOCXBDSA-N 0 3 329.469 3.924 20 30 EHEDHN COCCc1nc(C)c([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000092740967 1040971702 /nfs/dbraw/zinc/97/17/02/1040971702.db2.gz UWSPNXITRNTNKO-STQMWFEESA-N 0 3 329.469 3.924 20 30 EHEDHN COc1ccccc1O[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000586784596 1041019362 /nfs/dbraw/zinc/01/93/62/1041019362.db2.gz RVLSHXZNSTUARM-IBGZPJMESA-N 0 3 336.435 3.919 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](C)[C@@H](C)[C@H]2C)c1C ZINC000419336766 1041403011 /nfs/dbraw/zinc/40/30/11/1041403011.db2.gz AOQKCGQVHJTRBF-LZLYRXPVSA-N 0 3 327.472 3.526 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2c(C)cccc2C)CC1 ZINC000660707264 1041779930 /nfs/dbraw/zinc/77/99/30/1041779930.db2.gz NDWIYTUEBQUZNS-LJQANCHMSA-N 0 3 341.499 3.800 20 30 EHEDHN N#Cc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)c(F)c1 ZINC000278841619 1041883585 /nfs/dbraw/zinc/88/35/85/1041883585.db2.gz JJCZTMJSYKAEDU-UHFFFAOYSA-N 0 3 338.430 3.610 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@H]1CC=CCC1 ZINC000344032824 1043141700 /nfs/dbraw/zinc/14/17/00/1043141700.db2.gz DTJSTXDXQPIQGB-MSOLQXFVSA-N 0 3 325.456 3.610 20 30 EHEDHN N#CCCn1cc(CN2CCC[C@@H]3CCC[C@H]32)c(-c2ccncc2)n1 ZINC000279494272 1044133155 /nfs/dbraw/zinc/13/31/55/1044133155.db2.gz YFJPGRBHDQPRLC-QFBILLFUSA-N 0 3 335.455 3.623 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc3c(c2)COC3)cc1OC ZINC000344998086 1044801249 /nfs/dbraw/zinc/80/12/49/1044801249.db2.gz PNAGNHSBEWNHFM-UHFFFAOYSA-N 0 3 325.408 3.580 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000620313107 1125541795 /nfs/dbraw/zinc/54/17/95/1125541795.db2.gz VXHFUTJSJYVHLC-YSIASYRMSA-N 0 3 342.458 3.747 20 30 EHEDHN N#CC1(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CC2)CCCCC1 ZINC000171127819 1126752183 /nfs/dbraw/zinc/75/21/83/1126752183.db2.gz PTPJULFVMCIARU-GOSISDBHSA-N 0 3 345.874 3.723 20 30 EHEDHN CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000072597756 1126793873 /nfs/dbraw/zinc/79/38/73/1126793873.db2.gz UHIKZUNWXRPAJU-UHFFFAOYSA-N 0 3 337.423 3.505 20 30 EHEDHN CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000072597756 1126793876 /nfs/dbraw/zinc/79/38/76/1126793876.db2.gz UHIKZUNWXRPAJU-UHFFFAOYSA-N 0 3 337.423 3.505 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000192591354 1126920040 /nfs/dbraw/zinc/92/00/40/1126920040.db2.gz DWVNCINGTGYFGC-KXBFYZLASA-N 0 3 330.472 3.549 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000180288650 1127140525 /nfs/dbraw/zinc/14/05/25/1127140525.db2.gz DWYBWOXXXKALJN-FOIQADDNSA-N 0 3 345.462 3.655 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000181419385 1127276188 /nfs/dbraw/zinc/27/61/88/1127276188.db2.gz VPRGNPXBLLZYRI-SFHVURJKSA-N 0 3 329.488 3.649 20 30 EHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000765015915 1127565909 /nfs/dbraw/zinc/56/59/09/1127565909.db2.gz RXUYOJJQJZACCU-INIZCTEOSA-N 0 3 346.434 3.722 20 30 EHEDHN CN(C)[C@H](CNc1ccc2cc(C#N)ccc2n1)c1cccc(F)c1 ZINC000301808958 1128606256 /nfs/dbraw/zinc/60/62/56/1128606256.db2.gz GILSZWWAOBDIEN-LJQANCHMSA-N 0 3 334.398 3.960 20 30 EHEDHN N#Cc1ccc(N2CCCC[C@H](N3CCCC3)C2)c(Br)c1 ZINC000301846475 1128608140 /nfs/dbraw/zinc/60/81/40/1128608140.db2.gz AUMRPSYMELHMQB-HNNXBMFYSA-N 0 3 348.288 3.775 20 30 EHEDHN N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000765928674 1128759978 /nfs/dbraw/zinc/75/99/78/1128759978.db2.gz YQENPUSEJCOHEM-OLMNPRSZSA-N 0 3 347.890 3.682 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000171605875 1120559328 /nfs/dbraw/zinc/55/93/28/1120559328.db2.gz CFWMNJQLCHIMPI-RTWAWAEBSA-N 0 3 334.463 3.710 20 30 EHEDHN CCC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000190609640 1120644637 /nfs/dbraw/zinc/64/46/37/1120644637.db2.gz KQFGABWYTYENNR-LEWJYISDSA-N 0 3 347.462 3.790 20 30 EHEDHN CC(C)(C)OC(=O)N(CC1CC1)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000495589777 1121286724 /nfs/dbraw/zinc/28/67/24/1121286724.db2.gz BFZUGNYSGGXGBE-AEFFLSMTSA-N 0 3 347.503 3.790 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(C(C)C)cc2)CC1 ZINC000171736656 1121651201 /nfs/dbraw/zinc/65/12/01/1121651201.db2.gz RPWXNWBHOAWGNS-UHFFFAOYSA-N 0 3 329.488 3.602 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000171738241 1121660547 /nfs/dbraw/zinc/66/05/47/1121660547.db2.gz WCGSENGGNUKXTL-GOSISDBHSA-N 0 3 347.890 3.837 20 30 EHEDHN C=C(C)CN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000672556715 1129012233 /nfs/dbraw/zinc/01/22/33/1129012233.db2.gz VYUUCRWQYBWGSW-KRWDZBQOSA-N 0 3 337.895 3.940 20 30 EHEDHN C=C[C@@H](CC(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC000124783140 1122296135 /nfs/dbraw/zinc/29/61/35/1122296135.db2.gz NPZNBFZRPANHEZ-PZJWPPBQSA-N 0 3 336.479 3.635 20 30 EHEDHN N#CC(C(=O)C1=Cc2ccccc2OC1)c1ccc2ccccc2n1 ZINC000916849704 1122361189 /nfs/dbraw/zinc/36/11/89/1122361189.db2.gz YBVKXIGNYQSQFU-KRWDZBQOSA-N 0 3 326.355 3.887 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1ccsc1 ZINC000917057579 1122457111 /nfs/dbraw/zinc/45/71/11/1122457111.db2.gz GOQFAQZAFJUPBY-ZDUSSCGKSA-N 0 3 341.461 3.666 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CCCCC1 ZINC000917094250 1122495244 /nfs/dbraw/zinc/49/52/44/1122495244.db2.gz OFHPGUYFGZJRBG-OAHLLOKOSA-N 0 3 341.480 3.985 20 30 EHEDHN C=CCOc1ccc(CN[C@H](CC)[C@@H](O)C(F)(F)F)cc1Cl ZINC000498368725 1122886389 /nfs/dbraw/zinc/88/63/89/1122886389.db2.gz CBFGGWCFWRUMEI-TZMCWYRMSA-N 0 3 337.769 3.696 20 30 EHEDHN C=CCOc1ccc(CN[C@@H](CC)[C@H](O)C(F)(F)F)cc1Cl ZINC000498368723 1122886640 /nfs/dbraw/zinc/88/66/40/1122886640.db2.gz CBFGGWCFWRUMEI-JSGCOSHPSA-N 0 3 337.769 3.696 20 30 EHEDHN C=CCOc1ccc(CN[C@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000556409886 1122967537 /nfs/dbraw/zinc/96/75/37/1122967537.db2.gz HDBDXFJUOKTTGI-OAQYLSRUSA-N 0 3 340.467 3.653 20 30 EHEDHN C#Cc1cccc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000919772849 1123147266 /nfs/dbraw/zinc/14/72/66/1123147266.db2.gz OBVMFLLOCQIZSO-OXJNMPFZSA-N 0 3 333.435 3.625 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000920173038 1123331936 /nfs/dbraw/zinc/33/19/36/1123331936.db2.gz NOQCYFGPKYFMJV-XSFVSMFZSA-N 0 3 341.411 3.808 20 30 EHEDHN Cc1ccc(OC2CCN(CCOc3cccc(C#N)c3)CC2)cc1 ZINC000609739599 1123657934 /nfs/dbraw/zinc/65/79/34/1123657934.db2.gz ZRZHQLYCSXQBLH-UHFFFAOYSA-N 0 3 336.435 3.789 20 30 EHEDHN C[C@@H]1c2ccc(F)cc2CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000610004014 1123711422 /nfs/dbraw/zinc/71/14/22/1123711422.db2.gz YUXDFCVCJUQLBY-CQSZACIVSA-N 0 3 337.398 3.645 20 30 EHEDHN C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000068310666 1123911044 /nfs/dbraw/zinc/91/10/44/1123911044.db2.gz SMQUVZQCDQSXFK-GOSISDBHSA-N 0 3 349.478 3.642 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2c(CC)ccc(Cl)c2CC)CC1 ZINC000068918611 1124058448 /nfs/dbraw/zinc/05/84/48/1124058448.db2.gz QOFGBKVIBISHCW-UHFFFAOYSA-N 0 3 332.875 3.749 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180918609 1124101711 /nfs/dbraw/zinc/10/17/11/1124101711.db2.gz BALKBXRGGDKDSB-ZWKOTPCHSA-N 0 3 349.478 3.988 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]3CCC[C@H]32)c1C ZINC000247524625 1124615865 /nfs/dbraw/zinc/61/58/65/1124615865.db2.gz NSORPVVEFSMIQM-AZUAARDMSA-N 0 3 339.483 3.815 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Oc2cnccn2)cc1 ZINC000618741614 1125178923 /nfs/dbraw/zinc/17/89/23/1125178923.db2.gz HEGZQXUGIIJKFO-HXUWFJFHSA-N 0 3 342.402 3.918 20 30 EHEDHN COc1cc(CNC[C@H](OC)c2ccccc2Cl)ccc1C#N ZINC000619654266 1125378485 /nfs/dbraw/zinc/37/84/85/1125378485.db2.gz AQVUVWPQICZYIY-SFHVURJKSA-N 0 3 330.815 3.698 20 30 EHEDHN CCSC1(CNCc2cc(C#N)ccc2Br)CC1 ZINC000922260314 1129408616 /nfs/dbraw/zinc/40/86/16/1129408616.db2.gz WZINYABHEDHNDN-UHFFFAOYSA-N 0 3 325.275 3.696 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)nc21 ZINC000735791692 1131380625 /nfs/dbraw/zinc/38/06/25/1131380625.db2.gz BOUXMKLUPZNAPD-ARFHVFGLSA-N 0 3 333.366 3.990 20 30 EHEDHN N#Cc1ccc(CNc2nc3ccc(F)cc3[nH]2)c(C(F)(F)F)c1 ZINC000555145909 1129561642 /nfs/dbraw/zinc/56/16/42/1129561642.db2.gz SYJRROJKDPMZMJ-UHFFFAOYSA-N 0 3 334.276 3.626 20 30 EHEDHN CCCCCCCCCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000736049982 1131404154 /nfs/dbraw/zinc/40/41/54/1131404154.db2.gz PGSWAIDHXZFEHB-UHFFFAOYSA-N 0 3 338.536 3.698 20 30 EHEDHN N#Cc1ccc(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000171127622 1130014730 /nfs/dbraw/zinc/01/47/30/1130014730.db2.gz PUGZRFNMHQAILU-LJQANCHMSA-N 0 3 339.826 3.891 20 30 EHEDHN CC(C)(NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1F ZINC000429247574 1130329442 /nfs/dbraw/zinc/32/94/42/1130329442.db2.gz WRDDVJYFMFERMU-UHFFFAOYSA-N 0 3 325.387 3.551 20 30 EHEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000174662183 1130375612 /nfs/dbraw/zinc/37/56/12/1130375612.db2.gz QGLZIBZWYHKJIO-LBPRGKRZSA-N 0 3 329.350 3.516 20 30 EHEDHN C=CCN1CCC(NC(=O)/C=C(\C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000729978626 1130661688 /nfs/dbraw/zinc/66/16/88/1130661688.db2.gz SHAYWASIXOVHMR-CXUHLZMHSA-N 0 3 342.527 3.916 20 30 EHEDHN CO[C@@](C)(C(=O)C(C#N)c1ccc2ccccc2n1)c1ccccc1 ZINC000730394633 1130705027 /nfs/dbraw/zinc/70/50/27/1130705027.db2.gz JUAPZAUCJIXOOG-LAUBAEHRSA-N 0 3 330.387 3.973 20 30 EHEDHN C#CCOc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000731011392 1130760271 /nfs/dbraw/zinc/76/02/71/1130760271.db2.gz ODHUYNHSNGTVFE-UHFFFAOYSA-N 0 3 334.419 3.547 20 30 EHEDHN CC(C)OC(=O)CC[C@H](C)N1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001172773153 1131842658 /nfs/dbraw/zinc/84/26/58/1131842658.db2.gz LWTHSOBQAZVBQV-LPHOPBHVSA-N 0 3 344.455 3.522 20 30 EHEDHN CC(C)OC(=O)CC[C@H](C)N1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001172773155 1131843145 /nfs/dbraw/zinc/84/31/45/1131843145.db2.gz LWTHSOBQAZVBQV-QFBILLFUSA-N 0 3 344.455 3.522 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)CC(C)(C)c1ccccc1 ZINC000743449615 1131920412 /nfs/dbraw/zinc/92/04/12/1131920412.db2.gz SQYHVOLVAHYQFB-KRWDZBQOSA-N 0 3 328.456 3.760 20 30 EHEDHN C=CCOc1ccccc1[C@@H](C)N[C@@H]1COc2cccc(OC)c2C1 ZINC001173160611 1131988022 /nfs/dbraw/zinc/98/80/22/1131988022.db2.gz JEQCVAXLRVYPIN-CVEARBPZSA-N 0 3 339.435 3.914 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC3(CCCC3)C2)cc1 ZINC000743864177 1131991347 /nfs/dbraw/zinc/99/13/47/1131991347.db2.gz JKBIFVXIWYWJAB-SFHVURJKSA-N 0 3 339.483 3.896 20 30 EHEDHN COc1cccc2c1C[C@H](N1CCC(c3ccc(C#N)cc3)CC1)CO2 ZINC001173168288 1131999554 /nfs/dbraw/zinc/99/95/54/1131999554.db2.gz OCIZESNVXRYINA-IBGZPJMESA-N 0 3 348.446 3.750 20 30 EHEDHN C=CCOC1CCC(N2CCN(c3ccc(C(C)=O)cc3)CC2)CC1 ZINC001173327058 1132048189 /nfs/dbraw/zinc/04/81/89/1132048189.db2.gz CPOCVJQCZKVWLE-UHFFFAOYSA-N 0 3 342.483 3.525 20 30 EHEDHN CC(C)C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000744408939 1132091401 /nfs/dbraw/zinc/09/14/01/1132091401.db2.gz HISZPAZAUNPXQG-OAHLLOKOSA-N 0 3 341.480 3.841 20 30 EHEDHN CC(C)(C)OC(=O)N1CCN(C2CCC(C)(C#N)CC2)CC1(C)C ZINC001173599897 1132102064 /nfs/dbraw/zinc/10/20/64/1132102064.db2.gz RZLHYNLKIQPFHD-UHFFFAOYSA-N 0 3 335.492 3.790 20 30 EHEDHN Cc1ccc(-n2ncc(C#N)c2Nc2ccccc2CN(C)C)cc1 ZINC001173928718 1132188313 /nfs/dbraw/zinc/18/83/13/1132188313.db2.gz BMJRXSBXPCNJOU-UHFFFAOYSA-N 0 3 331.423 3.858 20 30 EHEDHN CCN1CCN(c2ccc(Nc3nc(Cl)c(C#N)s3)cc2)CC1 ZINC000804328200 1132766631 /nfs/dbraw/zinc/76/66/31/1132766631.db2.gz YZEIDUZRBPVGBI-UHFFFAOYSA-N 0 3 347.875 3.554 20 30 EHEDHN N#CCc1ccc(C(F)(F)F)cc1N1CCCc2ccc(CN)nc21 ZINC001169590540 1132790547 /nfs/dbraw/zinc/79/05/47/1132790547.db2.gz HQQSUKPPRDMWSP-UHFFFAOYSA-N 0 3 346.356 3.709 20 30 EHEDHN N#Cc1cccc(NC(=O)CN[C@@H]2CCc3cccc4cccc2c43)c1 ZINC001176333304 1132901156 /nfs/dbraw/zinc/90/11/56/1132901156.db2.gz CUQSWTPINXOQPN-HXUWFJFHSA-N 0 3 341.414 3.927 20 30 EHEDHN N#CC(C(=O)CCC(=O)c1cccc(F)c1)c1nc2ccccc2[nH]1 ZINC000767433666 1133001764 /nfs/dbraw/zinc/00/17/64/1133001764.db2.gz MWICSRUMFXTUGG-AWEZNQCLSA-N 0 3 335.338 3.541 20 30 EHEDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)ccc1C#N ZINC000767691163 1133040389 /nfs/dbraw/zinc/04/03/89/1133040389.db2.gz ALNUTKWXXKAHEQ-HNNXBMFYSA-N 0 3 335.407 3.674 20 30 EHEDHN CN(Cc1ccc(C#N)s1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000769566013 1133315827 /nfs/dbraw/zinc/31/58/27/1133315827.db2.gz BTWBYROLPJEBPM-UHFFFAOYSA-N 0 3 337.489 3.602 20 30 EHEDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1csc(C#N)c1 ZINC001180345022 1133359085 /nfs/dbraw/zinc/35/90/85/1133359085.db2.gz PEIPUMOTQIHRND-QGZVFWFLSA-N 0 3 337.489 3.649 20 30 EHEDHN CN1CCC(N(C(=O)CC2(C#N)CCCCC2)C2CCCC2)CC1 ZINC001181363551 1133480518 /nfs/dbraw/zinc/48/05/18/1133480518.db2.gz XTZWLQPYAGELQM-UHFFFAOYSA-N 0 3 331.504 3.716 20 30 EHEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCC#Cc1ccccc1 ZINC001181592230 1133502965 /nfs/dbraw/zinc/50/29/65/1133502965.db2.gz YRZJFYNUTNQBDK-LMMKCTJWSA-N 0 3 342.483 3.662 20 30 EHEDHN COc1ccc(C(C)=NOC2CCOCC2)cc1CN1CCCCC1 ZINC000774429277 1133676355 /nfs/dbraw/zinc/67/63/55/1133676355.db2.gz AWJHTFWGKMSIBU-UHFFFAOYSA-N 0 3 346.471 3.601 20 30 EHEDHN C[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1 ZINC001182799434 1133730317 /nfs/dbraw/zinc/73/03/17/1133730317.db2.gz NLBQDZTZPQYNGT-UTKZUKDTSA-N 0 3 347.462 3.615 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CCCCCC1 ZINC000787071710 1133945569 /nfs/dbraw/zinc/94/55/69/1133945569.db2.gz DZTMIUNWRYLCSK-SFHVURJKSA-N 0 3 326.440 3.714 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CC[C@@H](OC)C(F)(F)F)c([O-])c1 ZINC000787139910 1133957989 /nfs/dbraw/zinc/95/79/89/1133957989.db2.gz CXRNRGXWWRPQSA-UWOKGBPVSA-N 0 3 332.366 3.625 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3c(c2)ncn3C)c1 ZINC000774813459 1134023075 /nfs/dbraw/zinc/02/30/75/1134023075.db2.gz FTCQGHDRSDRRAJ-KRWDZBQOSA-N 0 3 334.423 3.544 20 30 EHEDHN N#Cc1ccc(CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)nc1 ZINC000788021979 1134074201 /nfs/dbraw/zinc/07/42/01/1134074201.db2.gz JRXDNOZNDMGXKX-MSOLQXFVSA-N 0 3 341.480 3.883 20 30 EHEDHN CCOc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1OCC ZINC000746740608 1134106029 /nfs/dbraw/zinc/10/60/29/1134106029.db2.gz GHRFFPAEGCVDDE-UHFFFAOYSA-N 0 3 340.423 3.654 20 30 EHEDHN COc1ccc(CNCc2c[nH]nc2-c2cccc(C)c2)cc1C#N ZINC000746740040 1134107710 /nfs/dbraw/zinc/10/77/10/1134107710.db2.gz CHQXJNJZVUSFHQ-UHFFFAOYSA-N 0 3 332.407 3.555 20 30 EHEDHN C#CCN(CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1 ZINC001170093535 1134194099 /nfs/dbraw/zinc/19/40/99/1134194099.db2.gz BFLMTUNTGDVFRX-JOCHJYFZSA-N 0 3 346.474 3.706 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](COC)Cc2ccccc2)c([O-])c1 ZINC000746817148 1134273295 /nfs/dbraw/zinc/27/32/95/1134273295.db2.gz WWKHUEFKSNJOGT-MLPWYGTASA-N 0 3 340.467 3.915 20 30 EHEDHN Cc1cc(F)c(C#N)c(N2CCN[C@H](c3ccc(Cl)cc3)C2)c1 ZINC001187932287 1134402054 /nfs/dbraw/zinc/40/20/54/1134402054.db2.gz UTEGGIGLDWAUOA-KRWDZBQOSA-N 0 3 329.806 3.810 20 30 EHEDHN N#CC(C(=O)CCCc1nc(C2CC2)no1)c1nccc2ccccc21 ZINC000792105100 1134650313 /nfs/dbraw/zinc/65/03/13/1134650313.db2.gz ZSQLICXCUFDNBU-INIZCTEOSA-N 0 3 346.390 3.694 20 30 EHEDHN CO[C@@](C)(C(=O)C(C#N)c1nccc2ccccc21)c1ccccc1 ZINC000792103470 1134650806 /nfs/dbraw/zinc/65/08/06/1134650806.db2.gz RXGPCFJMRDIDSQ-WIYYLYMNSA-N 0 3 330.387 3.973 20 30 EHEDHN C=C(Br)CN[C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000792969600 1134833192 /nfs/dbraw/zinc/83/31/92/1134833192.db2.gz MLVGCCMRXVTIHD-NEPJUHHUSA-N 0 3 328.250 3.694 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cc(F)c(F)cc3F)nc21 ZINC000793158028 1134857447 /nfs/dbraw/zinc/85/74/47/1134857447.db2.gz YWFJWHZSJSAABF-NSHDSACASA-N 0 3 343.308 3.708 20 30 EHEDHN N#Cc1cccc(CN2CCC[C@@H](Cn3cnc4ccccc43)C2)c1F ZINC001193509161 1135148498 /nfs/dbraw/zinc/14/84/98/1135148498.db2.gz VXWCUZAMYKEQFS-MRXNPFEDSA-N 0 3 348.425 3.959 20 30 EHEDHN C[C@@H](NC[C@H](O)Cc1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000805749343 1135318377 /nfs/dbraw/zinc/31/83/77/1135318377.db2.gz LPCXZYNVMQTMMU-MLGOLLRUSA-N 0 3 332.806 3.605 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2COC3(CCCCC3)O2)c([O-])c1 ZINC000775633814 1135363859 /nfs/dbraw/zinc/36/38/59/1135363859.db2.gz LFRWGRFMQOCZNB-LANLRWRYSA-N 0 3 346.471 3.733 20 30 EHEDHN CC1(C)[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001195250557 1135398785 /nfs/dbraw/zinc/39/87/85/1135398785.db2.gz MCVFARHWQWDRRE-LJQANCHMSA-N 0 3 333.435 3.765 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN2C[C@H](C)[C@H](C)[C@H]2C)ccc1Cl ZINC001195280661 1135404565 /nfs/dbraw/zinc/40/45/65/1135404565.db2.gz WEHZQQVRDMLSLH-HRCADAONSA-N 0 3 347.890 3.871 20 30 EHEDHN COCC#CCNC1(c2cccc(Br)c2)CCCCC1 ZINC001195306977 1135410982 /nfs/dbraw/zinc/41/09/82/1135410982.db2.gz OJLJGZZWKXQLGR-UHFFFAOYSA-N 0 3 336.273 3.848 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC001196207401 1135531829 /nfs/dbraw/zinc/53/18/29/1135531829.db2.gz XRVUBOSRLVIMOF-AWEZNQCLSA-N 0 3 343.418 3.642 20 30 EHEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCCCCC#N ZINC000808060621 1135610423 /nfs/dbraw/zinc/61/04/23/1135610423.db2.gz CFMBTSDITZHXCO-HKUYNNGSSA-N 0 3 325.456 3.603 20 30 EHEDHN COC(=O)CCN(CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC001196841434 1135617461 /nfs/dbraw/zinc/61/74/61/1135617461.db2.gz HELJLONJSWJCGO-UHFFFAOYSA-N 0 3 328.456 3.916 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000808426462 1135661099 /nfs/dbraw/zinc/66/10/99/1135661099.db2.gz SKVUVXKCORLXCW-MGPUTAFESA-N 0 3 341.430 3.509 20 30 EHEDHN CCc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)ccc1C#N ZINC001197293052 1135675248 /nfs/dbraw/zinc/67/52/48/1135675248.db2.gz YVVYARISOVJENU-OAQYLSRUSA-N 0 3 347.462 3.688 20 30 EHEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747532278 1135751242 /nfs/dbraw/zinc/75/12/42/1135751242.db2.gz VWAIUDDESAHNAF-QAPCUYQASA-N 0 3 327.472 3.671 20 30 EHEDHN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1C ZINC001198260872 1135787684 /nfs/dbraw/zinc/78/76/84/1135787684.db2.gz SVSRTEMJUHESHK-HUUCEWRRSA-N 0 3 337.423 3.553 20 30 EHEDHN C=CCC[C@H]1CCCN1CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC001198407132 1135811519 /nfs/dbraw/zinc/81/15/19/1135811519.db2.gz QOVOAAWNXZVHOB-GHTZIAJQSA-N 0 3 342.483 3.693 20 30 EHEDHN N#Cc1cnc(N2CCN3CC[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001158434086 1135831144 /nfs/dbraw/zinc/83/11/44/1135831144.db2.gz RGWIKVRCVOVPRX-MRXNPFEDSA-N 0 3 346.459 3.729 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000775970548 1135905057 /nfs/dbraw/zinc/90/50/57/1135905057.db2.gz CFNQQXCQHJOUAJ-KRWDZBQOSA-N 0 3 344.503 3.695 20 30 EHEDHN N#Cc1ccc2c(c1)[C@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000810215443 1135938535 /nfs/dbraw/zinc/93/85/35/1135938535.db2.gz FLVGMRSDVIHSHI-QZTJIDSGSA-N 0 3 346.352 3.585 20 30 EHEDHN C=CCCC[C@@H](C)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000776200905 1136050567 /nfs/dbraw/zinc/05/05/67/1136050567.db2.gz FKLVDSKMGGYYPM-QGZVFWFLSA-N 0 3 345.556 3.860 20 30 EHEDHN C/C(C=NNCCN1CCCCC1)=C/c1ccccc1OC(F)F ZINC000811638810 1136115564 /nfs/dbraw/zinc/11/55/64/1136115564.db2.gz AWEVNENHRRJMGC-YGARNHPNSA-N 0 3 337.414 3.753 20 30 EHEDHN C=CCN1CC[C@@H](N2CCCCC[C@H]2Cc2ccccc2Cl)C1=O ZINC001170668180 1136186208 /nfs/dbraw/zinc/18/62/08/1136186208.db2.gz BITXQJFYONLFAE-PKOBYXMFSA-N 0 3 346.902 3.914 20 30 EHEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000850117727 1136212523 /nfs/dbraw/zinc/21/25/23/1136212523.db2.gz BRDPATHBMSQTBP-HNNXBMFYSA-N 0 3 345.446 3.611 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(C#N)c2[nH]ccc21 ZINC001170686630 1136248200 /nfs/dbraw/zinc/24/82/00/1136248200.db2.gz WJGYKORBRBCCHE-ZDUSSCGKSA-N 0 3 327.391 3.912 20 30 EHEDHN C#Cc1ccc(CNCc2cccc(COC[C@@H]3CCCO3)c2)cc1 ZINC000850416856 1136254639 /nfs/dbraw/zinc/25/46/39/1136254639.db2.gz QUZAITXVLMDSNT-QFIPXVFZSA-N 0 3 335.447 3.653 20 30 EHEDHN Cc1ccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1C ZINC000813216911 1136304301 /nfs/dbraw/zinc/30/43/01/1136304301.db2.gz HURUBCOGSMOCLV-OAHLLOKOSA-N 0 3 348.324 3.973 20 30 EHEDHN C[C@H](Oc1ccccc1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813219233 1136304724 /nfs/dbraw/zinc/30/47/24/1136304724.db2.gz YHDBHWYCPPSDMN-SMDDNHRTSA-N 0 3 334.297 3.744 20 30 EHEDHN CC(C)(C)CN(CCC#N)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109811842 1136347034 /nfs/dbraw/zinc/34/70/34/1136347034.db2.gz SJRLEMRFAOUWBZ-MRXNPFEDSA-N 0 3 337.508 3.895 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC3(C#N)CC3)C2)CC1 ZINC000852300574 1136446652 /nfs/dbraw/zinc/44/66/52/1136446652.db2.gz JZBJZZHDPJIRQF-KRWDZBQOSA-N 0 3 347.503 3.649 20 30 EHEDHN C=CC[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000852411967 1136454735 /nfs/dbraw/zinc/45/47/35/1136454735.db2.gz XENYYPBQGOWFON-HUUCEWRRSA-N 0 3 339.464 3.761 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)c(F)c1 ZINC000776728472 1136609106 /nfs/dbraw/zinc/60/91/06/1136609106.db2.gz GWXSCFXQDNCGKF-QWHCGFSZSA-N 0 3 337.398 3.994 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc(OC)cc(OC)c2)c1 ZINC000113961152 1136762577 /nfs/dbraw/zinc/76/25/77/1136762577.db2.gz MAQKIUGJABGGCB-KRWDZBQOSA-N 0 3 340.423 3.675 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000818118390 1136860719 /nfs/dbraw/zinc/86/07/19/1136860719.db2.gz KPLCAFJFEZWGPU-OAHLLOKOSA-N 0 3 346.228 3.562 20 30 EHEDHN CC[C@H](Cc1ccccc1C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000819945933 1136969048 /nfs/dbraw/zinc/96/90/48/1136969048.db2.gz XJKIXHRMRJINHH-APWZRJJASA-N 0 3 340.467 3.722 20 30 EHEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1)C1CC1 ZINC000860472763 1137061908 /nfs/dbraw/zinc/06/19/08/1137061908.db2.gz NRMXFWHWVUQHPX-FMEYXAORSA-N 0 3 342.439 3.663 20 30 EHEDHN Cc1ccn2c(CN3CCC(Cc4ccc(C#N)cc4)CC3)cnc2c1 ZINC001136889980 1137141140 /nfs/dbraw/zinc/14/11/40/1137141140.db2.gz MBIPHLZDQYTBMM-UHFFFAOYSA-N 0 3 344.462 3.969 20 30 EHEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370251 1137212941 /nfs/dbraw/zinc/21/29/41/1137212941.db2.gz GKPZOLWYBLBRNF-IFXJQAMLSA-N 0 3 339.395 3.501 20 30 EHEDHN CCc1ccc([C@@H](O)C/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])cc1 ZINC000794680469 1137225795 /nfs/dbraw/zinc/22/57/95/1137225795.db2.gz NPKYNPZKTYYGOA-PIUNUONSSA-N 0 3 340.467 3.953 20 30 EHEDHN C=CCN1CCC(NC(=O)Cc2csc3sc(C)cc23)CC1 ZINC000865192833 1137268052 /nfs/dbraw/zinc/26/80/52/1137268052.db2.gz FWOVRBZRJNYOSB-UHFFFAOYSA-N 0 3 334.510 3.580 20 30 EHEDHN COc1ccc(-c2nc(CN[C@H](C)Cc3cccc(C#N)c3)co2)cc1 ZINC001171196339 1137303700 /nfs/dbraw/zinc/30/37/00/1137303700.db2.gz ZHEVKRPBJCVCLS-OAHLLOKOSA-N 0 3 347.418 3.943 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cn(Cc2ccccc2F)cn1 ZINC001171198700 1137309934 /nfs/dbraw/zinc/30/99/34/1137309934.db2.gz OCMOKIJCZICNBT-MRXNPFEDSA-N 0 3 348.425 3.663 20 30 EHEDHN CC1(c2ccc(CN[C@H]3CCc4ccc(C#N)cc43)cc2)OCCO1 ZINC000866423346 1137353665 /nfs/dbraw/zinc/35/36/65/1137353665.db2.gz PVOUOMGKRRVCJF-FQEVSTJZSA-N 0 3 334.419 3.555 20 30 EHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000772957713 1137373287 /nfs/dbraw/zinc/37/32/87/1137373287.db2.gz BHGWWJGKVPMEAY-CQSZACIVSA-N 0 3 349.434 3.669 20 30 EHEDHN Cc1ccc(NC(=N)c2ccc(C(N)=O)cc2)cc1-c1ccccc1 ZINC001171260771 1137383086 /nfs/dbraw/zinc/38/30/86/1137383086.db2.gz MXUNTENODVKSJO-UHFFFAOYSA-N 0 3 329.403 3.798 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCC(CC)(CC)C(F)(F)F)CC1 ZINC000868222547 1137402856 /nfs/dbraw/zinc/40/28/56/1137402856.db2.gz YEBCGPNDTQKSLJ-UHFFFAOYSA-N 0 3 349.441 3.695 20 30 EHEDHN N#Cc1ccc(-c2nnc(CN3CC[C@H](c4ccccc4)C3)o2)cc1 ZINC000173586035 1137435431 /nfs/dbraw/zinc/43/54/31/1137435431.db2.gz TUEOCEHLCHNKIK-SFHVURJKSA-N 0 3 330.391 3.598 20 30 EHEDHN C[C@H]1CCCCN1c1cccc(NCCOc2ccc(C#N)cc2)n1 ZINC001171482819 1137490940 /nfs/dbraw/zinc/49/09/40/1137490940.db2.gz XRWNYVDVPLOYMS-INIZCTEOSA-N 0 3 336.439 3.823 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000876569634 1137655798 /nfs/dbraw/zinc/65/57/98/1137655798.db2.gz UPWDVMLZBDPVSC-SJORKVTESA-N 0 3 336.863 3.609 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000876619065 1137657245 /nfs/dbraw/zinc/65/72/45/1137657245.db2.gz NNWAWNNDMUVLBW-RISCZKNCSA-N 0 3 349.887 3.766 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000876775032 1137661066 /nfs/dbraw/zinc/66/10/66/1137661066.db2.gz MMWJRUPRJPELTH-GOEBONIOSA-N 0 3 335.879 3.782 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000876875750 1137664487 /nfs/dbraw/zinc/66/44/87/1137664487.db2.gz ZEIWEHMLCDLXHQ-NOZJJQNGSA-N 0 3 335.662 3.983 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000876899814 1137664978 /nfs/dbraw/zinc/66/49/78/1137664978.db2.gz REFUASCILNXVLS-CYBMUJFWSA-N 0 3 343.254 3.927 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000876968705 1137666597 /nfs/dbraw/zinc/66/65/97/1137666597.db2.gz SHINPJJKRVCNDJ-SJLPKXTDSA-N 0 3 341.842 3.864 20 30 EHEDHN CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000877064613 1137669178 /nfs/dbraw/zinc/66/91/78/1137669178.db2.gz BYXCYOMDBXCEQJ-SJORKVTESA-N 0 3 327.472 3.649 20 30 EHEDHN COc1ccc(C2(CNCc3cc(C#N)cnc3Cl)CCC2)cc1 ZINC000877313427 1137674091 /nfs/dbraw/zinc/67/40/91/1137674091.db2.gz SLJXPAQVERPWPE-UHFFFAOYSA-N 0 3 341.842 3.827 20 30 EHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877363839 1137674783 /nfs/dbraw/zinc/67/47/83/1137674783.db2.gz ILPJPNUELISYPY-HZMVEIRTSA-N 0 3 335.492 3.836 20 30 EHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc(Cl)ccc1Br ZINC000877496792 1137678484 /nfs/dbraw/zinc/67/84/84/1137678484.db2.gz WWOUNMMHTJVWAS-QMTHXVAHSA-N 0 3 345.668 3.568 20 30 EHEDHN C#CCCOc1ccc(CN2CC[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877674289 1137685463 /nfs/dbraw/zinc/68/54/63/1137685463.db2.gz SWFPJHWTTNWZQM-UNMCSNQZSA-N 0 3 335.447 3.787 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877672733 1137685475 /nfs/dbraw/zinc/68/54/75/1137685475.db2.gz LYYOWIZBIWAZFA-OZOXKJRCSA-N 0 3 336.435 3.675 20 30 EHEDHN COc1ccc(CN2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)cc1C#N ZINC000877783844 1137689653 /nfs/dbraw/zinc/68/96/53/1137689653.db2.gz INPHGHHMCHTWEF-MRXNPFEDSA-N 0 3 338.455 3.793 20 30 EHEDHN COc1ccc(CN2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cc1C#N ZINC000877783844 1137689654 /nfs/dbraw/zinc/68/96/54/1137689654.db2.gz INPHGHHMCHTWEF-MRXNPFEDSA-N 0 3 338.455 3.793 20 30 EHEDHN CSC[C@@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878646723 1137723614 /nfs/dbraw/zinc/72/36/14/1137723614.db2.gz GRDHRCJULHQOCJ-IEBWSBKVSA-N 0 3 330.497 3.502 20 30 EHEDHN N#CC1(CN2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000879058343 1137736472 /nfs/dbraw/zinc/73/64/72/1137736472.db2.gz NFLXDNWHIDKMBJ-HXUWFJFHSA-N 0 3 332.447 3.691 20 30 EHEDHN C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1ccnn1C ZINC000879687973 1137755376 /nfs/dbraw/zinc/75/53/76/1137755376.db2.gz ZLCCRMNEKIDZSV-GOSISDBHSA-N 0 3 344.462 3.971 20 30 EHEDHN C=CC(C)(C)CC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000879821919 1137759864 /nfs/dbraw/zinc/75/98/64/1137759864.db2.gz HJEVFJCRHWILGF-UHFFFAOYSA-N 0 3 332.410 3.510 20 30 EHEDHN C=CCCC[C@H](N[C@H]1CCCc2c1cnn2CCO)c1ccccc1 ZINC000883176164 1137847322 /nfs/dbraw/zinc/84/73/22/1137847322.db2.gz XDLJKKAJKZZGHT-PMACEKPBSA-N 0 3 339.483 3.940 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2ccccc2F)CC1 ZINC000106275784 1137883240 /nfs/dbraw/zinc/88/32/40/1137883240.db2.gz YYFOWEPKGRDMRM-OAHLLOKOSA-N 0 3 333.451 3.569 20 30 EHEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(Oc3ccccc3)cc1)C2 ZINC000884044958 1137898461 /nfs/dbraw/zinc/89/84/61/1137898461.db2.gz CDCJYDSECNPOIU-ZGOJQLDESA-N 0 3 347.418 3.557 20 30 EHEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cccc(Nc3ccccc3)c1)C2 ZINC000884084120 1137905292 /nfs/dbraw/zinc/90/52/92/1137905292.db2.gz HVSWBMHBGMJCRD-ZGOJQLDESA-N 0 3 346.434 3.508 20 30 EHEDHN CCCCN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)[C@H](C)c1ccccc1 ZINC000884148887 1137917317 /nfs/dbraw/zinc/91/73/17/1137917317.db2.gz WAHDDJFTSXIOGO-BZYYEOTJSA-N 0 3 339.483 3.516 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(F)c(CN(C)C)c2)cc1 ZINC000115624199 1137922581 /nfs/dbraw/zinc/92/25/81/1137922581.db2.gz QLGLKRGBWWYTLO-UHFFFAOYSA-N 0 3 340.442 3.579 20 30 EHEDHN C[C@@H]1SCCN(C[C@H](O)CC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886014036 1138032324 /nfs/dbraw/zinc/03/23/24/1138032324.db2.gz BGVOPWBROKETCE-CGTJXYLNSA-N 0 3 330.497 3.610 20 30 EHEDHN C#CCN(C(=O)c1sc2ccc(F)cc2c1C)C1CCN(C)CC1 ZINC000886583502 1138099014 /nfs/dbraw/zinc/09/90/14/1138099014.db2.gz SJRGTVGWFOHHFO-UHFFFAOYSA-N 0 3 344.455 3.518 20 30 EHEDHN C=CC[C@H]1N(C(=O)Nc2ccc3c(c2)CNCCO3)CCCC1(C)C ZINC000333306202 1138275782 /nfs/dbraw/zinc/27/57/82/1138275782.db2.gz KZODAWNWNZYJJK-GOSISDBHSA-N 0 3 343.471 3.767 20 30 EHEDHN Cc1cc(CN2CCSCC2)ccc1NCc1ccc(C#N)o1 ZINC000125378319 1138307366 /nfs/dbraw/zinc/30/73/66/1138307366.db2.gz GWWJZNUCGUFVBV-UHFFFAOYSA-N 0 3 327.453 3.621 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000264356929 1138486645 /nfs/dbraw/zinc/48/66/45/1138486645.db2.gz FNBNSIBYYUAVMI-UHFFFAOYSA-N 0 3 335.879 3.522 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)ccc2OC(C)C)CC1 ZINC000264393118 1138499111 /nfs/dbraw/zinc/49/91/11/1138499111.db2.gz NJZZQSAFODHTRA-UHFFFAOYSA-N 0 3 349.450 3.775 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2ccccc2C)CC1 ZINC000264404200 1138502564 /nfs/dbraw/zinc/50/25/64/1138502564.db2.gz REPALZMXMJRLHQ-QGZVFWFLSA-N 0 3 329.488 3.738 20 30 EHEDHN CC[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)N(CC)CC ZINC000265510930 1138936481 /nfs/dbraw/zinc/93/64/81/1138936481.db2.gz JXIZYBHNLKVIFN-GDBMZVCRSA-N 0 3 333.501 3.997 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000174395548 1139418037 /nfs/dbraw/zinc/41/80/37/1139418037.db2.gz LKFKOVYBAFOVFH-OAHLLOKOSA-N 0 3 349.356 3.534 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)CC1 ZINC000174777071 1139441203 /nfs/dbraw/zinc/44/12/03/1139441203.db2.gz WMWAYTFHUNIEAH-YJBOKZPZSA-N 0 3 345.487 3.721 20 30 EHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000180554533 1139844982 /nfs/dbraw/zinc/84/49/82/1139844982.db2.gz GPVLJRJFEXQSFA-MRXNPFEDSA-N 0 3 349.434 3.567 20 30 EHEDHN CCCOc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000181725494 1139926782 /nfs/dbraw/zinc/92/67/82/1139926782.db2.gz YPHJZGJTEYVTKD-HNNXBMFYSA-N 0 3 325.412 3.624 20 30 EHEDHN COc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000182913595 1140001024 /nfs/dbraw/zinc/00/10/24/1140001024.db2.gz XJLFRVDLMUVMDN-UHFFFAOYSA-N 0 3 339.414 3.782 20 30 EHEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000185792871 1140169824 /nfs/dbraw/zinc/16/98/24/1140169824.db2.gz WAXAUFUAWCSEOT-MAUKXSAKSA-N 0 3 334.423 3.506 20 30 EHEDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1NC(C)=O ZINC000268794586 1140994070 /nfs/dbraw/zinc/99/40/70/1140994070.db2.gz HKIQKMFTEQQBFQ-KBPBESRZSA-N 0 3 337.423 3.937 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cc(C#N)ccc1C)c1ccco1 ZINC000349100105 1141638836 /nfs/dbraw/zinc/63/88/36/1141638836.db2.gz VSQWGACPRYSFRW-WMLDXEAASA-N 0 3 340.427 3.711 20 30 EHEDHN C=CCN(Cc1csc(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000449029167 1032063592 /nfs/dbraw/zinc/06/35/92/1032063592.db2.gz QLBYHAXMSSERHY-OAHLLOKOSA-N 0 3 339.468 3.781 20 30 EHEDHN COCCOc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080453273 1032065899 /nfs/dbraw/zinc/06/58/99/1032065899.db2.gz PFJSHFMWYJOOKR-OAHLLOKOSA-N 0 3 344.436 3.782 20 30 EHEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000537997318 1032088565 /nfs/dbraw/zinc/08/85/65/1032088565.db2.gz HAZXNZJCUCEKCL-IRXDYDNUSA-N 0 3 347.462 3.714 20 30 EHEDHN CSc1ccc([C@@H](CNCc2ccc(C#N)cc2F)N(C)C)cc1 ZINC000339590231 1015088518 /nfs/dbraw/zinc/08/85/18/1015088518.db2.gz GVGIGXLWDQVGHD-LJQANCHMSA-N 0 3 343.471 3.812 20 30 EHEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000336792208 1015328300 /nfs/dbraw/zinc/32/83/00/1015328300.db2.gz RATXDETWMCAFJC-HNNXBMFYSA-N 0 3 346.356 3.658 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](CC3CC3)C2)c1C ZINC000339676487 1015505574 /nfs/dbraw/zinc/50/55/74/1015505574.db2.gz UNPOUZCOJZUKIZ-IBGZPJMESA-N 0 3 339.483 3.672 20 30 EHEDHN CCOc1ccc(CN2CCN(CC(C)(C)CCC#N)CC2)cc1 ZINC000179838867 1015725939 /nfs/dbraw/zinc/72/59/39/1015725939.db2.gz JUFOREJBTPUDBV-UHFFFAOYSA-N 0 3 329.488 3.533 20 30 EHEDHN O[C@@H](C[C@@H]1CCCN1CC#Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000134776176 1015787869 /nfs/dbraw/zinc/78/78/69/1015787869.db2.gz XEPJEWDATIHWDJ-SFTDATJTSA-N 0 3 341.401 3.904 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000185379232 1032386839 /nfs/dbraw/zinc/38/68/39/1032386839.db2.gz MZLZOFURLFNNLW-CQSZACIVSA-N 0 3 343.858 3.906 20 30 EHEDHN Cc1ccccc1[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000537290768 1032597650 /nfs/dbraw/zinc/59/76/50/1032597650.db2.gz JXVLAHPBPMMTDE-LPHOPBHVSA-N 0 3 339.483 3.767 20 30 EHEDHN Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccc(C#N)cc3)cn2)n1 ZINC000181525686 1017104640 /nfs/dbraw/zinc/10/46/40/1017104640.db2.gz GIQAFEXNOVLNOO-MRXNPFEDSA-N 0 3 331.423 3.607 20 30 EHEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376866528 1017169066 /nfs/dbraw/zinc/16/90/66/1017169066.db2.gz KOLJODJZNDPRJL-HOTGVXAUSA-N 0 3 333.435 3.567 20 30 EHEDHN CC[C@H]1C[C@H](C)CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000466934330 1018011197 /nfs/dbraw/zinc/01/11/97/1018011197.db2.gz WHOLJYTYZSAIOF-HOCLYGCPSA-N 0 3 333.863 3.707 20 30 EHEDHN CCc1cc(OC)ccc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000580005990 1018024115 /nfs/dbraw/zinc/02/41/15/1018024115.db2.gz GZJHRUHTSGGWMG-UHFFFAOYSA-N 0 3 338.451 3.778 20 30 EHEDHN Cc1cccc(C)c1OC[C@@H](NCCOCCC#N)c1ccccc1 ZINC000549927865 1019154468 /nfs/dbraw/zinc/15/44/68/1019154468.db2.gz HNGIZNTUWQEAKO-HXUWFJFHSA-N 0 3 338.451 3.943 20 30 EHEDHN C=CCCCN(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000513386663 1019596335 /nfs/dbraw/zinc/59/63/35/1019596335.db2.gz ONFTXVCKFPNOAK-KRWDZBQOSA-N 0 3 336.426 3.568 20 30 EHEDHN N#Cc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183143044 1020331321 /nfs/dbraw/zinc/33/13/21/1020331321.db2.gz IVINEWQHYQEFAJ-UHFFFAOYSA-N 0 3 334.345 3.611 20 30 EHEDHN COc1ccc(CNCc2ccc(F)cc2)cc1OCCCC#N ZINC000064613261 1020405706 /nfs/dbraw/zinc/40/57/06/1020405706.db2.gz CJXGMSKVULLCSB-UHFFFAOYSA-N 0 3 328.387 3.807 20 30 EHEDHN C[C@@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(C2CC2)c1 ZINC000581296871 1020648228 /nfs/dbraw/zinc/64/82/28/1020648228.db2.gz LLMZEMQATYILLC-QVKFZJNVSA-N 0 3 345.446 3.892 20 30 EHEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172765853 1032928841 /nfs/dbraw/zinc/92/88/41/1032928841.db2.gz XAUAGNQJSJWLDK-HXUWFJFHSA-N 0 3 349.434 3.794 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(OC2CCCC2)nc1 ZINC000602516586 1032929200 /nfs/dbraw/zinc/92/92/00/1032929200.db2.gz NXXGYLYUUPIOOJ-INIZCTEOSA-N 0 3 343.471 3.592 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)OCO3)s1 ZINC000430587615 1020806575 /nfs/dbraw/zinc/80/65/75/1020806575.db2.gz WQXQHDOKRZKLPF-NSHDSACASA-N 0 3 328.393 3.659 20 30 EHEDHN CCc1ccc(CN(CC(C)C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000602526536 1032962404 /nfs/dbraw/zinc/96/24/04/1032962404.db2.gz DKXURWDHRSGLKM-IBGZPJMESA-N 0 3 329.488 3.645 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000761026198 1032965072 /nfs/dbraw/zinc/96/50/72/1032965072.db2.gz SPCBLAISXBLDJJ-NVXWUHKLSA-N 0 3 336.476 3.520 20 30 EHEDHN C[C@@H]1[C@@H](Nc2nc(Cl)c(C#N)s2)CCN1Cc1ccccc1 ZINC000306728339 1021531692 /nfs/dbraw/zinc/53/16/92/1021531692.db2.gz NNITWPLCMODESA-YPMHNXCESA-N 0 3 332.860 3.743 20 30 EHEDHN N#CC1(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000593654811 1032999546 /nfs/dbraw/zinc/99/95/46/1032999546.db2.gz PVABKBKRZXMODH-RDJZCZTQSA-N 0 3 327.428 3.980 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](Sc2ccccc2)C(C)C)CC1 ZINC000519274592 1021969806 /nfs/dbraw/zinc/96/98/06/1021969806.db2.gz DAGJSMNMYXDDOQ-SFHVURJKSA-N 0 3 332.513 3.570 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000602604099 1033021650 /nfs/dbraw/zinc/02/16/50/1033021650.db2.gz WMLFUTUGOHZUNI-MOPGFXCFSA-N 0 3 345.462 3.975 20 30 EHEDHN CCc1cccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000593688150 1033024462 /nfs/dbraw/zinc/02/44/62/1033024462.db2.gz MYAFIIJPWDKSBA-UHFFFAOYSA-N 0 3 345.450 3.711 20 30 EHEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000441359591 1022175196 /nfs/dbraw/zinc/17/51/96/1022175196.db2.gz CGRAINKLRQLWBQ-ZJOUEHCJSA-N 0 3 341.499 3.617 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000520394008 1022184779 /nfs/dbraw/zinc/18/47/79/1022184779.db2.gz VYIKONBIZWYUOT-YLJYHZDGSA-N 0 3 341.499 3.665 20 30 EHEDHN CC[C@@H](O)[C@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438110725 1022398002 /nfs/dbraw/zinc/39/80/02/1022398002.db2.gz RFVCSGDMBCKQJT-IAGOWNOFSA-N 0 3 341.373 3.562 20 30 EHEDHN C=CCOC(=O)[C@@H](Nc1ccc(F)c(CN2CCCC2)c1)[C@@H](C)CC ZINC001167962563 1022519751 /nfs/dbraw/zinc/51/97/51/1022519751.db2.gz SWZJHHSQPQHSRP-KXBFYZLASA-N 0 3 348.462 3.977 20 30 EHEDHN O=C(Nc1cccc(OCC(F)F)n1)[C@@H]1CCCN1C1CCCC1 ZINC000328969612 1022555975 /nfs/dbraw/zinc/55/59/75/1022555975.db2.gz OERIOPLTNCNEDP-ZDUSSCGKSA-N 0 3 339.386 3.721 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ncc(C(C)(C)C)s2)CC1 ZINC000331249470 1022780678 /nfs/dbraw/zinc/78/06/78/1022780678.db2.gz OAUNEUKFCQKGQP-UHFFFAOYSA-N 0 3 336.505 3.807 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000518002187 1022924831 /nfs/dbraw/zinc/92/48/31/1022924831.db2.gz VCMLYTXTNNHPHT-JENIJYKNSA-N 0 3 333.520 3.685 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CCOC2)cc1 ZINC000176096765 1023024866 /nfs/dbraw/zinc/02/48/66/1023024866.db2.gz LLTAPJPHHWUPRJ-HDMKZQKVSA-N 0 3 342.439 3.664 20 30 EHEDHN C=CCC[C@H](N[C@@H](C)CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000341869970 1023498805 /nfs/dbraw/zinc/49/88/05/1023498805.db2.gz CUMAGGILZMTKRU-WFASDCNBSA-N 0 3 349.418 3.735 20 30 EHEDHN C[C@@H](O)CN(Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000535798086 1023644928 /nfs/dbraw/zinc/64/49/28/1023644928.db2.gz FJMPYDOHXOSKKI-GOSISDBHSA-N 0 3 338.451 3.752 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ncc(Br)s1 ZINC000280819029 1023959911 /nfs/dbraw/zinc/95/99/11/1023959911.db2.gz NATGFAAIJFBZBP-UMNHJUIQSA-N 0 3 331.279 3.537 20 30 EHEDHN COC(=O)c1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1C ZINC000895214750 1023985086 /nfs/dbraw/zinc/98/50/86/1023985086.db2.gz HICHRDYFYUFVNH-UHFFFAOYSA-N 0 3 334.419 3.822 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000507777211 1024092822 /nfs/dbraw/zinc/09/28/22/1024092822.db2.gz GSXBBGZVSLKCGR-UHFFFAOYSA-N 0 3 342.414 3.851 20 30 EHEDHN CCN(CCC#N)C(=O)CN(Cc1ccccc1)[C@@H](C)C(C)(C)C ZINC000346030618 1024114433 /nfs/dbraw/zinc/11/44/33/1024114433.db2.gz LOVQUTJKEGQVAB-KRWDZBQOSA-N 0 3 329.488 3.685 20 30 EHEDHN CCC(C)(C)[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000441634238 1024253320 /nfs/dbraw/zinc/25/33/20/1024253320.db2.gz MQMNFZXNYPQYTL-SFHVURJKSA-N 0 3 327.472 3.834 20 30 EHEDHN CC(C)(C)OC(=O)NCc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000895313516 1024280846 /nfs/dbraw/zinc/28/08/46/1024280846.db2.gz IPBCUGHPDMCXGE-QGZVFWFLSA-N 0 3 343.471 3.837 20 30 EHEDHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000330116975 1024324496 /nfs/dbraw/zinc/32/44/96/1024324496.db2.gz WGNQWDTWQODJKE-KGLIPLIRSA-N 0 3 327.428 3.543 20 30 EHEDHN N#CC(C(=O)c1ccc2c(c1)CCCC2=O)c1cnc2ccccc2n1 ZINC000346245268 1024559890 /nfs/dbraw/zinc/55/98/90/1024559890.db2.gz RYSGAIVKAWZSBI-MRXNPFEDSA-N 0 3 341.370 3.639 20 30 EHEDHN C[C@H]1CCCC[C@H]1OCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507850202 1024729347 /nfs/dbraw/zinc/72/93/47/1024729347.db2.gz WGJVSUADUACTJQ-LAUBAEHRSA-N 0 3 342.483 3.997 20 30 EHEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000582018486 1025033042 /nfs/dbraw/zinc/03/30/42/1025033042.db2.gz SFRQIJQKEYOBFY-ZUOKHONESA-N 0 3 334.398 3.758 20 30 EHEDHN N#CCCn1cc(CNCc2cccc(C#N)c2)c(-c2ccccc2)n1 ZINC000113320405 1025145891 /nfs/dbraw/zinc/14/58/91/1025145891.db2.gz MZLXSRMPBOIAOU-UHFFFAOYSA-N 0 3 341.418 3.625 20 30 EHEDHN N#CCC1(CN2CCC(Cc3nc(C4CCCC4)no3)CC2)CC1 ZINC000602918415 1033262954 /nfs/dbraw/zinc/26/29/54/1033262954.db2.gz WATDRLAWJKUQAL-UHFFFAOYSA-N 0 3 328.460 3.676 20 30 EHEDHN CCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](CC)c1ccccc1 ZINC000521193948 1025254950 /nfs/dbraw/zinc/25/49/50/1025254950.db2.gz ZLIAIPMNXBLZQA-AZUAARDMSA-N 0 3 329.488 3.904 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000896226315 1025258896 /nfs/dbraw/zinc/25/88/96/1025258896.db2.gz CYKCACNSKFQJRC-WFASDCNBSA-N 0 3 342.336 3.844 20 30 EHEDHN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(OCC#N)cc1 ZINC000281650165 1025330559 /nfs/dbraw/zinc/33/05/59/1025330559.db2.gz PNVHLPJRKALLDX-SFHVURJKSA-N 0 3 326.371 3.514 20 30 EHEDHN C[C@@H]1C[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC(=O)N1 ZINC000329358274 1025778031 /nfs/dbraw/zinc/77/80/31/1025778031.db2.gz WZLYBTIAZJZWQF-RDBSUJKOSA-N 0 3 335.473 3.597 20 30 EHEDHN N#CC(C(=O)C=Cc1ccco1)c1nc2ccccc2n1C(F)F ZINC000051655309 1026157767 /nfs/dbraw/zinc/15/77/67/1026157767.db2.gz KNOOGHDIHRQXHT-GUOLPTJISA-N 0 3 327.290 3.914 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000111246650 1026245498 /nfs/dbraw/zinc/24/54/98/1026245498.db2.gz LQNHJLGLSSKJRM-JXFKEZNVSA-N 0 3 327.472 3.516 20 30 EHEDHN CC(C)(C#N)CCCCN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000277682637 1026539062 /nfs/dbraw/zinc/53/90/62/1026539062.db2.gz KQKQUZODMRJUBW-UHFFFAOYSA-N 0 3 343.471 3.913 20 30 EHEDHN COc1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1OC(F)F ZINC000342689902 1026724223 /nfs/dbraw/zinc/72/42/23/1026724223.db2.gz FUUDKQJPPVTXMN-UHFFFAOYSA-N 0 3 346.377 3.995 20 30 EHEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459307981 1027501478 /nfs/dbraw/zinc/50/14/78/1027501478.db2.gz AUKUDTWSYZTVFJ-UHFFFAOYSA-N 0 3 336.439 3.589 20 30 EHEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459307981 1027501486 /nfs/dbraw/zinc/50/14/86/1027501486.db2.gz AUKUDTWSYZTVFJ-UHFFFAOYSA-N 0 3 336.439 3.589 20 30 EHEDHN CCCN(CC(=O)N(CC)C[C@H](C)C#N)[C@@H](CC)c1ccccc1 ZINC000531841394 1027506476 /nfs/dbraw/zinc/50/64/76/1027506476.db2.gz PJIBAAQDULRNLA-MJGOQNOKSA-N 0 3 329.488 3.858 20 30 EHEDHN CN(C(=O)CN[C@H](c1ccccc1)C1CCC1)C1(C#N)CCCCC1 ZINC000533376873 1027735845 /nfs/dbraw/zinc/73/58/45/1027735845.db2.gz BMTWMQPRWXSHFM-HXUWFJFHSA-N 0 3 339.483 3.802 20 30 EHEDHN C=CCc1cc(CNCc2cc(COC)cs2)cc(OC)c1O ZINC000657659774 1027916285 /nfs/dbraw/zinc/91/62/85/1027916285.db2.gz VTSAOAQCNAEYLJ-UHFFFAOYSA-N 0 3 333.453 3.627 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN[C@H](CC(F)F)c1ccccc1 ZINC000420988658 1027950143 /nfs/dbraw/zinc/95/01/43/1027950143.db2.gz VEKIAMDCZXEKTK-CQSZACIVSA-N 0 3 349.406 3.934 20 30 EHEDHN COc1ccc([C@H]2CCN(Cc3cn4ccccc4c3C#N)C2)cc1 ZINC000504464599 1028661469 /nfs/dbraw/zinc/66/14/69/1028661469.db2.gz KQSKKSSLTQWSNG-KRWDZBQOSA-N 0 3 331.419 3.809 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000523930211 1028722742 /nfs/dbraw/zinc/72/27/42/1028722742.db2.gz KTDHSRUECSCAJA-QGZVFWFLSA-N 0 3 335.536 3.885 20 30 EHEDHN Cc1ccccc1CN(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424089930 1028793912 /nfs/dbraw/zinc/79/39/12/1028793912.db2.gz BENZHAOIIJVORO-HXUWFJFHSA-N 0 3 335.451 3.545 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000424091621 1028797105 /nfs/dbraw/zinc/79/71/05/1028797105.db2.gz MZFPZIUYLYTUFB-GOEBONIOSA-N 0 3 347.871 3.628 20 30 EHEDHN N#Cc1ccc(Oc2ccc(-c3noc([C@H]4NC[C@H]5C[C@H]54)n3)cc2)cc1 ZINC001211565780 1028808767 /nfs/dbraw/zinc/80/87/67/1028808767.db2.gz NKBUCRWEUIEJFG-OLMNPRSZSA-N 0 3 344.374 3.681 20 30 EHEDHN Cc1cccc(COc2cccc(NC(=O)[C@@H](N)CCCC#N)c2)c1 ZINC000424144982 1028832053 /nfs/dbraw/zinc/83/20/53/1028832053.db2.gz UFISTJOYSUHAAD-IBGZPJMESA-N 0 3 337.423 3.534 20 30 EHEDHN Cc1ccccc1COc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424148280 1028834412 /nfs/dbraw/zinc/83/44/12/1028834412.db2.gz ZVUFFYVYTRHPKQ-LJQANCHMSA-N 0 3 337.423 3.534 20 30 EHEDHN Cc1cc(C)c2c(c1)CN(CCC(=O)Nc1sccc1C#N)CC2 ZINC000186726137 1028867378 /nfs/dbraw/zinc/86/73/78/1028867378.db2.gz IBKUNCXYWBBRAH-UHFFFAOYSA-N 0 3 339.464 3.624 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCc3c(F)cccc32)CC1 ZINC000454465553 1028936231 /nfs/dbraw/zinc/93/62/31/1028936231.db2.gz PCIBYDWBJKDHGQ-LJQANCHMSA-N 0 3 345.462 3.543 20 30 EHEDHN C=CCn1cc(CN[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)nn1 ZINC000424294876 1028936410 /nfs/dbraw/zinc/93/64/10/1028936410.db2.gz LNJWPYCGKXKCRR-DOTOQJQBSA-N 0 3 330.863 3.934 20 30 EHEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc2c(c1)CC(=O)N2C ZINC000271804113 1029179617 /nfs/dbraw/zinc/17/96/17/1029179617.db2.gz KTNNLPHMFOQWRU-OAHLLOKOSA-N 0 3 347.462 3.857 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454925456 1029465200 /nfs/dbraw/zinc/46/52/00/1029465200.db2.gz YTZWBDPYMFZUSQ-IEBWSBKVSA-N 0 3 329.488 3.505 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC(C)(C)C)c1 ZINC000533278924 1029560651 /nfs/dbraw/zinc/56/06/51/1029560651.db2.gz DFKFSSSEHUBHDH-QGZVFWFLSA-N 0 3 329.488 3.917 20 30 EHEDHN C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 ZINC000248337688 1029674789 /nfs/dbraw/zinc/67/47/89/1029674789.db2.gz HNHKFIRTNWQXRR-CXAGYDPISA-N 0 3 325.437 3.641 20 30 EHEDHN N#CCC[C@H](C#N)CNCC/C=C/c1ccc(Br)cc1 ZINC000600603784 1030044659 /nfs/dbraw/zinc/04/46/59/1030044659.db2.gz RLZUFQLZAUYABU-NTHKTCTLSA-N 0 3 332.245 3.886 20 30 EHEDHN N#Cc1ccc(CNCCOCC2CCCC2)c(C(F)(F)F)c1 ZINC000453577488 1030368778 /nfs/dbraw/zinc/36/87/78/1030368778.db2.gz BDFBSTWCFVNOEW-UHFFFAOYSA-N 0 3 326.362 3.873 20 30 EHEDHN COC(=O)c1cccc(CN[C@H]2CCC[C@@H]2c2ccccc2)c1C#N ZINC000526087638 1030410920 /nfs/dbraw/zinc/41/09/20/1030410920.db2.gz VRILSFXZBDEETF-XLIONFOSSA-N 0 3 334.419 3.771 20 30 EHEDHN C=CCC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000160034309 1030501397 /nfs/dbraw/zinc/50/13/97/1030501397.db2.gz FNQZFAPDXBYMIN-MRXNPFEDSA-N 0 3 339.395 3.830 20 30 EHEDHN CN([C@@H]1CCc2ccccc21)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447856578 1030548716 /nfs/dbraw/zinc/54/87/16/1030548716.db2.gz RUZDZKASVRNHNU-RTWAWAEBSA-N 0 3 345.446 3.673 20 30 EHEDHN CCSCC[C@@H](C)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447884932 1030563610 /nfs/dbraw/zinc/56/36/10/1030563610.db2.gz BGGGUWBTUJEKQP-CRAIPNDOSA-N 0 3 345.512 3.517 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000190619964 1030679179 /nfs/dbraw/zinc/67/91/79/1030679179.db2.gz OOFPLDAOERUJOO-DYESRHJHSA-N 0 3 347.462 3.627 20 30 EHEDHN C=CCCCN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000448030237 1030685724 /nfs/dbraw/zinc/68/57/24/1030685724.db2.gz RXAYFBYWSFVIOS-GFCCVEGCSA-N 0 3 349.276 3.955 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(C(C)C)c2)CC1 ZINC000476944827 1031095342 /nfs/dbraw/zinc/09/53/42/1031095342.db2.gz YBDYNVLTVCRISX-UHFFFAOYSA-N 0 3 329.488 3.650 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC1CCCCC1 ZINC000219616299 1031379691 /nfs/dbraw/zinc/37/96/91/1031379691.db2.gz NMKUJZYECRIFEM-KRWDZBQOSA-N 0 3 327.472 3.834 20 30 EHEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000080660940 1031862323 /nfs/dbraw/zinc/86/23/23/1031862323.db2.gz DTECVSJSLDKSBY-QAPCUYQASA-N 0 3 327.472 3.671 20 30 EHEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)C2CCCCC2)cc1 ZINC000052868166 1031914362 /nfs/dbraw/zinc/91/43/62/1031914362.db2.gz XILQDGBBUQQAKD-UHFFFAOYSA-N 0 3 343.471 3.596 20 30 EHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000343689181 1031943308 /nfs/dbraw/zinc/94/33/08/1031943308.db2.gz LPTWUHTVZKDSCT-MRXNPFEDSA-N 0 3 333.435 3.730 20 30 EHEDHN N#CCc1cccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000455910731 1031957990 /nfs/dbraw/zinc/95/79/90/1031957990.db2.gz CZQBNNUPQNKLJN-HXUWFJFHSA-N 0 3 348.450 3.539 20 30 EHEDHN C=CCN(C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)C1CC1 ZINC000537912032 1032011769 /nfs/dbraw/zinc/01/17/69/1032011769.db2.gz QWBVZEMMZNDRFQ-HXUWFJFHSA-N 0 3 341.499 3.820 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CNC(C)(C)c1ccccc1Br ZINC000598603150 1033309147 /nfs/dbraw/zinc/30/91/47/1033309147.db2.gz YGQOFSVMKYAVBC-GFCCVEGCSA-N 0 3 339.277 3.575 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000598585923 1033315547 /nfs/dbraw/zinc/31/55/47/1033315547.db2.gz LXEYNUJZOFJDBA-ZIAGYGMSSA-N 0 3 338.854 3.787 20 30 EHEDHN C=CCc1cc(CN2CC[C@H](Cc3nccs3)C2)cc(OC)c1O ZINC000898072180 1033324613 /nfs/dbraw/zinc/32/46/13/1033324613.db2.gz ZJQRFAPRDRBVIT-CQSZACIVSA-N 0 3 344.480 3.650 20 30 EHEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594431562 1033369319 /nfs/dbraw/zinc/36/93/19/1033369319.db2.gz NXDJODSPGIAQSG-QRVBRYPASA-N 0 3 327.472 3.582 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000594442447 1033374564 /nfs/dbraw/zinc/37/45/64/1033374564.db2.gz GJEANERSNSDSDQ-PMACEKPBSA-N 0 3 341.499 3.802 20 30 EHEDHN CC(C)CCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(F)c1 ZINC000594456728 1033381705 /nfs/dbraw/zinc/38/17/05/1033381705.db2.gz QJBWCSFRTBPKSQ-INIZCTEOSA-N 0 3 335.423 3.600 20 30 EHEDHN COCCCN(Cc1ccncc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607440 1033474808 /nfs/dbraw/zinc/47/48/08/1033474808.db2.gz VERIXRBFXVFHKU-UHFFFAOYSA-N 0 3 337.467 3.921 20 30 EHEDHN N#C[C@H]1CNC[C@H]1OC(Cl)(Cl)c1ccc(Cl)cc1Cl ZINC001217831431 1033499042 /nfs/dbraw/zinc/49/90/42/1033499042.db2.gz JTMGAAMRJLMTIR-WRWORJQWSA-N 0 3 340.037 3.709 20 30 EHEDHN CC1(C)CN(C(=O)CCCC#N)C(C)(C)CN1Cc1ccccc1 ZINC000598892838 1033550694 /nfs/dbraw/zinc/55/06/94/1033550694.db2.gz QDPCBQSIGGTAET-UHFFFAOYSA-N 0 3 327.472 3.582 20 30 EHEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)ccc1C#N ZINC000594978422 1033581342 /nfs/dbraw/zinc/58/13/42/1033581342.db2.gz BCKDNKFBSDDTPW-UHFFFAOYSA-N 0 3 331.419 3.534 20 30 EHEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000594936604 1033586380 /nfs/dbraw/zinc/58/63/80/1033586380.db2.gz NHQVNGOFPBZERG-MYYSRTQBSA-N 0 3 338.476 3.830 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)C(C#N)(CC)CC)c1cccc(OC)c1 ZINC000599000551 1033634498 /nfs/dbraw/zinc/63/44/98/1033634498.db2.gz XBBQMNAAEQKFEA-SFHVURJKSA-N 0 3 345.487 3.524 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2c(F)cc(C)cc2Cl)CC1 ZINC000529251851 1033702024 /nfs/dbraw/zinc/70/20/24/1033702024.db2.gz SJYPIFACKXYINO-UHFFFAOYSA-N 0 3 339.842 3.950 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cc(C)cc(C#N)c1)c1ccco1 ZINC000455958858 1033743794 /nfs/dbraw/zinc/74/37/94/1033743794.db2.gz SZVXXDBHBATSLO-WMLDXEAASA-N 0 3 340.427 3.711 20 30 EHEDHN N#CC1(C[C@H](O)CN2CCC[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000599259641 1033839089 /nfs/dbraw/zinc/83/90/89/1033839089.db2.gz PLTYJQPSXJMSKY-ROUUACIJSA-N 0 3 348.874 3.548 20 30 EHEDHN Cc1ccc(CN2CCC(CO)(Cc3ccccc3)CC2)cc1C#N ZINC000599386481 1033913431 /nfs/dbraw/zinc/91/34/31/1033913431.db2.gz VMRGRDUBYRYPAV-UHFFFAOYSA-N 0 3 334.463 3.684 20 30 EHEDHN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCC[C@H](CC#N)C1 ZINC000595610365 1033920662 /nfs/dbraw/zinc/92/06/62/1033920662.db2.gz XBYQTDUIYPOQRE-IEBWSBKVSA-N 0 3 344.499 3.658 20 30 EHEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c(Cl)c1 ZINC000593101990 1033942097 /nfs/dbraw/zinc/94/20/97/1033942097.db2.gz MUWGWACQLPVGAA-QWRGUYRKSA-N 0 3 346.736 3.898 20 30 EHEDHN Cc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1C#N ZINC000599467349 1033943047 /nfs/dbraw/zinc/94/30/47/1033943047.db2.gz HERRNQJEFDQQHZ-UHFFFAOYSA-N 0 3 331.419 3.534 20 30 EHEDHN C=CCOc1ccc(CC(=O)Nc2cc(C)cc(CN(C)C)c2)cc1 ZINC000450272599 1033991606 /nfs/dbraw/zinc/99/16/06/1033991606.db2.gz XVUKLXCQCQLGTM-UHFFFAOYSA-N 0 3 338.451 3.803 20 30 EHEDHN Cn1cc(CN2CCCC(F)(F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000599553234 1034007878 /nfs/dbraw/zinc/00/78/78/1034007878.db2.gz VYLDZEKTWWKLQL-UHFFFAOYSA-N 0 3 330.382 3.580 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599587028 1034029219 /nfs/dbraw/zinc/02/92/19/1034029219.db2.gz KKXYNNSSSGCHIZ-VKJFTORMSA-N 0 3 328.456 3.919 20 30 EHEDHN COC(=O)c1cnc([C@H]2CCCN(CCCCC(C)(C)C#N)C2)s1 ZINC000595919410 1034038596 /nfs/dbraw/zinc/03/85/96/1034038596.db2.gz MPPMXQWNDWVMAN-AWEZNQCLSA-N 0 3 349.500 3.829 20 30 EHEDHN CCc1cc(CCCN2CCC(Oc3ccc(C#N)cc3)CC2)on1 ZINC000450354662 1034186456 /nfs/dbraw/zinc/18/64/56/1034186456.db2.gz NICHHAJXISYXGX-UHFFFAOYSA-N 0 3 339.439 3.585 20 30 EHEDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000171562932 1034461803 /nfs/dbraw/zinc/46/18/03/1034461803.db2.gz AIPZBGQYKVBXOK-CABCVRRESA-N 0 3 337.423 3.787 20 30 EHEDHN C#C[C@H](CC)NCc1cc(Br)c(OCCC)c(OC)c1 ZINC000229881445 1034468517 /nfs/dbraw/zinc/46/85/17/1034468517.db2.gz QQOAYVSXCSCSBN-CYBMUJFWSA-N 0 3 340.261 3.748 20 30 EHEDHN CC[C@@H](C)N(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000061759928 1034504001 /nfs/dbraw/zinc/50/40/01/1034504001.db2.gz ZBCPXCUSPSCVEY-GOSISDBHSA-N 0 3 341.499 3.972 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000605754947 1034822433 /nfs/dbraw/zinc/82/24/33/1034822433.db2.gz BQQZXEODSMKHAB-AEFFLSMTSA-N 0 3 332.463 3.503 20 30 EHEDHN CC[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccc(C)cc1 ZINC000121361976 1034844139 /nfs/dbraw/zinc/84/41/39/1034844139.db2.gz AZNGURQDHRADLJ-HXUWFJFHSA-N 0 3 335.451 3.983 20 30 EHEDHN Cc1ccc(C#N)cc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000580008385 1035383500 /nfs/dbraw/zinc/38/35/00/1035383500.db2.gz HZZQUKHGTHVMNF-HXUWFJFHSA-N 0 3 336.435 3.537 20 30 EHEDHN Cc1cc(CN[C@H](CN(C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000580786620 1035459864 /nfs/dbraw/zinc/45/98/64/1035459864.db2.gz OOCZBCWORPZDOM-LJQANCHMSA-N 0 3 327.859 3.913 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000442681650 1035793404 /nfs/dbraw/zinc/79/34/04/1035793404.db2.gz PLTZGUMTWIDTGF-QGZVFWFLSA-N 0 3 337.442 3.966 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000534965504 1035836855 /nfs/dbraw/zinc/83/68/55/1035836855.db2.gz WAHVBTFGBHUABM-UHFFFAOYSA-N 0 3 348.805 3.870 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3cc4c(cn3)CCCC4)CC2)cc1 ZINC000582520680 1035851814 /nfs/dbraw/zinc/85/18/14/1035851814.db2.gz YECGUBOAKJBVNX-UHFFFAOYSA-N 0 3 346.478 3.909 20 30 EHEDHN C=CCOc1cccc(NC(=O)NCCN(C)Cc2ccccc2)c1 ZINC000056754586 1036482615 /nfs/dbraw/zinc/48/26/15/1036482615.db2.gz IOTXHOCZZODDJZ-UHFFFAOYSA-N 0 3 339.439 3.505 20 30 EHEDHN COc1cc(CNCc2ccc(OCC#N)cc2)ccc1OC(C)C ZINC000075772503 1036584564 /nfs/dbraw/zinc/58/45/64/1036584564.db2.gz CEPYEWHHAJJRJB-UHFFFAOYSA-N 0 3 340.423 3.675 20 30 EHEDHN N#CCCC[C@H](NCc1cnnn1-c1ccccc1)c1ccccc1 ZINC000590123225 1036763174 /nfs/dbraw/zinc/76/31/74/1036763174.db2.gz ALGKRHLBUOEITJ-FQEVSTJZSA-N 0 3 331.423 3.792 20 30 EHEDHN Cc1ccccc1[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000539493999 1036800703 /nfs/dbraw/zinc/80/07/03/1036800703.db2.gz VLKHYXHMZXAWDQ-MGPUTAFESA-N 0 3 333.435 3.935 20 30 EHEDHN C[C@@H](N[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000414347860 1036857191 /nfs/dbraw/zinc/85/71/91/1036857191.db2.gz NVTZEQQCDMYLDO-CJNGLKHVSA-N 0 3 327.378 3.766 20 30 EHEDHN N#Cc1ccc(O[C@@H]2CCN([C@@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000428795546 1037172809 /nfs/dbraw/zinc/17/28/09/1037172809.db2.gz XACKVLIRKBCYOC-IEBWSBKVSA-N 0 3 337.398 3.623 20 30 EHEDHN CC(C)(C#N)CCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000783784742 1037246599 /nfs/dbraw/zinc/24/65/99/1037246599.db2.gz HKWSFYCCKMRWJA-UHFFFAOYSA-N 0 3 328.456 3.772 20 30 EHEDHN C=C(C)COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OC ZINC000057958903 1037315004 /nfs/dbraw/zinc/31/50/04/1037315004.db2.gz VLKZDSMRRSVBDF-UHFFFAOYSA-N 0 3 341.407 3.669 20 30 EHEDHN C=CCN(CCc1nc2ccccc2n1C)Cc1cccc(C#N)c1 ZINC000532487742 1037524632 /nfs/dbraw/zinc/52/46/32/1037524632.db2.gz KRRPULBUENSLRP-UHFFFAOYSA-N 0 3 330.435 3.676 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H]3CCCC[C@@H]3C2)c1C ZINC000177513960 1037567175 /nfs/dbraw/zinc/56/71/75/1037567175.db2.gz WGXWLIOVOBGAJL-KDURUIRLSA-N 0 3 339.483 3.672 20 30 EHEDHN C=CCN1CC[C@@H](N2CCc3ccccc3[C@@H]2Cc2ccccc2)C1=O ZINC001168207863 1037598262 /nfs/dbraw/zinc/59/82/62/1037598262.db2.gz FTLXFSANSZUSCI-YADHBBJMSA-N 0 3 346.474 3.615 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000491735660 1037644866 /nfs/dbraw/zinc/64/48/66/1037644866.db2.gz PARUEBVVCIAQSA-OAHLLOKOSA-N 0 3 338.426 3.501 20 30 EHEDHN N#CCc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000114806887 1037810587 /nfs/dbraw/zinc/81/05/87/1037810587.db2.gz QFUUFOMFWWJPCU-HXUWFJFHSA-N 0 3 348.450 3.539 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000540375605 1037861312 /nfs/dbraw/zinc/86/13/12/1037861312.db2.gz ITFFXBVYCAYZGS-FXAWDEMLSA-N 0 3 329.488 3.808 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCNC1(c2ccccc2F)CCC1 ZINC000592144928 1037866545 /nfs/dbraw/zinc/86/65/45/1037866545.db2.gz QFNXQRPBFNPXHU-UHFFFAOYSA-N 0 3 343.427 3.756 20 30 EHEDHN COCCN(CCOc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000058397943 1037901877 /nfs/dbraw/zinc/90/18/77/1037901877.db2.gz ZQMNSDLLKDVJMT-UHFFFAOYSA-N 0 3 344.842 3.739 20 30 EHEDHN N#Cc1cc(CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)ccc1F ZINC000592166137 1037910033 /nfs/dbraw/zinc/91/00/33/1037910033.db2.gz GXOQCCVKLRQLMG-LEWJYISDSA-N 0 3 338.426 3.655 20 30 EHEDHN N#CCc1ccc(CNCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000592371137 1037921664 /nfs/dbraw/zinc/92/16/64/1037921664.db2.gz QPKOSBQKXWTKPE-UHFFFAOYSA-N 0 3 334.341 3.984 20 30 EHEDHN N#Cc1ccc(CNCC[C@H]2CSc3ccccc3O2)c(F)c1 ZINC000592373109 1037923652 /nfs/dbraw/zinc/92/36/52/1037923652.db2.gz UJNVCLVFPHLQKN-HNNXBMFYSA-N 0 3 328.412 3.730 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000592343876 1037929810 /nfs/dbraw/zinc/92/98/10/1037929810.db2.gz LHSSFZXGDMYQKH-HXUWFJFHSA-N 0 3 341.499 3.786 20 30 EHEDHN C=CCC(CC=C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184263264 1038020046 /nfs/dbraw/zinc/02/00/46/1038020046.db2.gz UIXCPWBRDHLLEU-UHFFFAOYSA-N 0 3 327.472 3.535 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc([C@@H](C)OC)c2)CC1 ZINC000106324996 1038022661 /nfs/dbraw/zinc/02/26/61/1038022661.db2.gz XZWZESMXRQEMQA-OAHLLOKOSA-N 0 3 331.460 3.556 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2cc(C)ccc2C)CC1 ZINC000592526126 1038024957 /nfs/dbraw/zinc/02/49/57/1038024957.db2.gz OFCKARZZEDMIQA-KRWDZBQOSA-N 0 3 329.488 3.656 20 30 EHEDHN Cc1cc([C@@H](NCC(=O)Nc2cccc(C#N)c2)C2CC2)ccc1F ZINC000540522752 1038049040 /nfs/dbraw/zinc/04/90/40/1038049040.db2.gz XLHUSLPZQDHUBQ-FQEVSTJZSA-N 0 3 337.398 3.685 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000540567452 1038084765 /nfs/dbraw/zinc/08/47/65/1038084765.db2.gz IPKKXYYWFUWWPS-MRXNPFEDSA-N 0 3 335.467 3.644 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3nc(C)cc3C)cc2)n1 ZINC000041520530 1038116798 /nfs/dbraw/zinc/11/67/98/1038116798.db2.gz QFOPFKGWQBNGOQ-INIZCTEOSA-N 0 3 336.420 3.744 20 30 EHEDHN CC[C@H](C)[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000539315395 1038769110 /nfs/dbraw/zinc/76/91/10/1038769110.db2.gz VDJOAJIZYVGWSB-AGRHKRQWSA-N 0 3 347.890 3.825 20 30 EHEDHN C=CCC1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CCC1 ZINC000479929896 1038906313 /nfs/dbraw/zinc/90/63/13/1038906313.db2.gz LFUJFOXTYIJOGL-IBGZPJMESA-N 0 3 326.484 3.995 20 30 EHEDHN C=C(C)CN1CCC(Nc2ncc(F)c(-c3ccsc3)n2)CC1 ZINC000418855157 1039053118 /nfs/dbraw/zinc/05/31/18/1039053118.db2.gz CXXHVJOSGPTABU-UHFFFAOYSA-N 0 3 332.448 3.797 20 30 EHEDHN CCCN(CCN1CCCCC1)C(=O)Nc1cccc(C#N)c1C ZINC000478095401 1039217592 /nfs/dbraw/zinc/21/75/92/1039217592.db2.gz NVSGQEBYLZVTKG-UHFFFAOYSA-N 0 3 328.460 3.597 20 30 EHEDHN Cc1ccccc1[C@@H](C(C)C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000488809289 1039410822 /nfs/dbraw/zinc/41/08/22/1039410822.db2.gz XGSMKLMQRVULIH-WOJBJXKFSA-N 0 3 329.488 3.678 20 30 EHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000345047495 1039594844 /nfs/dbraw/zinc/59/48/44/1039594844.db2.gz XNCQRZVGHWNDLM-HUUCEWRRSA-N 0 3 346.500 3.639 20 30 EHEDHN C=CCCC[C@H](N)C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000912155551 1039723650 /nfs/dbraw/zinc/72/36/50/1039723650.db2.gz LMWQNSQCCLYLJT-AWEZNQCLSA-N 0 3 349.525 3.522 20 30 EHEDHN Cc1cc2ncc([C@@H](C)N[C@@H]3CCCc4cc(C#N)ccc43)c(C)n2n1 ZINC000417372044 1039743870 /nfs/dbraw/zinc/74/38/70/1039743870.db2.gz VLWSKXFFTMSAMO-JLTOFOAXSA-N 0 3 345.450 3.946 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1cc(OC)ccc1NC(C)=O ZINC000912295103 1039788876 /nfs/dbraw/zinc/78/88/76/1039788876.db2.gz SRSFCLLRTXTELI-INIZCTEOSA-N 0 3 349.475 3.670 20 30 EHEDHN CN(CCC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)s1 ZINC000028884760 1039830736 /nfs/dbraw/zinc/83/07/36/1039830736.db2.gz QOOYRHJOIYFRFN-UHFFFAOYSA-N 0 3 333.844 3.734 20 30 EHEDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000489361932 1039900691 /nfs/dbraw/zinc/90/06/91/1039900691.db2.gz TZFWBBMCIOTFBP-STQMWFEESA-N 0 3 333.501 3.803 20 30 EHEDHN CCC(CC)(NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000110331019 1039987246 /nfs/dbraw/zinc/98/72/46/1039987246.db2.gz HTTVEOBSRKTVNP-GOSISDBHSA-N 0 3 349.906 3.999 20 30 EHEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000489507711 1040047662 /nfs/dbraw/zinc/04/76/62/1040047662.db2.gz JDCOCJDRDIHPDC-CHWSQXEVSA-N 0 3 330.255 3.774 20 30 EHEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000614159518 1040307914 /nfs/dbraw/zinc/30/79/14/1040307914.db2.gz DPVSMZSUUDRUKT-GOSISDBHSA-N 0 3 336.435 3.760 20 30 EHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCc2sccc2C1 ZINC000512631593 1040332542 /nfs/dbraw/zinc/33/25/42/1040332542.db2.gz RSNNLAXGECSSOM-KGLIPLIRSA-N 0 3 343.471 3.856 20 30 EHEDHN N#Cc1c(Cl)nsc1NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192958304 1040334146 /nfs/dbraw/zinc/33/41/46/1040334146.db2.gz LLYGUUAYMJDIQI-ZDUSSCGKSA-N 0 3 332.860 3.602 20 30 EHEDHN COc1ccc([C@H](CO)N(C)Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614166954 1040348849 /nfs/dbraw/zinc/34/88/49/1040348849.db2.gz PYVGFHWJZUAPIQ-FQEVSTJZSA-N 0 3 338.451 3.662 20 30 EHEDHN CN(Cc1ccccc1)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433018176 1040459466 /nfs/dbraw/zinc/45/94/66/1040459466.db2.gz FQOYAOIMEXIMHU-HXUWFJFHSA-N 0 3 335.451 3.670 20 30 EHEDHN COc1cccc([C@H](CN[C@@H](C)c2ccc(C#N)cc2F)N(C)C)c1 ZINC000512669253 1040466679 /nfs/dbraw/zinc/46/66/79/1040466679.db2.gz ZLABJHIPVNTQPY-XOBRGWDASA-N 0 3 341.430 3.659 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000051797534 1040506520 /nfs/dbraw/zinc/50/65/20/1040506520.db2.gz UQQYEJJSKONDKC-WIYYLYMNSA-N 0 3 349.478 3.568 20 30 EHEDHN CN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC12CCCCC2 ZINC000908570482 1040520153 /nfs/dbraw/zinc/52/01/53/1040520153.db2.gz FKDBAZOIDHAJNF-UHFFFAOYSA-N 0 3 339.483 3.578 20 30 EHEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1ccc2c(c1)NC(=O)CO2 ZINC000411455702 1040882036 /nfs/dbraw/zinc/88/20/36/1040882036.db2.gz TWVRPBWOZKAXBP-CQSZACIVSA-N 0 3 327.428 3.532 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCc3c(C)cccc32)CC1 ZINC000660598406 1041713853 /nfs/dbraw/zinc/71/38/53/1041713853.db2.gz YNNWXWMLMMCZJM-HXUWFJFHSA-N 0 3 341.499 3.712 20 30 EHEDHN CN(CCC#N)c1ccc(CN[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000093114625 1041889941 /nfs/dbraw/zinc/88/99/41/1041889941.db2.gz JHTUMGFHLUAHAO-IBGZPJMESA-N 0 3 343.858 3.513 20 30 EHEDHN C[C@@H](CO)[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000661438788 1042126287 /nfs/dbraw/zinc/12/62/87/1042126287.db2.gz WKJJCJIKZJEMFI-WMLDXEAASA-N 0 3 325.374 3.540 20 30 EHEDHN N#CCCCCNCc1cc(Cl)ccc1I ZINC000594923566 1042146341 /nfs/dbraw/zinc/14/63/41/1042146341.db2.gz ZMROQXKXYHDVCM-UHFFFAOYSA-N 0 3 348.615 3.728 20 30 EHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)C1CC1 ZINC000246852498 1042515446 /nfs/dbraw/zinc/51/54/46/1042515446.db2.gz BXCLMIWNDYDQDN-ZIAGYGMSSA-N 0 3 331.485 3.607 20 30 EHEDHN Cc1nn(-c2ccncc2)cc1CN[C@H](CCC#N)c1ccccc1 ZINC000344299432 1043622415 /nfs/dbraw/zinc/62/24/15/1043622415.db2.gz HVQDKHUEPGNHQM-HXUWFJFHSA-N 0 3 331.423 3.710 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2Cl)C(C)C)CC1 ZINC000172150874 1126782722 /nfs/dbraw/zinc/78/27/22/1126782722.db2.gz QXHKEXDMXHEVHM-SFHVURJKSA-N 0 3 349.906 3.987 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000173971907 1126844545 /nfs/dbraw/zinc/84/45/45/1126844545.db2.gz LEWPYEDQVRQLFS-QZTJIDSGSA-N 0 3 335.451 3.981 20 30 EHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000763948127 1126952353 /nfs/dbraw/zinc/95/23/53/1126952353.db2.gz PXQPHKGYLPPCIT-FZMZJTMJSA-N 0 3 335.319 3.716 20 30 EHEDHN C#CCN(C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C)C1CC1 ZINC000763948628 1126952709 /nfs/dbraw/zinc/95/27/09/1126952709.db2.gz CGSKNXVIWIIILB-GMAHTHKFSA-N 0 3 349.474 3.560 20 30 EHEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179763335 1127087311 /nfs/dbraw/zinc/08/73/11/1127087311.db2.gz ZPXPNWIOCJDBCK-HNNXBMFYSA-N 0 3 336.410 3.877 20 30 EHEDHN Cc1cccc([C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(C)(C)C)c1 ZINC000180791538 1127186776 /nfs/dbraw/zinc/18/67/76/1127186776.db2.gz ZLXTUZXIZRTZKM-UYAOXDASSA-N 0 3 329.488 3.726 20 30 EHEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000623996645 1127229040 /nfs/dbraw/zinc/22/90/40/1127229040.db2.gz NEDTULIKFBWFMJ-NXEZZACHSA-N 0 3 334.204 3.705 20 30 EHEDHN COc1cc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000282214202 1128087677 /nfs/dbraw/zinc/08/76/77/1128087677.db2.gz HNVLOPBDFQTPJY-SJORKVTESA-N 0 3 342.464 3.716 20 30 EHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)C1CC1 ZINC000108360961 1128131709 /nfs/dbraw/zinc/13/17/09/1128131709.db2.gz BXCLMIWNDYDQDN-KGLIPLIRSA-N 0 3 331.485 3.607 20 30 EHEDHN C[C@@H](NC[C@@](C)(O)c1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000765812138 1128429859 /nfs/dbraw/zinc/42/98/59/1128429859.db2.gz AFZNBRZZJVASOO-KZULUSFZSA-N 0 3 332.806 3.909 20 30 EHEDHN N#Cc1cc(CN[C@H](CN2CCCCC2)c2ccccc2)cs1 ZINC000921666294 1128445146 /nfs/dbraw/zinc/44/51/46/1128445146.db2.gz CSELBPCQDCUPMX-LJQANCHMSA-N 0 3 325.481 3.937 20 30 EHEDHN Cc1ccc2nccc(N3CCN(c4ccccc4C#N)CC3)c2c1 ZINC000302179354 1128624152 /nfs/dbraw/zinc/62/41/52/1128624152.db2.gz YRAJKQOUPKOWSK-UHFFFAOYSA-N 0 3 328.419 3.742 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@](C)(O)c2cccs2)c([O-])c1 ZINC000265737194 1128730547 /nfs/dbraw/zinc/73/05/47/1128730547.db2.gz ZKIAPDQZCKAPHZ-LSCADSNKSA-N 0 3 332.469 3.627 20 30 EHEDHN N#Cc1ccc(CN2CCCN3c4ccccc4C[C@H]3C2)c(Cl)c1 ZINC000520292057 1128936203 /nfs/dbraw/zinc/93/62/03/1128936203.db2.gz OBBCFBRLAPPZRZ-SFHVURJKSA-N 0 3 337.854 3.849 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000494721205 1120744289 /nfs/dbraw/zinc/74/42/89/1120744289.db2.gz SPTHAUJFVKVQHA-RBUKOAKNSA-N 0 3 327.472 3.574 20 30 EHEDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1CN(CCCC(C)(C)C#N)C2 ZINC000153276930 1120933982 /nfs/dbraw/zinc/93/39/82/1120933982.db2.gz YCVFZIAQUSJEKD-IYBDPMFKSA-N 0 3 335.492 3.790 20 30 EHEDHN CC(C)CCSCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193609257 1121489396 /nfs/dbraw/zinc/48/93/96/1121489396.db2.gz ISRDNQDAKXZGJT-AWEZNQCLSA-N 0 3 338.860 3.767 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000171739033 1121674846 /nfs/dbraw/zinc/67/48/46/1121674846.db2.gz UYHBNVIEYPXSQA-GOSISDBHSA-N 0 3 347.890 3.837 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCCCC)cc2C)CC1 ZINC000171739810 1121684821 /nfs/dbraw/zinc/68/48/21/1121684821.db2.gz JOUHFNQEQSLFTR-UHFFFAOYSA-N 0 3 345.487 3.946 20 30 EHEDHN C=CCN1CCC(NC(=O)c2sc3cc(F)ccc3c2C)CC1 ZINC000497479366 1122566713 /nfs/dbraw/zinc/56/67/13/1122566713.db2.gz HVKICRJXDXDVBL-UHFFFAOYSA-N 0 3 332.444 3.729 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3ccccc3)cc2C)CC1 ZINC000919966529 1123250839 /nfs/dbraw/zinc/25/08/39/1123250839.db2.gz KQBFDUUBMRWHGV-UHFFFAOYSA-N 0 3 332.447 3.946 20 30 EHEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(Cl)c3ccccc32)C1=O ZINC000499636100 1129131967 /nfs/dbraw/zinc/13/19/67/1129131967.db2.gz ZZBNFBCIYCZMES-UGSOOPFHSA-N 0 3 328.843 3.931 20 30 EHEDHN CC(C)[C@H](C)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000609385111 1123567568 /nfs/dbraw/zinc/56/75/68/1123567568.db2.gz PEOXAHXZEFMGCD-CABCVRRESA-N 0 3 333.501 3.853 20 30 EHEDHN Cc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000175112459 1123602319 /nfs/dbraw/zinc/60/23/19/1123602319.db2.gz ZJEYQFBBRXGGCG-NSHDSACASA-N 0 3 334.734 3.650 20 30 EHEDHN C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000068310664 1123911173 /nfs/dbraw/zinc/91/11/73/1123911173.db2.gz SMQUVZQCDQSXFK-SFHVURJKSA-N 0 3 349.478 3.642 20 30 EHEDHN Cc1ccc(NC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000616177072 1123957866 /nfs/dbraw/zinc/95/78/66/1123957866.db2.gz DFRIAJYFGHGSBN-LBPRGKRZSA-N 0 3 342.811 3.899 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]3CCC[C@H]32)c1C ZINC000247524637 1124615607 /nfs/dbraw/zinc/61/56/07/1124615607.db2.gz NSORPVVEFSMIQM-UYAOXDASSA-N 0 3 339.483 3.815 20 30 EHEDHN C[C@H](NCc1ccc(Cn2ccccc2=O)cc1)c1cccc(C#N)c1 ZINC000181605813 1124974054 /nfs/dbraw/zinc/97/40/54/1124974054.db2.gz ZBNUECDROHSMEA-KRWDZBQOSA-N 0 3 343.430 3.619 20 30 EHEDHN C[C@](C#N)(NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000182569272 1125331977 /nfs/dbraw/zinc/33/19/77/1125331977.db2.gz LDFGGIJDAZEKCE-RBUKOAKNSA-N 0 3 345.874 3.579 20 30 EHEDHN N#CCC1(CN[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000619535336 1125362287 /nfs/dbraw/zinc/36/22/87/1125362287.db2.gz RDNGMNAIPHZZRI-CVEARBPZSA-N 0 3 349.272 3.953 20 30 EHEDHN CSc1ccc([C@@H](CNc2snc(C)c2C#N)N(C)C)cc1 ZINC000338835535 1129404887 /nfs/dbraw/zinc/40/48/87/1129404887.db2.gz IBQSPVGHNZNUHB-OAHLLOKOSA-N 0 3 332.498 3.760 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)nc21 ZINC000735791693 1131380682 /nfs/dbraw/zinc/38/06/82/1131380682.db2.gz BOUXMKLUPZNAPD-BZUAXINKSA-N 0 3 333.366 3.990 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cccc2nsnc21 ZINC000766019162 1129800771 /nfs/dbraw/zinc/80/07/71/1129800771.db2.gz RJNYIXFFUHVLKS-UHFFFAOYSA-N 0 3 325.437 3.888 20 30 EHEDHN N#Cc1ccc(CNCCc2nc3ccccc3n2C(F)F)c(F)c1 ZINC000347822107 1129879683 /nfs/dbraw/zinc/87/96/83/1129879683.db2.gz VNNXVKKNINVRDD-UHFFFAOYSA-N 0 3 344.340 3.774 20 30 EHEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000741793826 1131649536 /nfs/dbraw/zinc/64/95/36/1131649536.db2.gz ACZVWPADXAPYII-ILXRZTDVSA-N 0 3 341.480 3.983 20 30 EHEDHN N#CC(C(=O)Cc1cc(F)ccc1F)C(=O)Nc1ccccc1Cl ZINC000744029484 1132006529 /nfs/dbraw/zinc/00/65/29/1132006529.db2.gz UCRUHRGUNUWBBD-GFCCVEGCSA-N 0 3 348.736 3.508 20 30 EHEDHN C=CCOC1CCC(N2CCC[C@H]2C(=O)Nc2ccccc2)CC1 ZINC001173323206 1132047301 /nfs/dbraw/zinc/04/73/01/1132047301.db2.gz SNMMVGDPESBCCM-ACBHZAAOSA-N 0 3 328.456 3.603 20 30 EHEDHN CC(C)(C)OC(=O)N1CCN(C2CCC(CC#N)CC2)C(C)(C)C1 ZINC001173339955 1132054629 /nfs/dbraw/zinc/05/46/29/1132054629.db2.gz WKWBEPQBWFAETQ-UHFFFAOYSA-N 0 3 335.492 3.790 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](C)CC2)cc1 ZINC000745170802 1132212867 /nfs/dbraw/zinc/21/28/67/1132212867.db2.gz RFCMZWSIZDOVJR-WMZOPIPTSA-N 0 3 327.472 3.752 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](C)CC2)cc1 ZINC000745170801 1132213007 /nfs/dbraw/zinc/21/30/07/1132213007.db2.gz RFCMZWSIZDOVJR-FUHWJXTLSA-N 0 3 327.472 3.752 20 30 EHEDHN CC(C)[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000103330709 1132825163 /nfs/dbraw/zinc/82/51/63/1132825163.db2.gz MRGBYMWSRKZCMG-MSOLQXFVSA-N 0 3 326.440 3.584 20 30 EHEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001169844735 1132873644 /nfs/dbraw/zinc/87/36/44/1132873644.db2.gz PUIMKKZMAPEBCG-KRWDZBQOSA-N 0 3 339.483 3.607 20 30 EHEDHN C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001176364819 1132922911 /nfs/dbraw/zinc/92/29/11/1132922911.db2.gz HBYWDVRFKBLOQZ-JXFKEZNVSA-N 0 3 333.435 3.765 20 30 EHEDHN C#CCCOc1ccc(CN(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000768168263 1133104018 /nfs/dbraw/zinc/10/40/18/1133104018.db2.gz FGAIDCUVPSHOIS-UHFFFAOYSA-N 0 3 339.435 3.738 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(-c2ccncn2)cs1 ZINC001177904347 1133111068 /nfs/dbraw/zinc/11/10/68/1133111068.db2.gz OONQFIDCSYWDOK-NSHDSACASA-N 0 3 340.433 3.588 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H](F)c1ccccc1 ZINC000769280689 1133254129 /nfs/dbraw/zinc/25/41/29/1133254129.db2.gz CNHFJIGSEYQLHO-WFASDCNBSA-N 0 3 348.736 3.837 20 30 EHEDHN COc1ccc2c(c1)CCCN(Cc1ccc(O[C@@H](C)C#N)cc1)C2 ZINC000769330585 1133263234 /nfs/dbraw/zinc/26/32/34/1133263234.db2.gz PMEMKANXKOPFDB-INIZCTEOSA-N 0 3 336.435 3.934 20 30 EHEDHN C[C@H]1COCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000769457860 1133294298 /nfs/dbraw/zinc/29/42/98/1133294298.db2.gz VRCBIXOINARLNI-QGZVFWFLSA-N 0 3 336.435 3.606 20 30 EHEDHN C#Cc1ccc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001179985145 1133310604 /nfs/dbraw/zinc/31/06/04/1133310604.db2.gz YCHRWPTUHDQADT-OAQYLSRUSA-N 0 3 347.462 3.844 20 30 EHEDHN CCN1CCN(c2ccc(Nc3snc(Cl)c3C#N)cc2)CC1 ZINC000770972479 1133492483 /nfs/dbraw/zinc/49/24/83/1133492483.db2.gz WLKNIYSKISTLPK-UHFFFAOYSA-N 0 3 347.875 3.554 20 30 EHEDHN CCCCCCCCCC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000785813290 1133754460 /nfs/dbraw/zinc/75/44/60/1133754460.db2.gz VHQQFFUCOIYFFV-SFHVURJKSA-N 0 3 338.536 3.839 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@H](C)c2ccccc2)c1 ZINC000786540321 1133863993 /nfs/dbraw/zinc/86/39/93/1133863993.db2.gz LGISONMHVQJSET-FXAWDEMLSA-N 0 3 348.446 3.904 20 30 EHEDHN C#CCC1(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CCCCC1 ZINC000788192808 1134092814 /nfs/dbraw/zinc/09/28/14/1134092814.db2.gz JCBQMUXXBPSCAZ-AZUAARDMSA-N 0 3 338.495 3.912 20 30 EHEDHN COc1ccc(CNCc2ccc(Br)c(C)c2)cc1C#N ZINC000746743454 1134111364 /nfs/dbraw/zinc/11/13/64/1134111364.db2.gz YBWZOGWMEWLMTB-UHFFFAOYSA-N 0 3 345.240 3.928 20 30 EHEDHN C#CCSCCNCc1nc2ccc(Br)cc2s1 ZINC000775006708 1134203761 /nfs/dbraw/zinc/20/37/61/1134203761.db2.gz JODSYFKIWSZFQQ-UHFFFAOYSA-N 0 3 341.299 3.515 20 30 EHEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCN(CC)CC2)c1 ZINC001189251575 1134557946 /nfs/dbraw/zinc/55/79/46/1134557946.db2.gz CYUIAZKGKBACNR-UHFFFAOYSA-N 0 3 329.488 3.692 20 30 EHEDHN C=CCCCCCN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001190760451 1134741821 /nfs/dbraw/zinc/74/18/21/1134741821.db2.gz JJGKKJNRAJXROR-UHFFFAOYSA-N 0 3 346.906 3.852 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CN(C)Cc1ccccc1N1CCOCC1 ZINC001190864825 1134761643 /nfs/dbraw/zinc/76/16/43/1134761643.db2.gz LNFBZAVOEDZDJZ-UHFFFAOYSA-N 0 3 349.478 3.644 20 30 EHEDHN CN(CCN(C)C(=O)c1cccc(C(C)(C)C#N)c1)Cc1ccccc1 ZINC001190930882 1134766658 /nfs/dbraw/zinc/76/66/58/1134766658.db2.gz GOSNKPDXAUFHTL-UHFFFAOYSA-N 0 3 349.478 3.692 20 30 EHEDHN COc1ccc(C#N)cc1CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792908222 1134820794 /nfs/dbraw/zinc/82/07/94/1134820794.db2.gz LOBANMFUKPAFRV-CABCVRRESA-N 0 3 325.239 3.583 20 30 EHEDHN N#Cc1cc(Cl)cc(CN(CCO)[C@@H]2CCc3ccccc32)c1 ZINC001191304989 1134843743 /nfs/dbraw/zinc/84/37/43/1134843743.db2.gz DYWNWGVZLGMHPO-LJQANCHMSA-N 0 3 326.827 3.693 20 30 EHEDHN N#CC(C(=O)C[C@@H]1CSCCS1)c1ccc2ccccc2n1 ZINC000752473336 1134849823 /nfs/dbraw/zinc/84/98/23/1134849823.db2.gz FZZFNJXQOFAGOL-KGLIPLIRSA-N 0 3 328.462 3.650 20 30 EHEDHN CC[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)[C@H]1C ZINC001193608525 1135158953 /nfs/dbraw/zinc/15/89/53/1135158953.db2.gz YJMXCSOOALDBDL-RCCFBDPRSA-N 0 3 327.472 3.751 20 30 EHEDHN C#CC[C@H](OC(=O)c1cccc(CN2CCCC2)c1)c1ccccn1 ZINC000805874370 1135343029 /nfs/dbraw/zinc/34/30/29/1135343029.db2.gz HCHNTJPBMTVBBI-FQEVSTJZSA-N 0 3 334.419 3.599 20 30 EHEDHN CC1(C)[C@H](c2ccccc2)CCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001195250335 1135399386 /nfs/dbraw/zinc/39/93/86/1135399386.db2.gz MCVFARHWQWDRRE-IBGZPJMESA-N 0 3 333.435 3.765 20 30 EHEDHN C#Cc1cccc(NC(=S)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000806609638 1135469864 /nfs/dbraw/zinc/46/98/64/1135469864.db2.gz SQCYDPYECAIDDH-JXFKEZNVSA-N 0 3 349.503 3.617 20 30 EHEDHN C#CCC(CC#C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000807663485 1135558419 /nfs/dbraw/zinc/55/84/19/1135558419.db2.gz WSROCAHGVCKEFS-LJQANCHMSA-N 0 3 344.886 3.502 20 30 EHEDHN CC[C@H]1C[C@H](C)CN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747532279 1135751387 /nfs/dbraw/zinc/75/13/87/1135751387.db2.gz VWAIUDDESAHNAF-YJBOKZPZSA-N 0 3 327.472 3.671 20 30 EHEDHN N#Cc1cnc(N2CCN3CC[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001158434083 1135830928 /nfs/dbraw/zinc/83/09/28/1135830928.db2.gz RGWIKVRCVOVPRX-INIZCTEOSA-N 0 3 346.459 3.729 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809750525 1135885384 /nfs/dbraw/zinc/88/53/84/1135885384.db2.gz ZFXWZUZSXRIQPL-NVXWUHKLSA-N 0 3 344.455 3.531 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000776005204 1135918767 /nfs/dbraw/zinc/91/87/67/1135918767.db2.gz CQTKNWUASAQXRG-UWJYYQICSA-N 0 3 341.499 3.906 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C2(CCF)CC2)cc1 ZINC000810532405 1135970759 /nfs/dbraw/zinc/97/07/59/1135970759.db2.gz SQFSMSIXZJZZNN-INIZCTEOSA-N 0 3 330.403 3.816 20 30 EHEDHN CN(C)c1ccncc1CN=Nc1nc(Cl)c(Cl)cc1Cl ZINC000776178763 1136022592 /nfs/dbraw/zinc/02/25/92/1136022592.db2.gz DBKNTLNTJNKHNX-UHFFFAOYSA-N 0 3 344.633 3.949 20 30 EHEDHN C#CCOc1ccccc1CNCCOCc1ccc(Cl)cc1 ZINC001201458360 1136022669 /nfs/dbraw/zinc/02/26/69/1136022669.db2.gz PVKCJSUOTVRPNW-UHFFFAOYSA-N 0 3 329.827 3.658 20 30 EHEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1C[C@@H](C)CCC=C(C)C ZINC001201490883 1136027903 /nfs/dbraw/zinc/02/79/03/1136027903.db2.gz PKTAQLPTAUHYDZ-HKUYNNGSSA-N 0 3 331.504 3.904 20 30 EHEDHN C=CCOCc1nn(CC2CC2)c2c1CN(CC(CC)CC)CC2 ZINC001201526207 1136038381 /nfs/dbraw/zinc/03/83/81/1136038381.db2.gz SOXFLYXNMNUKAL-UHFFFAOYSA-N 0 3 331.504 3.790 20 30 EHEDHN C=CCOCc1nn(CC2CC2)c2c1CN(CCCCCC)CC2 ZINC001201746195 1136057669 /nfs/dbraw/zinc/05/76/69/1136057669.db2.gz BBSFQJWYRGAVMR-UHFFFAOYSA-N 0 3 331.504 3.934 20 30 EHEDHN CCCCCCCN1CCC(n2c3ccccc3n(C)c2=O)CC1 ZINC001201787869 1136065942 /nfs/dbraw/zinc/06/59/42/1136065942.db2.gz OTELUZXCZUYKGE-UHFFFAOYSA-N 0 3 329.488 3.947 20 30 EHEDHN C=CCOCc1nn(CC2CC2)c2c1CN(CC1CCCC1)CC2 ZINC001202139108 1136099135 /nfs/dbraw/zinc/09/91/35/1136099135.db2.gz MZFVXBRFIWJLTF-UHFFFAOYSA-N 0 3 329.488 3.544 20 30 EHEDHN C=CCC1(NCc2cc(Br)cnc2Cl)CCOCC1 ZINC000850368942 1136242693 /nfs/dbraw/zinc/24/26/93/1136242693.db2.gz PXFKJPPQSHVVKU-UHFFFAOYSA-N 0 3 345.668 3.712 20 30 EHEDHN C#CCCOc1ccc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1 ZINC000850394808 1136248275 /nfs/dbraw/zinc/24/82/75/1136248275.db2.gz DYKIXTOCVMRVEB-VXKWHMMOSA-N 0 3 337.463 3.937 20 30 EHEDHN N#Cc1cccc(C2(NC[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000812831309 1136256720 /nfs/dbraw/zinc/25/67/20/1136256720.db2.gz KBQSQEAZALMJQJ-QGZVFWFLSA-N 0 3 346.352 3.889 20 30 EHEDHN CC(C)CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000812884725 1136265419 /nfs/dbraw/zinc/26/54/19/1136265419.db2.gz YQDIOCYXLYSXHZ-FQEVSTJZSA-N 0 3 345.462 3.760 20 30 EHEDHN CCOC1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCC1 ZINC000850769152 1136302712 /nfs/dbraw/zinc/30/27/12/1136302712.db2.gz JAJGBWUJMKQGND-NSHDSACASA-N 0 3 333.338 3.567 20 30 EHEDHN CC(C)CCO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813213081 1136303013 /nfs/dbraw/zinc/30/30/13/1136303013.db2.gz HOIKQYVZKLFXAG-YPMHNXCESA-N 0 3 328.334 3.728 20 30 EHEDHN Cc1ccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c(C)c1 ZINC000813218134 1136304046 /nfs/dbraw/zinc/30/40/46/1136304046.db2.gz MHURJHWSGRXLGW-AWEZNQCLSA-N 0 3 348.324 3.973 20 30 EHEDHN CCc1ccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000813217398 1136304178 /nfs/dbraw/zinc/30/41/78/1136304178.db2.gz KZCXVBVXKARLNM-OAHLLOKOSA-N 0 3 348.324 3.918 20 30 EHEDHN C[C@H](CC(C)(C)C#N)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000851205096 1136350619 /nfs/dbraw/zinc/35/06/19/1136350619.db2.gz WVXZMRDPSHZNCV-MRXNPFEDSA-N 0 3 328.456 3.770 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)CC(C)(C)c2ccc(C)cc2)CC1 ZINC000173199211 1136367508 /nfs/dbraw/zinc/36/75/08/1136367508.db2.gz LKOUZAWOXRGPRD-UHFFFAOYSA-N 0 3 343.515 3.564 20 30 EHEDHN CN(CCC#N)c1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000747924281 1136426629 /nfs/dbraw/zinc/42/66/29/1136426629.db2.gz RPJCAIXVEKFFID-UHFFFAOYSA-N 0 3 330.435 3.687 20 30 EHEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000852098262 1136433043 /nfs/dbraw/zinc/43/30/43/1136433043.db2.gz IQDWVHKFUWUEGW-PMACEKPBSA-N 0 3 340.492 3.654 20 30 EHEDHN C#C[C@](C)(CC)NCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000852100792 1136433706 /nfs/dbraw/zinc/43/37/06/1136433706.db2.gz JAEIXPAZCACIRG-PZJWPPBQSA-N 0 3 342.483 3.530 20 30 EHEDHN C=CCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)(C)C ZINC000852554159 1136466039 /nfs/dbraw/zinc/46/60/39/1136466039.db2.gz DYRDYNHXZIAKCN-HNNXBMFYSA-N 0 3 334.423 3.510 20 30 EHEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccc(C(=O)OC)cc1 ZINC000815597564 1136616580 /nfs/dbraw/zinc/61/65/80/1136616580.db2.gz ZATBLXRDPGNFMG-SFHVURJKSA-N 0 3 338.407 3.594 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(C#N)cc2)ccc1OC ZINC000113348213 1136697249 /nfs/dbraw/zinc/69/72/49/1136697249.db2.gz HEESPQSDHFWYMH-GOSISDBHSA-N 0 3 335.407 3.538 20 30 EHEDHN CC(C)(C)SCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114620046 1136813988 /nfs/dbraw/zinc/81/39/88/1136813988.db2.gz GHZKRPOWBHYAEP-LBPRGKRZSA-N 0 3 331.466 3.913 20 30 EHEDHN COc1cc2c(cc1NC(=O)[C@@H](N)CCCC#N)oc1ccccc12 ZINC000818044119 1136860689 /nfs/dbraw/zinc/86/06/89/1136860689.db2.gz PLLVTAHDCSEONB-AWEZNQCLSA-N 0 3 337.379 3.554 20 30 EHEDHN CC1CCC(N(CC(=O)N(CCC#N)c2ccccc2)C2CC2)CC1 ZINC000339006425 1136902899 /nfs/dbraw/zinc/90/28/99/1136902899.db2.gz KAMMAODWNKGMCE-UHFFFAOYSA-N 0 3 339.483 3.976 20 30 EHEDHN COc1ccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)C2CC2)cn1 ZINC000858604721 1136981951 /nfs/dbraw/zinc/98/19/51/1136981951.db2.gz OMSLLHCJWIFICV-VLIAUNLRSA-N 0 3 337.423 3.794 20 30 EHEDHN C#CCCCOc1cccnc1NC[C@@H](c1cccs1)N(C)C ZINC000820605862 1136999943 /nfs/dbraw/zinc/99/99/43/1136999943.db2.gz VWHUUYZBWLHIHV-HNNXBMFYSA-N 0 3 329.469 3.650 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000116591976 1137005812 /nfs/dbraw/zinc/00/58/12/1137005812.db2.gz XIXLONPNRFDYAM-WMLDXEAASA-N 0 3 332.419 3.725 20 30 EHEDHN Cc1ccc(CN2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc1C#N ZINC000859204403 1137007597 /nfs/dbraw/zinc/00/75/97/1137007597.db2.gz HIIPWOQTTJXPPD-RDJZCZTQSA-N 0 3 343.471 3.602 20 30 EHEDHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc1C#N ZINC000859311900 1137011382 /nfs/dbraw/zinc/01/13/82/1137011382.db2.gz LCJIAZPQKKNOAC-INIZCTEOSA-N 0 3 348.450 3.637 20 30 EHEDHN Cc1ccc(C#N)cc1C(=O)N(CCCc1ccccc1)CCN(C)C ZINC001136429984 1137020033 /nfs/dbraw/zinc/02/00/33/1137020033.db2.gz YGNCOXRFHVFZKM-UHFFFAOYSA-N 0 3 349.478 3.503 20 30 EHEDHN CCCCCCCCC(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000863491908 1137189224 /nfs/dbraw/zinc/18/92/24/1137189224.db2.gz COXTWNSXUMPCDE-UHFFFAOYSA-N 0 3 338.536 3.840 20 30 EHEDHN CC[C@@H](OCCN(C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844370104 1137212881 /nfs/dbraw/zinc/21/28/81/1137212881.db2.gz WEXWEACQXMHGIJ-LEWJYISDSA-N 0 3 338.451 3.691 20 30 EHEDHN C[C@@H]1c2ccc(NC(=N)c3ccc4cc(O)ccc4c3)cc2NC1=O ZINC001171185208 1137293357 /nfs/dbraw/zinc/29/33/57/1137293357.db2.gz UFOSPCLIFSSCMM-LLVKDONJSA-N 0 3 331.375 3.638 20 30 EHEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000865731449 1137307599 /nfs/dbraw/zinc/30/75/99/1137307599.db2.gz OBGCNRTWHUYQTI-QWHCGFSZSA-N 0 3 337.379 3.675 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@H](N[C@@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000846062082 1137332137 /nfs/dbraw/zinc/33/21/37/1137332137.db2.gz XOTBSBQMLPQVOI-DJIMGWMZSA-N 0 3 341.455 3.635 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000866485404 1137358433 /nfs/dbraw/zinc/35/84/33/1137358433.db2.gz PZMBQPBWSGHMAN-UONOGXRCSA-N 0 3 336.391 3.957 20 30 EHEDHN N#CC1(Nc2cc3[nH]cnc3cc2F)CCN(Cc2ccccc2)CC1 ZINC001171277012 1137390250 /nfs/dbraw/zinc/39/02/50/1137390250.db2.gz HSXZNNORUFMTER-UHFFFAOYSA-N 0 3 349.413 3.672 20 30 EHEDHN N#CC1(Nc2cc3nc[nH]c3cc2F)CCN(Cc2ccccc2)CC1 ZINC001171277012 1137390252 /nfs/dbraw/zinc/39/02/52/1137390252.db2.gz HSXZNNORUFMTER-UHFFFAOYSA-N 0 3 349.413 3.672 20 30 EHEDHN Cc1cc2c(CC(=O)C(C#N)C(=O)NC3CCCC3)csc2s1 ZINC000870158937 1137478759 /nfs/dbraw/zinc/47/87/59/1137478759.db2.gz MQNMZWPYIIFJBL-AWEZNQCLSA-N 0 3 346.477 3.581 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001172310865 1137546085 /nfs/dbraw/zinc/54/60/85/1137546085.db2.gz KIIJNADUFIDIOC-OALUTQOASA-N 0 3 333.479 3.696 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cn(Cc2ccc(F)cc2)cn1 ZINC001172300183 1137549372 /nfs/dbraw/zinc/54/93/72/1137549372.db2.gz SLARSYNTVRFMFT-INIZCTEOSA-N 0 3 348.425 3.663 20 30 EHEDHN CCCCCCC[C@H](CC)N1CCO[C@]2(CCCN(C(C)=O)C2)C1 ZINC001172355061 1137554296 /nfs/dbraw/zinc/55/42/96/1137554296.db2.gz MEQGHOLHNVPINV-PMACEKPBSA-N 0 3 338.536 3.839 20 30 EHEDHN Cc1cc(F)c(C#N)cc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000874900268 1137625748 /nfs/dbraw/zinc/62/57/48/1137625748.db2.gz BJAGMRJRRIIMEA-UHFFFAOYSA-N 0 3 337.398 3.854 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000876647240 1137658105 /nfs/dbraw/zinc/65/81/05/1137658105.db2.gz AWUDITRXJPAHNU-MRXNPFEDSA-N 0 3 342.817 3.706 20 30 EHEDHN CN(C)c1ccc(C#N)cc1CN1CCC(OC2CCCC2)CC1 ZINC000876659849 1137658482 /nfs/dbraw/zinc/65/84/82/1137658482.db2.gz HSHBCJOJPPTISJ-UHFFFAOYSA-N 0 3 327.472 3.548 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000876675836 1137658727 /nfs/dbraw/zinc/65/87/27/1137658727.db2.gz FSVGUQZIWOTRHB-CYBMUJFWSA-N 0 3 332.835 3.560 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000876686121 1137659106 /nfs/dbraw/zinc/65/91/06/1137659106.db2.gz QDVAYMUYBFJMGY-CQSZACIVSA-N 0 3 326.799 3.556 20 30 EHEDHN CCN(CC)[C@@H](CNCc1cc(C#N)cnc1Cl)c1ccsc1 ZINC000876931630 1137665583 /nfs/dbraw/zinc/66/55/83/1137665583.db2.gz ZXUCJMRAGPZVFG-INIZCTEOSA-N 0 3 348.903 3.841 20 30 EHEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)COCc1ccccc1 ZINC000876963494 1137666369 /nfs/dbraw/zinc/66/63/69/1137666369.db2.gz PZOFVWQNNXDUGA-AWEZNQCLSA-N 0 3 329.831 3.549 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC[C@H]2SCCc3ccccc32)c1 ZINC000877073308 1137669646 /nfs/dbraw/zinc/66/96/46/1137669646.db2.gz HYLQFDPHDWRLSE-MRXNPFEDSA-N 0 3 329.856 3.727 20 30 EHEDHN N#Cc1cccc(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000877312912 1137674080 /nfs/dbraw/zinc/67/40/80/1137674080.db2.gz ZZSFMQOVXZCQIN-AWEZNQCLSA-N 0 3 331.341 3.962 20 30 EHEDHN CO[C@]1(C)C[C@@H](N(C)CC[C@@](C#N)(C(C)=O)c2ccccc2)C1(C)C ZINC000878152069 1137704583 /nfs/dbraw/zinc/70/45/83/1137704583.db2.gz FTYRUPJPRBLERN-HMXCVIKNSA-N 0 3 342.483 3.562 20 30 EHEDHN N#CCC1(CN(Cc2ccccc2)C[C@H](O)c2ccsc2)CC1 ZINC000878185641 1137706346 /nfs/dbraw/zinc/70/63/46/1137706346.db2.gz LRFKXHNNBATLNE-SFHVURJKSA-N 0 3 326.465 3.978 20 30 EHEDHN N#Cc1cnccc1CN1CCC[C@H](c2cc(-c3ccccc3)[nH]n2)C1 ZINC000880274922 1137772617 /nfs/dbraw/zinc/77/26/17/1137772617.db2.gz ACPCBRWENDOHQO-SFHVURJKSA-N 0 3 343.434 3.723 20 30 EHEDHN N#CCOc1ccc(Cl)cc1CN1CCC2(CCCCO2)CC1 ZINC000880454448 1137778864 /nfs/dbraw/zinc/77/88/64/1137778864.db2.gz DDLYGTBHPOOLPQ-UHFFFAOYSA-N 0 3 334.847 3.777 20 30 EHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1oc(CC)cc1C ZINC000128743416 1137796663 /nfs/dbraw/zinc/79/66/63/1137796663.db2.gz WSISHSKRVATNLO-CQSZACIVSA-N 0 3 340.379 3.510 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000106038454 1137882525 /nfs/dbraw/zinc/88/25/25/1137882525.db2.gz JROCGDHJERQEPR-UHFFFAOYSA-N 0 3 345.245 3.903 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](CC)c2c(C)nn(C)c2C)cc1 ZINC000133727982 1137908758 /nfs/dbraw/zinc/90/87/58/1137908758.db2.gz LMDKEQBWHJUXFN-KUHUBIRLSA-N 0 3 325.456 3.851 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc3c(c2)OCCCO3)cc1 ZINC000113334627 1137912673 /nfs/dbraw/zinc/91/26/73/1137912673.db2.gz SGLKJSYCPVPFRW-UHFFFAOYSA-N 0 3 337.419 3.540 20 30 EHEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(OC)cc1 ZINC000019625882 1137955772 /nfs/dbraw/zinc/95/57/72/1137955772.db2.gz GOVKYXWXKSIKFN-KBXCAEBGSA-N 0 3 337.423 3.635 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000121394817 1137957475 /nfs/dbraw/zinc/95/74/75/1137957475.db2.gz RBASMPPQKSOVSS-UHFFFAOYSA-N 0 3 346.434 3.823 20 30 EHEDHN CCCC[C@@H](CC)CCCN(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884422374 1137959597 /nfs/dbraw/zinc/95/95/97/1137959597.db2.gz VMMADVVBBZWQEQ-BOHSKOPMSA-N 0 3 333.520 3.581 20 30 EHEDHN C#CCN(C(=O)c1oc2c(c1C)c(C)ccc2C)C1CCN(C)CC1 ZINC000886583361 1138099176 /nfs/dbraw/zinc/09/91/76/1138099176.db2.gz NKMORBOPFZYFNM-UHFFFAOYSA-N 0 3 338.451 3.528 20 30 EHEDHN N#CCCCCN1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC000887143855 1138221896 /nfs/dbraw/zinc/22/18/96/1138221896.db2.gz RIFTVNFQGRHCAI-FHWLQOOXSA-N 0 3 326.440 3.667 20 30 EHEDHN CC(C)(CCC#N)CN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000092453307 1138228173 /nfs/dbraw/zinc/22/81/73/1138228173.db2.gz UVJHIRKGITVGBD-UHFFFAOYSA-N 0 3 347.890 3.818 20 30 EHEDHN CN(CC(C)(C)CCC#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000093360031 1138236690 /nfs/dbraw/zinc/23/66/90/1138236690.db2.gz XEJIYNAKVCTZOW-MRXNPFEDSA-N 0 3 333.863 3.707 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(Cl)c2OC)CC1 ZINC000264339176 1138481384 /nfs/dbraw/zinc/48/13/84/1138481384.db2.gz BOBKYKGRHGTKMU-UHFFFAOYSA-N 0 3 337.851 3.511 20 30 EHEDHN CC(C)COC[C@@H](NCCCC1(C#N)CCOCC1)c1ccco1 ZINC000337203120 1138494274 /nfs/dbraw/zinc/49/42/74/1138494274.db2.gz HJUWRIVVNLTISS-QGZVFWFLSA-N 0 3 334.460 3.683 20 30 EHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000136245708 1138792340 /nfs/dbraw/zinc/79/23/40/1138792340.db2.gz BYNZWSNEOGXXSV-ZDUSSCGKSA-N 0 3 337.398 3.897 20 30 EHEDHN Clc1ccc(C#CCN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000152154240 1139076775 /nfs/dbraw/zinc/07/67/75/1139076775.db2.gz KRHAPNCRYKJZQU-MRXNPFEDSA-N 0 3 340.858 3.567 20 30 EHEDHN Clc1ccc(C#CCN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000152154240 1139076782 /nfs/dbraw/zinc/07/67/82/1139076782.db2.gz KRHAPNCRYKJZQU-MRXNPFEDSA-N 0 3 340.858 3.567 20 30 EHEDHN N#Cc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000176953417 1139589843 /nfs/dbraw/zinc/58/98/43/1139589843.db2.gz HMEWRECRFYPPSS-GOSISDBHSA-N 0 3 326.421 3.632 20 30 EHEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)c1cccc(C#N)c1 ZINC000189867860 1140369597 /nfs/dbraw/zinc/36/95/97/1140369597.db2.gz OBRVSEMLVMIVHF-INIZCTEOSA-N 0 3 335.451 3.843 20 30 EHEDHN CC[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C)cc1 ZINC000190627224 1140411647 /nfs/dbraw/zinc/41/16/47/1140411647.db2.gz VKERYGATKRKGEC-SFTDATJTSA-N 0 3 347.462 3.709 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000268006145 1140865327 /nfs/dbraw/zinc/86/53/27/1140865327.db2.gz JDFKISBXPBFKBP-LJQANCHMSA-N 0 3 345.462 3.713 20 30 EHEDHN COc1cc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc(OC)c1OC ZINC000268999918 1141042627 /nfs/dbraw/zinc/04/26/27/1141042627.db2.gz UOFIEVGUVUYSER-KGLIPLIRSA-N 0 3 340.423 3.996 20 30 EHEDHN CC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000271634714 1141410350 /nfs/dbraw/zinc/41/03/50/1141410350.db2.gz GHDUXVKHQSKPCR-INIZCTEOSA-N 0 3 327.453 3.916 20 30 EHEDHN CN(CCCCC(C)(C)C#N)Cc1cc(Br)cn1C ZINC000277581687 1026148904 /nfs/dbraw/zinc/14/89/04/1026148904.db2.gz CHWDGVXVHPDSHT-UHFFFAOYSA-N 0 3 326.282 3.939 20 30 EHEDHN N#CC(C(=O)C=Cc1ccccc1OC(F)(F)F)c1ccccn1 ZINC000049457681 1014171808 /nfs/dbraw/zinc/17/18/08/1014171808.db2.gz DOXYYHFAGJCZFG-XEHSLEBBSA-N 0 3 332.281 3.870 20 30 EHEDHN N#CC(C(=O)CCCc1ncc(-c2ccccc2)o1)c1ccccn1 ZINC000049458679 1014172956 /nfs/dbraw/zinc/17/29/56/1014172956.db2.gz DSBXEKVFBYZDKA-MRXNPFEDSA-N 0 3 331.375 3.936 20 30 EHEDHN C=CCOc1cccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000339427338 1014405801 /nfs/dbraw/zinc/40/58/01/1014405801.db2.gz XHDUIQOSNJSRCQ-UHFFFAOYSA-N 0 3 336.435 3.515 20 30 EHEDHN Cc1ccccc1C(C)(C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000339491302 1014580899 /nfs/dbraw/zinc/58/08/99/1014580899.db2.gz ZUMHOQVSRKNBNJ-UHFFFAOYSA-N 0 3 335.451 3.767 20 30 EHEDHN Cc1cccc([C@H]2CCCN2CC(=O)NCc2ccc(C#N)cc2)c1C ZINC000610215056 1015003804 /nfs/dbraw/zinc/00/38/04/1015003804.db2.gz DJVRRAXIWYUYQH-OAQYLSRUSA-N 0 3 347.462 3.628 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)Cc2ccccc2)CC1 ZINC000117408623 1015150814 /nfs/dbraw/zinc/15/08/14/1015150814.db2.gz RPWQTFMINVBAOK-UHFFFAOYSA-N 0 3 343.515 3.595 20 30 EHEDHN Cc1cccc([C@@H]2CCCCN2Cc2cnc3c(C#N)cnn3c2)c1C ZINC000579838749 1015157263 /nfs/dbraw/zinc/15/72/63/1015157263.db2.gz VSZDUOUHPQLDNK-FQEVSTJZSA-N 0 3 345.450 3.945 20 30 EHEDHN CC(C)CN(CCc1ccccc1)CC(=O)NC1(C#N)CCCCC1 ZINC000519989960 1015289178 /nfs/dbraw/zinc/28/91/78/1015289178.db2.gz AFWLEYRRROHTGE-UHFFFAOYSA-N 0 3 341.499 3.530 20 30 EHEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336792209 1015328361 /nfs/dbraw/zinc/32/83/61/1015328361.db2.gz RATXDETWMCAFJC-OAHLLOKOSA-N 0 3 346.356 3.658 20 30 EHEDHN CC[C@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000278730825 1032156644 /nfs/dbraw/zinc/15/66/44/1032156644.db2.gz MSHUJAVFACEWAK-IBGZPJMESA-N 0 3 335.407 3.756 20 30 EHEDHN CCCOc1c(Cl)cc(/C=C2/C(=O)c3ncnn3C2C)cc1OC ZINC000905079728 1032332620 /nfs/dbraw/zinc/33/26/20/1032332620.db2.gz FWSXJWUOVWUZGG-HAAVITCDSA-N 0 3 347.802 3.570 20 30 EHEDHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCC(C)(C)CC#N ZINC000459706305 1032413510 /nfs/dbraw/zinc/41/35/10/1032413510.db2.gz ZDNQLTALYVYFOJ-UHFFFAOYSA-N 0 3 332.398 3.797 20 30 EHEDHN N#Cc1c(F)cccc1CNC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000602002986 1032589111 /nfs/dbraw/zinc/58/91/11/1032589111.db2.gz CLLRQSYJSRDLAA-CYBMUJFWSA-N 0 3 345.368 3.592 20 30 EHEDHN Cc1cccc2c1ncc(C#N)c2NC[C@H](c1ccc(F)cc1)N(C)C ZINC000610273928 1017160389 /nfs/dbraw/zinc/16/03/89/1017160389.db2.gz FFHJCTLJGJIYIP-LJQANCHMSA-N 0 3 348.425 3.691 20 30 EHEDHN C#C[C@H]1CC[C@H](N[C@@H](C)c2nc(Br)ccc2F)CC1 ZINC000926839663 1017239302 /nfs/dbraw/zinc/23/93/02/1017239302.db2.gz MROUXOZEHNKOFD-SRVKXCTJSA-N 0 3 325.225 3.826 20 30 EHEDHN CC(C)C[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000341018387 1017779303 /nfs/dbraw/zinc/77/93/03/1017779303.db2.gz QYNDBRWMWJLBRA-HXUWFJFHSA-N 0 3 335.451 3.551 20 30 EHEDHN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415586426 1018256904 /nfs/dbraw/zinc/25/69/04/1018256904.db2.gz VSMSJLXMOGXSBF-PBHICJAKSA-N 0 3 345.487 3.773 20 30 EHEDHN CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCN(C)C1 ZINC000597946598 1032786875 /nfs/dbraw/zinc/78/68/75/1032786875.db2.gz QERJASFKBASRQO-GOSISDBHSA-N 0 3 349.434 3.517 20 30 EHEDHN COC(=O)c1cc(CN[C@H](C)c2ccc(C#N)cc2)[nH]c1C(C)C ZINC000894165696 1018827927 /nfs/dbraw/zinc/82/79/27/1018827927.db2.gz RZFYQOFVAONJPM-CYBMUJFWSA-N 0 3 325.412 3.647 20 30 EHEDHN C=CCCCN(C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000513386664 1019595416 /nfs/dbraw/zinc/59/54/16/1019595416.db2.gz ONFTXVCKFPNOAK-QGZVFWFLSA-N 0 3 336.426 3.568 20 30 EHEDHN COc1ccccc1OCCN[C@@H](C)c1ccc(C#N)cc1Cl ZINC000581168997 1020496870 /nfs/dbraw/zinc/49/68/70/1020496870.db2.gz HLEGTPQLEZDOEQ-ZDUSSCGKSA-N 0 3 330.815 3.950 20 30 EHEDHN O=C1C=COC2(CC[NH+](Cc3cc(-c4ccccc4)ccc3[O-])CC2)C1 ZINC000897602417 1032931078 /nfs/dbraw/zinc/93/10/78/1032931078.db2.gz OGEZMHJVAJPIMZ-UHFFFAOYSA-N 0 3 349.430 3.897 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000614510741 1021234892 /nfs/dbraw/zinc/23/48/92/1021234892.db2.gz AJLSPSBOJZUBGE-HNNXBMFYSA-N 0 3 333.435 3.643 20 30 EHEDHN CCN1CCN(Cc2ccc(NCC(C)(C)CCC#N)cc2)CC1 ZINC000156347721 1021494972 /nfs/dbraw/zinc/49/49/72/1021494972.db2.gz OUICBGRNNZFBKT-UHFFFAOYSA-N 0 3 328.504 3.566 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000058451095 1021721498 /nfs/dbraw/zinc/72/14/98/1021721498.db2.gz WFQAXNAQLJNQSK-UHFFFAOYSA-N 0 3 340.471 3.597 20 30 EHEDHN C=CCN(CC=C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000519935470 1021794570 /nfs/dbraw/zinc/79/45/70/1021794570.db2.gz TTXXLPGRIQWQHU-IBGZPJMESA-N 0 3 327.472 3.516 20 30 EHEDHN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@H](N)CCCCC#N ZINC000602587230 1033008241 /nfs/dbraw/zinc/00/82/41/1033008241.db2.gz YFUPDJRTSYQMHU-MJGOQNOKSA-N 0 3 349.906 3.825 20 30 EHEDHN N#Cc1cccc(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000602607591 1033023345 /nfs/dbraw/zinc/02/33/45/1033023345.db2.gz ZCXKFWXCNFBYCR-AWEZNQCLSA-N 0 3 347.249 3.629 20 30 EHEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000441339034 1022159199 /nfs/dbraw/zinc/15/91/99/1022159199.db2.gz HAGGVFMENHSAJX-PZJWPPBQSA-N 0 3 343.515 3.693 20 30 EHEDHN Cc1ccc([C@@H]2CSCCN2C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000156423656 1022211161 /nfs/dbraw/zinc/21/11/61/1022211161.db2.gz DGVYNAOCBUUOFM-PMACEKPBSA-N 0 3 338.476 3.690 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000517318039 1022240191 /nfs/dbraw/zinc/24/01/91/1022240191.db2.gz DBBJMPWLNBGEAA-PKOBYXMFSA-N 0 3 335.536 3.931 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCc2ccccc2CC1 ZINC000528906196 1033048553 /nfs/dbraw/zinc/04/85/53/1033048553.db2.gz DGGCOQOHLUVOSJ-SFHVURJKSA-N 0 3 343.430 3.945 20 30 EHEDHN CC(C)[C@H](NCC(=O)NCC#N)c1ccc(C2CCCCC2)cc1 ZINC000110937640 1022375543 /nfs/dbraw/zinc/37/55/43/1022375543.db2.gz VTMWOUGNSPTMSW-FQEVSTJZSA-N 0 3 327.472 3.661 20 30 EHEDHN CC(=O)N1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)c2ccccc21 ZINC000328799782 1022503902 /nfs/dbraw/zinc/50/39/02/1022503902.db2.gz HQBZUKUXYOOUFA-YJBOKZPZSA-N 0 3 343.471 3.705 20 30 EHEDHN O=C(CN1CC[C@H](C2CC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328940311 1022537914 /nfs/dbraw/zinc/53/79/14/1022537914.db2.gz KQSZYYWJUVQSGH-SOZFHFLDSA-N 0 3 345.487 3.558 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000341611095 1022553251 /nfs/dbraw/zinc/55/32/51/1022553251.db2.gz ZRRGFYXHHXMWPM-FUHWJXTLSA-N 0 3 329.488 3.762 20 30 EHEDHN CC(C)CNC(=O)c1cccc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000330714834 1022658827 /nfs/dbraw/zinc/65/88/27/1022658827.db2.gz SHLQATKCKZIXPF-OALUTQOASA-N 0 3 346.515 3.876 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1CCCCCC1 ZINC000426083250 1022869458 /nfs/dbraw/zinc/86/94/58/1022869458.db2.gz AXNXDVUCGWRPEP-UHFFFAOYSA-N 0 3 341.499 3.809 20 30 EHEDHN C[C@H]1CCN(c2c(F)cc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000383079208 1022924149 /nfs/dbraw/zinc/92/41/49/1022924149.db2.gz APAAGCLMYLQHAC-HNNXBMFYSA-N 0 3 341.405 3.937 20 30 EHEDHN COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000119413132 1022991304 /nfs/dbraw/zinc/99/13/04/1022991304.db2.gz VXUAAMFSRZYGAA-OAHLLOKOSA-N 0 3 340.398 3.509 20 30 EHEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000337955919 1023420017 /nfs/dbraw/zinc/42/00/17/1023420017.db2.gz OSLXEFMMNYKPFS-HXUWFJFHSA-N 0 3 347.462 3.603 20 30 EHEDHN C[C@H](O)CN(Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000535798087 1023644903 /nfs/dbraw/zinc/64/49/03/1023644903.db2.gz FJMPYDOHXOSKKI-SFHVURJKSA-N 0 3 338.451 3.752 20 30 EHEDHN Cc1cc(Br)cc(C)c1CNCc1cc(C#N)n(C)c1 ZINC000276989758 1023669421 /nfs/dbraw/zinc/66/94/21/1023669421.db2.gz WBCXQJSTALWPIG-UHFFFAOYSA-N 0 3 332.245 3.566 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C)CC1 ZINC000063302581 1033164521 /nfs/dbraw/zinc/16/45/21/1033164521.db2.gz IWJLHDVEWCKYFB-HZPDHXFCSA-N 0 3 331.435 3.583 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065966693 1033198003 /nfs/dbraw/zinc/19/80/03/1033198003.db2.gz PZMQJMSULWLJSN-UHFFFAOYSA-N 0 3 339.483 3.772 20 30 EHEDHN CCc1ccc2c(c1)[C@H](CCNC(=O)[C@@H]1CCCN1C1CC1)C(=O)N2 ZINC000330207255 1024356087 /nfs/dbraw/zinc/35/60/87/1024356087.db2.gz AEGNRMHSJPBJFO-YJBOKZPZSA-N 0 3 341.455 3.908 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000342229730 1024483049 /nfs/dbraw/zinc/48/30/49/1024483049.db2.gz UWBHKXLSXMOSSI-OAHLLOKOSA-N 0 3 328.378 3.827 20 30 EHEDHN C(#Cc1ccccc1)CNCc1cccc(COC[C@H]2CCCO2)c1 ZINC000895468284 1024540369 /nfs/dbraw/zinc/54/03/69/1024540369.db2.gz IITYOWDKVJIANA-JOCHJYFZSA-N 0 3 335.447 3.524 20 30 EHEDHN N#Cc1csc(CN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000435061043 1024589080 /nfs/dbraw/zinc/58/90/80/1024589080.db2.gz WQOKVYAGKDCPTM-UHFFFAOYSA-N 0 3 326.469 3.532 20 30 EHEDHN N#Cc1cnc(Cl)c(CN[C@H]2C[C@H](c3ccc(F)cc3F)C2)c1 ZINC000897882399 1033223033 /nfs/dbraw/zinc/22/30/33/1033223033.db2.gz NSVJEZDHNWLVGA-YEORSEQZSA-N 0 3 333.769 3.921 20 30 EHEDHN N#Cc1cccc(SC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000430137315 1024666891 /nfs/dbraw/zinc/66/68/91/1024666891.db2.gz VTHGAAINRNKLAS-LJQANCHMSA-N 0 3 338.476 3.941 20 30 EHEDHN Cc1csc(NC(=O)N(CCN(C)C)Cc2cccs2)c1C#N ZINC000514706134 1024685044 /nfs/dbraw/zinc/68/50/44/1024685044.db2.gz HVMZLZZYFVBICX-UHFFFAOYSA-N 0 3 348.497 3.585 20 30 EHEDHN C[C@@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)NC1(C#N)CCC1 ZINC000346488649 1024797529 /nfs/dbraw/zinc/79/75/29/1024797529.db2.gz HOPIGYYNMKVYJF-QWHCGFSZSA-N 0 3 327.453 3.503 20 30 EHEDHN COc1ccc([C@H](CNc2ccc(C#N)cc2F)N2CCCC2)cc1 ZINC000072072986 1025291765 /nfs/dbraw/zinc/29/17/65/1025291765.db2.gz IWYZIHBPDUHICP-FQEVSTJZSA-N 0 3 339.414 3.955 20 30 EHEDHN N#Cc1ccc(NC2CCN(CCOc3ccc(F)cc3)CC2)cc1 ZINC000474785351 1025480879 /nfs/dbraw/zinc/48/08/79/1025480879.db2.gz YHKAROWGSTUYES-UHFFFAOYSA-N 0 3 339.414 3.653 20 30 EHEDHN Cc1cccc(CN(CC(=O)NCc2cccc(C#N)c2)CC(C)C)c1 ZINC000521821492 1025709629 /nfs/dbraw/zinc/70/96/29/1025709629.db2.gz GOHGDASYHIRGSJ-UHFFFAOYSA-N 0 3 349.478 3.641 20 30 EHEDHN C=CCCCCNCc1cc(OC)c(OC)cc1Br ZINC000388913929 1025978719 /nfs/dbraw/zinc/97/87/19/1025978719.db2.gz NUKFPWOPUCBASZ-UHFFFAOYSA-N 0 3 328.250 3.912 20 30 EHEDHN C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1CN(C)C)c1cccc(C#N)c1 ZINC000425613054 1026064131 /nfs/dbraw/zinc/06/41/31/1026064131.db2.gz VSONMPILFQRNNP-OXQOHEQNSA-N 0 3 347.462 3.571 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)ccc1OCc1cccnc1 ZINC000451610809 1026168814 /nfs/dbraw/zinc/16/88/14/1026168814.db2.gz ZYQLYKWHXOMCLX-MSOLQXFVSA-N 0 3 344.842 3.747 20 30 EHEDHN CN(Cc1ccc(F)cc1C#N)C1CCN(CCC(F)(F)F)CC1 ZINC000452113878 1026501775 /nfs/dbraw/zinc/50/17/75/1026501775.db2.gz IVDKPNQTDAFQCK-UHFFFAOYSA-N 0 3 343.368 3.546 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1(C)CCCCC1 ZINC000509631295 1026558552 /nfs/dbraw/zinc/55/85/52/1026558552.db2.gz FRLWSDXNIQCNBG-UHFFFAOYSA-N 0 3 341.499 3.809 20 30 EHEDHN C=CCC[C@H](CCC)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000475430694 1026611926 /nfs/dbraw/zinc/61/19/26/1026611926.db2.gz VDKYNGBVNLQOIK-LSDHHAIUSA-N 0 3 339.277 3.700 20 30 EHEDHN CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000272788399 1027117674 /nfs/dbraw/zinc/11/76/74/1027117674.db2.gz WLROIQYLESLYJM-SFHVURJKSA-N 0 3 333.476 3.966 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](c2ccccc2)C1 ZINC000123402350 1027290106 /nfs/dbraw/zinc/29/01/06/1027290106.db2.gz ROHCJZFAHXWLFP-ICSRJNTNSA-N 0 3 347.462 3.811 20 30 EHEDHN C[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)N(C)Cc1ccccc1 ZINC000475902060 1027440720 /nfs/dbraw/zinc/44/07/20/1027440720.db2.gz UDIXCPMGBYKXLD-QGZVFWFLSA-N 0 3 349.478 3.738 20 30 EHEDHN N#CCC1(CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000430061063 1027734633 /nfs/dbraw/zinc/73/46/33/1027734633.db2.gz WDAIFNWFATUPHZ-UHFFFAOYSA-N 0 3 348.372 3.734 20 30 EHEDHN N#CCCCOc1cccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000414482789 1027935050 /nfs/dbraw/zinc/93/50/50/1027935050.db2.gz GNXLJEGUKQKIQJ-TZIWHRDSSA-N 0 3 336.435 3.677 20 30 EHEDHN C=CCCO[C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000347342510 1027987253 /nfs/dbraw/zinc/98/72/53/1027987253.db2.gz WNQWUCZUXBTZPX-AZUAARDMSA-N 0 3 344.499 3.557 20 30 EHEDHN C=CCSCCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000237764837 1028104996 /nfs/dbraw/zinc/10/49/96/1028104996.db2.gz CWDOJDIWZVDVDT-INIZCTEOSA-N 0 3 341.904 3.907 20 30 EHEDHN C[C@@H]1COCCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444656620 1028120656 /nfs/dbraw/zinc/12/06/56/1028120656.db2.gz HBGZAUKDCHVEIV-IBGZPJMESA-N 0 3 334.463 3.855 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000502500217 1028259030 /nfs/dbraw/zinc/25/90/30/1028259030.db2.gz UTQDUGDCINUJJI-SFHVURJKSA-N 0 3 331.843 3.768 20 30 EHEDHN C=CCc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(OC)c1OC ZINC000073975347 1028590202 /nfs/dbraw/zinc/59/02/02/1028590202.db2.gz SEAHSJNOLQKOCP-AWEZNQCLSA-N 0 3 342.420 3.687 20 30 EHEDHN C=CCc1cc(C(=O)C(C#N)c2nc(C)cs2)cc(OC)c1OC ZINC000073975347 1028590216 /nfs/dbraw/zinc/59/02/16/1028590216.db2.gz SEAHSJNOLQKOCP-AWEZNQCLSA-N 0 3 342.420 3.687 20 30 EHEDHN CCCCc1ccc([C@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1 ZINC000424063788 1028770991 /nfs/dbraw/zinc/77/09/91/1028770991.db2.gz IUCNYEAPANDGHY-RTBURBONSA-N 0 3 329.488 3.864 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424098477 1028800451 /nfs/dbraw/zinc/80/04/51/1028800451.db2.gz KYBACLBMUIOCBW-YGRLFVJLSA-N 0 3 328.243 3.534 20 30 EHEDHN Cc1ccccc1[C@H](NC(=O)[C@H](N)CCCC#N)[C@@H]1CCC[C@H](C)C1 ZINC000424111575 1028807611 /nfs/dbraw/zinc/80/76/11/1028807611.db2.gz AUZMLBONPSKGSP-JQERWDHBSA-N 0 3 341.499 4.000 20 30 EHEDHN N#CCCC[C@H](N)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000424113671 1028808739 /nfs/dbraw/zinc/80/87/39/1028808739.db2.gz NYQRMWPBLVWJLH-INIZCTEOSA-N 0 3 333.863 3.637 20 30 EHEDHN Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424124513 1028819542 /nfs/dbraw/zinc/81/95/42/1028819542.db2.gz MJPAYLXPPVKKGQ-LLVKDONJSA-N 0 3 345.390 3.609 20 30 EHEDHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424190290 1028877554 /nfs/dbraw/zinc/87/75/54/1028877554.db2.gz FTGAASKKSXIMIJ-DZGCQCFKSA-N 0 3 330.382 3.549 20 30 EHEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000424548979 1029117466 /nfs/dbraw/zinc/11/74/66/1029117466.db2.gz XEWOJNSIFQPOEL-UHFFFAOYSA-N 0 3 329.488 3.678 20 30 EHEDHN C=CCCc1ccccc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000505052451 1029178959 /nfs/dbraw/zinc/17/89/59/1029178959.db2.gz TUPMCLNMDGQWEL-UHFFFAOYSA-N 0 3 327.472 3.897 20 30 EHEDHN C[C@@H](c1ccccc1F)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000324849170 1029182168 /nfs/dbraw/zinc/18/21/68/1029182168.db2.gz FIUYIPYRHGJVQM-AWEZNQCLSA-N 0 3 325.387 3.719 20 30 EHEDHN CC[C@H](CN(CC)CC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000481746685 1029893599 /nfs/dbraw/zinc/89/35/99/1029893599.db2.gz SUGIISYLVWUAKS-QZTJIDSGSA-N 0 3 329.488 3.510 20 30 EHEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000429708380 1029961652 /nfs/dbraw/zinc/96/16/52/1029961652.db2.gz MIABSJZGAKEEAA-QGZVFWFLSA-N 0 3 331.504 3.577 20 30 EHEDHN C=CCOc1ccc(CN[C@@H]2CCO[C@H]2c2cccnc2)cc1Cl ZINC000343387931 1030630343 /nfs/dbraw/zinc/63/03/43/1030630343.db2.gz NGEPGNVUYAZSKH-MJGOQNOKSA-N 0 3 344.842 3.920 20 30 EHEDHN COc1ccccc1[C@@H](CNc1nccc(C)c1C#N)N1CCCC1 ZINC000343504765 1031154415 /nfs/dbraw/zinc/15/44/15/1031154415.db2.gz CGNAGCDYQIQLLA-GOSISDBHSA-N 0 3 336.439 3.519 20 30 EHEDHN C#CCOc1ccccc1CN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000179745465 1031769534 /nfs/dbraw/zinc/76/95/34/1031769534.db2.gz WBWGFIJZBRHYGA-UHFFFAOYSA-N 0 3 348.446 3.549 20 30 EHEDHN C=C(C)CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455947041 1033315145 /nfs/dbraw/zinc/31/51/45/1033315145.db2.gz QXBNKTKWTRCHJJ-UHFFFAOYSA-N 0 3 337.851 3.511 20 30 EHEDHN C=CCc1cc(CN2CC[C@@H](Cc3nccs3)C2)cc(OC)c1O ZINC000898072179 1033325135 /nfs/dbraw/zinc/32/51/35/1033325135.db2.gz ZJQRFAPRDRBVIT-AWEZNQCLSA-N 0 3 344.480 3.650 20 30 EHEDHN COc1ccc([C@@H](NC[C@@H](O)CC(C)(C)C#N)c2ccccc2)cc1 ZINC000598625536 1033356182 /nfs/dbraw/zinc/35/61/82/1033356182.db2.gz RIAGFWRFLMEJAV-ICSRJNTNSA-N 0 3 338.451 3.675 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000594431378 1033368335 /nfs/dbraw/zinc/36/83/35/1033368335.db2.gz LIWGYHCDCDWUQR-KRWDZBQOSA-N 0 3 347.890 3.679 20 30 EHEDHN CCN(C(=O)[C@@H](N)CCCCC#N)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000594433312 1033373147 /nfs/dbraw/zinc/37/31/47/1033373147.db2.gz NNXMCOVPZVHCRK-OALUTQOASA-N 0 3 347.478 3.653 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000594447915 1033379379 /nfs/dbraw/zinc/37/93/79/1033379379.db2.gz XNGKJWPGRPQATD-DLBZAZTESA-N 0 3 341.480 3.559 20 30 EHEDHN CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@H](N)CCCCC#N ZINC000594426218 1033387803 /nfs/dbraw/zinc/38/78/03/1033387803.db2.gz CATJLDCVZAOPIW-INIZCTEOSA-N 0 3 339.842 3.629 20 30 EHEDHN CCCN(Cc1c(F)cccc1Cl)C(=O)[C@H](N)CCCCC#N ZINC000594426233 1033390254 /nfs/dbraw/zinc/39/02/54/1033390254.db2.gz CATJLDCVZAOPIW-MRXNPFEDSA-N 0 3 339.842 3.629 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000594468118 1033409585 /nfs/dbraw/zinc/40/95/85/1033409585.db2.gz JCIFZYYUAIXPJR-QGZVFWFLSA-N 0 3 340.452 3.583 20 30 EHEDHN N#Cc1ccc(C2(NCc3ccc(N4CCCC4)nc3)CCC2)cc1 ZINC000594517275 1033424365 /nfs/dbraw/zinc/42/43/65/1033424365.db2.gz AFZBKWAJTYKWKB-UHFFFAOYSA-N 0 3 332.451 3.722 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2cccc(C)c2)CC1 ZINC000106275258 1033565393 /nfs/dbraw/zinc/56/53/93/1033565393.db2.gz KEFRFLZVNKZPRF-FQEVSTJZSA-N 0 3 341.499 3.882 20 30 EHEDHN CCN(Cc1cc(C#N)ccc1F)[C@@H](COC)Cc1ccccc1 ZINC000472347765 1033690065 /nfs/dbraw/zinc/69/00/65/1033690065.db2.gz JDZQKGJBAIGXEH-LJQANCHMSA-N 0 3 326.415 3.777 20 30 EHEDHN Cc1sc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c(C#N)c1C ZINC000593002276 1033793689 /nfs/dbraw/zinc/79/36/89/1033793689.db2.gz AMELYIRUWPQYFT-PWSUYJOCSA-N 0 3 346.374 3.923 20 30 EHEDHN CC[C@H](NCc1cccc(C#N)c1)c1cc(OC)c(OC)c(OC)c1 ZINC000593704803 1033816524 /nfs/dbraw/zinc/81/65/24/1033816524.db2.gz UTXFFWGRPHHAPQ-KRWDZBQOSA-N 0 3 340.423 3.825 20 30 EHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000533301974 1033852912 /nfs/dbraw/zinc/85/29/12/1033852912.db2.gz UTUUOSPEPUFVND-GFCCVEGCSA-N 0 3 325.250 3.674 20 30 EHEDHN Cc1cccc(CC2(O)CCN(Cc3ccc(C)c(C#N)c3)CC2)c1 ZINC000599391398 1033914249 /nfs/dbraw/zinc/91/42/49/1033914249.db2.gz ZSDFSQUABPWESS-UHFFFAOYSA-N 0 3 334.463 3.745 20 30 EHEDHN C[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CCc2ccccc21 ZINC000593095981 1033935814 /nfs/dbraw/zinc/93/58/14/1033935814.db2.gz OWNPDZJXSGKSEN-OAHLLOKOSA-N 0 3 344.418 3.770 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)N(CCN(C)C)Cc2cccs2)c1 ZINC000456016471 1034054827 /nfs/dbraw/zinc/05/48/27/1034054827.db2.gz ZMOGRABEAQRSOG-UHFFFAOYSA-N 0 3 342.468 3.524 20 30 EHEDHN COc1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc(OC)c1C ZINC000647374553 1034069252 /nfs/dbraw/zinc/06/92/52/1034069252.db2.gz GGEMTXNLQJQQSQ-ZDUSSCGKSA-N 0 3 342.420 3.836 20 30 EHEDHN CCn1ncc(C(=O)C(C#N)c2ccc3ccccc3n2)c1C1CC1 ZINC000892427583 1034095076 /nfs/dbraw/zinc/09/50/76/1034095076.db2.gz OSUKLNRPEKTENZ-HNNXBMFYSA-N 0 3 330.391 3.819 20 30 EHEDHN C=CCCOCCNCc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000120795735 1034111061 /nfs/dbraw/zinc/11/10/61/1034111061.db2.gz BHQRRZCIZUEZEV-UHFFFAOYSA-N 0 3 347.890 3.884 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596218879 1034125301 /nfs/dbraw/zinc/12/53/01/1034125301.db2.gz NFAOANLQJLERDN-FZMZJTMJSA-N 0 3 332.860 3.601 20 30 EHEDHN N#Cc1cccc(Cl)c1NCC1CCN(Cc2ccncc2)CC1 ZINC000596440412 1034244086 /nfs/dbraw/zinc/24/40/86/1034244086.db2.gz KEDVXKDXRYMZCI-UHFFFAOYSA-N 0 3 340.858 3.931 20 30 EHEDHN CCC(CC)[C@H](NCc1cnc2c(C#N)cnn2c1)c1cccs1 ZINC000604473796 1034385704 /nfs/dbraw/zinc/38/57/04/1034385704.db2.gz JCKJBYQFMCNPOD-KRWDZBQOSA-N 0 3 339.468 3.930 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000413587325 1034455940 /nfs/dbraw/zinc/45/59/40/1034455940.db2.gz WZKDWUXRTMINFD-RBUKOAKNSA-N 0 3 333.435 3.671 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000597157027 1034569875 /nfs/dbraw/zinc/56/98/75/1034569875.db2.gz DKRJEAKGBTUVFK-IERDGZPVSA-N 0 3 336.435 3.919 20 30 EHEDHN C=CCN1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000171723326 1034590625 /nfs/dbraw/zinc/59/06/25/1034590625.db2.gz LYZYNMNLDAUEQY-UHFFFAOYSA-N 0 3 334.872 3.935 20 30 EHEDHN CC#CCCCC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456797556 1034718698 /nfs/dbraw/zinc/71/86/98/1034718698.db2.gz XJXHYQHLDYBZTR-UHFFFAOYSA-N 0 3 348.874 3.945 20 30 EHEDHN N#CC1(CN(CCCOc2ccccc2)C2CCOCC2)CCC1 ZINC000450779008 1034803879 /nfs/dbraw/zinc/80/38/79/1034803879.db2.gz VMBLJNUUMAHQSO-UHFFFAOYSA-N 0 3 328.456 3.630 20 30 EHEDHN Cc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c(C)c1 ZINC000180062673 1035308702 /nfs/dbraw/zinc/30/87/02/1035308702.db2.gz UFASKMNZZNFSFS-UHFFFAOYSA-N 0 3 330.435 3.865 20 30 EHEDHN Cc1nsc(NC[C@H]2CCCN(Cc3cccs3)C2)c1C#N ZINC000376227493 1035468578 /nfs/dbraw/zinc/46/85/78/1035468578.db2.gz JFDAOOQVWWQYFF-CYBMUJFWSA-N 0 3 332.498 3.709 20 30 EHEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000185636741 1035507042 /nfs/dbraw/zinc/50/70/42/1035507042.db2.gz IKXTZGYDAWDVQE-SJLPKXTDSA-N 0 3 327.472 3.671 20 30 EHEDHN CCN(CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCOC1 ZINC000463449771 1035517479 /nfs/dbraw/zinc/51/74/79/1035517479.db2.gz QUUXRCDNLDKWJJ-OAQYLSRUSA-N 0 3 334.463 3.997 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000613351925 1035633811 /nfs/dbraw/zinc/63/38/11/1035633811.db2.gz ZVGMNWSFHZRGDO-HXUWFJFHSA-N 0 3 349.478 3.702 20 30 EHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NC(C)(C)CN1CCCC1 ZINC000457055334 1035688380 /nfs/dbraw/zinc/68/83/80/1035688380.db2.gz BVQVCRLVXSFPQX-UHFFFAOYSA-N 0 3 341.480 3.686 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2cccc([C@@H]3CCCOC3)c2)n1 ZINC000535042642 1035925877 /nfs/dbraw/zinc/92/58/77/1035925877.db2.gz VSYFVJWXDUBFBD-CVEARBPZSA-N 0 3 326.421 3.836 20 30 EHEDHN CCN(C(=O)CCCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000588679474 1035970907 /nfs/dbraw/zinc/97/09/07/1035970907.db2.gz VCQNWIUSHDGYDC-IBGZPJMESA-N 0 3 327.472 3.583 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3ccc(C)cc3)C2)CC1 ZINC000541326269 1036201036 /nfs/dbraw/zinc/20/10/36/1036201036.db2.gz VYXDXZWMGMOBCP-IBGZPJMESA-N 0 3 341.499 3.534 20 30 EHEDHN N#CC(C(=O)c1cccc(-n2cccc2)c1)c1cnc2ccccc2n1 ZINC000190980685 1036314624 /nfs/dbraw/zinc/31/46/24/1036314624.db2.gz KWIHAWDQQHUGMU-QGZVFWFLSA-N 0 3 338.370 3.911 20 30 EHEDHN Cn1ccnc1C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000589340522 1036351142 /nfs/dbraw/zinc/35/11/42/1036351142.db2.gz IHVXAPFBTFPUBQ-SFTDATJTSA-N 0 3 342.446 3.853 20 30 EHEDHN Cc1cc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)s1 ZINC000541870506 1036739674 /nfs/dbraw/zinc/73/96/74/1036739674.db2.gz LODGIKREVQOWNS-GOSISDBHSA-N 0 3 339.464 3.522 20 30 EHEDHN CCC(CC)Nc1ccncc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000590556924 1036938267 /nfs/dbraw/zinc/93/82/67/1036938267.db2.gz SLASJPBRESFQQP-UHFFFAOYSA-N 0 3 348.450 3.911 20 30 EHEDHN CC[C@H](c1ccc(F)cc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428789757 1036949832 /nfs/dbraw/zinc/94/98/32/1036949832.db2.gz PDMVRRMQXGXQHT-QZTJIDSGSA-N 0 3 325.387 3.697 20 30 EHEDHN CCCC(C)(C)N(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccs1 ZINC000549077931 1037040255 /nfs/dbraw/zinc/04/02/55/1037040255.db2.gz JRJVGDCJCVMEPM-IBGZPJMESA-N 0 3 347.528 3.937 20 30 EHEDHN C#C[C@H](NC1CCC(c2nc(CC)no2)CC1)c1ccc(F)cc1 ZINC000491278173 1037074687 /nfs/dbraw/zinc/07/46/87/1037074687.db2.gz ROKZEVIUBVQONC-PREGVCBESA-N 0 3 327.403 3.761 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CC#Cc1ccc(F)cc1 ZINC001168193618 1037190212 /nfs/dbraw/zinc/19/02/12/1037190212.db2.gz SGNZZGILUITHGU-OALUTQOASA-N 0 3 336.454 3.772 20 30 EHEDHN C=C(C)COc1cc(CNC[C@H](O)c2ccccc2F)ccc1OC ZINC000057966045 1037322982 /nfs/dbraw/zinc/32/29/82/1037322982.db2.gz RTSXMUZPVBBEBL-SFHVURJKSA-N 0 3 345.414 3.612 20 30 EHEDHN CCN(CCC1CC1)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000760882511 1037550689 /nfs/dbraw/zinc/55/06/89/1037550689.db2.gz XVJGXUYWYTUKJL-UHFFFAOYSA-N 0 3 327.472 3.672 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H]3CCCC[C@@H]3C2)c1C ZINC000177513975 1037568036 /nfs/dbraw/zinc/56/80/36/1037568036.db2.gz WGXWLIOVOBGAJL-RTBURBONSA-N 0 3 339.483 3.672 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC000592302179 1037913212 /nfs/dbraw/zinc/91/32/12/1037913212.db2.gz ALCGBVKTCFWXSA-FQEVSTJZSA-N 0 3 341.499 3.882 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058451819 1037919507 /nfs/dbraw/zinc/91/95/07/1037919507.db2.gz ZLNVDENZLOTQPV-LPHOPBHVSA-N 0 3 348.450 3.824 20 30 EHEDHN CC1CCC(OC2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000378147470 1038050035 /nfs/dbraw/zinc/05/00/35/1038050035.db2.gz WUYRRQCOCDBODH-IOYBJCICSA-N 0 3 342.483 3.651 20 30 EHEDHN C[C@@H](NC[C@H](c1c(F)cccc1F)N(C)C)c1ccc(C#N)c(F)c1 ZINC000538506874 1038346383 /nfs/dbraw/zinc/34/63/83/1038346383.db2.gz IFYKMNMZNAYPCU-KZULUSFZSA-N 0 3 347.384 3.929 20 30 EHEDHN COc1ccc(C#N)cc1CN[C@H](c1ccccc1)C1CCOCC1 ZINC000378457877 1038639146 /nfs/dbraw/zinc/63/91/46/1038639146.db2.gz DELIIFLUQGEPII-OAQYLSRUSA-N 0 3 336.435 3.824 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1cccs1 ZINC000539278017 1038752530 /nfs/dbraw/zinc/75/25/30/1038752530.db2.gz ZTVYOHVCACACHY-KDOFPFPSSA-N 0 3 335.517 3.823 20 30 EHEDHN Cc1ccc2c(c1)[C@H](N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000485341987 1038943762 /nfs/dbraw/zinc/94/37/62/1038943762.db2.gz BRODIWBEYJDULS-RTWAWAEBSA-N 0 3 345.446 3.639 20 30 EHEDHN Cc1cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)ccc1C#N ZINC000488256838 1039012738 /nfs/dbraw/zinc/01/27/38/1039012738.db2.gz PYWOFCHZEYVKLR-UHFFFAOYSA-N 0 3 348.372 3.919 20 30 EHEDHN N#CC(C(=O)CCSc1ccccc1F)C(=O)Nc1ccccc1 ZINC000128137923 1039171860 /nfs/dbraw/zinc/17/18/60/1039171860.db2.gz GNXVHAZDKZGEOA-AWEZNQCLSA-N 0 3 342.395 3.655 20 30 EHEDHN Cc1ccccc1[C@@H](C(C)C)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000488772946 1039394616 /nfs/dbraw/zinc/39/46/16/1039394616.db2.gz XVCQXFVHJDUZNP-JOCHJYFZSA-N 0 3 349.478 3.812 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000911993902 1039625452 /nfs/dbraw/zinc/62/54/52/1039625452.db2.gz WSYIICCOBQYYCY-INIZCTEOSA-N 0 3 349.475 3.670 20 30 EHEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000912102334 1039686176 /nfs/dbraw/zinc/68/61/76/1039686176.db2.gz KCMOPOHWMFKAAC-NVXWUHKLSA-N 0 3 332.444 3.776 20 30 EHEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCC(=O)N2 ZINC000417370298 1039742047 /nfs/dbraw/zinc/74/20/47/1039742047.db2.gz SGHGQPQELYJFCE-ACJLOTCBSA-N 0 3 347.418 3.617 20 30 EHEDHN Fc1cc(CNCCOCC(F)(F)C(F)F)ccc1C(F)F ZINC000894047439 1040007114 /nfs/dbraw/zinc/00/71/14/1040007114.db2.gz VGHUKSCWIRRGOU-UHFFFAOYSA-N 0 3 333.247 3.770 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)c(C(F)(F)F)c1 ZINC000573500334 1040131099 /nfs/dbraw/zinc/13/10/99/1040131099.db2.gz QXSMXYVYGMQKFU-HOCLYGCPSA-N 0 3 338.373 3.826 20 30 EHEDHN C=CCC(C)(C)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000490059681 1040327899 /nfs/dbraw/zinc/32/78/99/1040327899.db2.gz OHDUPZUCQBETSY-QGZVFWFLSA-N 0 3 332.463 3.756 20 30 EHEDHN C=CCN(C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000154758594 1040453026 /nfs/dbraw/zinc/45/30/26/1040453026.db2.gz CFQWYBDTPVSWJW-UHFFFAOYSA-N 0 3 342.395 3.800 20 30 EHEDHN Cn1ncc(CN[C@@H](CCCC#N)c2ccccc2)c1C(F)(F)F ZINC000433034515 1040496566 /nfs/dbraw/zinc/49/65/66/1040496566.db2.gz IITDFCYAFLTGRA-HNNXBMFYSA-N 0 3 336.361 3.964 20 30 EHEDHN C[C@@H]1CCC[C@H](NC(=O)CN[C@H](CCCC#N)c2ccccc2)[C@H]1C ZINC000433029606 1040505635 /nfs/dbraw/zinc/50/56/35/1040505635.db2.gz HCCOFVOYYGPVCL-LCLWPZTBSA-N 0 3 341.499 3.952 20 30 EHEDHN Cc1cccc(CNC(=O)CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433040988 1040529570 /nfs/dbraw/zinc/52/95/70/1040529570.db2.gz UIRFIMMMZXPRES-HXUWFJFHSA-N 0 3 335.451 3.636 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc([S@](C)=O)cc2)cc1Cl ZINC000080344768 1040958158 /nfs/dbraw/zinc/95/81/58/1040958158.db2.gz YWSMSOHZACOZRB-HSZRJFAPSA-N 0 3 349.883 3.932 20 30 EHEDHN CC(C)c1ccccc1OC[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000046835934 1040984967 /nfs/dbraw/zinc/98/49/67/1040984967.db2.gz HDOKUDKUDFUPID-LJQANCHMSA-N 0 3 338.451 3.553 20 30 EHEDHN C=CCN(Cc1cccc(OCc2ccccn2)c1)[C@H](C)COC ZINC000661238891 1042026419 /nfs/dbraw/zinc/02/64/19/1042026419.db2.gz HBDYNLKVSIBBCU-QGZVFWFLSA-N 0 3 326.440 3.684 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](CCF)C1 ZINC000661692493 1042233375 /nfs/dbraw/zinc/23/33/75/1042233375.db2.gz OEHWMURGFNEVTA-HOTGVXAUSA-N 0 3 338.492 3.723 20 30 EHEDHN CC1(C)CC[C@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc21 ZINC000093899861 1042588200 /nfs/dbraw/zinc/58/82/00/1042588200.db2.gz FGGRRKSPKQCFKA-XLIONFOSSA-N 0 3 347.462 3.529 20 30 EHEDHN COC(=O)c1coc([C@@H](C)NCCSCc2ccccc2C#N)c1 ZINC000278906537 1042901789 /nfs/dbraw/zinc/90/17/89/1042901789.db2.gz ZTTHUVUDGZDCJK-CYBMUJFWSA-N 0 3 344.436 3.522 20 30 EHEDHN C=CCN(CCc1ccccc1)Cc1ccc(OC)c(OC)c1OC ZINC000512036737 1043019812 /nfs/dbraw/zinc/01/98/12/1043019812.db2.gz LJHSHGZHUOOVMT-UHFFFAOYSA-N 0 3 341.451 3.943 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H](C)CC(C)(C)C1 ZINC000344023668 1043115149 /nfs/dbraw/zinc/11/51/49/1043115149.db2.gz BDCHOLPOSHFMAE-IAGOWNOFSA-N 0 3 327.472 3.690 20 30 EHEDHN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1CC=CCC1 ZINC000344071332 1043208792 /nfs/dbraw/zinc/20/87/92/1043208792.db2.gz RXSBFUADLKETPT-MRXNPFEDSA-N 0 3 345.874 3.875 20 30 EHEDHN C=C(C)CN(CCCc1cccc(OC)c1)Cc1ccc(CO)o1 ZINC000512215498 1044191804 /nfs/dbraw/zinc/19/18/04/1044191804.db2.gz WHMINRFFNOZJJG-UHFFFAOYSA-N 0 3 329.440 3.791 20 30 EHEDHN C#CCC(C)(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000184994238 1126732263 /nfs/dbraw/zinc/73/22/63/1126732263.db2.gz AZGPWKQEFGPMHG-INIZCTEOSA-N 0 3 332.513 3.687 20 30 EHEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000173971896 1126844408 /nfs/dbraw/zinc/84/44/08/1126844408.db2.gz LEWPYEDQVRQLFS-ROUUACIJSA-N 0 3 335.451 3.981 20 30 EHEDHN COc1ccc(CN[C@H](C)c2cccc(-n3cccn3)c2)cc1C#N ZINC000072925080 1126935461 /nfs/dbraw/zinc/93/54/61/1126935461.db2.gz NTFISELSWVZIMM-OAHLLOKOSA-N 0 3 332.407 3.603 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000179347286 1127058320 /nfs/dbraw/zinc/05/83/20/1127058320.db2.gz BNZUGCGUXLLHPV-JXFKEZNVSA-N 0 3 341.499 3.650 20 30 EHEDHN CN1CCCc2cc(C=NNCc3cnc4ccccc4c3)ccc21 ZINC000764777522 1127533189 /nfs/dbraw/zinc/53/31/89/1127533189.db2.gz CVSWERYNJGLXHG-UHFFFAOYSA-N 0 3 330.435 3.741 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(OCC(F)(F)F)nc1 ZINC000921526563 1127667458 /nfs/dbraw/zinc/66/74/58/1127667458.db2.gz FOADGOJKNFWRMS-UHFFFAOYSA-N 0 3 349.356 3.801 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)[C@H](C)CC)CC1 ZINC000172135072 1127774510 /nfs/dbraw/zinc/77/45/10/1127774510.db2.gz CDUVDJQBGLVJDP-QGZVFWFLSA-N 0 3 329.488 3.647 20 30 EHEDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1Cl ZINC000338587322 1127867374 /nfs/dbraw/zinc/86/73/74/1127867374.db2.gz JNTQRYLTPPFFKT-ALOPSCKCSA-N 0 3 340.858 3.856 20 30 EHEDHN COc1cc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000282214193 1128087494 /nfs/dbraw/zinc/08/74/94/1128087494.db2.gz HNVLOPBDFQTPJY-DLBZAZTESA-N 0 3 342.464 3.716 20 30 EHEDHN COc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)cc(OC)c1O ZINC000347600788 1128132253 /nfs/dbraw/zinc/13/22/53/1128132253.db2.gz BFCDFOFGYDRUOA-UHFFFAOYSA-N 0 3 340.423 3.692 20 30 EHEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000734506242 1131243117 /nfs/dbraw/zinc/24/31/17/1131243117.db2.gz MSAGWTBLHUXRDS-KURKYZTESA-N 0 3 327.472 3.527 20 30 EHEDHN COc1ccc([C@H](CNc2ccc(F)cc2C#N)N2CCCC2)cc1 ZINC000301373806 1128588319 /nfs/dbraw/zinc/58/83/19/1128588319.db2.gz UTDZHAUCFSEOLH-FQEVSTJZSA-N 0 3 339.414 3.955 20 30 EHEDHN COc1ccccc1[C@H](CNc1ccc(C#N)cc1F)N1CCCC1 ZINC000301520566 1128595087 /nfs/dbraw/zinc/59/50/87/1128595087.db2.gz LBTPTKHFROHIBV-IBGZPJMESA-N 0 3 339.414 3.955 20 30 EHEDHN CN1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)[C@H]1c1ccccc1 ZINC000301829275 1128607599 /nfs/dbraw/zinc/60/75/99/1128607599.db2.gz GTXOJTDYDOTJDA-GDBMZVCRSA-N 0 3 346.356 3.829 20 30 EHEDHN CCN1CCN(c2ccc(Nc3c(C#N)cccc3C#N)c(C)c2)CC1 ZINC000302857470 1128651586 /nfs/dbraw/zinc/65/15/86/1128651586.db2.gz SNVHDKZGCOHKNQ-UHFFFAOYSA-N 0 3 345.450 3.624 20 30 EHEDHN N#CCC1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000542877763 1128719896 /nfs/dbraw/zinc/71/98/96/1128719896.db2.gz BJFFWKRCFLUINE-UHFFFAOYSA-N 0 3 334.847 3.669 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921744556 1128720054 /nfs/dbraw/zinc/72/00/54/1128720054.db2.gz VSSQMZAEYRBYRB-IBGZPJMESA-N 0 3 336.435 3.982 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@](C)(O)c2cccs2)c([O-])c1 ZINC000265737192 1128730474 /nfs/dbraw/zinc/73/04/74/1128730474.db2.gz ZKIAPDQZCKAPHZ-LPGQDOADSA-N 0 3 332.469 3.627 20 30 EHEDHN N#Cc1cc(F)c(NC2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000109809604 1120126442 /nfs/dbraw/zinc/12/64/42/1120126442.db2.gz AETLGCDYXOGFBF-UHFFFAOYSA-N 0 3 327.378 3.913 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000494404644 1120551028 /nfs/dbraw/zinc/55/10/28/1120551028.db2.gz KMVWZUYVVCDNFW-QXAKKESOSA-N 0 3 327.472 3.572 20 30 EHEDHN N#C[C@@H]1CCC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000494446811 1120560704 /nfs/dbraw/zinc/56/07/04/1120560704.db2.gz PCNAQXSGDAFCAT-MFKMUULPSA-N 0 3 327.306 3.786 20 30 EHEDHN N#Cc1cc2c(nc1N[C@@H]1CCCN(Cc3ccccc3)C1)CCC2 ZINC000310468796 1128945580 /nfs/dbraw/zinc/94/55/80/1128945580.db2.gz LDUFMLOXFXPHQC-LJQANCHMSA-N 0 3 332.451 3.518 20 30 EHEDHN C=CCN1CCC(NC(=O)c2sccc2-c2ccccc2)CC1 ZINC000171723105 1121514138 /nfs/dbraw/zinc/51/41/38/1121514138.db2.gz IMOKBHIIJLGMDC-UHFFFAOYSA-N 0 3 326.465 3.795 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(O[C@H](C)CC)cc2)CC1 ZINC000171738470 1121661629 /nfs/dbraw/zinc/66/16/29/1121661629.db2.gz ZXRRLLMUKFRARU-OAHLLOKOSA-N 0 3 331.460 3.636 20 30 EHEDHN Cc1ccc(CN(C)CC(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000916641972 1122237095 /nfs/dbraw/zinc/23/70/95/1122237095.db2.gz MGFSXYSCXRDMQN-MRXNPFEDSA-N 0 3 349.459 3.913 20 30 EHEDHN Cc1ccc(OCCCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000916898457 1122381952 /nfs/dbraw/zinc/38/19/52/1122381952.db2.gz DGTDEJKTXFQIKD-SFHVURJKSA-N 0 3 336.391 3.502 20 30 EHEDHN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000916938321 1122395636 /nfs/dbraw/zinc/39/56/36/1122395636.db2.gz KEAPJBTVTVNBAO-SECBINFHSA-N 0 3 332.709 3.562 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1cccs1 ZINC000917011814 1122438989 /nfs/dbraw/zinc/43/89/89/1122438989.db2.gz YPZCDCCKASSYKL-ZDUSSCGKSA-N 0 3 341.461 3.666 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(F)cc2C)CC1 ZINC000917098256 1122492550 /nfs/dbraw/zinc/49/25/50/1122492550.db2.gz UMGSRWQLNMDXEC-OAHLLOKOSA-N 0 3 333.451 3.535 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(c2cccc(OC)c2)CC1 ZINC000498669892 1123012402 /nfs/dbraw/zinc/01/24/02/1123012402.db2.gz IAYDHQKBDSTYBV-QGZVFWFLSA-N 0 3 344.499 3.688 20 30 EHEDHN C=C(C)COCCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000134502112 1123528348 /nfs/dbraw/zinc/52/83/48/1123528348.db2.gz IBGKWCOPVYWLRZ-KRWDZBQOSA-N 0 3 339.863 3.580 20 30 EHEDHN C#CCOc1ccccc1CNCCc1coc(-c2ccc(C)cc2)n1 ZINC000237781447 1123858635 /nfs/dbraw/zinc/85/86/35/1123858635.db2.gz KAUMLEPSWTVMNB-UHFFFAOYSA-N 0 3 346.430 3.994 20 30 EHEDHN C#CCCCCCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000780596482 1123924865 /nfs/dbraw/zinc/92/48/65/1123924865.db2.gz LIWGCGZQVQGEMA-LJQANCHMSA-N 0 3 326.484 3.693 20 30 EHEDHN C#CCCCCCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000780596481 1123924937 /nfs/dbraw/zinc/92/49/37/1123924937.db2.gz LIWGCGZQVQGEMA-IBGZPJMESA-N 0 3 326.484 3.693 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000245937801 1123985097 /nfs/dbraw/zinc/98/50/97/1123985097.db2.gz UHVVWNMQPNYPFV-SKSLQVBQSA-N 0 3 347.890 3.681 20 30 EHEDHN COc1ccc(CNCc2cccc(C#N)c2)cc1Br ZINC000037748875 1124024655 /nfs/dbraw/zinc/02/46/55/1124024655.db2.gz UKJQSWXWFXMXIU-UHFFFAOYSA-N 0 3 331.213 3.619 20 30 EHEDHN C=CCC1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCCC1 ZINC000617974457 1124881732 /nfs/dbraw/zinc/88/17/32/1124881732.db2.gz MRXLQILTFYQRNE-UHFFFAOYSA-N 0 3 341.499 3.546 20 30 EHEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)n1cccc1 ZINC000735206481 1131317682 /nfs/dbraw/zinc/31/76/82/1131317682.db2.gz LAXHDHUCMBOXJE-WCQYABFASA-N 0 3 347.777 3.579 20 30 EHEDHN N#Cc1ccccc1COc1cccc(CN2CC([C@@H]3CCOC3)C2)c1 ZINC000619432213 1125349085 /nfs/dbraw/zinc/34/90/85/1125349085.db2.gz LAFGGENKXKSGKH-HXUWFJFHSA-N 0 3 348.446 3.606 20 30 EHEDHN N#Cc1ccc(F)c(CN2CCN(c3ccnc4ccccc43)CC2)c1 ZINC000347691795 1129219784 /nfs/dbraw/zinc/21/97/84/1129219784.db2.gz NTWKONYIUTYMTO-UHFFFAOYSA-N 0 3 346.409 3.568 20 30 EHEDHN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000499718199 1129406476 /nfs/dbraw/zinc/40/64/76/1129406476.db2.gz FFPXAUYIBFSIHP-HNNXBMFYSA-N 0 3 333.435 3.726 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000466391429 1129416810 /nfs/dbraw/zinc/41/68/10/1129416810.db2.gz LCRJJFOUGODSPL-QGZVFWFLSA-N 0 3 337.895 3.768 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(C2(C)OCCO2)cc1 ZINC000922298639 1129447441 /nfs/dbraw/zinc/44/74/41/1129447441.db2.gz JRBPFOMKCRRNGG-UHFFFAOYSA-N 0 3 336.435 3.684 20 30 EHEDHN N#Cc1ccc(CNC[C@H](c2cccc(Cl)c2)N2CCCC2)o1 ZINC000174266343 1130346058 /nfs/dbraw/zinc/34/60/58/1130346058.db2.gz COQVTMXOWCHWDC-GOSISDBHSA-N 0 3 329.831 3.731 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(cccc3F)s2)CC1 ZINC000729975078 1130661763 /nfs/dbraw/zinc/66/17/63/1130661763.db2.gz HYUYEKSUYRSLEP-UHFFFAOYSA-N 0 3 332.444 3.811 20 30 EHEDHN CN(CCOc1cccc(Cl)c1)Cc1ccc(OCC#N)cc1 ZINC000731210187 1130776727 /nfs/dbraw/zinc/77/67/27/1130776727.db2.gz BNSSHKLMEQRMKG-UHFFFAOYSA-N 0 3 330.815 3.753 20 30 EHEDHN C[C@@H](CCCC#N)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001172499110 1131760013 /nfs/dbraw/zinc/76/00/13/1131760013.db2.gz VARUBOYETQCPHD-HNNXBMFYSA-N 0 3 333.863 3.570 20 30 EHEDHN CCCCCCC[C@@H](CCC)n1nc(C(=O)N(C)C)c2c1CCNC2 ZINC001172512093 1131764612 /nfs/dbraw/zinc/76/46/12/1131764612.db2.gz YSSDLXYPARMDED-MRXNPFEDSA-N 0 3 348.535 3.932 20 30 EHEDHN CCCC[C@@H]1C[C@@H](NCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001172628252 1131794582 /nfs/dbraw/zinc/79/45/82/1131794582.db2.gz UIXDGOOUEZHFEI-JKSUJKDBSA-N 0 3 335.492 3.838 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cc(C#N)ccc2F)c([O-])c1 ZINC000743042314 1131841636 /nfs/dbraw/zinc/84/16/36/1131841636.db2.gz IYNOZKBFRABBRE-UUYOSTAYSA-N 0 3 325.387 3.868 20 30 EHEDHN CCN1CCN(c2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2)CC1 ZINC000743463130 1131926432 /nfs/dbraw/zinc/92/64/32/1131926432.db2.gz RBLMVRAGHQZZNB-KRWDZBQOSA-N 0 3 334.467 3.873 20 30 EHEDHN COc1cccc2c1C[C@@H](N1CCC(c3cccc(C#N)c3)CC1)CO2 ZINC001173162426 1131990136 /nfs/dbraw/zinc/99/01/36/1131990136.db2.gz VTLZZBBTCIQFCY-LJQANCHMSA-N 0 3 348.446 3.750 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H](C)c1ccco1 ZINC000744029905 1132006734 /nfs/dbraw/zinc/00/67/34/1132006734.db2.gz WVHFTLRZBLWSTN-XJKSGUPXSA-N 0 3 338.407 3.855 20 30 EHEDHN CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC(CC#N)CC1 ZINC001173338270 1132054353 /nfs/dbraw/zinc/05/43/53/1132054353.db2.gz CFBLSXWLTPZLOZ-AQFXKWCLSA-N 0 3 335.492 3.790 20 30 EHEDHN CC1(C#N)CCC(NCC(=O)c2ccc(Br)cc2)CC1 ZINC001173587858 1132095956 /nfs/dbraw/zinc/09/59/56/1132095956.db2.gz FKRWHHANLHTULV-UHFFFAOYSA-N 0 3 335.245 3.694 20 30 EHEDHN CC(=O)N1CC[C@H](N(Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)C1 ZINC001169560616 1132785899 /nfs/dbraw/zinc/78/58/99/1132785899.db2.gz OWEATZNIMAOPBK-VGSWGCGISA-N 0 3 347.462 3.742 20 30 EHEDHN N#Cc1c(-c2ccccc2)ccnc1N1CCCc2ccc(CN)nc21 ZINC001169583048 1132797214 /nfs/dbraw/zinc/79/72/14/1132797214.db2.gz BQSKTXSBODDRFS-UHFFFAOYSA-N 0 3 341.418 3.558 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNc1cccc(CN2CCN(C)CC2)c1 ZINC001177464995 1133066048 /nfs/dbraw/zinc/06/60/48/1133066048.db2.gz ZGPACUSBDLIEKM-UHFFFAOYSA-N 0 3 348.494 3.535 20 30 EHEDHN Cc1ccc2nc(NC(=O)C(C#N)Cc3cccs3)sc2c1 ZINC001177902807 1133110980 /nfs/dbraw/zinc/11/09/80/1133110980.db2.gz BDSDXOCTLOAJEE-LLVKDONJSA-N 0 3 327.434 3.987 20 30 EHEDHN C=CCN(C)CCN(CC)C(=O)c1c(Cl)cc(F)cc1Cl ZINC001156672506 1133183493 /nfs/dbraw/zinc/18/34/93/1133183493.db2.gz RDABMQKQZLLJKQ-UHFFFAOYSA-N 0 3 333.234 3.712 20 30 EHEDHN CN(Cc1cc(C#N)cs1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000769568377 1133316015 /nfs/dbraw/zinc/31/60/15/1133316015.db2.gz YVJRWTVCQXMYBC-UHFFFAOYSA-N 0 3 337.489 3.602 20 30 EHEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1csc(C#N)c1 ZINC001180220042 1133346035 /nfs/dbraw/zinc/34/60/35/1133346035.db2.gz YKDBYMZIVDFCMK-INIZCTEOSA-N 0 3 336.464 3.943 20 30 EHEDHN C#CCOc1ccc(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC000770333030 1133406546 /nfs/dbraw/zinc/40/65/46/1133406546.db2.gz VOMCUIANRBRUKT-GOSISDBHSA-N 0 3 343.467 3.642 20 30 EHEDHN CC[C@H]1CN(Cc2cccc(F)c2C#N)CCN1Cc1ccccc1 ZINC001180686549 1133406980 /nfs/dbraw/zinc/40/69/80/1133406980.db2.gz HFLNTYWPWWHYPZ-IBGZPJMESA-N 0 3 337.442 3.794 20 30 EHEDHN C=CCOc1ccc(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001204300198 1133501197 /nfs/dbraw/zinc/50/11/97/1133501197.db2.gz MWOGPCRCTNSDRN-QGZVFWFLSA-N 0 3 331.456 3.805 20 30 EHEDHN CC[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000774265724 1133650088 /nfs/dbraw/zinc/65/00/88/1133650088.db2.gz GVOYCHXUMPLLJM-LEWJYISDSA-N 0 3 347.462 3.790 20 30 EHEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NN[C@@H](CO)c1ccccc1 ZINC000788457303 1134126982 /nfs/dbraw/zinc/12/69/82/1134126982.db2.gz JGFBKRQTTDQQAJ-GEAJPYRNSA-N 0 3 335.451 3.607 20 30 EHEDHN CCc1cc(NC(=O)c2ccc(CN(C)C)cc2)cc(CC)c1C#N ZINC001187295061 1134323284 /nfs/dbraw/zinc/32/32/84/1134323284.db2.gz MMGJEPWBJKWWNF-UHFFFAOYSA-N 0 3 335.451 3.997 20 30 EHEDHN COc1ccc(C(C)N=Nc2ncccc2C)cc1CN1CCCC1 ZINC000790186710 1134379413 /nfs/dbraw/zinc/37/94/13/1134379413.db2.gz PNXSUXYKNDFBGY-UHFFFAOYSA-N 0 3 338.455 3.831 20 30 EHEDHN CCCCCCCCS(=O)(=O)Nc1ccnc(N2CCCC2)c1 ZINC001187994632 1134410625 /nfs/dbraw/zinc/41/06/25/1134410625.db2.gz PXNPWMMZPIARHK-UHFFFAOYSA-N 0 3 339.505 3.784 20 30 EHEDHN COCCN(Cn1ccc(-c2ccc(C#N)cc2)n1)[C@@H]1CC[C@@H](C)C1 ZINC000790475615 1134422720 /nfs/dbraw/zinc/42/27/20/1134422720.db2.gz BLNGZTJTOWXNFD-VQIMIIECSA-N 0 3 338.455 3.516 20 30 EHEDHN CCCCOc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001189296903 1134563070 /nfs/dbraw/zinc/56/30/70/1134563070.db2.gz RDBDWJPAPGOCBT-INIZCTEOSA-N 0 3 346.452 3.672 20 30 EHEDHN CO[C@](C)(C(=O)C(C#N)c1nccc2ccccc21)c1ccccc1 ZINC000792103460 1134650156 /nfs/dbraw/zinc/65/01/56/1134650156.db2.gz RXGPCFJMRDIDSQ-NQIIRXRSSA-N 0 3 330.387 3.973 20 30 EHEDHN Cc1nccn1-c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000775374489 1134683537 /nfs/dbraw/zinc/68/35/37/1134683537.db2.gz CYMWKLCOMRXGQJ-HXUWFJFHSA-N 0 3 343.434 3.615 20 30 EHEDHN CCOC1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCCC1 ZINC000793123486 1134852154 /nfs/dbraw/zinc/85/21/54/1134852154.db2.gz XMJACLZMEBCGOE-GFCCVEGCSA-N 0 3 347.365 3.957 20 30 EHEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000793548754 1134954337 /nfs/dbraw/zinc/95/43/37/1134954337.db2.gz ADQDKPQSLFCBLN-GOSISDBHSA-N 0 3 337.529 3.872 20 30 EHEDHN C#C[C@H](NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)c1ccc(Cl)cc1F ZINC000804420406 1135064084 /nfs/dbraw/zinc/06/40/84/1135064084.db2.gz HIEOALBEYYYPEP-ZHRONYKTSA-N 0 3 336.838 3.531 20 30 EHEDHN CCCCC[C@H](NCc1cc(=O)n2ncc(C#N)c2[nH]1)c1ccccc1 ZINC001192901117 1135070692 /nfs/dbraw/zinc/07/06/92/1135070692.db2.gz IQMPCNYVMUYSNI-SFHVURJKSA-N 0 3 349.438 3.718 20 30 EHEDHN C#CCOc1ccccc1OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805877766 1135343632 /nfs/dbraw/zinc/34/36/32/1135343632.db2.gz SAVVXFNSGVEHST-UHFFFAOYSA-N 0 3 335.403 3.514 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806173581 1135398252 /nfs/dbraw/zinc/39/82/52/1135398252.db2.gz YJISUTYBOVCRCI-KKSFZXQISA-N 0 3 340.442 3.791 20 30 EHEDHN C=CCCCCCCN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000806620494 1135472336 /nfs/dbraw/zinc/47/23/36/1135472336.db2.gz XZYRNNDVNAMSOW-OAHLLOKOSA-N 0 3 339.277 3.702 20 30 EHEDHN C#CCC1(NCC(=O)Nc2nc3ccc(C)cc3s2)CCCCC1 ZINC001198084420 1135770766 /nfs/dbraw/zinc/77/07/66/1135770766.db2.gz HXSDNLWGSVZARU-UHFFFAOYSA-N 0 3 341.480 3.859 20 30 EHEDHN N#Cc1ccc(C2CCN(CCOC(=O)Cc3ccccc3)CC2)cc1 ZINC001198211263 1135785369 /nfs/dbraw/zinc/78/53/69/1135785369.db2.gz SRDDPFRBDCQOLD-UHFFFAOYSA-N 0 3 348.446 3.524 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(OC)c(O[C@@H](C#N)CC)c2)cc1 ZINC000809619779 1135858847 /nfs/dbraw/zinc/85/88/47/1135858847.db2.gz XNEGNLDURQSVNL-LJQANCHMSA-N 0 3 334.419 3.647 20 30 EHEDHN C#C[C@H](CC)NCc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000809686187 1135871722 /nfs/dbraw/zinc/87/17/22/1135871722.db2.gz YQGSMAUFQXWFQI-GOSISDBHSA-N 0 3 339.435 3.784 20 30 EHEDHN C#C[C@@H](NCc1ccc(OCC(F)(F)F)c(OC)c1)C(C)(C)C ZINC000809780939 1135890473 /nfs/dbraw/zinc/89/04/73/1135890473.db2.gz AZMUFAKFFSTJAE-OAHLLOKOSA-N 0 3 329.362 3.774 20 30 EHEDHN CCCc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001201963766 1136079215 /nfs/dbraw/zinc/07/92/15/1136079215.db2.gz VNJHUWSIRQTKJQ-OAQYLSRUSA-N 0 3 347.462 3.796 20 30 EHEDHN C#CCOc1ccccc1CNC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000107713411 1136176549 /nfs/dbraw/zinc/17/65/49/1136176549.db2.gz JGJWCIPHIOYJGY-KRWDZBQOSA-N 0 3 349.352 3.541 20 30 EHEDHN C#C[C@H](N[C@H](C)c1ccc2cc(OC)c(OC)cc2c1)[C@@H]1CCCO1 ZINC000850461299 1136263443 /nfs/dbraw/zinc/26/34/43/1136263443.db2.gz HYHFBJMOYKPBGY-CCKFTAQKSA-N 0 3 339.435 3.688 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCC(C2CC2)CC1 ZINC000850978592 1136324513 /nfs/dbraw/zinc/32/45/13/1136324513.db2.gz WBEUZIOHNVRQNM-CTWPCTMYSA-N 0 3 338.451 3.570 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC3(C#N)CC3)C2)CC1 ZINC000852300576 1136446785 /nfs/dbraw/zinc/44/67/85/1136446785.db2.gz JZBJZZHDPJIRQF-QGZVFWFLSA-N 0 3 347.503 3.649 20 30 EHEDHN CC1(C)Cc2c(cnn2-c2ccccc2)CN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000854062006 1136584767 /nfs/dbraw/zinc/58/47/67/1136584767.db2.gz ROHPWKSMIDKIFW-VQIMIIECSA-N 0 3 334.467 3.949 20 30 EHEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC001135450032 1136687121 /nfs/dbraw/zinc/68/71/21/1136687121.db2.gz BKVKSEYESARRTM-LPHOPBHVSA-N 0 3 330.472 3.551 20 30 EHEDHN C=CC1(CC(=O)NC[C@H](Cc2ccccc2)N(C)C)CCCCC1 ZINC001135923987 1136814754 /nfs/dbraw/zinc/81/47/54/1136814754.db2.gz KSAQPHFPXAXUHY-IBGZPJMESA-N 0 3 328.500 3.802 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000857235577 1136855951 /nfs/dbraw/zinc/85/59/51/1136855951.db2.gz AMEUJCPLQFLUNZ-MFKMUULPSA-N 0 3 343.254 3.707 20 30 EHEDHN C#CCN(C)CCCNC(=O)c1sc2cc(C)ccc2c1Cl ZINC000818584469 1136885273 /nfs/dbraw/zinc/88/52/73/1136885273.db2.gz NXOUMCWRMWFKGL-UHFFFAOYSA-N 0 3 334.872 3.548 20 30 EHEDHN Cc1ccc(CN[C@H](C)c2ccc(N3CCCNC3=O)cc2)cc1C#N ZINC000859311901 1137011486 /nfs/dbraw/zinc/01/14/86/1137011486.db2.gz LCJIAZPQKKNOAC-MRXNPFEDSA-N 0 3 348.450 3.637 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCOc2ccccc21 ZINC000118141077 1137099264 /nfs/dbraw/zinc/09/92/64/1137099264.db2.gz VOIAPOYPGDQNQI-ZBFHGGJFSA-N 0 3 345.402 3.706 20 30 EHEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)C1 ZINC000805856248 1137125681 /nfs/dbraw/zinc/12/56/81/1137125681.db2.gz SLFCQRFFEORGHF-HKFAYQRXSA-N 0 3 342.439 3.663 20 30 EHEDHN C[C@@H](CN(C)Cc1ccc(C2(C#N)CC2)cc1)NC(=O)OC(C)(C)C ZINC000862541443 1137149417 /nfs/dbraw/zinc/14/94/17/1137149417.db2.gz QRBARCVPPPJUNW-HNNXBMFYSA-N 0 3 343.471 3.587 20 30 EHEDHN COc1cc(NC(=N)c2ccc3cc(O)ccc3c2)ccc1CC#N ZINC001171184217 1137293664 /nfs/dbraw/zinc/29/36/64/1137293664.db2.gz DYFSOUROUYVOAC-UHFFFAOYSA-N 0 3 331.375 3.657 20 30 EHEDHN C#Cc1ccc(CN2CCC3(CCCN3C(=O)c3ccco3)CC2)cc1 ZINC001144568660 1137311495 /nfs/dbraw/zinc/31/14/95/1137311495.db2.gz BXBFFLKTRTYSMO-UHFFFAOYSA-N 0 3 348.446 3.532 20 30 EHEDHN C#Cc1ccc(CN2CCC(N(CC)C(=O)OC(C)(C)C)CC2)cc1 ZINC001144573339 1137311653 /nfs/dbraw/zinc/31/16/53/1137311653.db2.gz GUXXVTXXRGURIJ-UHFFFAOYSA-N 0 3 342.483 3.889 20 30 EHEDHN C=CC[C@@H](C)[C@@H](C)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000846050906 1137330150 /nfs/dbraw/zinc/33/01/50/1137330150.db2.gz WKCTXLQWLYGLLG-RTBURBONSA-N 0 3 345.531 3.716 20 30 EHEDHN C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1[O-] ZINC000846213403 1137341523 /nfs/dbraw/zinc/34/15/23/1137341523.db2.gz SDLWRAOEEGYRAY-INIZCTEOSA-N 0 3 335.451 3.579 20 30 EHEDHN Cc1cccc(N2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)c1C ZINC001171222929 1137347774 /nfs/dbraw/zinc/34/77/74/1137347774.db2.gz JSSCXIOKAJBLGO-GOSISDBHSA-N 0 3 333.479 3.928 20 30 EHEDHN CCc1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000121673848 1137381216 /nfs/dbraw/zinc/38/12/16/1137381216.db2.gz DALUGPXTLCMOLL-DNVCBOLYSA-N 0 3 340.467 3.900 20 30 EHEDHN Cc1nc2cc(NC3(C#N)CCN(Cc4ccccc4)CC3)ccc2[nH]1 ZINC001171276388 1137388641 /nfs/dbraw/zinc/38/86/41/1137388641.db2.gz AIENKCINFMZJFG-UHFFFAOYSA-N 0 3 345.450 3.842 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CC(CC#N)C2)CC12CCCCC2 ZINC001172051697 1137529447 /nfs/dbraw/zinc/52/94/47/1137529447.db2.gz ILTIISTXYDHQJW-KRWDZBQOSA-N 0 3 347.503 3.934 20 30 EHEDHN CCCCCCC[C@@H](CC)N1CCN(c2nccnc2C#N)CC1 ZINC001172356929 1137554244 /nfs/dbraw/zinc/55/42/44/1137554244.db2.gz ZSASQXWHRFFHMP-QGZVFWFLSA-N 0 3 329.492 3.609 20 30 EHEDHN C[C@@H]1C[C@H](NCc2cccc(F)c2C#N)CCN1C(=O)OC(C)(C)C ZINC000873115459 1137590464 /nfs/dbraw/zinc/59/04/64/1137590464.db2.gz OEZKMBUYJQQJFD-UKRRQHHQSA-N 0 3 347.434 3.575 20 30 EHEDHN C=CC(C)(C)CCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000876323124 1137648843 /nfs/dbraw/zinc/64/88/43/1137648843.db2.gz DTMPDTNSAQXPOE-UHFFFAOYSA-N 0 3 347.503 3.878 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000876576129 1137656032 /nfs/dbraw/zinc/65/60/32/1137656032.db2.gz BFSCRJIPGNJTBL-OALUTQOASA-N 0 3 340.854 3.631 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000876683935 1137659112 /nfs/dbraw/zinc/65/91/12/1137659112.db2.gz YVOJNHITXAEXGT-RBUKOAKNSA-N 0 3 342.870 3.599 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000876698528 1137659335 /nfs/dbraw/zinc/65/93/35/1137659335.db2.gz RGAPSMZRBAZSKK-ZIAGYGMSSA-N 0 3 330.806 3.638 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000876698526 1137659337 /nfs/dbraw/zinc/65/93/37/1137659337.db2.gz RGAPSMZRBAZSKK-KGLIPLIRSA-N 0 3 330.806 3.638 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000876705272 1137659481 /nfs/dbraw/zinc/65/94/81/1137659481.db2.gz XOEKKJKJDWHQNV-LKFCYVNXSA-N 0 3 347.673 3.909 20 30 EHEDHN COc1ccc(CC[C@H](C)NCc2cc(C#N)cnc2Cl)cc1 ZINC000876988624 1137666977 /nfs/dbraw/zinc/66/69/77/1137666977.db2.gz HMNWFWYIUBFYQZ-ZDUSSCGKSA-N 0 3 329.831 3.726 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CCC(Cc3nccs3)CC2)cc1 ZINC000877675455 1137685532 /nfs/dbraw/zinc/68/55/32/1137685532.db2.gz ZUNLJRRMWPTGLG-OAHLLOKOSA-N 0 3 341.480 3.889 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000877982581 1137698281 /nfs/dbraw/zinc/69/82/81/1137698281.db2.gz ARXZEKDOOAIVHH-HXUWFJFHSA-N 0 3 345.483 3.659 20 30 EHEDHN CC(=O)[C@](C#N)(CCN1CCCc2ccccc2C1)c1ccccc1 ZINC000878084775 1137701699 /nfs/dbraw/zinc/70/16/99/1137701699.db2.gz KQWOVVJYIWKEKE-JOCHJYFZSA-N 0 3 332.447 3.875 20 30 EHEDHN C[C@@H](C#N)OCCN1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000878932238 1137732530 /nfs/dbraw/zinc/73/25/30/1137732530.db2.gz QTPNFJXNGOYLBW-AWEZNQCLSA-N 0 3 335.517 3.624 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(COC(C)C)cc2)CC1 ZINC000106323561 1137883290 /nfs/dbraw/zinc/88/32/90/1137883290.db2.gz IZUVKIFLIDKDHA-UHFFFAOYSA-N 0 3 345.487 3.774 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(OC)c(OC(F)F)c2)cc1 ZINC000113318566 1137912619 /nfs/dbraw/zinc/91/26/19/1137912619.db2.gz MTMFZYHHLZVJSV-UHFFFAOYSA-N 0 3 347.361 3.598 20 30 EHEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000331783288 1137920367 /nfs/dbraw/zinc/92/03/67/1137920367.db2.gz IGFRAFBZAXHGTC-UTKZUKDTSA-N 0 3 339.483 3.875 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(C)c2C)CC1 ZINC000115678883 1137922889 /nfs/dbraw/zinc/92/28/89/1137922889.db2.gz IDFUHNYJGXJJFI-KRWDZBQOSA-N 0 3 329.488 3.704 20 30 EHEDHN CSc1ccccc1CN(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000348311613 1137934415 /nfs/dbraw/zinc/93/44/15/1137934415.db2.gz ZVUXUHBAZXZTGG-UHFFFAOYSA-N 0 3 339.464 3.741 20 30 EHEDHN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000886229406 1138061328 /nfs/dbraw/zinc/06/13/28/1138061328.db2.gz PATIPQLQXSYXLK-GXTWGEPZSA-N 0 3 346.862 3.654 20 30 EHEDHN COc1ccc(Cl)cc1C(C)(C)NC[C@@H](O)CC1(C#N)CCC1 ZINC000886251359 1138062642 /nfs/dbraw/zinc/06/26/42/1138062642.db2.gz AYMCRUDCVFQMDV-AWEZNQCLSA-N 0 3 336.863 3.618 20 30 EHEDHN COc1cc(C)c(CNCc2ccc(SC)c(C#N)c2)cc1OC ZINC000886277639 1138063512 /nfs/dbraw/zinc/06/35/12/1138063512.db2.gz XSNYIXIFFHRTBL-UHFFFAOYSA-N 0 3 342.464 3.896 20 30 EHEDHN C#CCC1(NCc2ccc(Br)cc2Cl)CCOCC1 ZINC000886381839 1138072949 /nfs/dbraw/zinc/07/29/49/1138072949.db2.gz UPTAAGQDXNLCOM-UHFFFAOYSA-N 0 3 342.664 3.765 20 30 EHEDHN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075745719 1138128580 /nfs/dbraw/zinc/12/85/80/1138128580.db2.gz KBRGJNZMONDKMX-HNAYVOBHSA-N 0 3 344.418 3.986 20 30 EHEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cnn(Cc2ccccc2)c1 ZINC000348414109 1138273797 /nfs/dbraw/zinc/27/37/97/1138273797.db2.gz WYMAQFTZJATJCH-QGZVFWFLSA-N 0 3 346.434 3.533 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2ccc(Cl)s2)CC1 ZINC000265165861 1138752308 /nfs/dbraw/zinc/75/23/08/1138752308.db2.gz VDNJGGDOUXRPBQ-ZDUSSCGKSA-N 0 3 341.908 3.802 20 30 EHEDHN CCCCCC(=O)NC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000265369323 1138836035 /nfs/dbraw/zinc/83/60/35/1138836035.db2.gz AATKUFCDAZORQD-INIZCTEOSA-N 0 3 327.472 3.780 20 30 EHEDHN N#CCOc1ccc(CNCc2ccc(OCC(F)F)cc2)cc1 ZINC000174357513 1139416538 /nfs/dbraw/zinc/41/65/38/1139416538.db2.gz ZZNGRDKHAHEDCM-UHFFFAOYSA-N 0 3 332.350 3.523 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)Sc2ccccc2)CC1 ZINC000176500210 1139560609 /nfs/dbraw/zinc/56/06/09/1139560609.db2.gz PYXRFPXBQZXCCN-INIZCTEOSA-N 0 3 347.528 3.507 20 30 EHEDHN Cc1csc([C@H](NCCCOc2cccc(C#N)c2)C2CC2)n1 ZINC000181625094 1139920493 /nfs/dbraw/zinc/92/04/93/1139920493.db2.gz JKYAWSQMXGWYSS-QGZVFWFLSA-N 0 3 327.453 3.833 20 30 EHEDHN CN(C(=O)c1ccccc1Oc1ccccc1C#N)[C@@H]1CCCN(C)C1 ZINC000182032273 1139946390 /nfs/dbraw/zinc/94/63/90/1139946390.db2.gz RWHRRDMFCKBGME-QGZVFWFLSA-N 0 3 349.434 3.517 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000182842254 1139996037 /nfs/dbraw/zinc/99/60/37/1139996037.db2.gz KPQLNBNPBLHFEI-UHFFFAOYSA-N 0 3 343.805 3.780 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)o1 ZINC000185204483 1140140248 /nfs/dbraw/zinc/14/02/48/1140140248.db2.gz KSEMLOQEXAOYOL-GFCCVEGCSA-N 0 3 335.329 3.539 20 30 EHEDHN CC(C)CN(Cc1cnc(N(C)C)s1)Cc1ccc(C#N)cc1 ZINC000350654838 1140234593 /nfs/dbraw/zinc/23/45/93/1140234593.db2.gz HPRSVARWBSVGMK-UHFFFAOYSA-N 0 3 328.485 3.739 20 30 EHEDHN COC(=O)COc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000190035001 1140382500 /nfs/dbraw/zinc/38/25/00/1140382500.db2.gz XSJVOZMMXGEHHQ-LSDHHAIUSA-N 0 3 338.407 3.522 20 30 EHEDHN CCCN1CCN(c2ccccc2C=NOCCC(F)(F)F)CC1 ZINC000777459900 1140391983 /nfs/dbraw/zinc/39/19/83/1140391983.db2.gz MJLRSUSFOAXLGF-UHFFFAOYSA-N 0 3 343.393 3.522 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)NCC2(C)OCCCO2)cc1 ZINC000190666302 1140413485 /nfs/dbraw/zinc/41/34/85/1140413485.db2.gz OTHMITXMHXIIGH-AWEZNQCLSA-N 0 3 325.836 3.622 20 30 EHEDHN CCOc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1OCC ZINC000190688993 1140414993 /nfs/dbraw/zinc/41/49/93/1140414993.db2.gz MZHANXQMEKCHFT-AWEZNQCLSA-N 0 3 327.428 3.545 20 30 EHEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000192055956 1140499771 /nfs/dbraw/zinc/49/97/71/1140499771.db2.gz LJQMMWDQBUWSCB-MSOLQXFVSA-N 0 3 330.790 3.971 20 30 EHEDHN COc1ccc(CN[C@H](C)c2cc(OC)c(OC)cc2C)cc1C#N ZINC000266229263 1140658026 /nfs/dbraw/zinc/65/80/26/1140658026.db2.gz TYUPEOOJOYBNNM-CQSZACIVSA-N 0 3 340.423 3.743 20 30 EHEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000270630357 1141247520 /nfs/dbraw/zinc/24/75/20/1141247520.db2.gz HMUMQTWDDZNMFS-MOPGFXCFSA-N 0 3 345.368 3.511 20 30 EHEDHN C=CCCC[N@@H+](C)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000735412521 599475999 /nfs/dbraw/zinc/47/59/99/599475999.db2.gz FBBGPUUAZCSLLM-UHFFFAOYSA-N 0 3 333.439 3.932 20 30 EHEDHN C=CCCC[N@H+](C)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000735412521 599476002 /nfs/dbraw/zinc/47/60/02/599476002.db2.gz FBBGPUUAZCSLLM-UHFFFAOYSA-N 0 3 333.439 3.932 20 30 EHEDHN C=CCCC[N@@H+](C)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000735412521 599476003 /nfs/dbraw/zinc/47/60/03/599476003.db2.gz FBBGPUUAZCSLLM-UHFFFAOYSA-N 0 3 333.439 3.932 20 30 EHEDHN C=CCCC[N@H+](C)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000735412521 599476006 /nfs/dbraw/zinc/47/60/06/599476006.db2.gz FBBGPUUAZCSLLM-UHFFFAOYSA-N 0 3 333.439 3.932 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000187166085 1015067443 /nfs/dbraw/zinc/06/74/43/1015067443.db2.gz DPKROIPNVRELAS-AWEZNQCLSA-N 0 3 339.464 3.575 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](CC3CC3)C2)c1C ZINC000339676488 1015504576 /nfs/dbraw/zinc/50/45/76/1015504576.db2.gz UNPOUZCOJZUKIZ-LJQANCHMSA-N 0 3 339.483 3.672 20 30 EHEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCOC1 ZINC000510158369 1015873047 /nfs/dbraw/zinc/87/30/47/1015873047.db2.gz GJPUCMRYXAXAPQ-OAQYLSRUSA-N 0 3 334.463 3.997 20 30 EHEDHN C#CCN(CCCOCCc1ccccc1)Cc1ccc(F)cc1 ZINC001167273448 1016913591 /nfs/dbraw/zinc/91/35/91/1016913591.db2.gz HABUIOXQISROSF-UHFFFAOYSA-N 0 3 325.427 3.910 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000178266926 1016929830 /nfs/dbraw/zinc/92/98/30/1016929830.db2.gz PKSAFXMJYNFGFH-JKSUJKDBSA-N 0 3 337.419 3.882 20 30 EHEDHN COc1cccc(CCCN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376738438 1017028855 /nfs/dbraw/zinc/02/88/55/1017028855.db2.gz UGTUUCOYIWXIMS-UHFFFAOYSA-N 0 3 335.451 3.580 20 30 EHEDHN CC[NH+](CC)Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000340363773 1017037895 /nfs/dbraw/zinc/03/78/95/1017037895.db2.gz MFGUWNLYFOLEJK-KRWDZBQOSA-N 0 3 346.434 3.895 20 30 EHEDHN Oc1ccc2ccccc2c1/C=N\[C@@H]1CCCN2CCSC[C@H]12 ZINC000905002258 1032316285 /nfs/dbraw/zinc/31/62/85/1032316285.db2.gz GDJWGUMTGXVKNG-HOEOUTIMSA-N 0 3 326.465 3.544 20 30 EHEDHN CC1/C(=C/c2cn(-c3ccccc3)nc2C(C)(C)C)C(=O)c2ncnn21 ZINC000905084616 1032334506 /nfs/dbraw/zinc/33/45/06/1032334506.db2.gz JGFBJNHQNWNADH-YDRQLGOLSA-N 0 3 347.422 3.602 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC000307042083 1017314194 /nfs/dbraw/zinc/31/41/94/1017314194.db2.gz AQSOMQWLMVJZKF-WCQYABFASA-N 0 3 332.860 3.601 20 30 EHEDHN COCCC[C@H](Cc1ccccc1)NCc1cccc(F)c1C#N ZINC000602018155 1032592177 /nfs/dbraw/zinc/59/21/77/1032592177.db2.gz WGWCEIDJKVQCRQ-GOSISDBHSA-N 0 3 326.415 3.825 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000544894169 1017354334 /nfs/dbraw/zinc/35/43/34/1017354334.db2.gz SNTKJVGNGRFIAG-GCKMJXCFSA-N 0 3 341.499 3.659 20 30 EHEDHN COc1ccc2c(c1)nccc2N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761239145 1032700779 /nfs/dbraw/zinc/70/07/79/1032700779.db2.gz BFSBMVWLGALXOK-OAQYLSRUSA-N 0 3 345.402 3.693 20 30 EHEDHN N#Cc1cccc(OCCN2CCC(OCC3CCCC3)CC2)c1 ZINC000177492082 1017678579 /nfs/dbraw/zinc/67/85/79/1017678579.db2.gz WMTMRXRYJOMIPU-UHFFFAOYSA-N 0 3 328.456 3.608 20 30 EHEDHN CCCN(C)[C@@H](CNC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000574183582 1032732379 /nfs/dbraw/zinc/73/23/79/1032732379.db2.gz LJBMSGSWYIWXAH-INIZCTEOSA-N 0 3 335.879 3.779 20 30 EHEDHN N#CC(C(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1 ZINC000127839881 1032746247 /nfs/dbraw/zinc/74/62/47/1032746247.db2.gz RRDSWEUCEARXIQ-GOSISDBHSA-N 0 3 345.402 3.838 20 30 EHEDHN CC(C)[C@H](NCc1cc(C#N)cs1)c1ccc2c(c1)OCCO2 ZINC000177681816 1018383817 /nfs/dbraw/zinc/38/38/17/1018383817.db2.gz DXJBZSNTBDPMDQ-SFHVURJKSA-N 0 3 328.437 3.878 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)c2cccc(F)c2)c([O-])c1 ZINC000255162273 1018487731 /nfs/dbraw/zinc/48/77/31/1018487731.db2.gz AENMTGDCNDHLLG-GFIJVFARSA-N 0 3 330.403 3.530 20 30 EHEDHN C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000471538609 1018632093 /nfs/dbraw/zinc/63/20/93/1018632093.db2.gz JDNBYVSITQNCRQ-JXFKEZNVSA-N 0 3 338.451 3.673 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000449554463 1032791357 /nfs/dbraw/zinc/79/13/57/1032791357.db2.gz OISHKZCHUKHKGL-FMKPAKJESA-N 0 3 338.373 3.560 20 30 EHEDHN CCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000129183134 1018965877 /nfs/dbraw/zinc/96/58/77/1018965877.db2.gz VACWBHYCKVEXLE-FQEVSTJZSA-N 0 3 348.450 3.687 20 30 EHEDHN CCCCCCCOc1ccc(CN[C@H]2CCCN(C)C2=O)cc1 ZINC001203155718 1019865904 /nfs/dbraw/zinc/86/59/04/1019865904.db2.gz FFRXTLLUVPJRGA-IBGZPJMESA-N 0 3 332.488 3.746 20 30 EHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345301696 1020139487 /nfs/dbraw/zinc/13/94/87/1020139487.db2.gz QEMPVJMFCLACRK-ILXRZTDVSA-N 0 3 346.500 3.685 20 30 EHEDHN Cc1cccc(CC2(O)CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000280331673 1020312948 /nfs/dbraw/zinc/31/29/48/1020312948.db2.gz HTBCSOTUFSATKS-GOSISDBHSA-N 0 3 334.463 3.997 20 30 EHEDHN COc1ccc2ccccc2c1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897602903 1032922161 /nfs/dbraw/zinc/92/21/61/1032922161.db2.gz ZLWONHFJDOBXGY-UHFFFAOYSA-N 0 3 337.419 3.686 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000430565333 1020733851 /nfs/dbraw/zinc/73/38/51/1020733851.db2.gz PVCCWLCKBLGPSW-LEWJYISDSA-N 0 3 349.478 3.645 20 30 EHEDHN CCc1oc2ccccc2c1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897602274 1032930419 /nfs/dbraw/zinc/93/04/19/1032930419.db2.gz MCPGJSRQGIXNQW-UHFFFAOYSA-N 0 3 325.408 3.833 20 30 EHEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000546230123 1021367080 /nfs/dbraw/zinc/36/70/80/1021367080.db2.gz UVFTXRZPTQAXBK-KRWDZBQOSA-N 0 3 327.472 3.639 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000664875325 1021408521 /nfs/dbraw/zinc/40/85/21/1021408521.db2.gz GCKWITVVOQSNGA-NCOADZHNSA-N 0 3 331.460 3.601 20 30 EHEDHN N#CCCC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000516469910 1021460210 /nfs/dbraw/zinc/46/02/10/1021460210.db2.gz ADWBYNKTBKAJBD-UHFFFAOYSA-N 0 3 326.419 3.586 20 30 EHEDHN CO[C@@H](CCNCc1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000341343703 1021475859 /nfs/dbraw/zinc/47/58/59/1021475859.db2.gz CHAQLPOEXLKSNC-NSHDSACASA-N 0 3 349.246 3.781 20 30 EHEDHN CCCCN(CCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000559066693 1021706316 /nfs/dbraw/zinc/70/63/16/1021706316.db2.gz NQHNPLJLVGFMCP-UHFFFAOYSA-N 0 3 348.512 3.767 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN([C@H](C)C2CC2)C2CC2)c1 ZINC000047908690 1021907239 /nfs/dbraw/zinc/90/72/39/1021907239.db2.gz QWXOZMOUQXVOOU-QGZVFWFLSA-N 0 3 339.483 3.813 20 30 EHEDHN Cc1cccc(CN(CC(=O)N[C@@](C)(C#N)C(C)C)CC(C)C)c1 ZINC000520173525 1021988192 /nfs/dbraw/zinc/98/81/92/1021988192.db2.gz OFVCSMSHYIGGEC-FQEVSTJZSA-N 0 3 329.488 3.508 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000602604544 1033021900 /nfs/dbraw/zinc/02/19/00/1033021900.db2.gz YPLYKPCAHSQJBF-ICSRJNTNSA-N 0 3 347.462 3.966 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN(CC)Cc1cccc(F)c1 ZINC000060845803 1033031974 /nfs/dbraw/zinc/03/19/74/1033031974.db2.gz DTGVFCYQNRDBKZ-FQEVSTJZSA-N 0 3 343.442 3.816 20 30 EHEDHN C=CCOCCCC(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894982916 1022324034 /nfs/dbraw/zinc/32/40/34/1022324034.db2.gz LLFYYEYPBVUWLO-UHFFFAOYSA-N 0 3 344.377 3.688 20 30 EHEDHN C=C(C)COc1cc(CN2CCC(CCCO)CC2)ccc1OC ZINC000341564126 1022335623 /nfs/dbraw/zinc/33/56/23/1022335623.db2.gz MSUFJUYXRTXOSA-UHFFFAOYSA-N 0 3 333.472 3.635 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000328643038 1022453694 /nfs/dbraw/zinc/45/36/94/1022453694.db2.gz GCPPKUOADWSMNY-SIXWZSSISA-N 0 3 329.444 3.535 20 30 EHEDHN O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc(F)c(Cl)c1 ZINC000328908878 1022541714 /nfs/dbraw/zinc/54/17/14/1022541714.db2.gz MJZKZQCYOKXSEJ-CJNGLKHVSA-N 0 3 339.798 3.554 20 30 EHEDHN CN1C[C@H](NC(=O)CNC(=O)CC2CCCC2)[C@H](c2ccccc2)C1 ZINC000328917888 1022545878 /nfs/dbraw/zinc/54/58/78/1022545878.db2.gz ABBAFBRQVVOURV-ROUUACIJSA-N 0 3 343.471 3.578 20 30 EHEDHN COC(=O)c1cc(CN[C@@H]2CCc3cc(C#N)ccc32)[nH]c1C(C)C ZINC000894589186 1022595142 /nfs/dbraw/zinc/59/51/42/1022595142.db2.gz KKMADNJYNWGOLG-GOSISDBHSA-N 0 3 337.423 3.573 20 30 EHEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1C ZINC000330633844 1022636433 /nfs/dbraw/zinc/63/64/33/1022636433.db2.gz AUNKGXXNYUZSJV-DLBZAZTESA-N 0 3 327.472 3.685 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000518016772 1022930729 /nfs/dbraw/zinc/93/07/29/1022930729.db2.gz RLLQGEHJZHAJFQ-SFHVURJKSA-N 0 3 349.906 3.987 20 30 EHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000426765965 1023018938 /nfs/dbraw/zinc/01/89/38/1023018938.db2.gz VCHDMSTZUHIEBS-AEGPPILISA-N 0 3 331.847 3.661 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000426794460 1023051205 /nfs/dbraw/zinc/05/12/05/1023051205.db2.gz RPHMTQPQUWGUIV-KDURUIRLSA-N 0 3 339.483 3.672 20 30 EHEDHN CCC(CC)[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000536381679 1023132763 /nfs/dbraw/zinc/13/27/63/1023132763.db2.gz ITWOBXPKTSIBKA-INIZCTEOSA-N 0 3 329.488 3.521 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C#N)cc2C2CC2)CC1 ZINC000933839943 1023137979 /nfs/dbraw/zinc/13/79/79/1023137979.db2.gz ICDOIOCJSWHDMT-UHFFFAOYSA-N 0 3 338.455 3.598 20 30 EHEDHN C=CCC[C@@H](N[C@@H](C)CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000341869967 1023498784 /nfs/dbraw/zinc/49/87/84/1023498784.db2.gz CUMAGGILZMTKRU-SWLSCSKDSA-N 0 3 349.418 3.735 20 30 EHEDHN N#CCC1(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CC1 ZINC000602772004 1033151429 /nfs/dbraw/zinc/15/14/29/1033151429.db2.gz FJGQHUZYDANPSD-KRWDZBQOSA-N 0 3 343.858 3.782 20 30 EHEDHN CCN(CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CCCC1 ZINC000341983056 1023734148 /nfs/dbraw/zinc/73/41/48/1023734148.db2.gz DTWGFJDQNGKOGV-UHFFFAOYSA-N 0 3 327.472 3.815 20 30 EHEDHN C[C@H](NC1CCN(CC#N)CC1)c1cc(F)c(Cl)cc1Cl ZINC000610813611 1023737711 /nfs/dbraw/zinc/73/77/11/1023737711.db2.gz MLGGSBUGHOTEAU-JTQLQIEISA-N 0 3 330.234 3.771 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC1 ZINC000181034237 1023792916 /nfs/dbraw/zinc/79/29/16/1023792916.db2.gz ITYWEVHFEHXYFD-AWEZNQCLSA-N 0 3 349.441 3.693 20 30 EHEDHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000330059728 1024305007 /nfs/dbraw/zinc/30/50/07/1024305007.db2.gz LMOPNYADJSEQEK-HUUCEWRRSA-N 0 3 341.455 3.956 20 30 EHEDHN N#Cc1ccccc1OCCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000505565171 1024499243 /nfs/dbraw/zinc/49/92/43/1024499243.db2.gz TVPUASWLSDGLTE-HXUWFJFHSA-N 0 3 336.435 3.618 20 30 EHEDHN C[C@H](NCc1ccc(Cn2ccnc2)cc1)c1ccc(C#N)c(F)c1 ZINC000346229146 1024542255 /nfs/dbraw/zinc/54/22/55/1024542255.db2.gz ZUHPXOZLZXDYQO-HNNXBMFYSA-N 0 3 334.398 3.793 20 30 EHEDHN N#CCC[C@@H](C#N)CNCC1(Cc2ccc(Br)cc2)CC1 ZINC000594732712 1033506573 /nfs/dbraw/zinc/50/65/73/1033506573.db2.gz XEWVYSYXCSUHSK-HNNXBMFYSA-N 0 3 346.272 3.805 20 30 EHEDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909254 1033242683 /nfs/dbraw/zinc/24/26/83/1033242683.db2.gz KSXLEHUTONDSHX-CQSZACIVSA-N 0 3 336.395 3.802 20 30 EHEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000895960854 1025001500 /nfs/dbraw/zinc/00/15/00/1025001500.db2.gz HNZCGYWNXUSVRP-JKSUJKDBSA-N 0 3 342.487 3.532 20 30 EHEDHN Cc1cccnc1[C@@H](NCCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000121008377 1025192666 /nfs/dbraw/zinc/19/26/66/1025192666.db2.gz PGKKNXQYWGLMMV-IBGZPJMESA-N 0 3 336.439 3.577 20 30 EHEDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccco1 ZINC000166089786 1025292929 /nfs/dbraw/zinc/29/29/29/1025292929.db2.gz XOAXFWDKBQBFTC-INIZCTEOSA-N 0 3 328.372 3.554 20 30 EHEDHN C=C(C)COc1cccc(NC(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000436014495 1025315573 /nfs/dbraw/zinc/31/55/73/1025315573.db2.gz JOBYIINKPOZXGZ-UHFFFAOYSA-N 0 3 345.487 3.980 20 30 EHEDHN N#Cc1cnn2cc(CN[C@@H](CC3CCC3)c3ccccc3)cnc12 ZINC000521436072 1025390060 /nfs/dbraw/zinc/39/00/60/1025390060.db2.gz LZNHKSWZTIRQFP-IBGZPJMESA-N 0 3 331.423 3.622 20 30 EHEDHN CC(C)N(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000183041282 1025434938 /nfs/dbraw/zinc/43/49/38/1025434938.db2.gz RUHPYJAODQPWSG-HNNXBMFYSA-N 0 3 333.501 3.996 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000436293740 1025557035 /nfs/dbraw/zinc/55/70/35/1025557035.db2.gz DPKDZLXGADOKBK-UXPWSPDFSA-N 0 3 326.415 3.881 20 30 EHEDHN N#Cc1ccc(SC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000582196017 1025567242 /nfs/dbraw/zinc/56/72/42/1025567242.db2.gz DIJNXRBZXXWUEK-LJQANCHMSA-N 0 3 338.476 3.941 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000329153584 1025630187 /nfs/dbraw/zinc/63/01/87/1025630187.db2.gz AFNSBOUBMBJERM-HGKSCXNLSA-N 0 3 330.472 3.889 20 30 EHEDHN Cc1ccc(OC[C@@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000425540574 1025687491 /nfs/dbraw/zinc/68/74/91/1025687491.db2.gz OKCIQKDRTQMQRP-PXNSSMCTSA-N 0 3 338.451 3.608 20 30 EHEDHN CN1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000329394277 1025805437 /nfs/dbraw/zinc/80/54/37/1025805437.db2.gz STZMECNFRSDKMR-APWZRJJASA-N 0 3 340.471 3.703 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000451606114 1026139246 /nfs/dbraw/zinc/13/92/46/1026139246.db2.gz GTRFDDAACIZKDN-SJORKVTESA-N 0 3 329.831 3.539 20 30 EHEDHN CN(CCC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)c(F)c1 ZINC000127655784 1026233362 /nfs/dbraw/zinc/23/33/62/1026233362.db2.gz GWACIBFCSZNHKP-UHFFFAOYSA-N 0 3 345.805 3.811 20 30 EHEDHN C=CCN1CCC(Nc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301383764 1026786277 /nfs/dbraw/zinc/78/62/77/1026786277.db2.gz BHRVFLZKEVDMNU-UHFFFAOYSA-N 0 3 326.831 3.822 20 30 EHEDHN CCCN(CCN1CCCCC1)C(=O)c1cccc(SCC#N)c1 ZINC000342789567 1027070673 /nfs/dbraw/zinc/07/06/73/1027070673.db2.gz QUJSJXZOKHODHS-UHFFFAOYSA-N 0 3 345.512 3.640 20 30 EHEDHN N#CCOc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000272736219 1027091815 /nfs/dbraw/zinc/09/18/15/1027091815.db2.gz ALLFINREKWYEMI-UHFFFAOYSA-N 0 3 346.434 3.537 20 30 EHEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)CCCC2 ZINC000501749160 1027508718 /nfs/dbraw/zinc/50/87/18/1027508718.db2.gz JKCOUNSOSRWMBA-OAHLLOKOSA-N 0 3 333.435 3.726 20 30 EHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000533425810 1027851833 /nfs/dbraw/zinc/85/18/33/1027851833.db2.gz IRHATXIEVDZQEF-INIZCTEOSA-N 0 3 346.471 3.853 20 30 EHEDHN Cc1cccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)c1C ZINC000115602930 1027982106 /nfs/dbraw/zinc/98/21/06/1027982106.db2.gz WGWZCHABFUEZJC-IAGOWNOFSA-N 0 3 327.472 3.685 20 30 EHEDHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000444766007 1028251225 /nfs/dbraw/zinc/25/12/25/1028251225.db2.gz GFBUOZYTUNNUND-ZWKOTPCHSA-N 0 3 327.472 3.690 20 30 EHEDHN C=CCCC[C@H](C)N1CCN(CC(=O)Nc2ccccc2CC)CC1 ZINC000091507733 1028290239 /nfs/dbraw/zinc/29/02/39/1028290239.db2.gz LOKVHYDGDRHCRS-SFHVURJKSA-N 0 3 343.515 3.550 20 30 EHEDHN Cn1cccc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544870 1028331341 /nfs/dbraw/zinc/33/13/41/1028331341.db2.gz OTOAFRSYAJMRIE-AWEZNQCLSA-N 0 3 332.388 3.510 20 30 EHEDHN Cn1cccc1C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544870 1028331359 /nfs/dbraw/zinc/33/13/59/1028331359.db2.gz OTOAFRSYAJMRIE-AWEZNQCLSA-N 0 3 332.388 3.510 20 30 EHEDHN CC(C)[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC000502550605 1028341219 /nfs/dbraw/zinc/34/12/19/1028341219.db2.gz KCBFLTUVTGSXGA-UCLAIMLFSA-N 0 3 333.451 3.555 20 30 EHEDHN N#Cc1ccc(CNC(=O)CN[C@H](c2ccccc2)C2CCCC2)cc1 ZINC000532713565 1028437055 /nfs/dbraw/zinc/43/70/55/1028437055.db2.gz CEXKGEHEDRCXQW-JOCHJYFZSA-N 0 3 347.462 3.696 20 30 EHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CC[C@H](C)C1 ZINC000429591652 1028588040 /nfs/dbraw/zinc/58/80/40/1028588040.db2.gz OPHQOWUZSYWOMM-ARFHVFGLSA-N 0 3 345.512 3.997 20 30 EHEDHN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](N)CCCC#N ZINC000424086944 1028791664 /nfs/dbraw/zinc/79/16/64/1028791664.db2.gz COVBGFYODDDOEC-HNNXBMFYSA-N 0 3 342.270 3.752 20 30 EHEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1Oc1ccccc1 ZINC000424115464 1028812454 /nfs/dbraw/zinc/81/24/54/1028812454.db2.gz VGJCRGIFIXOARS-CRAIPNDOSA-N 0 3 337.423 3.677 20 30 EHEDHN C=CCn1cc(CN[C@@H](CC)Cc2ccc(Cl)cc2Cl)nn1 ZINC000424290311 1028932078 /nfs/dbraw/zinc/93/20/78/1028932078.db2.gz BKEAJHMSLDNJDZ-AWEZNQCLSA-N 0 3 339.270 3.882 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000422170505 1029109190 /nfs/dbraw/zinc/10/91/90/1029109190.db2.gz VUBFBSDJHDAYJD-IBGZPJMESA-N 0 3 341.499 3.615 20 30 EHEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc2c(c1)CC(=O)N2C ZINC000271804111 1029180015 /nfs/dbraw/zinc/18/00/15/1029180015.db2.gz KTNNLPHMFOQWRU-HNNXBMFYSA-N 0 3 347.462 3.857 20 30 EHEDHN CC1=CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000533760582 1029789552 /nfs/dbraw/zinc/78/95/52/1029789552.db2.gz GKZCQFHRAPAMHD-AWEZNQCLSA-N 0 3 343.496 3.725 20 30 EHEDHN C=CCCCN(C)CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000121035450 1030163958 /nfs/dbraw/zinc/16/39/58/1030163958.db2.gz WWPZWTQPFFKCSY-IBGZPJMESA-N 0 3 330.472 3.647 20 30 EHEDHN CC[C@@H](C)[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000525885922 1030205153 /nfs/dbraw/zinc/20/51/53/1030205153.db2.gz MYRFQKDHSVKZQZ-DYVFJYSZSA-N 0 3 333.863 3.579 20 30 EHEDHN CC(=O)Nc1cccc([C@@H](C)NC2CC(C#N)(c3ccccc3)C2)c1 ZINC000158452598 1030370939 /nfs/dbraw/zinc/37/09/39/1030370939.db2.gz XLYPECLXEKPUFY-TVRCVXMWSA-N 0 3 333.435 3.920 20 30 EHEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482509370 1030488683 /nfs/dbraw/zinc/48/86/83/1030488683.db2.gz NJXWSRLKWMRJGX-ZWKOTPCHSA-N 0 3 349.478 3.662 20 30 EHEDHN C[C@H](c1ccc(F)cc1F)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000093078528 1030552443 /nfs/dbraw/zinc/55/24/43/1030552443.db2.gz QVMYDSUYVWHLGP-OAHLLOKOSA-N 0 3 335.442 3.973 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000527238783 1030728513 /nfs/dbraw/zinc/72/85/13/1030728513.db2.gz VLWLKGYHTAZQHE-UHFFFAOYSA-N 0 3 336.414 3.985 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc(C)n(C3CCCCC3)c2C)CC1 ZINC000171721915 1030812815 /nfs/dbraw/zinc/81/28/15/1030812815.db2.gz SGYKYPRFQORTCI-UHFFFAOYSA-N 0 3 343.515 3.990 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1C ZINC000160559422 1030855341 /nfs/dbraw/zinc/85/53/41/1030855341.db2.gz LRHQAYXAQSFBJC-ICSRJNTNSA-N 0 3 339.483 3.815 20 30 EHEDHN Cn1cc(CNCc2ccc(COc3ccccc3)cc2)cc1C#N ZINC000190763210 1030935335 /nfs/dbraw/zinc/93/53/35/1030935335.db2.gz WGRGWPYNFZJYEM-UHFFFAOYSA-N 0 3 331.419 3.766 20 30 EHEDHN CN1CC[C@@H](NCC#Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000583963523 1031226581 /nfs/dbraw/zinc/22/65/81/1031226581.db2.gz OWXYPGANTXPKKY-UXHICEINSA-N 0 3 342.845 3.866 20 30 EHEDHN C[C@H](NC[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccc(C#N)cc1F ZINC000926915921 1031258263 /nfs/dbraw/zinc/25/82/63/1031258263.db2.gz MTHNGZKGNIWZIV-ITDIGPHOSA-N 0 3 330.325 3.848 20 30 EHEDHN CC(C)[C@@H]1C[C@@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc21 ZINC000583974403 1031272023 /nfs/dbraw/zinc/27/20/23/1031272023.db2.gz CSGDUKQHWKZZOI-YYWHXJBOSA-N 0 3 347.462 3.601 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000175477444 1031339915 /nfs/dbraw/zinc/33/99/15/1031339915.db2.gz ABRSSFDDIUVHJH-KXBFYZLASA-N 0 3 345.462 3.569 20 30 EHEDHN COc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C2CC2)cn1 ZINC000528042101 1031628559 /nfs/dbraw/zinc/62/85/59/1031628559.db2.gz CZYQZUSXMCSDKD-BUXKBTBVSA-N 0 3 325.387 3.903 20 30 EHEDHN N#Cc1cccc(C2(NCCC(=O)N3CCCc4ccccc43)CC2)c1 ZINC000551896731 1031748499 /nfs/dbraw/zinc/74/84/99/1031748499.db2.gz DFZAWZVDHPJTTM-UHFFFAOYSA-N 0 3 345.446 3.506 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CN(CCC(F)(F)F)Cc1ccccc1 ZINC000598615232 1033326367 /nfs/dbraw/zinc/32/63/67/1033326367.db2.gz ICJARPYGYKNAAJ-HNNXBMFYSA-N 0 3 328.378 3.742 20 30 EHEDHN N#CC1(c2ccc(CN3Cc4ncccc4N4CCC[C@H]4C3)cc2)CC1 ZINC000898165680 1033362458 /nfs/dbraw/zinc/36/24/58/1033362458.db2.gz HMLYZMHTSRWHPV-IBGZPJMESA-N 0 3 344.462 3.621 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000594431444 1033368196 /nfs/dbraw/zinc/36/81/96/1033368196.db2.gz MWTOTYOGVMVXIN-IBGZPJMESA-N 0 3 343.471 3.886 20 30 EHEDHN Cc1csc(Nc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2)n1 ZINC000594433520 1033372343 /nfs/dbraw/zinc/37/23/43/1033372343.db2.gz GCMWTEIAYFUPTQ-OAHLLOKOSA-N 0 3 343.456 3.545 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000594443095 1033379591 /nfs/dbraw/zinc/37/95/91/1033379591.db2.gz LFEBPFRXWXYMDG-OAHLLOKOSA-N 0 3 349.862 3.869 20 30 EHEDHN CC(=O)N1CC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)c2ccccc21 ZINC000598680332 1033379757 /nfs/dbraw/zinc/37/97/57/1033379757.db2.gz XBEIXOCXYGIBON-UXHICEINSA-N 0 3 331.419 3.633 20 30 EHEDHN Cc1cc(-c2csc(NC(=O)[C@H](N)CCCCC#N)n2)ccc1F ZINC000594426514 1033387974 /nfs/dbraw/zinc/38/79/74/1033387974.db2.gz DMMMIQOTPPNEDV-CQSZACIVSA-N 0 3 346.431 3.607 20 30 EHEDHN C=CCCCN(CC)Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000898244052 1033399048 /nfs/dbraw/zinc/39/90/48/1033399048.db2.gz AYAKFPOTDRNKPA-UHFFFAOYSA-N 0 3 349.475 3.797 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CN1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC000598705975 1033399868 /nfs/dbraw/zinc/39/98/68/1033399868.db2.gz OEXYOWIMZOJBPF-OAQYLSRUSA-N 0 3 348.490 3.783 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000594468537 1033409649 /nfs/dbraw/zinc/40/96/49/1033409649.db2.gz OFIALSHXUGWZTH-LJQANCHMSA-N 0 3 336.439 3.648 20 30 EHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)c1cccc(Cl)c1 ZINC000173581776 1033427416 /nfs/dbraw/zinc/42/74/16/1033427416.db2.gz JQOINLDODQMBNP-LJQANCHMSA-N 0 3 326.827 3.933 20 30 EHEDHN COCCOc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594926904 1033548490 /nfs/dbraw/zinc/54/84/90/1033548490.db2.gz XMVWAEQYEKKXGR-UHFFFAOYSA-N 0 3 336.435 3.557 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CC)c2ccccc2)CC1 ZINC000106275131 1033566531 /nfs/dbraw/zinc/56/65/31/1033566531.db2.gz ZRVMVKBYINDWBB-QGZVFWFLSA-N 0 3 329.488 3.520 20 30 EHEDHN CN(C)C(=O)Nc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594939035 1033587646 /nfs/dbraw/zinc/58/76/46/1033587646.db2.gz ZKDORBGFYMXZKY-UHFFFAOYSA-N 0 3 348.450 3.625 20 30 EHEDHN N#Cc1ccc(OC2CCN(CCOCc3ccccc3)CC2)cc1 ZINC000595302795 1033739228 /nfs/dbraw/zinc/73/92/28/1033739228.db2.gz JXADZFBEOBOTCY-UHFFFAOYSA-N 0 3 336.435 3.618 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000599259640 1033840121 /nfs/dbraw/zinc/84/01/21/1033840121.db2.gz PLTYJQPSXJMSKY-QZTJIDSGSA-N 0 3 348.874 3.548 20 30 EHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1csc(CC(=O)OC(C)C)n1 ZINC000595605050 1033917468 /nfs/dbraw/zinc/91/74/68/1033917468.db2.gz UJZJGYJQIAHKEN-HOCLYGCPSA-N 0 3 336.501 3.862 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599591219 1034027819 /nfs/dbraw/zinc/02/78/19/1034027819.db2.gz TXMMBPLMRRCZHB-QAPCUYQASA-N 0 3 328.456 3.666 20 30 EHEDHN C=CCOCCCN[C@H](C)c1ccc(OC)cc1Br ZINC000658210120 1034072997 /nfs/dbraw/zinc/07/29/97/1034072997.db2.gz OKZOSSWNALGAQY-GFCCVEGCSA-N 0 3 328.250 3.701 20 30 EHEDHN Cc1cc(NC[C@@H](c2ccsc2)N(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596077918 1034072127 /nfs/dbraw/zinc/07/21/27/1034072127.db2.gz ZXXXYRSCMPRTBZ-HNNXBMFYSA-N 0 3 330.413 3.551 20 30 EHEDHN N#CC(C(=O)c1cccc(Cn2ccnc2)c1)c1nc(C2CC2)cs1 ZINC000647379775 1034123458 /nfs/dbraw/zinc/12/34/58/1034123458.db2.gz MUJNXKLYRCNIDJ-MRXNPFEDSA-N 0 3 348.431 3.755 20 30 EHEDHN CC1CCN([C@H](CNC(=O)c2cccc(C#N)c2)c2ccccc2)CC1 ZINC000604200755 1034263997 /nfs/dbraw/zinc/26/39/97/1034263997.db2.gz XFTOSOMNEOEWRH-OAQYLSRUSA-N 0 3 347.462 3.761 20 30 EHEDHN C=CC1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604202465 1034265131 /nfs/dbraw/zinc/26/51/31/1034265131.db2.gz FLWTUIKSYBFLDE-HXUWFJFHSA-N 0 3 341.499 3.821 20 30 EHEDHN C=CCC1(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CCC1 ZINC000456319981 1034325418 /nfs/dbraw/zinc/32/54/18/1034325418.db2.gz BZTGZRHETPBVLU-GOSISDBHSA-N 0 3 326.484 3.713 20 30 EHEDHN N#Cc1cccc(OCCCN2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000612174417 1034379028 /nfs/dbraw/zinc/37/90/28/1034379028.db2.gz KNXNNZOVWLQTLD-FQEVSTJZSA-N 0 3 340.398 3.620 20 30 EHEDHN CCCN(CCC(=O)Nc1ccccc1C#N)Cc1ccccc1F ZINC000604493438 1034397834 /nfs/dbraw/zinc/39/78/34/1034397834.db2.gz XPXIRBAKMAXNFW-UHFFFAOYSA-N 0 3 339.414 3.938 20 30 EHEDHN Cc1csc([C@@H](C)NC2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC000375802938 1034560531 /nfs/dbraw/zinc/56/05/31/1034560531.db2.gz XZFQRAUSRCIGGW-CQSZACIVSA-N 0 3 326.469 3.643 20 30 EHEDHN COCCC1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597182951 1034587488 /nfs/dbraw/zinc/58/74/88/1034587488.db2.gz GAXHKTDPJUSZIK-UHFFFAOYSA-N 0 3 336.435 3.606 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3ccc4c(c3)CCOC4)CC2)cc1 ZINC000597210258 1034594634 /nfs/dbraw/zinc/59/46/34/1034594634.db2.gz KLXXUNZUJDLJNZ-UHFFFAOYSA-N 0 3 347.462 3.707 20 30 EHEDHN CN1CCC(N(Cc2ccco2)C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597220470 1034601919 /nfs/dbraw/zinc/60/19/19/1034601919.db2.gz JXVIHLOTEAESAD-UHFFFAOYSA-N 0 3 343.471 3.567 20 30 EHEDHN N#CC1(c2ccc(CN[C@H](c3ccncc3)C3(CO)CCC3)cc2)CC1 ZINC000597254085 1034627940 /nfs/dbraw/zinc/62/79/40/1034627940.db2.gz HSBYUIRMBUSZTK-HXUWFJFHSA-N 0 3 347.462 3.630 20 30 EHEDHN C[C@@H](NC(=O)CC1(C#N)CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000597524167 1034796871 /nfs/dbraw/zinc/79/68/71/1034796871.db2.gz XXPBQRRFUFSHEH-APWZRJJASA-N 0 3 327.472 3.658 20 30 EHEDHN C[C@H](NC(=O)CC1(C#N)CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000597524169 1034796951 /nfs/dbraw/zinc/79/69/51/1034796951.db2.gz XXPBQRRFUFSHEH-QFBILLFUSA-N 0 3 327.472 3.658 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(OC3CCC3)cc2Cl)CC1 ZINC000534676632 1034809965 /nfs/dbraw/zinc/80/99/65/1034809965.db2.gz RDLZKZPVPYPOAY-UHFFFAOYSA-N 0 3 348.874 3.652 20 30 EHEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000892499342 1034983832 /nfs/dbraw/zinc/98/38/32/1034983832.db2.gz VLSMTHLIICHCMU-ZDUSSCGKSA-N 0 3 334.778 3.873 20 30 EHEDHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000582018484 1035679999 /nfs/dbraw/zinc/67/99/99/1035679999.db2.gz SFRQIJQKEYOBFY-RNODOKPDSA-N 0 3 334.398 3.758 20 30 EHEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(-n2ccnn2)c1 ZINC000588230952 1035829478 /nfs/dbraw/zinc/82/94/78/1035829478.db2.gz PDBRPQFUPLGDRD-ZDUSSCGKSA-N 0 3 337.814 3.643 20 30 EHEDHN C[C@@H](NC[C@H](CO)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000588232663 1035832551 /nfs/dbraw/zinc/83/25/51/1035832551.db2.gz VLGQXLWRPNGIFR-IUODEOHRSA-N 0 3 332.806 3.777 20 30 EHEDHN COc1cc(CN(C)Cc2ccc(CC#N)cc2)ccc1OC(F)F ZINC000541281975 1036151961 /nfs/dbraw/zinc/15/19/61/1036151961.db2.gz JMCLYUKYNHMKEU-UHFFFAOYSA-N 0 3 346.377 3.995 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)=C(c3ccco3)C2)CC1 ZINC000376399191 1036518436 /nfs/dbraw/zinc/51/84/36/1036518436.db2.gz OWVRCDUORYATFE-UHFFFAOYSA-N 0 3 343.471 3.509 20 30 EHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000193258322 1036586088 /nfs/dbraw/zinc/58/60/88/1036586088.db2.gz PSZCNZXSPNGDNN-CYBMUJFWSA-N 0 3 345.337 3.582 20 30 EHEDHN CCN1CC[C@@H](NCc2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180366061 1036725826 /nfs/dbraw/zinc/72/58/26/1036725826.db2.gz IYTAZUINCYZQKD-MSOLQXFVSA-N 0 3 347.821 3.869 20 30 EHEDHN CC[C@H](CN1CCCC1)NC(=O)c1sc2ccc(C#N)cc2c1C ZINC000590256912 1036812351 /nfs/dbraw/zinc/81/23/51/1036812351.db2.gz KYDORCPORAJBKW-OAHLLOKOSA-N 0 3 341.480 3.686 20 30 EHEDHN Fc1ccc(C#CCN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000539492287 1036814638 /nfs/dbraw/zinc/81/46/38/1036814638.db2.gz OGLQFYQSALLUFM-OAQYLSRUSA-N 0 3 337.394 3.689 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)Cc1ccc(C)s1 ZINC000590322670 1036847963 /nfs/dbraw/zinc/84/79/63/1036847963.db2.gz PSKGYLQHHMYRMY-QGZVFWFLSA-N 0 3 331.481 3.657 20 30 EHEDHN CCCN(C)[C@@H](CNC(=O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000590373091 1036858018 /nfs/dbraw/zinc/85/80/18/1036858018.db2.gz LNVWWIKIYHXRJN-INIZCTEOSA-N 0 3 333.863 3.533 20 30 EHEDHN Cc1nsc(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1C#N ZINC000376449302 1036899734 /nfs/dbraw/zinc/89/97/34/1036899734.db2.gz OUXZJVUOIYDAPU-WFASDCNBSA-N 0 3 332.498 3.880 20 30 EHEDHN CN(C(=O)CN[C@]1(C)CCCc2ccccc21)C1(C#N)CCCCC1 ZINC000539807746 1037220567 /nfs/dbraw/zinc/22/05/67/1037220567.db2.gz HMIJDYWMXPJZFE-HXUWFJFHSA-N 0 3 339.483 3.513 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000106034965 1037281555 /nfs/dbraw/zinc/28/15/55/1037281555.db2.gz CNDHSNNFSSTRFT-UHFFFAOYSA-N 0 3 343.858 3.659 20 30 EHEDHN COC(=O)C1(c2ccccc2)CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000491389541 1037426201 /nfs/dbraw/zinc/42/62/01/1037426201.db2.gz ODFYCJXUWUXBSZ-QGZVFWFLSA-N 0 3 348.446 3.826 20 30 EHEDHN Cc1cc(C)cc(C2=CCN(C[C@H](O)c3cccc(C#N)c3)CC2)c1 ZINC001168222903 1037779851 /nfs/dbraw/zinc/77/98/51/1037779851.db2.gz QIPDBTWGZAJYGX-QFIPXVFZSA-N 0 3 332.447 3.998 20 30 EHEDHN N#Cc1cccc(NC(=O)CCNC2(c3ccccc3F)CCC2)c1 ZINC000592145350 1037864568 /nfs/dbraw/zinc/86/45/68/1037864568.db2.gz VKVADINYTPAQSS-UHFFFAOYSA-N 0 3 337.398 3.695 20 30 EHEDHN C[C@@H]1CC2(CN1Cc1ccc(C#N)cc1OC(F)F)CCOCC2 ZINC000592182712 1037909261 /nfs/dbraw/zinc/90/92/61/1037909261.db2.gz PZSKHZMJVSJTDP-CYBMUJFWSA-N 0 3 336.382 3.551 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1F ZINC000592165830 1037910389 /nfs/dbraw/zinc/91/03/89/1037910389.db2.gz FSPDQUVNZOHJIX-NHCUHLMSSA-N 0 3 338.426 3.655 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000173102019 1037935361 /nfs/dbraw/zinc/93/53/61/1037935361.db2.gz SBJFFCYVILTOJL-UHFFFAOYSA-N 0 3 326.440 3.820 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2c3ccccc3CCC[C@@H]2C)CC1 ZINC000184181463 1038015178 /nfs/dbraw/zinc/01/51/78/1038015178.db2.gz FDCFUPWWAQVQLH-JXFKEZNVSA-N 0 3 341.499 3.650 20 30 EHEDHN Cc1cc([C@H](NCC(=O)Nc2cccc(C#N)c2)C2CC2)ccc1F ZINC000540522753 1038051068 /nfs/dbraw/zinc/05/10/68/1038051068.db2.gz XLHUSLPZQDHUBQ-HXUWFJFHSA-N 0 3 337.398 3.685 20 30 EHEDHN COc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1OC(C)C ZINC000041520264 1038116739 /nfs/dbraw/zinc/11/67/39/1038116739.db2.gz RVOTTXWTULEFOV-ZDUSSCGKSA-N 0 3 330.409 3.737 20 30 EHEDHN CC[C@H](C)[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000539315402 1038769655 /nfs/dbraw/zinc/76/96/55/1038769655.db2.gz VDJOAJIZYVGWSB-BKTGTZMESA-N 0 3 347.890 3.825 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CNC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000539307007 1038776912 /nfs/dbraw/zinc/77/69/12/1038776912.db2.gz MIRNVNAZMJCXBL-NRFANRHFSA-N 0 3 343.515 3.863 20 30 EHEDHN Cc1cc(CN2CCC(O)(Cc3cccc(F)c3)CC2)ccc1C#N ZINC000488046873 1038806522 /nfs/dbraw/zinc/80/65/22/1038806522.db2.gz VNAOMCKBMAJZLZ-UHFFFAOYSA-N 0 3 338.426 3.575 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000728763262 1039125881 /nfs/dbraw/zinc/12/58/81/1039125881.db2.gz IVGVBCKAZGAHBA-MSOLQXFVSA-N 0 3 328.456 3.832 20 30 EHEDHN CCc1nc2c(s1)[C@H](N(C)CCOc1ccccc1C#N)CCC2 ZINC000478046669 1039166242 /nfs/dbraw/zinc/16/62/42/1039166242.db2.gz KGXZMDXDOHHGRG-MRXNPFEDSA-N 0 3 341.480 3.965 20 30 EHEDHN C=C(C)CN(CC/C=C\c1cncc(OC)c1)Cc1ccc(CO)o1 ZINC000584587782 1039312847 /nfs/dbraw/zinc/31/28/47/1039312847.db2.gz CGOHWIRDOYGBEW-XQRVVYSFSA-N 0 3 342.439 3.657 20 30 EHEDHN CC(C)(CNC[C@H](C#N)CCC#N)c1cccc(Br)c1 ZINC000554552459 1039454045 /nfs/dbraw/zinc/45/40/45/1039454045.db2.gz ZPMDVROUWDXNDP-ZDUSSCGKSA-N 0 3 334.261 3.760 20 30 EHEDHN C[C@@H](C(=O)N(CCN(C)C)CC1CCCCC1)c1cccc(C#N)c1 ZINC000485890264 1039676310 /nfs/dbraw/zinc/67/63/10/1039676310.db2.gz RVZKQXSQGHGHLM-QGZVFWFLSA-N 0 3 341.499 3.632 20 30 EHEDHN N#CC1(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000584850738 1040099418 /nfs/dbraw/zinc/09/94/18/1040099418.db2.gz MYCOVVXTKWBSIB-LEWJYISDSA-N 0 3 331.463 3.548 20 30 EHEDHN C=CCNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000489999251 1040278486 /nfs/dbraw/zinc/27/84/86/1040278486.db2.gz LZWWTJPQTKBJHG-UHFFFAOYSA-N 0 3 337.467 3.516 20 30 EHEDHN COc1ccccc1N1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000512637095 1040363825 /nfs/dbraw/zinc/36/38/25/1040363825.db2.gz RLVVVLHMJDCODM-GDBMZVCRSA-N 0 3 339.414 3.635 20 30 EHEDHN CC(C)CN(C(=O)CN[C@H](CCCC#N)c1ccccc1)C1CC1 ZINC000433011038 1040445351 /nfs/dbraw/zinc/44/53/51/1040445351.db2.gz MMCUHSXPSGSPQW-LJQANCHMSA-N 0 3 327.472 3.658 20 30 EHEDHN CC[C@@H](Cc1ccccc1)N(CC)CC(=O)Nc1sccc1C#N ZINC000120454429 1040456234 /nfs/dbraw/zinc/45/62/34/1040456234.db2.gz BPMQUVSOZJURJH-KRWDZBQOSA-N 0 3 341.480 3.901 20 30 EHEDHN C[C@@H]1CCCC[C@H]1NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433018214 1040460113 /nfs/dbraw/zinc/46/01/13/1040460113.db2.gz GEUIZYRCRDUCIT-BHIYHBOVSA-N 0 3 327.472 3.706 20 30 EHEDHN N#CCCCOc1cccc(CN2CCC(OC3CCC3)CC2)c1 ZINC000418094163 1040573596 /nfs/dbraw/zinc/57/35/96/1040573596.db2.gz RTXHTUJYFWXPJJ-UHFFFAOYSA-N 0 3 328.456 3.903 20 30 EHEDHN C=CCN1CCC(NC(=O)N2c3ccccc3C(C)(C)[C@H]2C)CC1 ZINC000664019857 1040830006 /nfs/dbraw/zinc/83/00/06/1040830006.db2.gz NKQGKWAELKULND-OAHLLOKOSA-N 0 3 327.472 3.533 20 30 EHEDHN N#CC[C@@H]1CC[C@H](N[C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000419261918 1040977914 /nfs/dbraw/zinc/97/79/14/1040977914.db2.gz RIGCRCZIXFPSTO-DZFGPLHGSA-N 0 3 347.462 3.716 20 30 EHEDHN C=CCC1(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCCCC1 ZINC000571021308 1041147741 /nfs/dbraw/zinc/14/77/41/1041147741.db2.gz OAKUMVAPCGPDJM-IBGZPJMESA-N 0 3 341.499 3.689 20 30 EHEDHN N#Cc1ccc(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000660433836 1041324488 /nfs/dbraw/zinc/32/44/88/1041324488.db2.gz BZQNFRDJOOGARC-UHFFFAOYSA-N 0 3 336.410 3.835 20 30 EHEDHN N#CCc1cccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000075630744 1042113564 /nfs/dbraw/zinc/11/35/64/1042113564.db2.gz JSHWCDWXRWIBEG-OAQYLSRUSA-N 0 3 347.462 3.710 20 30 EHEDHN CC[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000343915609 1042820392 /nfs/dbraw/zinc/82/03/92/1042820392.db2.gz XAEUCHNNHWBBKV-MSOLQXFVSA-N 0 3 327.472 3.834 20 30 EHEDHN CC[C@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(C#N)cc1 ZINC000278889848 1042844986 /nfs/dbraw/zinc/84/49/86/1042844986.db2.gz YLTTXLMIXQVHFI-FQEVSTJZSA-N 0 3 333.435 3.691 20 30 EHEDHN C=CCN1CCC(NC(=O)CCC[C@H](C)c2cccc(OC)c2)CC1 ZINC000278974549 1043106762 /nfs/dbraw/zinc/10/67/62/1043106762.db2.gz GDQUKBRRGURDRZ-KRWDZBQOSA-N 0 3 344.499 3.736 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000050025052 1043228886 /nfs/dbraw/zinc/22/88/86/1043228886.db2.gz WXQUIBTXUZOZOO-GFCCVEGCSA-N 0 3 339.266 3.516 20 30 EHEDHN CCOc1cc(C#N)ccc1OCCN(C)Cc1ccc(F)cc1 ZINC000344658063 1044247393 /nfs/dbraw/zinc/24/73/93/1044247393.db2.gz UVTKVWKNNYQDJD-UHFFFAOYSA-N 0 3 328.387 3.607 20 30 EHEDHN COc1ccc2nccc(N3CCC(C#N)(c4ccccn4)CC3)c2c1 ZINC000893698533 1044362174 /nfs/dbraw/zinc/36/21/74/1044362174.db2.gz YNGJGAKCSZUOJX-UHFFFAOYSA-N 0 3 344.418 3.700 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2C)C(C)C)CC1 ZINC000171978150 1126772556 /nfs/dbraw/zinc/77/25/56/1126772556.db2.gz IZMJIECQEPGACT-IBGZPJMESA-N 0 3 329.488 3.642 20 30 EHEDHN C=CCC[C@H](NCC(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000178758192 1127030040 /nfs/dbraw/zinc/03/00/40/1127030040.db2.gz OJFUHXZEAHOQGJ-FQEVSTJZSA-N 0 3 338.451 3.609 20 30 EHEDHN C=CCOc1ccc(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000785437903 1127731671 /nfs/dbraw/zinc/73/16/71/1127731671.db2.gz BWHBYAFQNAKIQJ-OAHLLOKOSA-N 0 3 334.460 3.596 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)[C@@H](C)CC)CC1 ZINC000172135074 1127774472 /nfs/dbraw/zinc/77/44/72/1127774472.db2.gz CDUVDJQBGLVJDP-KRWDZBQOSA-N 0 3 329.488 3.647 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000104701559 1127893682 /nfs/dbraw/zinc/89/36/82/1127893682.db2.gz MGCJLFGCGXPMHM-ZAAXVRCTSA-N 0 3 327.472 3.560 20 30 EHEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000734506343 1131243045 /nfs/dbraw/zinc/24/30/45/1131243045.db2.gz MSAGWTBLHUXRDS-KZNAEPCWSA-N 0 3 327.472 3.527 20 30 EHEDHN CN(C)[C@@H](CNc1nc2c(cc1C#N)CCCC2)c1cccc(F)c1 ZINC000301076939 1128571995 /nfs/dbraw/zinc/57/19/95/1128571995.db2.gz HYUKTHIGPMTUFQ-IBGZPJMESA-N 0 3 338.430 3.686 20 30 EHEDHN COc1cccc([C@H](CNc2cc(C#N)nc3ccccc32)N(C)C)c1 ZINC000301366947 1128587861 /nfs/dbraw/zinc/58/78/61/1128587861.db2.gz SOMUGIMCJPHMMZ-NRFANRHFSA-N 0 3 346.434 3.830 20 30 EHEDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)cc1 ZINC000301457224 1128592192 /nfs/dbraw/zinc/59/21/92/1128592192.db2.gz CIZHEHIFMUCTER-KRWDZBQOSA-N 0 3 344.802 3.835 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000302120882 1128621189 /nfs/dbraw/zinc/62/11/89/1128621189.db2.gz UDQVMEYWJIMYQG-QGZVFWFLSA-N 0 3 347.462 3.862 20 30 EHEDHN CCN1CCN(c2cccc(Nc3snc(Cl)c3C#N)c2)CC1 ZINC000302292674 1128629549 /nfs/dbraw/zinc/62/95/49/1128629549.db2.gz WUINPOWXCMQMHK-UHFFFAOYSA-N 0 3 347.875 3.554 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000462472279 1128629935 /nfs/dbraw/zinc/62/99/35/1128629935.db2.gz XPIWMWCBEJOCBY-HDMKZQKVSA-N 0 3 339.439 3.500 20 30 EHEDHN CC(C)(C)OC(=O)NCC1(NCc2csc(C#N)c2)CCCC1 ZINC000921724374 1128669746 /nfs/dbraw/zinc/66/97/46/1128669746.db2.gz QQVCRKNQHRVNEJ-UHFFFAOYSA-N 0 3 335.473 3.547 20 30 EHEDHN N#Cc1cccc(OCCN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000554845549 1128715848 /nfs/dbraw/zinc/71/58/48/1128715848.db2.gz BNAMJZBYFVMWJT-INIZCTEOSA-N 0 3 338.373 3.992 20 30 EHEDHN COc1cccc([C@H](CNc2c(F)cc(C#N)cc2F)N(C)C)c1 ZINC000060196997 1128721307 /nfs/dbraw/zinc/72/13/07/1128721307.db2.gz WXCXWFAIHJQNBT-KRWDZBQOSA-N 0 3 331.366 3.560 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCCC3(C2)CCCCCC3)CC1 ZINC000465869501 1128814937 /nfs/dbraw/zinc/81/49/37/1128814937.db2.gz ZTZMDVCHDQFMOF-UHFFFAOYSA-N 0 3 333.520 3.783 20 30 EHEDHN CC[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000007547364 1128872324 /nfs/dbraw/zinc/87/23/24/1128872324.db2.gz CZZKXGAXTBLJNW-KUHUBIRLSA-N 0 3 337.423 3.635 20 30 EHEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC001648907738 1120074473 /nfs/dbraw/zinc/07/44/73/1120074473.db2.gz IACZWOZGQAZDFF-APWZRJJASA-N 0 3 330.472 3.549 20 30 EHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(F)c2cccnc12 ZINC000063753840 1128896972 /nfs/dbraw/zinc/89/69/72/1128896972.db2.gz PCDWHTMFRRAHRM-UHFFFAOYSA-N 0 3 349.409 3.894 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCSCC#N ZINC000185938286 1120436102 /nfs/dbraw/zinc/43/61/02/1120436102.db2.gz PDFXDVQFOLKCLD-PMPSAXMXSA-N 0 3 338.517 3.608 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000494404646 1120550981 /nfs/dbraw/zinc/55/09/81/1120550981.db2.gz KMVWZUYVVCDNFW-YTQUADARSA-N 0 3 327.472 3.572 20 30 EHEDHN COc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1OCC(C)C ZINC000193271911 1120768642 /nfs/dbraw/zinc/76/86/42/1120768642.db2.gz ATVPPMXJADJCEO-AWEZNQCLSA-N 0 3 344.436 3.985 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000032068958 1120880839 /nfs/dbraw/zinc/88/08/39/1120880839.db2.gz AYUHJYQVVQZRMU-CIPMJJFUSA-N 0 3 330.403 3.530 20 30 EHEDHN C#CCCc1noc(-c2cccc(CN(C)Cc3ccccc3)c2)n1 ZINC000761999735 1121052325 /nfs/dbraw/zinc/05/23/25/1121052325.db2.gz STGJSEFLZXLSKQ-UHFFFAOYSA-N 0 3 331.419 3.934 20 30 EHEDHN COc1ccc(Cl)cc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000193278008 1121059220 /nfs/dbraw/zinc/05/92/20/1121059220.db2.gz XOSGKQJTABRLHW-CYBMUJFWSA-N 0 3 340.766 3.909 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1coc2ccccc21 ZINC000113056464 1128972683 /nfs/dbraw/zinc/97/26/83/1128972683.db2.gz FIZWQZXGVCREGM-UHFFFAOYSA-N 0 3 347.418 3.508 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OCC)c(OC)c2)cc1 ZINC000153838477 1122045486 /nfs/dbraw/zinc/04/54/86/1122045486.db2.gz XXYSHUPSALPSSM-MRXNPFEDSA-N 0 3 339.435 3.957 20 30 EHEDHN COc1ccc(CN(C)CCCOc2cccc(C#N)c2)cc1F ZINC000763397543 1122227275 /nfs/dbraw/zinc/22/72/75/1122227275.db2.gz SPZQQCQTJDNWLH-UHFFFAOYSA-N 0 3 328.387 3.607 20 30 EHEDHN CC(C)(C)OC(=O)NC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000496991345 1122241919 /nfs/dbraw/zinc/24/19/19/1122241919.db2.gz AXXGBYMUJASNGR-UHFFFAOYSA-N 0 3 335.492 3.840 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC2CCCC2)cc1 ZINC000916947920 1122409120 /nfs/dbraw/zinc/40/91/20/1122409120.db2.gz CEGXCNCUAYZMAM-KBXCAEBGSA-N 0 3 342.439 3.807 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC[C@H]2CCCO2)cc1 ZINC000916948421 1122409418 /nfs/dbraw/zinc/40/94/18/1122409418.db2.gz GMQMBABAOSPRLC-QGTPRVQTSA-N 0 3 342.439 3.807 20 30 EHEDHN C=C(C)CN(C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000497259294 1122425452 /nfs/dbraw/zinc/42/54/52/1122425452.db2.gz DWBUHMKRQGCQEQ-UHFFFAOYSA-N 0 3 326.234 3.618 20 30 EHEDHN CCCCCCCc1ccc(-c2noc([C@@H]3CNCCN3C)n2)cc1 ZINC001212224723 1122525281 /nfs/dbraw/zinc/52/52/81/1122525281.db2.gz WAEHTWXFJMBPQM-SFHVURJKSA-N 0 3 342.487 3.826 20 30 EHEDHN CCCSCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000918486985 1122820094 /nfs/dbraw/zinc/82/00/94/1122820094.db2.gz NTIORYHAKWPIEQ-JTQLQIEISA-N 0 3 345.251 3.784 20 30 EHEDHN CCCC[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccc(OC)cc1 ZINC000556685132 1123082971 /nfs/dbraw/zinc/08/29/71/1123082971.db2.gz YMPIIDGONGZUEE-IBGZPJMESA-N 0 3 349.438 3.631 20 30 EHEDHN Cc1nn(C)c2ncc(CN(Cc3ccc(C#N)cc3)C(C)C)cc12 ZINC000194989232 1123096393 /nfs/dbraw/zinc/09/63/93/1123096393.db2.gz UTQVBSQPOSJXOU-UHFFFAOYSA-N 0 3 333.439 3.559 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1Cl ZINC000498978068 1123135460 /nfs/dbraw/zinc/13/54/60/1123135460.db2.gz JEIQJAXUASNYOD-GFCCVEGCSA-N 0 3 337.766 3.782 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)CCC(C)(C)c1ccccc1 ZINC000155081502 1123144698 /nfs/dbraw/zinc/14/46/98/1123144698.db2.gz OVMTVBPCDNSSGZ-KRWDZBQOSA-N 0 3 328.456 3.760 20 30 EHEDHN CC(C)(C#N)CCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000131820594 1123183513 /nfs/dbraw/zinc/18/35/13/1123183513.db2.gz IDUUHGYMBYHGOU-QGZVFWFLSA-N 0 3 328.460 3.602 20 30 EHEDHN N#CC(C(=O)CCc1nccs1)c1nc2ccccc2n1C(F)F ZINC000920113578 1123289799 /nfs/dbraw/zinc/28/97/99/1123289799.db2.gz YEKGCFPBDZBPHO-JTQLQIEISA-N 0 3 346.362 3.697 20 30 EHEDHN C#Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000920255706 1123344216 /nfs/dbraw/zinc/34/42/16/1123344216.db2.gz UMDZNWNOVMZGNJ-SFHVURJKSA-N 0 3 336.410 3.658 20 30 EHEDHN CCCNC(=O)C1(NCc2ccccc2C(C)(C)C#N)CCCCC1 ZINC000135275244 1123596466 /nfs/dbraw/zinc/59/64/66/1123596466.db2.gz KNKMKKAQAUYCOF-UHFFFAOYSA-N 0 3 341.499 3.806 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000609627429 1123628658 /nfs/dbraw/zinc/62/86/58/1123628658.db2.gz SBIHGWBGYKVRLK-CYBMUJFWSA-N 0 3 341.367 3.690 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000179787956 1123857993 /nfs/dbraw/zinc/85/79/93/1123857993.db2.gz IHIFZLKMDXKWPH-SFHVURJKSA-N 0 3 343.377 3.906 20 30 EHEDHN C[C@H](NCc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000181572986 1124934425 /nfs/dbraw/zinc/93/44/25/1124934425.db2.gz LJPXXIFCOIVWDN-MSOLQXFVSA-N 0 3 349.478 3.630 20 30 EHEDHN CC(C)(C#N)c1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000618312208 1125043688 /nfs/dbraw/zinc/04/36/88/1125043688.db2.gz LIZQRNXJQVROGN-ZBFHGGJFSA-N 0 3 340.389 3.623 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000615320861 1125192904 /nfs/dbraw/zinc/19/29/04/1125192904.db2.gz YQSZSHXTCPHYCB-DLBZAZTESA-N 0 3 330.472 3.714 20 30 EHEDHN COc1ccc(C)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182523945 1125327971 /nfs/dbraw/zinc/32/79/71/1125327971.db2.gz MQOAUXBXTROMRG-UHFFFAOYSA-N 0 3 335.451 3.952 20 30 EHEDHN Cn1cc(-c2ccc(CN[C@@H]3CCc4cc(C#N)ccc43)s2)cn1 ZINC000619747759 1125401195 /nfs/dbraw/zinc/40/11/95/1125401195.db2.gz RWAYBPJYTKEAGW-GOSISDBHSA-N 0 3 334.448 3.797 20 30 EHEDHN C=CCN1CCC(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC000171720013 1130082478 /nfs/dbraw/zinc/08/24/78/1130082478.db2.gz MRBCZUACFZGXMK-SHYIKFMPSA-N 0 3 330.516 3.750 20 30 EHEDHN N#Cc1ccc(CN(Cc2cc3ccccc3[nH]c2=O)C2CC2)cc1 ZINC000171921596 1130097556 /nfs/dbraw/zinc/09/75/56/1130097556.db2.gz JCLXJUNTJMBFLO-UHFFFAOYSA-N 0 3 329.403 3.564 20 30 EHEDHN C[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(C#N)cc1 ZINC000173992841 1130328959 /nfs/dbraw/zinc/32/89/59/1130328959.db2.gz LHEMOPANLICODW-QGZVFWFLSA-N 0 3 343.430 3.619 20 30 EHEDHN Cc1nc(-c2ccc(CCNCc3ccc(C#N)o3)s2)cs1 ZINC000174251317 1130344608 /nfs/dbraw/zinc/34/46/08/1130344608.db2.gz GFMKMGOYURCMGV-UHFFFAOYSA-N 0 3 329.450 3.977 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC000731136780 1130771947 /nfs/dbraw/zinc/77/19/47/1130771947.db2.gz VZDOALRLYXTDDA-IEBWSBKVSA-N 0 3 340.467 3.902 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCc3ccccc3C2)c1 ZINC000732592860 1130936659 /nfs/dbraw/zinc/93/66/59/1130936659.db2.gz CXKSOUXFFNBKKM-UZLBHIALSA-N 0 3 346.430 3.838 20 30 EHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000733324481 1131025840 /nfs/dbraw/zinc/02/58/40/1131025840.db2.gz DDWOINVYLSKETK-MRXNPFEDSA-N 0 3 337.419 3.711 20 30 EHEDHN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000733678636 1131067097 /nfs/dbraw/zinc/06/70/97/1131067097.db2.gz FOADDTGXNPWSBS-IIYDPXPESA-N 0 3 348.830 3.583 20 30 EHEDHN N#Cc1ccccc1/C=C\C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000739649371 1131508445 /nfs/dbraw/zinc/50/84/45/1131508445.db2.gz NIPNZULRQWEGHQ-SEYXRHQNSA-N 0 3 345.446 3.700 20 30 EHEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(Cl)ccc2OCC#N)C1(C)C ZINC000740887069 1131553589 /nfs/dbraw/zinc/55/35/89/1131553589.db2.gz PMMSMADNETUEAC-SJORKVTESA-N 0 3 336.863 3.878 20 30 EHEDHN CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979088 1131924601 /nfs/dbraw/zinc/92/46/01/1131924601.db2.gz BSYRQCKCPLNHPJ-IRXDYDNUSA-N 0 3 347.434 3.549 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC3(CCCC3)C2)cc1 ZINC000743864175 1131991877 /nfs/dbraw/zinc/99/18/77/1131991877.db2.gz JKBIFVXIWYWJAB-GOSISDBHSA-N 0 3 339.483 3.896 20 30 EHEDHN C=CCOC1CCC(N2CCN(c3ccccc3Cl)CC2)CC1 ZINC001173327808 1132048491 /nfs/dbraw/zinc/04/84/91/1132048491.db2.gz SSGNOSDRHLROLA-UHFFFAOYSA-N 0 3 334.891 3.976 20 30 EHEDHN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1C2CCCC1CCC2 ZINC000744407044 1132090612 /nfs/dbraw/zinc/09/06/12/1132090612.db2.gz RKBHYKPHIHHMSC-JCYILVPMSA-N 0 3 346.434 3.631 20 30 EHEDHN CCOc1ccccc1N1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173592329 1132097393 /nfs/dbraw/zinc/09/73/93/1132097393.db2.gz MZHFEMYTPZRZRQ-UHFFFAOYSA-N 0 3 327.472 3.680 20 30 EHEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccccc1F)[C@H]2CC ZINC001203348197 1132126947 /nfs/dbraw/zinc/12/69/47/1132126947.db2.gz MERBHHLPONZMLO-ICSRJNTNSA-N 0 3 330.447 3.747 20 30 EHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001175312489 1132635276 /nfs/dbraw/zinc/63/52/76/1132635276.db2.gz TXHYZXKAJHNFEQ-SKRQURTPSA-N 0 3 345.446 3.621 20 30 EHEDHN CCN1CCC(NC2=C(c3ccccc3)C(=O)c3ccccc32)CC1 ZINC001169231155 1132701575 /nfs/dbraw/zinc/70/15/75/1132701575.db2.gz SFRFGZCVNDGNLC-UHFFFAOYSA-N 0 3 332.447 3.825 20 30 EHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC(F)CC3)sc2C1 ZINC001175733317 1132747876 /nfs/dbraw/zinc/74/78/76/1132747876.db2.gz MFJOLXJRHUYBJF-GFCCVEGCSA-N 0 3 349.475 3.507 20 30 EHEDHN CC(C)[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000103329985 1132824583 /nfs/dbraw/zinc/82/45/83/1132824583.db2.gz QDGQNVWCYHOMOE-RTBURBONSA-N 0 3 340.467 3.974 20 30 EHEDHN C=CC[C@@H](NCc1cc(OC)c(OCC)c(OC)c1)c1ccncc1 ZINC001177884738 1133109477 /nfs/dbraw/zinc/10/94/77/1133109477.db2.gz IDGBKJJOPBGOHF-QGZVFWFLSA-N 0 3 342.439 3.905 20 30 EHEDHN CCc1nn(C)cc1CNCc1cccc(-c2ccc(C#N)s2)c1 ZINC000770738843 1133467721 /nfs/dbraw/zinc/46/77/21/1133467721.db2.gz ONUSNTOOUBVACV-UHFFFAOYSA-N 0 3 336.464 3.872 20 30 EHEDHN N#Cc1ccc(COC(=O)c2cccc(CN3CCCC3)c2)cc1F ZINC000785730228 1133742408 /nfs/dbraw/zinc/74/24/08/1133742408.db2.gz RZDNXZXTLAKGON-UHFFFAOYSA-N 0 3 338.382 3.650 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCOCC2)cc1 ZINC000786314959 1133836866 /nfs/dbraw/zinc/83/68/66/1133836866.db2.gz OEBFHETYDBCTSZ-LESCRADOSA-N 0 3 342.439 3.664 20 30 EHEDHN C=C(Br)CN[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000796651840 1133942695 /nfs/dbraw/zinc/94/26/95/1133942695.db2.gz BYNWIPSVANAUNK-CYZMBNFOSA-N 0 3 347.297 3.519 20 30 EHEDHN CN(C)Cc1ccc(C(=O)Nc2c(C#N)cccc2C(F)(F)F)cc1 ZINC001187295023 1134323776 /nfs/dbraw/zinc/32/37/76/1134323776.db2.gz KPYYRWXWWKFRKN-UHFFFAOYSA-N 0 3 347.340 3.891 20 30 EHEDHN N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001189750773 1134620857 /nfs/dbraw/zinc/62/08/57/1134620857.db2.gz UZJILZBNALXMCD-UHFFFAOYSA-N 0 3 345.349 3.668 20 30 EHEDHN N#Cc1ccc(F)c(F)c1NC(=O)c1ccc(CN2CCCCC2)o1 ZINC001189750773 1134620860 /nfs/dbraw/zinc/62/08/60/1134620860.db2.gz UZJILZBNALXMCD-UHFFFAOYSA-N 0 3 345.349 3.668 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(N2CCOC2=O)c1 ZINC000775375152 1134687833 /nfs/dbraw/zinc/68/78/33/1134687833.db2.gz IAOSSSUGFNXHSC-FQEVSTJZSA-N 0 3 347.418 3.682 20 30 EHEDHN CC[C@](C)(NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000775387817 1134702049 /nfs/dbraw/zinc/70/20/49/1134702049.db2.gz MPYREVPREAPPFW-IBGZPJMESA-N 0 3 325.412 3.622 20 30 EHEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(C1)CCCCC2 ZINC001191201540 1134815575 /nfs/dbraw/zinc/81/55/75/1134815575.db2.gz AGODGCHAYQVURG-WBTXTPOCSA-N 0 3 345.531 3.962 20 30 EHEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC001194505045 1135278925 /nfs/dbraw/zinc/27/89/25/1135278925.db2.gz JIQPXUCDEUEGMA-LEWJYISDSA-N 0 3 326.484 3.816 20 30 EHEDHN CC[C@H]1CC(N2CC(CC#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170485112 1135303247 /nfs/dbraw/zinc/30/32/47/1135303247.db2.gz TVUVHTMDUNWAMB-HOTGVXAUSA-N 0 3 335.492 3.789 20 30 EHEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@H](CC)c2ccccc2OCC)C1 ZINC001195946084 1135497906 /nfs/dbraw/zinc/49/79/06/1135497906.db2.gz GKWHWHHEQPFUHJ-IEBWSBKVSA-N 0 3 344.499 3.941 20 30 EHEDHN C#CCN(C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1)C1CCCCC1 ZINC000807445121 1135548272 /nfs/dbraw/zinc/54/82/72/1135548272.db2.gz OSLJNGGYAZTJFS-SJLPKXTDSA-N 0 3 345.487 3.686 20 30 EHEDHN C=CCN(C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)C(C)C ZINC000807587312 1135554313 /nfs/dbraw/zinc/55/43/13/1135554313.db2.gz DWCXRZZNSTVLIP-LJQANCHMSA-N 0 3 347.503 3.683 20 30 EHEDHN O=C(NCCN1CCCCC1)Nc1cccc(C#Cc2ccccc2)c1 ZINC001196695230 1135596868 /nfs/dbraw/zinc/59/68/68/1135596868.db2.gz JXTOVLPOCLPDQV-UHFFFAOYSA-N 0 3 347.462 3.694 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000808429824 1135674501 /nfs/dbraw/zinc/67/45/01/1135674501.db2.gz PMPGKRNOFPADJH-KUHUBIRLSA-N 0 3 344.842 3.844 20 30 EHEDHN CCOC(=O)[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@H]1C(F)(F)F ZINC001197523613 1135698072 /nfs/dbraw/zinc/69/80/72/1135698072.db2.gz LUUIAOYLJZZSSN-ZIAGYGMSSA-N 0 3 346.393 3.524 20 30 EHEDHN C#C[C@@H](NCCOC(c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000775794134 1135747823 /nfs/dbraw/zinc/74/78/23/1135747823.db2.gz PGBLZUPCRKNMKX-NHCUHLMSSA-N 0 3 335.447 3.563 20 30 EHEDHN COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1C ZINC001198260871 1135787439 /nfs/dbraw/zinc/78/74/39/1135787439.db2.gz SVSRTEMJUHESHK-CABCVRRESA-N 0 3 337.423 3.553 20 30 EHEDHN N#Cc1ccc(OCCCN2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000775895309 1135861523 /nfs/dbraw/zinc/86/15/23/1135861523.db2.gz MAMGNZLSKDACEX-JOCHJYFZSA-N 0 3 348.446 3.849 20 30 EHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128186 1135925030 /nfs/dbraw/zinc/92/50/30/1135925030.db2.gz DTUDNEVUUDNRJD-INIZCTEOSA-N 0 3 333.435 3.926 20 30 EHEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000810215446 1135938297 /nfs/dbraw/zinc/93/82/97/1135938297.db2.gz FLVGMRSDVIHSHI-ZWKOTPCHSA-N 0 3 346.352 3.585 20 30 EHEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000776078116 1135948809 /nfs/dbraw/zinc/94/88/09/1135948809.db2.gz UFXXKHKYATXFGL-CVEARBPZSA-N 0 3 344.842 3.528 20 30 EHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1(CCF)CC1 ZINC000810530454 1135970271 /nfs/dbraw/zinc/97/02/71/1135970271.db2.gz CMDWOSLGIWOSMV-SNVBAGLBSA-N 0 3 343.185 3.781 20 30 EHEDHN CCCCCCCN1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001201762882 1136061278 /nfs/dbraw/zinc/06/12/78/1136061278.db2.gz YIJVGDDMCYMUAJ-XUVXKRRUSA-N 0 3 339.520 3.632 20 30 EHEDHN CCCc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001201963757 1136079358 /nfs/dbraw/zinc/07/93/58/1136079358.db2.gz VNJHUWSIRQTKJQ-NRFANRHFSA-N 0 3 347.462 3.796 20 30 EHEDHN COCc1csc(CNCc2ccc(N(C)CCC#N)cc2)c1 ZINC000850377886 1136245442 /nfs/dbraw/zinc/24/54/42/1136245442.db2.gz MRZVSKNOXLBFEF-UHFFFAOYSA-N 0 3 329.469 3.534 20 30 EHEDHN CC(COC(=O)c1ccc(Sc2ccccc2C#N)cc1)[N+](=O)[O-] ZINC000813115270 1136294752 /nfs/dbraw/zinc/29/47/52/1136294752.db2.gz OCDVTLBCPGXOPP-GFCCVEGCSA-N 0 3 342.376 3.531 20 30 EHEDHN Cc1ccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000813213732 1136303873 /nfs/dbraw/zinc/30/38/73/1136303873.db2.gz OYJRCVOKQAUDGM-CQSZACIVSA-N 0 3 334.297 3.664 20 30 EHEDHN CC1CCC(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CC1 ZINC000813218535 1136304651 /nfs/dbraw/zinc/30/46/51/1136304651.db2.gz QBTNKPOPQCLUFP-UBHUBRDASA-N 0 3 340.345 3.872 20 30 EHEDHN C=CCC(C)(C)CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000814508840 1136464055 /nfs/dbraw/zinc/46/40/55/1136464055.db2.gz SBRMTEPPBVYNKU-UHFFFAOYSA-N 0 3 344.503 3.552 20 30 EHEDHN C=C(Br)CN[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852732253 1136481886 /nfs/dbraw/zinc/48/18/86/1136481886.db2.gz SSYSIJHULYRTCG-KBPBESRZSA-N 0 3 332.669 3.896 20 30 EHEDHN C#CCCN(CCOC)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000852751806 1136483547 /nfs/dbraw/zinc/48/35/47/1136483547.db2.gz FZDCNYSQYVYNFW-UHFFFAOYSA-N 0 3 341.451 3.697 20 30 EHEDHN CC1(C)Cc2c(cnn2-c2ccccc2)CN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000854062003 1136584969 /nfs/dbraw/zinc/58/49/69/1136584969.db2.gz ROHPWKSMIDKIFW-APWZRJJASA-N 0 3 334.467 3.949 20 30 EHEDHN CCN(CCN[C@H](C)c1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000776734762 1136613479 /nfs/dbraw/zinc/61/34/79/1136613479.db2.gz BWCWOYXVKJWZHO-CYBMUJFWSA-N 0 3 335.423 3.605 20 30 EHEDHN C=C[C@H](CC)CC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC001135450031 1136686964 /nfs/dbraw/zinc/68/69/64/1136686964.db2.gz BKVKSEYESARRTM-APWZRJJASA-N 0 3 330.472 3.551 20 30 EHEDHN N#CC1(CN[C@@H]2CCc3ccc(Br)cc3C2)CCCC1 ZINC001170844134 1136757607 /nfs/dbraw/zinc/75/76/07/1136757607.db2.gz HZHSFJQEBDYODT-MRXNPFEDSA-N 0 3 333.273 3.980 20 30 EHEDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1Cc1ccc(OCC#N)cc1 ZINC000817276541 1136793108 /nfs/dbraw/zinc/79/31/08/1136793108.db2.gz HZTAQGZFSIJBKX-WBVHZDCISA-N 0 3 344.455 3.531 20 30 EHEDHN COc1ccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)C2CC2)cn1 ZINC000858604717 1136982127 /nfs/dbraw/zinc/98/21/27/1136982127.db2.gz OMSLLHCJWIFICV-JLTOFOAXSA-N 0 3 337.423 3.794 20 30 EHEDHN Cc1nc(Cl)ccc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000821621137 1137033919 /nfs/dbraw/zinc/03/39/19/1137033919.db2.gz IDPVRNXFKMYCLD-GFCCVEGCSA-N 0 3 325.755 3.604 20 30 EHEDHN C#CCOc1ccc([C@H](C)NC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000777235259 1137134892 /nfs/dbraw/zinc/13/48/92/1137134892.db2.gz OKTXUZYOGNJULT-HNNXBMFYSA-N 0 3 335.403 3.767 20 30 EHEDHN CN(CCc1c(F)cccc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000844369280 1137215996 /nfs/dbraw/zinc/21/59/96/1137215996.db2.gz JXXNCTUBVHPXBZ-SFHVURJKSA-N 0 3 332.806 3.559 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCCO2)cc1 ZINC000120028640 1137225240 /nfs/dbraw/zinc/22/52/40/1137225240.db2.gz KOXSUHKRUOKXFR-ROUUACIJSA-N 0 3 342.439 3.636 20 30 EHEDHN N#Cc1cncc(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001144079621 1137237015 /nfs/dbraw/zinc/23/70/15/1137237015.db2.gz XXHJEWWHUWFHEV-INIZCTEOSA-N 0 3 331.341 3.962 20 30 EHEDHN Cn1cncc1-c1cccc(NC(=N)c2ccc3cc(O)ccc3c2)c1 ZINC001171182905 1137293593 /nfs/dbraw/zinc/29/35/93/1137293593.db2.gz WHCBBJHQDSCSPE-UHFFFAOYSA-N 0 3 342.402 3.983 20 30 EHEDHN CCC[C@@H]1CCCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000120989441 1137340289 /nfs/dbraw/zinc/34/02/89/1137340289.db2.gz UORLFUPWWKZPSR-NVXWUHKLSA-N 0 3 348.450 3.736 20 30 EHEDHN N#CC1(c2ccccc2)CC(NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000126170204 1137386471 /nfs/dbraw/zinc/38/64/71/1137386471.db2.gz QHSKACVEHXCGQV-UHFFFAOYSA-N 0 3 346.409 3.725 20 30 EHEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2cccc(F)n2)ccc1[O-] ZINC000795007869 1137406150 /nfs/dbraw/zinc/40/61/50/1137406150.db2.gz OXLNYMOKGZRUSJ-UHFFFAOYSA-N 0 3 330.407 3.604 20 30 EHEDHN C[C@@H](C#N)c1cccc(C(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC001148607844 1137428585 /nfs/dbraw/zinc/42/85/85/1137428585.db2.gz RHBPCTSPLATQCY-KRWDZBQOSA-N 0 3 339.483 3.652 20 30 EHEDHN C[C@@H](C#N)c1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC001148624696 1137429904 /nfs/dbraw/zinc/42/99/04/1137429904.db2.gz QFJLSQMYGSAKSM-LAUBAEHRSA-N 0 3 347.462 3.881 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1C#N ZINC000773079273 1137463603 /nfs/dbraw/zinc/46/36/03/1137463603.db2.gz YBVSTXQEUMPQER-ZDUSSCGKSA-N 0 3 349.434 3.647 20 30 EHEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H](CO)CC(F)(F)F)cc1 ZINC000773106823 1137465904 /nfs/dbraw/zinc/46/59/04/1137465904.db2.gz LYCRDJMMOAHGGB-YPMHNXCESA-N 0 3 337.769 3.782 20 30 EHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C2CCCCC2)C1 ZINC001171799761 1137513074 /nfs/dbraw/zinc/51/30/74/1137513074.db2.gz RNXXTOULWMSQQN-YJBOKZPZSA-N 0 3 325.456 3.787 20 30 EHEDHN C#CCN(CC#C)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172060783 1137528581 /nfs/dbraw/zinc/52/85/81/1137528581.db2.gz HANGRAIDILTMFQ-SFHVURJKSA-N 0 3 344.499 3.657 20 30 EHEDHN CCN(CCC#N)C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172212036 1137541654 /nfs/dbraw/zinc/54/16/54/1137541654.db2.gz HYUGFUMYPNHCLZ-UHFFFAOYSA-N 0 3 348.874 3.929 20 30 EHEDHN CCCCCCC[C@@H](CC)N1CCO[C@]2(CCCN(C(C)=O)C2)C1 ZINC001172355062 1137554188 /nfs/dbraw/zinc/55/41/88/1137554188.db2.gz MEQGHOLHNVPINV-UXHICEINSA-N 0 3 338.536 3.839 20 30 EHEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1c[nH]c3c1cccc3F)C2 ZINC001137056406 1137571110 /nfs/dbraw/zinc/57/11/10/1137571110.db2.gz TYBDWGNMAIEDAY-UZLBHIALSA-N 0 3 344.430 3.633 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)C2CCC=CCC2)cc1Cl ZINC000873497337 1137601090 /nfs/dbraw/zinc/60/10/90/1137601090.db2.gz FIWSNMFKQDNFRN-CQSZACIVSA-N 0 3 346.814 3.742 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000876685063 1137659046 /nfs/dbraw/zinc/65/90/46/1137659046.db2.gz MOIXKRUTMXFIBT-ZDUSSCGKSA-N 0 3 346.780 3.671 20 30 EHEDHN CC(C)(C)OC(=O)NCc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000877621873 1137683369 /nfs/dbraw/zinc/68/33/69/1137683369.db2.gz BIJQUCNOCCNSOP-INIZCTEOSA-N 0 3 343.471 3.837 20 30 EHEDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1OCCCC#N ZINC000877757087 1137688292 /nfs/dbraw/zinc/68/82/92/1137688292.db2.gz FPXOZIYCAKIALY-HNNXBMFYSA-N 0 3 340.423 3.934 20 30 EHEDHN N#Cc1cccc(OC2CCN(C[C@H]3CCC4(CCC4)O3)CC2)c1 ZINC000878056261 1137700911 /nfs/dbraw/zinc/70/09/11/1137700911.db2.gz QLVPFAQWGHEEMV-LJQANCHMSA-N 0 3 326.440 3.503 20 30 EHEDHN C=CCCC[C@H](C(=O)NC1CCN(CC=C)CC1)c1ccccc1 ZINC000878750415 1137727135 /nfs/dbraw/zinc/72/71/35/1137727135.db2.gz DOGHQCUEXNZLBU-FQEVSTJZSA-N 0 3 326.484 3.893 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648216 1137753497 /nfs/dbraw/zinc/75/34/97/1137753497.db2.gz FFYNQEBDHYHIKJ-CABCVRRESA-N 0 3 344.480 3.708 20 30 EHEDHN CCOC(=O)c1sc(C2CCN(CCCCC#N)CC2)nc1C ZINC000879679321 1137755042 /nfs/dbraw/zinc/75/50/42/1137755042.db2.gz JMNDQPWXVZCJRZ-UHFFFAOYSA-N 0 3 335.473 3.502 20 30 EHEDHN N#Cc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000074274213 1137832765 /nfs/dbraw/zinc/83/27/65/1137832765.db2.gz VKNUOFQANUZQJN-IBGZPJMESA-N 0 3 334.423 3.517 20 30 EHEDHN C=CCCC[C@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000883325218 1137854853 /nfs/dbraw/zinc/85/48/53/1137854853.db2.gz SVSRZOMWGPHXPZ-IBGZPJMESA-N 0 3 344.480 3.521 20 30 EHEDHN CCOc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1OC ZINC000105487569 1137881080 /nfs/dbraw/zinc/88/10/80/1137881080.db2.gz ACRWGJSEZJJQLQ-HNNXBMFYSA-N 0 3 340.423 3.847 20 30 EHEDHN N#Cc1cc(CNC[C@@H](O)c2c(Cl)cccc2Cl)cs1 ZINC001202579790 1137882055 /nfs/dbraw/zinc/88/20/55/1137882055.db2.gz RDCXJZOCXCIVJN-CYBMUJFWSA-N 0 3 327.236 3.750 20 30 EHEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(Nc3ccccc3)cc1)C2 ZINC000884048343 1137898990 /nfs/dbraw/zinc/89/89/90/1137898990.db2.gz IEKMYKGJBTZFRE-TZQQIIETSA-N 0 3 346.434 3.508 20 30 EHEDHN CSc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1C#N ZINC000886278507 1138063714 /nfs/dbraw/zinc/06/37/14/1138063714.db2.gz AVQKSSWLNPMNOC-UHFFFAOYSA-N 0 3 329.444 3.775 20 30 EHEDHN C#CCN(C(=O)C1CCC(c2ccccc2)CC1)C1CCN(C)CC1 ZINC000886581317 1138099094 /nfs/dbraw/zinc/09/90/94/1138099094.db2.gz SFIKMJVWLHDZKG-UHFFFAOYSA-N 0 3 338.495 3.516 20 30 EHEDHN C[C@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1ccccc1SCC#N ZINC000072663554 1138106926 /nfs/dbraw/zinc/10/69/26/1138106926.db2.gz ORAXPWRGJQUMGH-UXLLHSPISA-N 0 3 343.496 3.894 20 30 EHEDHN CSc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1C#N ZINC000886688307 1138115703 /nfs/dbraw/zinc/11/57/03/1138115703.db2.gz OLAZBSPPUJDIOO-JCQPUDPBSA-N 0 3 344.505 3.868 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000886763728 1138135135 /nfs/dbraw/zinc/13/51/35/1138135135.db2.gz CRRSVVUCHBZLIB-UHFFFAOYSA-N 0 3 338.451 3.564 20 30 EHEDHN CN(C)C(=O)Sc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000084070942 1138177315 /nfs/dbraw/zinc/17/73/15/1138177315.db2.gz BSHLCWKCRUNEJL-UHFFFAOYSA-N 0 3 339.464 3.964 20 30 EHEDHN N#Cc1ccccc1N1CCCN(Cc2cnc3ccccc3c2)CC1 ZINC000337132519 1138474617 /nfs/dbraw/zinc/47/46/17/1138474617.db2.gz LNHWBPAJVYOHNX-UHFFFAOYSA-N 0 3 342.446 3.819 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000173995690 1139391900 /nfs/dbraw/zinc/39/19/00/1139391900.db2.gz HQLMWNHCCSZHGO-UHFFFAOYSA-N 0 3 341.377 3.563 20 30 EHEDHN CC(=O)[C@H](C)SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000175196006 1139471215 /nfs/dbraw/zinc/47/12/15/1139471215.db2.gz JGFAVEZMEBBYKL-GXTWGEPZSA-N 0 3 344.461 3.697 20 30 EHEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180559390 1139846838 /nfs/dbraw/zinc/84/68/38/1139846838.db2.gz IJFKYVHPSMDALS-GOSISDBHSA-N 0 3 325.368 3.738 20 30 EHEDHN C=CCOc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000188254804 1140288904 /nfs/dbraw/zinc/28/89/04/1140288904.db2.gz VCEVHYPOMDQPBO-SFHVURJKSA-N 0 3 331.456 3.651 20 30 EHEDHN CN(c1ccc(CNCc2cc(C#N)n(C)c2)cc1)C1CCCCC1 ZINC000190903028 1140424672 /nfs/dbraw/zinc/42/46/72/1140424672.db2.gz OTQWFFUVWHTKLS-UHFFFAOYSA-N 0 3 336.483 3.955 20 30 EHEDHN CCN1CCN(c2ccc(N[C@@H]3CCC[C@H](C#N)C3)c(C)c2)CC1 ZINC000193072632 1140562489 /nfs/dbraw/zinc/56/24/89/1140562489.db2.gz LZAZPARSWPZJOV-ZWKOTPCHSA-N 0 3 326.488 3.631 20 30 EHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(CC#N)cc1 ZINC000270351814 1141210527 /nfs/dbraw/zinc/21/05/27/1141210527.db2.gz CMGIKDZYCYEDAK-CTNGQTDRSA-N 0 3 345.446 3.509 20 30 EHEDHN Cc1nc2c(n1[C@@H]1CCN(Cc3ccc(F)c(C#N)c3)C1)CCCC2 ZINC000275352635 564008760 /nfs/dbraw/zinc/00/87/60/564008760.db2.gz UJQXQURAIQULSJ-QGZVFWFLSA-N 0 3 338.430 3.528 20 30 EHEDHN CC[N@H+](CCCC(C)(C)C#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821206797 945653470 /nfs/dbraw/zinc/65/34/70/945653470.db2.gz FLRLFGUBPZVLMM-CQSZACIVSA-N 0 3 326.448 3.580 20 30 EHEDHN CC[N@@H+](CCCC(C)(C)C#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821206797 945653477 /nfs/dbraw/zinc/65/34/77/945653477.db2.gz FLRLFGUBPZVLMM-CQSZACIVSA-N 0 3 326.448 3.580 20 30 EHEDHN CC[N@H+](CCCC(C)(C)C#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821206797 945653489 /nfs/dbraw/zinc/65/34/89/945653489.db2.gz FLRLFGUBPZVLMM-CQSZACIVSA-N 0 3 326.448 3.580 20 30 EHEDHN CC[N@@H+](CCCC(C)(C)C#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821206797 945653503 /nfs/dbraw/zinc/65/35/03/945653503.db2.gz FLRLFGUBPZVLMM-CQSZACIVSA-N 0 3 326.448 3.580 20 30 EHEDHN CCN1CCN(Cc2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2)CC1 ZINC000183180728 1125466276 /nfs/dbraw/zinc/46/62/76/1125466276.db2.gz VNNMKAKCKCMXBH-SFHVURJKSA-N 0 3 348.494 3.869 20 30 EHEDHN CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000274596776 1014292917 /nfs/dbraw/zinc/29/29/17/1014292917.db2.gz KWBRXGLVLKUCTF-GOSISDBHSA-N 0 3 333.476 3.966 20 30 EHEDHN C[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000274694596 1014555343 /nfs/dbraw/zinc/55/53/43/1014555343.db2.gz MFPSDUSCNUVSRI-KXBFYZLASA-N 0 3 336.439 3.566 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000127031499 1015179400 /nfs/dbraw/zinc/17/94/00/1015179400.db2.gz ULECGCOZNCIAHB-FQEVSTJZSA-N 0 3 347.462 3.603 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)Cc2c(C)nn(C)c2C)c([O-])c1 ZINC000254987985 1015346370 /nfs/dbraw/zinc/34/63/70/1015346370.db2.gz XSSMEYYVQZDLHQ-SFDYMUJDSA-N 0 3 342.487 3.639 20 30 EHEDHN N#Cc1ccc(CCN2CC[C@H](Oc3cc(F)ccc3F)C2)cc1 ZINC001208926061 1015615913 /nfs/dbraw/zinc/61/59/13/1015615913.db2.gz HFYCYAWNZBDJAW-KRWDZBQOSA-N 0 3 328.362 3.532 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3occ(C)c3c2)CC1 ZINC000187954625 1015625342 /nfs/dbraw/zinc/62/53/42/1015625342.db2.gz FMCCHSGIMDEHEX-UHFFFAOYSA-N 0 3 327.428 3.903 20 30 EHEDHN C=CCOc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1OC ZINC000047460322 1016081737 /nfs/dbraw/zinc/08/17/37/1016081737.db2.gz ACPQVRCHLQHNKU-UHFFFAOYSA-N 0 3 340.423 3.574 20 30 EHEDHN C=CCCCCCCCN1CCCn2nc(C(=O)OCC)cc2C1 ZINC001209438648 1016284510 /nfs/dbraw/zinc/28/45/10/1016284510.db2.gz QZLCOIBGLLCCEK-UHFFFAOYSA-N 0 3 333.476 3.792 20 30 EHEDHN Cc1ccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)N(C)C)cc1 ZINC000120825410 1016332839 /nfs/dbraw/zinc/33/28/39/1016332839.db2.gz QOPABFZKVUFVOI-BOURKTIISA-N 0 3 333.435 3.971 20 30 EHEDHN Cc1ccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)N(C)C)cc1 ZINC000120825282 1016332905 /nfs/dbraw/zinc/33/29/05/1016332905.db2.gz QOPABFZKVUFVOI-CCULFSDZSA-N 0 3 333.435 3.971 20 30 EHEDHN COc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1Br ZINC000189586061 1016563130 /nfs/dbraw/zinc/56/31/30/1016563130.db2.gz IAODBCUSXIPBKZ-NSHDSACASA-N 0 3 348.244 3.519 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cccc(SCC#N)c2)c1 ZINC000340334480 1016959629 /nfs/dbraw/zinc/95/96/29/1016959629.db2.gz OGUBGVKPMAONOC-UHFFFAOYSA-N 0 3 339.464 3.925 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CCC4(CCC4)CO3)nc21 ZINC000892706618 1016980698 /nfs/dbraw/zinc/98/06/98/1016980698.db2.gz VRTJBHYGQNOAED-LSDHHAIUSA-N 0 3 337.423 3.787 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000594429570 1033365685 /nfs/dbraw/zinc/36/56/85/1033365685.db2.gz RLYQTEVHHCPMCP-NSHDSACASA-N 0 3 345.390 3.691 20 30 EHEDHN N#Cc1ccc(OCCNCc2cnc(-c3ccsc3)s2)cc1 ZINC000084672801 1032447811 /nfs/dbraw/zinc/44/78/11/1032447811.db2.gz XBXXRUBOISTGTC-UHFFFAOYSA-N 0 3 341.461 3.912 20 30 EHEDHN CC(C)[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1F ZINC000594445229 1033377758 /nfs/dbraw/zinc/37/77/58/1033377758.db2.gz INIIZZCEIXPLRE-JKSUJKDBSA-N 0 3 339.842 3.704 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1cccs1 ZINC000537075313 1032508428 /nfs/dbraw/zinc/50/84/28/1032508428.db2.gz OYMUIAGTNYTBFX-MSOLQXFVSA-N 0 3 335.517 3.869 20 30 EHEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)nc1 ZINC000683689147 1018019356 /nfs/dbraw/zinc/01/93/56/1018019356.db2.gz NOPIKWYADOMXEO-INIZCTEOSA-N 0 3 331.375 3.907 20 30 EHEDHN C=CCCc1ccccc1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415669282 1018372424 /nfs/dbraw/zinc/37/24/24/1018372424.db2.gz FUKRQYSQGUUYRK-FQEVSTJZSA-N 0 3 335.451 3.814 20 30 EHEDHN N#Cc1csc(CNCc2ccc(NC(=O)c3cccnc3)cc2)c1 ZINC000177693271 1018522655 /nfs/dbraw/zinc/52/26/55/1018522655.db2.gz TZCUCKCCVJPKEB-UHFFFAOYSA-N 0 3 348.431 3.557 20 30 EHEDHN C=CCOc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000471538612 1018631716 /nfs/dbraw/zinc/63/17/16/1018631716.db2.gz JDNBYVSITQNCRQ-UZLBHIALSA-N 0 3 338.451 3.673 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000119256806 1019801596 /nfs/dbraw/zinc/80/15/96/1019801596.db2.gz YVODVDTYQMVFPP-UHFFFAOYSA-N 0 3 334.467 3.966 20 30 EHEDHN C=C[C@@](C)(CC)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473534021 1019940425 /nfs/dbraw/zinc/94/04/25/1019940425.db2.gz XVQBCPGEDKSJKY-XUJLQICISA-N 0 3 332.410 3.510 20 30 EHEDHN N#Cc1nnc2ccccc2c1NC[C@H](c1cccs1)N1CCCC1 ZINC000077187389 1020119415 /nfs/dbraw/zinc/11/94/15/1020119415.db2.gz CUKLEZYJJURBGU-QGZVFWFLSA-N 0 3 349.463 3.812 20 30 EHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345301704 1020138742 /nfs/dbraw/zinc/13/87/42/1020138742.db2.gz QEMPVJMFCLACRK-RBSFLKMASA-N 0 3 346.500 3.685 20 30 EHEDHN Cc1cccc(CC2(O)CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000280303281 1020296090 /nfs/dbraw/zinc/29/60/90/1020296090.db2.gz FVKYLYOCPKXXHS-GOSISDBHSA-N 0 3 334.463 3.997 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000175986586 1020568042 /nfs/dbraw/zinc/56/80/42/1020568042.db2.gz DRMHWROTCJQHSF-AWEZNQCLSA-N 0 3 339.395 3.911 20 30 EHEDHN CCN1CCN(c2ccc(NC3CCC(C#N)CC3)c(C)c2)CC1 ZINC000602493091 1032919028 /nfs/dbraw/zinc/91/90/28/1032919028.db2.gz JXRBZOZKWAHMAE-UHFFFAOYSA-N 0 3 326.488 3.631 20 30 EHEDHN Cc1ccc(CN(CC(C)C)C(=O)[C@H](N)CCCCC#N)c(C)c1 ZINC000602523959 1032936111 /nfs/dbraw/zinc/93/61/11/1032936111.db2.gz JNTQAXSKTRBJBI-LJQANCHMSA-N 0 3 329.488 3.699 20 30 EHEDHN N#Cc1cccc(CNC[C@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000602510059 1032945885 /nfs/dbraw/zinc/94/58/85/1032945885.db2.gz ITPLWUHNDYMLQD-LJQANCHMSA-N 0 3 340.858 3.533 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccnc(OC2CCCC2)c1 ZINC000602508631 1032943464 /nfs/dbraw/zinc/94/34/64/1032943464.db2.gz CRVPYMVXEKDZEF-MRXNPFEDSA-N 0 3 343.471 3.592 20 30 EHEDHN CC[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[C@H]1c1ccccc1 ZINC000592504946 1032953740 /nfs/dbraw/zinc/95/37/40/1032953740.db2.gz NALGIXKDLKXHCO-YLJYHZDGSA-N 0 3 345.450 3.617 20 30 EHEDHN C=CCOCCCN[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000656685363 1021171320 /nfs/dbraw/zinc/17/13/20/1021171320.db2.gz PBCIUNOKPRNPIY-HXUWFJFHSA-N 0 3 338.451 3.857 20 30 EHEDHN CC[C@](C)(O)CN(Cc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000439272161 1021307743 /nfs/dbraw/zinc/30/77/43/1021307743.db2.gz ZAEIBZLRUMMPPU-NRFANRHFSA-N 0 3 338.451 3.730 20 30 EHEDHN C=C(Br)CN[C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000792969605 1021932736 /nfs/dbraw/zinc/93/27/36/1021932736.db2.gz MLVGCCMRXVTIHD-VXGBXAGGSA-N 0 3 328.250 3.694 20 30 EHEDHN CN(CCOc1cccc(Br)c1)Cc1ccc(C#N)cc1 ZINC000506130968 1022141433 /nfs/dbraw/zinc/14/14/33/1022141433.db2.gz LKNHGMOHGCUAJA-UHFFFAOYSA-N 0 3 345.240 3.832 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441320717 1022149636 /nfs/dbraw/zinc/14/96/36/1022149636.db2.gz AJYLFQFTSYWSQW-FXAWDEMLSA-N 0 3 343.515 3.703 20 30 EHEDHN N#CC1CCC(CNCc2nnn(-c3ccccc3)c2C2CC2)CC1 ZINC000602654579 1033054343 /nfs/dbraw/zinc/05/43/43/1033054343.db2.gz IAXJPGOLQDOHTJ-UHFFFAOYSA-N 0 3 335.455 3.564 20 30 EHEDHN N#Cc1ccccc1N1CCCN(CCc2ccccc2Cl)CC1 ZINC000058907613 1033061044 /nfs/dbraw/zinc/06/10/44/1033061044.db2.gz GBVZETJCJTWVMH-UHFFFAOYSA-N 0 3 339.870 3.966 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000341611098 1022554317 /nfs/dbraw/zinc/55/43/17/1022554317.db2.gz ZRRGFYXHHXMWPM-SJLPKXTDSA-N 0 3 329.488 3.762 20 30 EHEDHN O=C(Nc1cccc(OCC(F)F)n1)[C@H]1CCCN1C1CCCC1 ZINC000328969611 1022555947 /nfs/dbraw/zinc/55/59/47/1022555947.db2.gz OERIOPLTNCNEDP-CYBMUJFWSA-N 0 3 339.386 3.721 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(CC)ccc2CC)CC1 ZINC000438850162 1023087258 /nfs/dbraw/zinc/08/72/58/1023087258.db2.gz GUESSGOFGUERNF-UHFFFAOYSA-N 0 3 329.488 3.973 20 30 EHEDHN C=CCOc1ccc(CN2CCC(OCCOC(C)C)CC2)cc1 ZINC000449724089 1033111110 /nfs/dbraw/zinc/11/11/10/1033111110.db2.gz GPUHOXZYULVEFV-UHFFFAOYSA-N 0 3 333.472 3.657 20 30 EHEDHN Cc1cccc(NC(=O)C[C@H](C)NCc2ccc(C#N)c(F)c2)c1C ZINC000449736940 1033134089 /nfs/dbraw/zinc/13/40/89/1033134089.db2.gz PFNKKJLWFFSRHC-AWEZNQCLSA-N 0 3 339.414 3.821 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccccc1 ZINC000341946718 1023713485 /nfs/dbraw/zinc/71/34/85/1023713485.db2.gz QPFTXGQRJCBKMF-LJQANCHMSA-N 0 3 344.405 3.878 20 30 EHEDHN C=CCC[C@H](NCC(=O)Nc1nc2c(s1)CCC2)c1ccccc1 ZINC000341948540 1023715866 /nfs/dbraw/zinc/71/58/66/1023715866.db2.gz USFZTZYADOOLIR-HNNXBMFYSA-N 0 3 341.480 3.867 20 30 EHEDHN COCC1(C#N)CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000341975605 1023729542 /nfs/dbraw/zinc/72/95/42/1023729542.db2.gz JNSOORJTRQWODM-UHFFFAOYSA-N 0 3 345.446 3.977 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000187688708 1023830898 /nfs/dbraw/zinc/83/08/98/1023830898.db2.gz IFGKLRYAVGLHFM-MRXNPFEDSA-N 0 3 339.483 3.780 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC=C(C)C ZINC000657237066 1024182988 /nfs/dbraw/zinc/18/29/88/1024182988.db2.gz DIWJFQLWNRQLMR-UHFFFAOYSA-N 0 3 334.533 3.941 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC1CCC1 ZINC000657238256 1024186208 /nfs/dbraw/zinc/18/62/08/1024186208.db2.gz PLDSLPUSNBAJJD-UHFFFAOYSA-N 0 3 334.533 3.775 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)c1ccc(F)c(C#N)c1)c1ccsc1 ZINC000346131050 1024434440 /nfs/dbraw/zinc/43/44/40/1024434440.db2.gz AXFPPIDMFUSSLF-QGZVFWFLSA-N 0 3 345.443 3.572 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000520693508 1024438195 /nfs/dbraw/zinc/43/81/95/1024438195.db2.gz AJFZKKNXHJBOND-CYBMUJFWSA-N 0 3 338.904 3.587 20 30 EHEDHN C[C@@H](NCc1ccc(Cn2cccn2)cc1)c1ccc(C#N)c(F)c1 ZINC000346158092 1024458791 /nfs/dbraw/zinc/45/87/91/1024458791.db2.gz HLVCOKVQBFPQDX-OAHLLOKOSA-N 0 3 334.398 3.793 20 30 EHEDHN Cc1cc(C)cc([C@@H](C)N[C@@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000434880562 1024479256 /nfs/dbraw/zinc/47/92/56/1024479256.db2.gz PCTUGJMJPRLAMP-RHSMWYFYSA-N 0 3 339.464 3.693 20 30 EHEDHN COCCNc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000346193958 1024514023 /nfs/dbraw/zinc/51/40/23/1024514023.db2.gz NNNGYYYNIASZDZ-AWEZNQCLSA-N 0 3 327.403 3.606 20 30 EHEDHN C[C@@H](NCc1cccc(Cn2cccn2)c1)c1ccc(C#N)c(F)c1 ZINC000346196788 1024517931 /nfs/dbraw/zinc/51/79/31/1024517931.db2.gz PHYPIYUXHFUWPI-OAHLLOKOSA-N 0 3 334.398 3.793 20 30 EHEDHN C[C@H]1C[C@H](c2ccccc2)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000522418996 1024536982 /nfs/dbraw/zinc/53/69/82/1024536982.db2.gz YEHSYLOANYILCG-HKUYNNGSSA-N 0 3 339.483 3.549 20 30 EHEDHN C=CCCC[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000895636858 1024681066 /nfs/dbraw/zinc/68/10/66/1024681066.db2.gz AVPHZOLQXWGYPO-LJQANCHMSA-N 0 3 331.423 3.788 20 30 EHEDHN CN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccccc1 ZINC000281221550 1024760253 /nfs/dbraw/zinc/76/02/53/1024760253.db2.gz OJICSPWRPFSMNV-UXHICEINSA-N 0 3 347.462 3.663 20 30 EHEDHN N#Cc1ccc(C2CCN(Cc3ccc(OC(F)F)cc3)CC2)nc1 ZINC000602909201 1033240630 /nfs/dbraw/zinc/24/06/30/1033240630.db2.gz IWNXQQAMMNPNLS-UHFFFAOYSA-N 0 3 343.377 3.934 20 30 EHEDHN C=CCN1CCC(N[C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000346569708 1024875419 /nfs/dbraw/zinc/87/54/19/1024875419.db2.gz VOQDBGJNYXMRPI-FQEVSTJZSA-N 0 3 343.421 3.689 20 30 EHEDHN Cc1nc2c(n1[C@@H]1CCN([C@@H](C)C(=O)NC3CCCC3)C1)CCCC2 ZINC000330343358 1025028793 /nfs/dbraw/zinc/02/87/93/1025028793.db2.gz BXLYNJKJNYWWJK-WMLDXEAASA-N 0 3 344.503 3.605 20 30 EHEDHN C=CCN(CCCCn1ccnc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000119610972 1025046572 /nfs/dbraw/zinc/04/65/72/1025046572.db2.gz PXGZGQYVNKKOGH-UHFFFAOYSA-N 0 3 328.416 3.568 20 30 EHEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCOc1ccccc1C#N ZINC000157752383 1025117264 /nfs/dbraw/zinc/11/72/64/1025117264.db2.gz DMZVNCDTXDNTNW-CQSZACIVSA-N 0 3 326.444 3.548 20 30 EHEDHN C[C@H](c1cccc(Cl)c1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000051425825 1025242618 /nfs/dbraw/zinc/24/26/18/1025242618.db2.gz BLNLGQFASIEIME-KDOFPFPSSA-N 0 3 344.842 3.644 20 30 EHEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000521197222 1025270217 /nfs/dbraw/zinc/27/02/17/1025270217.db2.gz AJLAYEZXJZSROP-GOSISDBHSA-N 0 3 327.472 3.802 20 30 EHEDHN CC(C)N1CCN(c2cccc(NC(=O)C3CCC(=O)CC3)c2)CC1 ZINC000329009036 1025569195 /nfs/dbraw/zinc/56/91/95/1025569195.db2.gz NXUOXIKRBMHKGN-UHFFFAOYSA-N 0 3 343.471 3.564 20 30 EHEDHN CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N[C@H]1CCC(C)(C)C1)C2 ZINC000329097361 1025600728 /nfs/dbraw/zinc/60/07/28/1025600728.db2.gz YMMKSANEUUITNM-UONOGXRCSA-N 0 3 332.492 3.578 20 30 EHEDHN COCC[C@H]1CCCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000467269560 1025848056 /nfs/dbraw/zinc/84/80/56/1025848056.db2.gz UDEQCJRRWLOVEY-CQSZACIVSA-N 0 3 338.398 3.798 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1nccc2ccccc21 ZINC000113650817 1025939130 /nfs/dbraw/zinc/93/91/30/1025939130.db2.gz YPCOXXNEPVDBAJ-OAHLLOKOSA-N 0 3 326.359 3.612 20 30 EHEDHN CC(C)Oc1ccc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc1C#N ZINC000444250934 1025971699 /nfs/dbraw/zinc/97/16/99/1025971699.db2.gz LGHCDJKURJWCHI-QLFBSQMISA-N 0 3 329.444 3.545 20 30 EHEDHN CC1(C)[C@H](NCc2cc(C#N)ccc2Br)[C@H]2CCCO[C@@H]21 ZINC000451477778 1025992489 /nfs/dbraw/zinc/99/24/89/1025992489.db2.gz IUNHFQYKCAORCD-BMFZPTHFSA-N 0 3 349.272 3.614 20 30 EHEDHN CCN(Cc1ccc(C#N)cc1F)[C@H](COC)Cc1ccccc1 ZINC000530627237 1026151429 /nfs/dbraw/zinc/15/14/29/1026151429.db2.gz MLRRVGGNKLHBDE-IBGZPJMESA-N 0 3 326.415 3.777 20 30 EHEDHN C=CCCCCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475174119 1026295653 /nfs/dbraw/zinc/29/56/53/1026295653.db2.gz KOFLUQQMLLTBPO-LJQANCHMSA-N 0 3 329.488 3.649 20 30 EHEDHN C[C@@H](CNCc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000897470592 1027095310 /nfs/dbraw/zinc/09/53/10/1027095310.db2.gz HBRRIKXQRJENEL-JTQLQIEISA-N 0 3 336.258 3.671 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000419837501 1027208393 /nfs/dbraw/zinc/20/83/93/1027208393.db2.gz MHBPVUYIGVFTLR-JTQLQIEISA-N 0 3 335.379 3.965 20 30 EHEDHN N#CCC1(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000430039870 1027391979 /nfs/dbraw/zinc/39/19/79/1027391979.db2.gz NFVKGCXEBXXSNZ-UHFFFAOYSA-N 0 3 343.434 3.718 20 30 EHEDHN CCCCc1ccc([C@@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000525893807 1027474940 /nfs/dbraw/zinc/47/49/40/1027474940.db2.gz ZJKCBXLIJHYEQX-FQEVSTJZSA-N 0 3 341.499 3.878 20 30 EHEDHN CCCN(CC(=O)N(CC)C[C@H](C)C#N)[C@H](CC)c1ccccc1 ZINC000531841393 1027505943 /nfs/dbraw/zinc/50/59/43/1027505943.db2.gz PJIBAAQDULRNLA-IEBWSBKVSA-N 0 3 329.488 3.858 20 30 EHEDHN CC(C)N(CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1CC1 ZINC000532667542 1027634984 /nfs/dbraw/zinc/63/49/84/1027634984.db2.gz MZBWQFXPWRRQMV-UHFFFAOYSA-N 0 3 345.512 3.948 20 30 EHEDHN N#Cc1cccc(NC(=O)CCN[C@@H](CC(F)F)c2ccccc2)c1 ZINC000420992128 1027969463 /nfs/dbraw/zinc/96/94/63/1027969463.db2.gz KCLWSRCQEGZTMC-KRWDZBQOSA-N 0 3 343.377 3.873 20 30 EHEDHN C[C@H]1CN(C)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444644357 1028107769 /nfs/dbraw/zinc/10/77/69/1028107769.db2.gz XKGVISAXZLBUNJ-IBGZPJMESA-N 0 3 333.479 3.522 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](CCc2ccccc2)C(C)C)CC1 ZINC000582919015 1028246094 /nfs/dbraw/zinc/24/60/94/1028246094.db2.gz QIMOQIPLGGIOAW-HXUWFJFHSA-N 0 3 328.500 3.658 20 30 EHEDHN C=CCCC[C@H](C)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000091508087 1028261781 /nfs/dbraw/zinc/26/17/81/1028261781.db2.gz DCNQZRQENVOPKQ-HNNXBMFYSA-N 0 3 331.460 3.650 20 30 EHEDHN Cc1cc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc(C)n1 ZINC000421384096 1028357419 /nfs/dbraw/zinc/35/74/19/1028357419.db2.gz OVDMGNKSTPGWKI-UHFFFAOYSA-N 0 3 345.450 3.765 20 30 EHEDHN C=C(C)[C@H](CC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)OCC ZINC000533714718 1028575838 /nfs/dbraw/zinc/57/58/38/1028575838.db2.gz PADMTXMBLVLOEJ-UXHICEINSA-N 0 3 344.499 3.619 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000424091617 1028796500 /nfs/dbraw/zinc/79/65/00/1028796500.db2.gz MZFPZIUYLYTUFB-GDBMZVCRSA-N 0 3 347.871 3.628 20 30 EHEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1Oc1ccccc1 ZINC000424115466 1028813275 /nfs/dbraw/zinc/81/32/75/1028813275.db2.gz VGJCRGIFIXOARS-QAPCUYQASA-N 0 3 337.423 3.677 20 30 EHEDHN Cc1c(COc2ccccc2)cccc1NC(=O)[C@H](N)CCCC#N ZINC000424133161 1028848906 /nfs/dbraw/zinc/84/89/06/1028848906.db2.gz YUFRKVPTUYXIRF-GOSISDBHSA-N 0 3 337.423 3.534 20 30 EHEDHN CCOC(=O)[C@H]1CC[C@H](NCc2ccc(C#N)s2)c2ccccc21 ZINC000421887075 1028892332 /nfs/dbraw/zinc/89/23/32/1028892332.db2.gz SGTSPOWUSXEBIP-ROUUACIJSA-N 0 3 340.448 3.891 20 30 EHEDHN C=C(C)C(C)(C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000424647234 1029212159 /nfs/dbraw/zinc/21/21/59/1029212159.db2.gz VJYNHMYCHMEUNS-UHFFFAOYSA-N 0 3 328.500 3.756 20 30 EHEDHN Cc1cc(C)c([C@@H](C)N2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 ZINC000533248613 1029525731 /nfs/dbraw/zinc/52/57/31/1029525731.db2.gz UGVMCZZEQVWFGJ-GOSISDBHSA-N 0 3 334.467 3.762 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(CN(C)C)c1 ZINC000156003080 1029715560 /nfs/dbraw/zinc/71/55/60/1029715560.db2.gz TYYGMYNWLJAAAS-UHFFFAOYSA-N 0 3 338.451 3.585 20 30 EHEDHN CC[C@@H](C)N[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccco1 ZINC000343255293 1029940687 /nfs/dbraw/zinc/94/06/87/1029940687.db2.gz NZXPWSAGJQTRJY-MLGOLLRUSA-N 0 3 328.372 3.601 20 30 EHEDHN N#CC(C(=O)C=Cc1ccccc1Cl)c1nnc2n1CCCCC2 ZINC000255569892 1030057813 /nfs/dbraw/zinc/05/78/13/1030057813.db2.gz ZWNWNRSMDHTYCF-CFYYFVFUSA-N 0 3 340.814 3.548 20 30 EHEDHN C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1)c1ccc(C#N)cc1 ZINC000453368963 1030186192 /nfs/dbraw/zinc/18/61/92/1030186192.db2.gz NEDJXJQSOUHJMW-JEDBISTDSA-N 0 3 338.455 3.603 20 30 EHEDHN N#CC1(NC(=O)CN[C@@H](c2cccc(Cl)c2)C2CCCC2)CCC1 ZINC000525886522 1030204405 /nfs/dbraw/zinc/20/44/05/1030204405.db2.gz LHIBQXWIFLAWIX-GOSISDBHSA-N 0 3 345.874 3.723 20 30 EHEDHN CN([C@@H]1CCc2ccccc21)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447856577 1030548599 /nfs/dbraw/zinc/54/85/99/1030548599.db2.gz RUZDZKASVRNHNU-NHCUHLMSSA-N 0 3 345.446 3.673 20 30 EHEDHN CC(C)c1ccc([C@@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000527135374 1030684267 /nfs/dbraw/zinc/68/42/67/1030684267.db2.gz TUUKNNRFDICLFP-IBGZPJMESA-N 0 3 327.472 3.659 20 30 EHEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccncc1F ZINC000340473545 1030859064 /nfs/dbraw/zinc/85/90/64/1030859064.db2.gz KUYAURYWNALEIG-HIFRSBDPSA-N 0 3 342.393 3.551 20 30 EHEDHN N#Cc1ccc(C2(NCc3cc4ccccc4[nH]3)CCOCC2)cc1 ZINC000527808331 1031243046 /nfs/dbraw/zinc/24/30/46/1031243046.db2.gz GJCMAWDLAKPUOU-UHFFFAOYSA-N 0 3 331.419 3.835 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000175477461 1031338828 /nfs/dbraw/zinc/33/88/28/1031338828.db2.gz ABRSSFDDIUVHJH-DNVCBOLYSA-N 0 3 345.462 3.569 20 30 EHEDHN COc1ccc([C@H](CNc2cccc(F)c2C#N)N2CCCC2)cc1 ZINC000026227107 1031391754 /nfs/dbraw/zinc/39/17/54/1031391754.db2.gz DYANGUNZFPVBJD-FQEVSTJZSA-N 0 3 339.414 3.955 20 30 EHEDHN CC(C)(C#N)CCN1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278571958 1031442232 /nfs/dbraw/zinc/44/22/32/1031442232.db2.gz CCLOPGYBMQCEBL-UHFFFAOYSA-N 0 3 340.389 3.929 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000598585918 1033315022 /nfs/dbraw/zinc/31/50/22/1033315022.db2.gz LXEYNUJZOFJDBA-KGLIPLIRSA-N 0 3 338.854 3.787 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000594431445 1033368228 /nfs/dbraw/zinc/36/82/28/1033368228.db2.gz MWTOTYOGVMVXIN-LJQANCHMSA-N 0 3 343.471 3.886 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000594433494 1033373373 /nfs/dbraw/zinc/37/33/73/1033373373.db2.gz FSMWPPZZKGOWNI-GOSISDBHSA-N 0 3 349.425 3.647 20 30 EHEDHN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594437807 1033375113 /nfs/dbraw/zinc/37/51/13/1033375113.db2.gz FQQVWUMXXKSFJJ-WMZOPIPTSA-N 0 3 342.487 3.724 20 30 EHEDHN CC(C)Sc1ccc([C@H](C)NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594440406 1033375886 /nfs/dbraw/zinc/37/58/86/1033375886.db2.gz ZBDDKKHTFHIDIT-WMLDXEAASA-N 0 3 333.501 3.776 20 30 EHEDHN CCc1ccc(-c2csc(NC(=O)[C@@H](N)CCCCC#N)n2)cc1 ZINC000594427946 1033390044 /nfs/dbraw/zinc/39/00/44/1033390044.db2.gz YMFPYJQVBCNVFK-HNNXBMFYSA-N 0 3 342.468 3.722 20 30 EHEDHN CCC[C@H](N)c1cn(Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000603188757 1033427483 /nfs/dbraw/zinc/42/74/83/1033427483.db2.gz BWGKIUMMZBZCKX-IBGZPJMESA-N 0 3 331.423 3.665 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1F ZINC000170672357 1033432962 /nfs/dbraw/zinc/43/29/62/1033432962.db2.gz XNANYGCGMDCYIN-HOCLYGCPSA-N 0 3 332.419 3.725 20 30 EHEDHN N#C[C@H]1CNC[C@@H]1OC(Cl)(Cl)c1ccc(Cl)cc1Cl ZINC001217831412 1033501033 /nfs/dbraw/zinc/50/10/33/1033501033.db2.gz JTMGAAMRJLMTIR-CPCISQLKSA-N 0 3 340.037 3.709 20 30 EHEDHN N#Cc1ccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)cc1Cl ZINC000594941604 1033587550 /nfs/dbraw/zinc/58/75/50/1033587550.db2.gz WXWBCWKLIGGCGL-GOSISDBHSA-N 0 3 342.826 3.669 20 30 EHEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC1CCCCC1 ZINC000603490995 1033680735 /nfs/dbraw/zinc/68/07/35/1033680735.db2.gz MSJXJXYWVYWMKX-CYBMUJFWSA-N 0 3 345.512 3.948 20 30 EHEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472349689 1033749104 /nfs/dbraw/zinc/74/91/04/1033749104.db2.gz SHNPBGUFYUVDDE-SCTDSRPQSA-N 0 3 347.462 3.838 20 30 EHEDHN Cc1ccc(CN2CCC(C(=O)NC3CCCCC3)CC2)cc1C#N ZINC000599321312 1033870057 /nfs/dbraw/zinc/87/00/57/1033870057.db2.gz YCOCNZWCXCSEQL-UHFFFAOYSA-N 0 3 339.483 3.528 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000658059345 1033874099 /nfs/dbraw/zinc/87/40/99/1033874099.db2.gz IHEQTBZOQDRMHF-COXVUDFISA-N 0 3 337.460 3.769 20 30 EHEDHN Cc1ccccc1CN1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000608885333 1033944626 /nfs/dbraw/zinc/94/46/26/1033944626.db2.gz VOKSFBFCVDZTJA-UHFFFAOYSA-N 0 3 340.858 3.627 20 30 EHEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1OC ZINC000647372182 1034061019 /nfs/dbraw/zinc/06/10/19/1034061019.db2.gz GUYAQIXMUCKXOF-ZDUSSCGKSA-N 0 3 342.420 3.918 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCC2(CC2)CC1 ZINC000599673689 1034081802 /nfs/dbraw/zinc/08/18/02/1034081802.db2.gz VYOCZIJYPNRMOQ-MRXNPFEDSA-N 0 3 343.446 3.727 20 30 EHEDHN CCCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1F ZINC000604493316 1034398279 /nfs/dbraw/zinc/39/82/79/1034398279.db2.gz JQRKWYKXQJCNFS-UHFFFAOYSA-N 0 3 339.414 3.938 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(OC(F)F)cc2)cc1 ZINC000171562811 1034461992 /nfs/dbraw/zinc/46/19/92/1034461992.db2.gz MZQLJLNAHXNULX-ZDUSSCGKSA-N 0 3 332.350 3.869 20 30 EHEDHN CC[C@H](C)N[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])c1ccco1 ZINC000450531256 1034492138 /nfs/dbraw/zinc/49/21/38/1034492138.db2.gz SJSBLWHSLDIMBG-WFASDCNBSA-N 0 3 328.372 3.601 20 30 EHEDHN COCCC1CN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597183601 1034587179 /nfs/dbraw/zinc/58/71/79/1034587179.db2.gz MUOZTZGDLBFNAG-UHFFFAOYSA-N 0 3 336.435 3.606 20 30 EHEDHN CN(C)CCN(Cc1cccs1)C(=O)CC1(C#N)CCCCC1 ZINC000597364238 1034697759 /nfs/dbraw/zinc/69/77/59/1034697759.db2.gz OQBHPHHGUAXTBY-UHFFFAOYSA-N 0 3 333.501 3.502 20 30 EHEDHN N#CC(C(=O)CC[C@@H]1CCc2ccccc21)C(=O)NCc1ccccc1 ZINC000892485286 1034779990 /nfs/dbraw/zinc/77/99/90/1034779990.db2.gz WYFVDVWFJOICJJ-ICSRJNTNSA-N 0 3 346.430 3.522 20 30 EHEDHN COc1cc(CN(C)CCOCc2ccc(C#N)cc2)ccc1Cl ZINC000451037815 1035038918 /nfs/dbraw/zinc/03/89/18/1035038918.db2.gz QLBZVCJCYQBFEB-UHFFFAOYSA-N 0 3 344.842 3.869 20 30 EHEDHN N#CC(C(=O)CCc1cc(F)ccc1F)c1nc2ccccc2[nH]1 ZINC000066003493 1035103710 /nfs/dbraw/zinc/10/37/10/1035103710.db2.gz OAQHGBHYCZUQME-CYBMUJFWSA-N 0 3 325.318 3.650 20 30 EHEDHN Cn1cc(CNCc2ccc(Cl)s2)c(-c2ccc(C#N)cc2)n1 ZINC000180043435 1035279674 /nfs/dbraw/zinc/27/96/74/1035279674.db2.gz QDXTZAGTBNTYLZ-UHFFFAOYSA-N 0 3 342.855 3.963 20 30 EHEDHN C#CCN(C(=O)N[C@@H](C)c1ccc(C(C)C)cc1)C1CCN(C)CC1 ZINC000913888172 1035624204 /nfs/dbraw/zinc/62/42/04/1035624204.db2.gz WYCRICHBNBRAMX-KRWDZBQOSA-N 0 3 341.499 3.610 20 30 EHEDHN N#Cc1ccc(N2CCCN(C3CCCC3)CC2)c(Br)c1 ZINC000534878983 1035736647 /nfs/dbraw/zinc/73/66/47/1035736647.db2.gz NAIKVYOALRNGSO-UHFFFAOYSA-N 0 3 348.288 3.775 20 30 EHEDHN N#CCCCCCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000588382403 1035915931 /nfs/dbraw/zinc/91/59/31/1035915931.db2.gz CKSSHLYDCLAMBQ-IBGZPJMESA-N 0 3 327.472 3.804 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccccc2NC2CCCCC2)CC1 ZINC000913949872 1036003492 /nfs/dbraw/zinc/00/34/92/1036003492.db2.gz CNHCREBMPMGBFR-UHFFFAOYSA-N 0 3 339.483 3.715 20 30 EHEDHN C=CCCC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000102342507 1036298384 /nfs/dbraw/zinc/29/83/84/1036298384.db2.gz RIZNDYLJOKPBDF-UHFFFAOYSA-N 0 3 328.378 3.562 20 30 EHEDHN CCC1(CC)CN(CCOc2ccc(C#N)cc2OC)CCS1 ZINC000464583909 1036575586 /nfs/dbraw/zinc/57/55/86/1036575586.db2.gz VTVSZHDRPHLVPF-UHFFFAOYSA-N 0 3 334.485 3.553 20 30 EHEDHN COc1cccc(CNCCSCc2ccccc2C#N)c1OC ZINC000170670656 1036676251 /nfs/dbraw/zinc/67/62/51/1036676251.db2.gz JQHUXSWGSDVVNT-UHFFFAOYSA-N 0 3 342.464 3.598 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659042072 1036974287 /nfs/dbraw/zinc/97/42/87/1036974287.db2.gz SDOXEQNSHUHKMT-AYOQOUSVSA-N 0 3 343.471 3.604 20 30 EHEDHN CC[C@@H](C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)N(C)C ZINC000542059500 1037021124 /nfs/dbraw/zinc/02/11/24/1037021124.db2.gz NUHUCSNLXRYJJJ-QRWLVFNGSA-N 0 3 335.451 3.743 20 30 EHEDHN C=CCN(CCC(=O)N1CCc2ccccc21)Cc1cccs1 ZINC000054427185 1037026931 /nfs/dbraw/zinc/02/69/31/1037026931.db2.gz OYJJXJQGSURVSM-UHFFFAOYSA-N 0 3 326.465 3.716 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3cccc(CCCO)c3)CC2)cc1 ZINC000540996729 1037259495 /nfs/dbraw/zinc/25/94/95/1037259495.db2.gz STLJIAWKXOLEEX-UHFFFAOYSA-N 0 3 349.478 3.560 20 30 EHEDHN N#C[C@H]1CC[C@@H](N[C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000591659811 1037536967 /nfs/dbraw/zinc/53/69/67/1037536967.db2.gz UUXMPLNXAQKSQW-WBQNTZJQSA-N 0 3 349.272 3.951 20 30 EHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000532578988 1037692894 /nfs/dbraw/zinc/69/28/94/1037692894.db2.gz YDCSXGPHPLVCHW-JTDSTZFVSA-N 0 3 333.435 3.763 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000113327990 1037782197 /nfs/dbraw/zinc/78/21/97/1037782197.db2.gz KDYTXCVDVJCCDV-UHFFFAOYSA-N 0 3 349.409 3.703 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000540325902 1037817971 /nfs/dbraw/zinc/81/79/71/1037817971.db2.gz IUZZJJIQCNEDQG-SJORKVTESA-N 0 3 330.472 3.714 20 30 EHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CCC(C)(C)C ZINC000592145353 1037845599 /nfs/dbraw/zinc/84/55/99/1037845599.db2.gz VMMDESJWMCBPKI-INIZCTEOSA-N 0 3 345.487 3.698 20 30 EHEDHN CC(C)(C)OC(=O)C1(C)CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000592158874 1037860419 /nfs/dbraw/zinc/86/04/19/1037860419.db2.gz LKDDTIJGTPOKDT-UHFFFAOYSA-N 0 3 328.456 3.696 20 30 EHEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)o1 ZINC000130128988 1038089540 /nfs/dbraw/zinc/08/95/40/1038089540.db2.gz UTMLRJHGGCOHJH-GFCCVEGCSA-N 0 3 334.734 3.650 20 30 EHEDHN CN1Cc2ccccc2[C@@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000378275826 1038349114 /nfs/dbraw/zinc/34/91/14/1038349114.db2.gz XJAGOTQVNDTUHT-NRFANRHFSA-N 0 3 335.451 3.645 20 30 EHEDHN N#CC1(NC(=O)CN2CCC[C@H]2CC2CCCCC2)CCCCC1 ZINC000488430795 1039174974 /nfs/dbraw/zinc/17/49/74/1039174974.db2.gz NEFMQXWEPPBHNU-SFHVURJKSA-N 0 3 331.504 3.764 20 30 EHEDHN C[C@@H](CCN1CCC(C#N)(c2ccccn2)CC1)OCc1ccccc1 ZINC000554565231 1039481497 /nfs/dbraw/zinc/48/14/97/1039481497.db2.gz GOQDBSHXWQHXNW-IBGZPJMESA-N 0 3 349.478 3.934 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000912302917 1039776414 /nfs/dbraw/zinc/77/64/14/1039776414.db2.gz XVPBQUQPQODJRM-QGZVFWFLSA-N 0 3 333.476 3.970 20 30 EHEDHN C#CCN(C(=O)N[C@H](C)c1cccc2ccccc21)C1CCN(C)CC1 ZINC000899132287 1040050767 /nfs/dbraw/zinc/05/07/67/1040050767.db2.gz JFNGESXLZKELRV-QGZVFWFLSA-N 0 3 349.478 3.640 20 30 EHEDHN COC(=O)c1ccccc1CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000480870978 1040107130 /nfs/dbraw/zinc/10/71/30/1040107130.db2.gz LPJJBGHBDHZQHZ-UHFFFAOYSA-N 0 3 346.430 3.677 20 30 EHEDHN Cc1cc(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc(C#N)n1 ZINC000553524364 1040162419 /nfs/dbraw/zinc/16/24/19/1040162419.db2.gz AZNJSYXPERLTJC-QGZVFWFLSA-N 0 3 348.372 3.995 20 30 EHEDHN COc1cccc(N2CC[C@@H](N[C@H](C)c3ccc(C#N)cc3F)C2)c1 ZINC000512612250 1040270441 /nfs/dbraw/zinc/27/04/41/1040270441.db2.gz OCCQWYLZVOFZJQ-GDBMZVCRSA-N 0 3 339.414 3.635 20 30 EHEDHN C[C@@H](NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc(C#N)cc1F ZINC000512667495 1040461925 /nfs/dbraw/zinc/46/19/25/1040461925.db2.gz PWIQBYSOKBOIGN-YJYMSZOUSA-N 0 3 329.394 3.790 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000433019534 1040470218 /nfs/dbraw/zinc/47/02/18/1040470218.db2.gz KGCPPPUDUVHJQB-QGZVFWFLSA-N 0 3 343.377 3.928 20 30 EHEDHN Cc1cccc2nc(CN[C@@H](CCCC#N)c3ccccc3)cc(=O)n12 ZINC000433030172 1040503342 /nfs/dbraw/zinc/50/33/42/1040503342.db2.gz DUUUYDOCQUJWOT-IBGZPJMESA-N 0 3 346.434 3.528 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1c[nH]nc1-c1cccnc1 ZINC000418136073 1040634813 /nfs/dbraw/zinc/63/48/13/1040634813.db2.gz AADVRWKEBQZFLR-LJQANCHMSA-N 0 3 329.407 3.511 20 30 EHEDHN CC(C)[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000015056907 1040949187 /nfs/dbraw/zinc/94/91/87/1040949187.db2.gz UPMTYWLAGACVLF-LJQANCHMSA-N 0 3 327.472 3.658 20 30 EHEDHN C=CCC(C)(C)C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000429880591 1041072596 /nfs/dbraw/zinc/07/25/96/1041072596.db2.gz ACMGZABZGZKSOS-LJQANCHMSA-N 0 3 328.500 3.788 20 30 EHEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000156508584 1041278339 /nfs/dbraw/zinc/27/83/39/1041278339.db2.gz UCKACPUOHDYRBI-JOYOIKCWSA-N 0 3 345.251 3.782 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(F)ccc(Br)c1F ZINC000500378305 1041278546 /nfs/dbraw/zinc/27/85/46/1041278546.db2.gz RJPNOTUVWOHAEK-BMIGLBTASA-N 0 3 346.215 3.798 20 30 EHEDHN CC[C@@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000104686538 1042293630 /nfs/dbraw/zinc/29/36/30/1042293630.db2.gz VMTSBHNPDMGSBM-CYBMUJFWSA-N 0 3 330.476 3.761 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000662077898 1042498647 /nfs/dbraw/zinc/49/86/47/1042498647.db2.gz FSLOSVNAUJKYGE-OKILXGFUSA-N 0 3 336.838 3.621 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000248743410 1042530314 /nfs/dbraw/zinc/53/03/14/1042530314.db2.gz MUBNHDSHVPMYNG-NLWGTHIKSA-N 0 3 344.499 3.557 20 30 EHEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000278862851 1042660558 /nfs/dbraw/zinc/66/05/58/1042660558.db2.gz GNCROWXIUUHVTM-RBUKOAKNSA-N 0 3 344.842 3.565 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000663400316 1042815067 /nfs/dbraw/zinc/81/50/67/1042815067.db2.gz OIBNEQRTMQPDKR-HSALFYBXSA-N 0 3 339.483 3.716 20 30 EHEDHN N#Cc1ccc(F)c(CN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000278886816 1042836401 /nfs/dbraw/zinc/83/64/01/1042836401.db2.gz NTCKGEZEGSJLMF-UHFFFAOYSA-N 0 3 338.430 3.610 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000663451761 1042871824 /nfs/dbraw/zinc/87/18/24/1042871824.db2.gz USTNOCAASFEFAC-IXDOHACOSA-N 0 3 345.512 3.778 20 30 EHEDHN COC[C@H](NCCOc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000569849704 1043018128 /nfs/dbraw/zinc/01/81/28/1043018128.db2.gz JQGXFAWOAUEFCN-SFHVURJKSA-N 0 3 330.815 3.568 20 30 EHEDHN CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N(C)C ZINC000106910552 1043097467 /nfs/dbraw/zinc/09/74/67/1043097467.db2.gz GVRGHUWQNABBQS-IBGZPJMESA-N 0 3 337.423 3.875 20 30 EHEDHN Cc1ccc([C@H](Cn2ccnc2)NCc2cccc(C#N)c2)c(C)c1 ZINC000344842631 1044508425 /nfs/dbraw/zinc/50/84/25/1044508425.db2.gz DPDHLWNGWRGGPC-NRFANRHFSA-N 0 3 330.435 3.903 20 30 EHEDHN Cc1ccc([C@H](Cn2ccnc2)NCc2ccc(C#N)cc2)c(C)c1 ZINC000344834997 1044510179 /nfs/dbraw/zinc/51/01/79/1044510179.db2.gz HMIKQANCTHIBEG-NRFANRHFSA-N 0 3 330.435 3.903 20 30 EHEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)c2cc[nH]c(=O)c2)cc1OC ZINC000623532673 1126972799 /nfs/dbraw/zinc/97/27/99/1126972799.db2.gz AZUSIJPOEMEABH-LBPRGKRZSA-N 0 3 348.830 3.865 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(N2CCCC2=O)cc1 ZINC000921508631 1127133034 /nfs/dbraw/zinc/13/30/34/1127133034.db2.gz XFEVUGHMNGDQDW-UHFFFAOYSA-N 0 3 333.435 3.592 20 30 EHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(Br)nc1 ZINC000842885998 1127624881 /nfs/dbraw/zinc/62/48/81/1127624881.db2.gz DNUZPLCPAJDFQB-LBPRGKRZSA-N 0 3 330.229 3.761 20 30 EHEDHN Cc1cc(C#N)cc(C)c1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000901946918 1127750644 /nfs/dbraw/zinc/75/06/44/1127750644.db2.gz GTFSUGLLKLWOSO-UHFFFAOYSA-N 0 3 332.407 3.954 20 30 EHEDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(OCC#N)cc1 ZINC000172119558 1127768972 /nfs/dbraw/zinc/76/89/72/1127768972.db2.gz RRQHFMKWOREUMQ-AWEZNQCLSA-N 0 3 327.403 3.645 20 30 EHEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000107071054 1128523775 /nfs/dbraw/zinc/52/37/75/1128523775.db2.gz VLAXTJIBBIPVNI-OLZOCXBDSA-N 0 3 327.815 3.889 20 30 EHEDHN N#Cc1c(F)cccc1Nc1cccc(CN2CCSCC2)c1 ZINC000301211849 1128579150 /nfs/dbraw/zinc/57/91/50/1128579150.db2.gz VNVGNTUUCIPKHV-UHFFFAOYSA-N 0 3 327.428 3.990 20 30 EHEDHN COc1ccc([C@@H](CNc2cccc(C#N)n2)N2CCCCC2)cc1 ZINC000301250955 1128580456 /nfs/dbraw/zinc/58/04/56/1128580456.db2.gz BHPIHKPQBROEPG-LJQANCHMSA-N 0 3 336.439 3.601 20 30 EHEDHN N#Cc1cccc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000301294649 1128582541 /nfs/dbraw/zinc/58/25/41/1128582541.db2.gz WVRLVMCTXJKQDZ-QGZVFWFLSA-N 0 3 326.831 3.856 20 30 EHEDHN COc1ccccc1[C@H](CNc1ccc(C#N)nc1)N1CCCCC1 ZINC000301538980 1128595674 /nfs/dbraw/zinc/59/56/74/1128595674.db2.gz UVZZNWNEOWOPLA-IBGZPJMESA-N 0 3 336.439 3.601 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1snc(Cl)c1C#N ZINC000301914887 1128612030 /nfs/dbraw/zinc/61/20/30/1128612030.db2.gz VDNOMWRTDXCFFJ-CYBMUJFWSA-N 0 3 346.887 3.769 20 30 EHEDHN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C2CCCC2)CC1 ZINC000542783656 1128612231 /nfs/dbraw/zinc/61/22/31/1128612231.db2.gz BUQMTDRDLYJVFM-KRWDZBQOSA-N 0 3 348.288 3.574 20 30 EHEDHN COc1ccc2cc(CNCc3cnc4ccc(C#N)cn34)ccc2c1 ZINC000123206626 1128681015 /nfs/dbraw/zinc/68/10/15/1128681015.db2.gz VNRRWIYAHTVOIS-UHFFFAOYSA-N 0 3 342.402 3.658 20 30 EHEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000073396916 1128765297 /nfs/dbraw/zinc/76/52/97/1128765297.db2.gz FGJMZVZQEUVODO-UHFFFAOYSA-N 0 3 341.405 3.544 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1Cl ZINC000220359092 1120476742 /nfs/dbraw/zinc/47/67/42/1120476742.db2.gz FWOKIFNQKYLWGT-QGZVFWFLSA-N 0 3 331.843 3.768 20 30 EHEDHN C=CCCOCCN[C@H]1CCCOc2cc(Br)ccc21 ZINC000222443917 1120589355 /nfs/dbraw/zinc/58/93/55/1120589355.db2.gz PEDXOEANRJGFJQ-HNNXBMFYSA-N 0 3 340.261 3.845 20 30 EHEDHN CN1CCC(N=Nc2ccc(Br)cn2)c2ccccc21 ZINC001117102108 1128943533 /nfs/dbraw/zinc/94/35/33/1128943533.db2.gz AGFNWBXLCCAAQS-UHFFFAOYSA-N 0 3 331.217 3.500 20 30 EHEDHN C[C@H](NCCCCNC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000495205015 1120986633 /nfs/dbraw/zinc/98/66/33/1120986633.db2.gz CRXUEROFDSCOLQ-ZDUSSCGKSA-N 0 3 335.423 3.653 20 30 EHEDHN N#CC(C(=O)COc1cccc2ccccc21)C(=O)Nc1ccccc1 ZINC000193443815 1121293328 /nfs/dbraw/zinc/29/33/28/1121293328.db2.gz QPNGZZLBUAOMSZ-SFHVURJKSA-N 0 3 344.370 3.566 20 30 EHEDHN N#Cc1nnc2ccccc2c1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000311142864 1128983553 /nfs/dbraw/zinc/98/35/53/1128983553.db2.gz WIEVTOIRUAURTE-QGZVFWFLSA-N 0 3 343.434 3.578 20 30 EHEDHN Cn1cc(CN2CCC[C@@H]2c2ccc[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000272279001 1121511241 /nfs/dbraw/zinc/51/12/41/1121511241.db2.gz MKAMIICZNFBDQG-LJQANCHMSA-N 0 3 331.423 3.624 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000171738750 1121668684 /nfs/dbraw/zinc/66/86/84/1121668684.db2.gz OEASEKOFTBLUFF-UHFFFAOYSA-N 0 3 328.243 3.765 20 30 EHEDHN CCN1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000272607738 1121779706 /nfs/dbraw/zinc/77/97/06/1121779706.db2.gz WHMFLNVFVAELKQ-UHFFFAOYSA-N 0 3 349.434 3.518 20 30 EHEDHN CCCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)c1ccccc1 ZINC000123365615 1122105736 /nfs/dbraw/zinc/10/57/36/1122105736.db2.gz ATAXNPZPHMOGGN-OXJNMPFZSA-N 0 3 327.472 3.658 20 30 EHEDHN Cc1cc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)ccc1C#N ZINC000488124528 1122188047 /nfs/dbraw/zinc/18/80/47/1122188047.db2.gz DIYPOXRQTLGOSF-MRXNPFEDSA-N 0 3 333.435 3.844 20 30 EHEDHN C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000124979738 1122301359 /nfs/dbraw/zinc/30/13/59/1122301359.db2.gz IGZVAJIVRJHIBB-UHFFFAOYSA-N 0 3 340.423 3.574 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN(Cc1cccs1)C1CC1 ZINC000497198622 1122369159 /nfs/dbraw/zinc/36/91/59/1122369159.db2.gz LKEGANNWKDLPAP-GOSISDBHSA-N 0 3 343.492 3.881 20 30 EHEDHN N#CC(C(=O)COc1ccc2ccccc2c1)C(=O)Nc1ccccc1 ZINC000916900347 1122382527 /nfs/dbraw/zinc/38/25/27/1122382527.db2.gz ZKYDIJMDOCEFHW-LJQANCHMSA-N 0 3 344.370 3.566 20 30 EHEDHN N#CC(C(=O)CCc1cccs1)C(=O)Nc1ccccc1Cl ZINC000916907516 1122392568 /nfs/dbraw/zinc/39/25/68/1122392568.db2.gz BOROAUSXGLOCLY-LBPRGKRZSA-N 0 3 332.812 3.682 20 30 EHEDHN CC(C)c1ccc([C@@H](C)NN=Cc2ccc(N(C)CCO)cc2)cc1 ZINC000917550583 1122634728 /nfs/dbraw/zinc/63/47/28/1122634728.db2.gz AZYWHLAFXQPKSH-QGZVFWFLSA-N 0 3 339.483 3.923 20 30 EHEDHN C=CCN(C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC)C(C)C ZINC000918062333 1122743651 /nfs/dbraw/zinc/74/36/51/1122743651.db2.gz QNMIIAGJWODKIN-LJQANCHMSA-N 0 3 347.503 3.684 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(N(C)C(C)C)c2)CC1 ZINC000069346945 1122766939 /nfs/dbraw/zinc/76/69/39/1122766939.db2.gz VSFDKUXUEFYJBY-UHFFFAOYSA-N 0 3 344.503 3.693 20 30 EHEDHN CCCN(Cc1ccccc1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000556137250 1122835824 /nfs/dbraw/zinc/83/58/24/1122835824.db2.gz GDZKTJSICGYYKS-QGZVFWFLSA-N 0 3 327.472 3.630 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCSC(C)(C)C)c1 ZINC000155109646 1123184960 /nfs/dbraw/zinc/18/49/60/1123184960.db2.gz JVLHYWFZJLQXKI-OAHLLOKOSA-N 0 3 348.468 3.654 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC2(c3ccccc3)CCCC2)CC1 ZINC000073215917 1123192578 /nfs/dbraw/zinc/19/25/78/1123192578.db2.gz HYIFLWQEBTZISS-UHFFFAOYSA-N 0 3 341.499 3.796 20 30 EHEDHN C=CCN1CC[C@H](N[C@H](Cc2ccccc2)c2sccc2C)C1=O ZINC000499624118 1129106939 /nfs/dbraw/zinc/10/69/39/1129106939.db2.gz HNQYRDBYBJBNIM-ZWKOTPCHSA-N 0 3 340.492 3.717 20 30 EHEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CC(C)(C)OC1(C)C ZINC000132607778 1123257443 /nfs/dbraw/zinc/25/74/43/1123257443.db2.gz JDNHUVZSZWXBRU-INIZCTEOSA-N 0 3 348.512 3.839 20 30 EHEDHN N#CC(C(=O)CCc1nccs1)c1nc2ccccc2n1C(F)F ZINC000920113579 1123289511 /nfs/dbraw/zinc/28/95/11/1123289511.db2.gz YEKGCFPBDZBPHO-SNVBAGLBSA-N 0 3 346.362 3.697 20 30 EHEDHN CC(C)SCC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000920141359 1123317006 /nfs/dbraw/zinc/31/70/06/1123317006.db2.gz IKDBSCAGDCDHPQ-AWEZNQCLSA-N 0 3 341.461 4.000 20 30 EHEDHN Cc1cccc([C@@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000610045200 1123721831 /nfs/dbraw/zinc/72/18/31/1123721831.db2.gz HYNPBYYMANDNCP-GOSISDBHSA-N 0 3 349.478 3.561 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000245930006 1123983585 /nfs/dbraw/zinc/98/35/85/1123983585.db2.gz SEJATQHOBTWVKM-BCXHYRKLSA-N 0 3 347.890 3.635 20 30 EHEDHN C[C@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(OCC#N)cc1 ZINC000180411491 1123997693 /nfs/dbraw/zinc/99/76/93/1123997693.db2.gz QYMXFIFFNUOGCR-INIZCTEOSA-N 0 3 346.434 3.840 20 30 EHEDHN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1OC(F)F ZINC000618741277 1125178645 /nfs/dbraw/zinc/17/86/45/1125178645.db2.gz DAABEOGJEYRYSP-MRXNPFEDSA-N 0 3 344.361 3.945 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000615320863 1125193180 /nfs/dbraw/zinc/19/31/80/1125193180.db2.gz YQSZSHXTCPHYCB-IRXDYDNUSA-N 0 3 330.472 3.714 20 30 EHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc2cnccc2c1 ZINC000618808732 1125208745 /nfs/dbraw/zinc/20/87/45/1125208745.db2.gz NZCHTKJKRKHMQD-UHFFFAOYSA-N 0 3 331.419 3.755 20 30 EHEDHN N#Cc1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc1Cl ZINC000619748244 1125400940 /nfs/dbraw/zinc/40/09/40/1125400940.db2.gz DCSJVWMBYRPLMB-HYXAFXHYSA-N 0 3 327.771 3.923 20 30 EHEDHN C=CCOc1ccc(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)cc1 ZINC000673291129 1129271690 /nfs/dbraw/zinc/27/16/90/1129271690.db2.gz HLUSJYCGLPJOFL-CRAIPNDOSA-N 0 3 342.439 3.704 20 30 EHEDHN C=CCC1(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CCC1 ZINC000673312578 1129290138 /nfs/dbraw/zinc/29/01/38/1129290138.db2.gz BJXSYMASKYOMDO-LJQANCHMSA-N 0 3 344.499 3.939 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466397801 1129419539 /nfs/dbraw/zinc/41/95/39/1129419539.db2.gz GBTINHVMMZRZQM-OALUTQOASA-N 0 3 329.488 3.647 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000069615136 1129466608 /nfs/dbraw/zinc/46/66/08/1129466608.db2.gz NQXONNIKAHJLEE-HXUWFJFHSA-N 0 3 348.450 3.825 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000172398311 1130129423 /nfs/dbraw/zinc/12/94/23/1130129423.db2.gz LHXYLWQSMNIUTG-OAHLLOKOSA-N 0 3 343.471 3.951 20 30 EHEDHN CSCC[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736319117 1131416314 /nfs/dbraw/zinc/41/63/14/1131416314.db2.gz USFYFHKYYCQQTC-CHWSQXEVSA-N 0 3 347.509 3.546 20 30 EHEDHN N#Cc1cccc(COC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000741329861 1131596210 /nfs/dbraw/zinc/59/62/10/1131596210.db2.gz NOJOYSGBUQWGOO-UHFFFAOYSA-N 0 3 334.419 3.514 20 30 EHEDHN C#CCCOc1ccc(CN[C@H](CC)c2c(C)nn(C)c2C)cc1 ZINC000742387941 1131714104 /nfs/dbraw/zinc/71/41/04/1131714104.db2.gz KJNVFVZQNHHBFU-LJQANCHMSA-N 0 3 325.456 3.680 20 30 EHEDHN C[C@H](Cc1ccc(F)cc1Cl)NC(=N)c1ccc(Cl)cn1 ZINC001172855611 1131874434 /nfs/dbraw/zinc/87/44/34/1131874434.db2.gz FGWXUBHGAYBDRU-SECBINFHSA-N 0 3 326.202 3.864 20 30 EHEDHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2)CN1C(=O)OC(C)(C)C ZINC001173069697 1131953880 /nfs/dbraw/zinc/95/38/80/1131953880.db2.gz JTAXGJLWLXNANJ-CRAIPNDOSA-N 0 3 343.471 3.778 20 30 EHEDHN C#CCN1CCN([C@@H](C)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC001173550735 1132093533 /nfs/dbraw/zinc/09/35/33/1132093533.db2.gz OQIIOKCSLXNONR-AWEZNQCLSA-N 0 3 325.283 3.565 20 30 EHEDHN C[C@H]1CN(C2CCC(C)(C#N)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001173600363 1132101728 /nfs/dbraw/zinc/10/17/28/1132101728.db2.gz CLOZTKJRAPGNJL-RXDZZFBJSA-N 0 3 335.492 3.789 20 30 EHEDHN CN1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CCC1(C)C ZINC001168799314 1132560955 /nfs/dbraw/zinc/56/09/55/1132560955.db2.gz RUNMXVJJJWCDQZ-UHFFFAOYSA-N 0 3 346.474 3.643 20 30 EHEDHN CC(=O)N1CC[C@@H](N(Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)C1 ZINC001169560306 1132786633 /nfs/dbraw/zinc/78/66/33/1132786633.db2.gz LNNCHASFTXUYTH-HTAPYJJXSA-N 0 3 347.462 3.742 20 30 EHEDHN C#CCC1(NCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CCC1 ZINC001176381850 1132914977 /nfs/dbraw/zinc/91/49/77/1132914977.db2.gz SBXQVIIDKQCIFK-UHFFFAOYSA-N 0 3 339.464 3.593 20 30 EHEDHN N#CC(C(=O)CCC(=O)c1cccc(F)c1)c1nc2ccccc2[nH]1 ZINC000767433673 1133001859 /nfs/dbraw/zinc/00/18/59/1133001859.db2.gz MWICSRUMFXTUGG-CQSZACIVSA-N 0 3 335.338 3.541 20 30 EHEDHN COCC[C@H]1CCCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000767938332 1133073375 /nfs/dbraw/zinc/07/33/75/1133073375.db2.gz ADZRMGWAPJRQRZ-OAHLLOKOSA-N 0 3 336.863 3.881 20 30 EHEDHN C=CC[C@H](NCc1cc(OC)c(OCC)c(OC)c1)c1ccncc1 ZINC001177884727 1133109068 /nfs/dbraw/zinc/10/90/68/1133109068.db2.gz IDGBKJJOPBGOHF-KRWDZBQOSA-N 0 3 342.439 3.905 20 30 EHEDHN C=CCOc1ccc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000769401896 1133276944 /nfs/dbraw/zinc/27/69/44/1133276944.db2.gz RSWCFFNKTDLBQN-OAHLLOKOSA-N 0 3 334.460 3.596 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCSCC(F)(F)F)c([O-])c1 ZINC000769549727 1133313644 /nfs/dbraw/zinc/31/36/44/1133313644.db2.gz UODGSKXJKYKNQL-VXLYETTFSA-N 0 3 334.407 3.953 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@@H](NCC#Cc1ccccc1)C1CCCC1 ZINC000769919509 1133359456 /nfs/dbraw/zinc/35/94/56/1133359456.db2.gz GBFKWAGGHCRLSR-LJQANCHMSA-N 0 3 342.483 3.711 20 30 EHEDHN N#CC(C(=O)CCc1cccc2c1OCO2)c1ccc2ccccc2n1 ZINC000770843713 1133471949 /nfs/dbraw/zinc/47/19/49/1133471949.db2.gz VGIDCYRYSVKWMU-INIZCTEOSA-N 0 3 344.370 3.773 20 30 EHEDHN C=CCN(CCOC)C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001181458271 1133489765 /nfs/dbraw/zinc/48/97/65/1133489765.db2.gz UPWIJEDMAWZTKE-MRXNPFEDSA-N 0 3 342.524 3.840 20 30 EHEDHN CC[C@H]1CC[C@H](C)N1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000772349384 1133673485 /nfs/dbraw/zinc/67/34/85/1133673485.db2.gz VQKVHDLGEMZNQT-ROUUACIJSA-N 0 3 327.472 3.813 20 30 EHEDHN CCc1ccc(C2=CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000772353769 1133674473 /nfs/dbraw/zinc/67/44/73/1133674473.db2.gz DTCCBUIRLVMJQD-JOCHJYFZSA-N 0 3 332.447 3.943 20 30 EHEDHN C=CC[C@@H](CO)CNCc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000774827284 1134026327 /nfs/dbraw/zinc/02/63/27/1134026327.db2.gz OCJHYCASKUYYMS-MRXNPFEDSA-N 0 3 347.890 3.725 20 30 EHEDHN COc1ccc(CNCc2cccc(OCCCC#N)c2)cc1C#N ZINC000746743010 1134112042 /nfs/dbraw/zinc/11/20/42/1134112042.db2.gz UZECUVAFLSMOGK-UHFFFAOYSA-N 0 3 335.407 3.539 20 30 EHEDHN CCCCCCCCS(=O)(=O)Nc1cccc(CN(C)C)c1 ZINC001188013396 1134416053 /nfs/dbraw/zinc/41/60/53/1134416053.db2.gz WRUOWCRVFRKKQA-UHFFFAOYSA-N 0 3 326.506 3.850 20 30 EHEDHN C#CCC1(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CCCCC1 ZINC000791717301 1134594572 /nfs/dbraw/zinc/59/45/72/1134594572.db2.gz YGTUVNWXWJVJGM-IEBWSBKVSA-N 0 3 326.484 3.768 20 30 EHEDHN CC(C)CN(CC#Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1 ZINC000792228834 1134669023 /nfs/dbraw/zinc/66/90/23/1134669023.db2.gz BCTNMTPMTLRFRW-OAQYLSRUSA-N 0 3 325.427 3.869 20 30 EHEDHN N#Cc1ccc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1F ZINC000792237015 1134669520 /nfs/dbraw/zinc/66/95/20/1134669520.db2.gz QMWUKDFQVVJLCI-LJQANCHMSA-N 0 3 328.362 3.534 20 30 EHEDHN C#C[C@H](CC)NCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000809685929 1134736562 /nfs/dbraw/zinc/73/65/62/1134736562.db2.gz ABNZNUVZSFXWMR-SNVBAGLBSA-N 0 3 348.187 3.561 20 30 EHEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)ccc2Br)C12CCC2 ZINC001170386321 1134762071 /nfs/dbraw/zinc/76/20/71/1134762071.db2.gz NDQPDFRGCWBAGF-JKSUJKDBSA-N 0 3 349.272 3.758 20 30 EHEDHN CCCN(CC(=O)OCC)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170394808 1134763332 /nfs/dbraw/zinc/76/33/32/1134763332.db2.gz AZZHAZZOJGWRIG-UHFFFAOYSA-N 0 3 328.456 3.666 20 30 EHEDHN CC[C@@H](c1ccccc1)N1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC001191244242 1134835842 /nfs/dbraw/zinc/83/58/42/1134835842.db2.gz HKVZFZYEEURXHZ-NRFANRHFSA-N 0 3 349.478 3.836 20 30 EHEDHN CCCCCCCOC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001193995664 1135219437 /nfs/dbraw/zinc/21/94/37/1135219437.db2.gz UKMXADOYENEWSV-RTBURBONSA-N 0 3 345.487 3.552 20 30 EHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@](C)(O)c1ccc(F)cc1 ZINC001194268727 1135253701 /nfs/dbraw/zinc/25/37/01/1135253701.db2.gz IZQHLZOUEQUICG-FQEVSTJZSA-N 0 3 345.462 3.889 20 30 EHEDHN CCCCCCCCOC(=O)N(CCOC)C1CCN(C)CC1 ZINC001194740188 1135307898 /nfs/dbraw/zinc/30/78/98/1135307898.db2.gz DKSGUUNFKMMMBX-UHFFFAOYSA-N 0 3 328.497 3.526 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN2C[C@H](C)[C@H](C)[C@@H]2C)ccc1Cl ZINC001195280662 1135404576 /nfs/dbraw/zinc/40/45/76/1135404576.db2.gz WEHZQQVRDMLSLH-JYJNAYRXSA-N 0 3 347.890 3.871 20 30 EHEDHN C#Cc1cccc(NC(=S)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000806609839 1135469624 /nfs/dbraw/zinc/46/96/24/1135469624.db2.gz SQCYDPYECAIDDH-OXJNMPFZSA-N 0 3 349.503 3.617 20 30 EHEDHN C#CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC)C1CC1 ZINC000807410246 1135543936 /nfs/dbraw/zinc/54/39/36/1135543936.db2.gz LVLALDXIDFGPRH-GOSISDBHSA-N 0 3 347.890 3.530 20 30 EHEDHN C#CCC(CC#C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000807663483 1135558849 /nfs/dbraw/zinc/55/88/49/1135558849.db2.gz WSROCAHGVCKEFS-IBGZPJMESA-N 0 3 344.886 3.502 20 30 EHEDHN C[C@]1(Cc2cccs2)CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001198301971 1135797848 /nfs/dbraw/zinc/79/78/48/1135797848.db2.gz ZRRUVZUVXWWEBW-LJQANCHMSA-N 0 3 339.464 3.655 20 30 EHEDHN C#CCN(Cc1ccc(COCCOC)cc1)[C@@H]1CCc2ccccc21 ZINC000809539238 1135849158 /nfs/dbraw/zinc/84/91/58/1135849158.db2.gz NSIZTIVYIQZXEG-HSZRJFAPSA-N 0 3 349.474 3.972 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000775892122 1135857577 /nfs/dbraw/zinc/85/75/77/1135857577.db2.gz RCYRXTIOHSXRTH-OAQYLSRUSA-N 0 3 334.419 3.610 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(OC)c(O[C@H](C#N)CC)c2)cc1 ZINC000809619778 1135858482 /nfs/dbraw/zinc/85/84/82/1135858482.db2.gz XNEGNLDURQSVNL-IBGZPJMESA-N 0 3 334.419 3.647 20 30 EHEDHN C#C[C@H](NCc1ccc(OCC(F)(F)F)c(OCC)c1)C(C)C ZINC000809685294 1135871452 /nfs/dbraw/zinc/87/14/52/1135871452.db2.gz LXKUIVMBFNCDIX-AWEZNQCLSA-N 0 3 329.362 3.774 20 30 EHEDHN Cc1cc(Br)cc(C[NH2+]CC(C)(C)CCC#N)c1[O-] ZINC000809778403 1135889763 /nfs/dbraw/zinc/88/97/63/1135889763.db2.gz OWJPFACQDRXDHA-UHFFFAOYSA-N 0 3 325.250 3.883 20 30 EHEDHN C[C@](C#N)(NC(=O)CN[C@@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000776008175 1135919494 /nfs/dbraw/zinc/91/94/94/1135919494.db2.gz UVTZSWOSHTUGPE-LEWJYISDSA-N 0 3 339.483 3.706 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCSC2)cc1 ZINC000810532377 1135970941 /nfs/dbraw/zinc/97/09/41/1135970941.db2.gz DBTRGBUWNFGYAO-QRTARXTBSA-N 0 3 344.480 3.991 20 30 EHEDHN C=CCN1CC[C@@H](N2CCCCC[C@@H]2Cc2ccccc2Cl)C1=O ZINC001170668178 1136186231 /nfs/dbraw/zinc/18/62/31/1136186231.db2.gz BITXQJFYONLFAE-IEBWSBKVSA-N 0 3 346.902 3.914 20 30 EHEDHN CN1CCN(c2ccc(NCc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC000850201879 1136219152 /nfs/dbraw/zinc/21/91/52/1136219152.db2.gz QVPRXNQWAHIIIE-UHFFFAOYSA-N 0 3 346.478 3.606 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc2c(c1)CC/C2=N/O ZINC001170686645 1136248233 /nfs/dbraw/zinc/24/82/33/1136248233.db2.gz XFEHBQGJJKILGP-LUHTUZHSSA-N 0 3 332.407 3.684 20 30 EHEDHN N#CC(C(=O)CC1(C#N)CCCCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000850757127 1136300625 /nfs/dbraw/zinc/30/06/25/1136300625.db2.gz WROPDFUVRUSQNW-HNNXBMFYSA-N 0 3 343.814 3.852 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H](OC)C2CCC2)cc1 ZINC000850762595 1136301983 /nfs/dbraw/zinc/30/19/83/1136301983.db2.gz ZOCZLQVRHKIOMS-SOVGHPHASA-N 0 3 342.439 3.663 20 30 EHEDHN N#CC(C(=O)c1ccc(Cl)nc1)c1cc(C(F)(F)F)ccn1 ZINC000813212348 1136302924 /nfs/dbraw/zinc/30/29/24/1136302924.db2.gz ABNOVYYXZNPRJN-SNVBAGLBSA-N 0 3 325.677 3.639 20 30 EHEDHN COc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000850782534 1136305647 /nfs/dbraw/zinc/30/56/47/1136305647.db2.gz NIYUSADEZZNBBD-XHSDSOJGSA-N 0 3 332.359 3.816 20 30 EHEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851737638 1136403029 /nfs/dbraw/zinc/40/30/29/1136403029.db2.gz KAFQLIVJPTYVQJ-GOSISDBHSA-N 0 3 344.474 3.546 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000814302641 1136438523 /nfs/dbraw/zinc/43/85/23/1136438523.db2.gz HKWRFMNWANFTDJ-OAHLLOKOSA-N 0 3 335.407 3.756 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000776797583 1136672832 /nfs/dbraw/zinc/67/28/32/1136672832.db2.gz IOMYCEUTESAPKJ-MAUKXSAKSA-N 0 3 343.471 3.602 20 30 EHEDHN CCN1CCN(c2ccc(N[C@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000776807895 1136687720 /nfs/dbraw/zinc/68/77/20/1136687720.db2.gz ZTFNIEJVNBPMEK-QGZVFWFLSA-N 0 3 334.467 3.873 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000857235571 1136856164 /nfs/dbraw/zinc/85/61/64/1136856164.db2.gz AMEUJCPLQFLUNZ-GWCFXTLKSA-N 0 3 343.254 3.707 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000818347504 1136870052 /nfs/dbraw/zinc/87/00/52/1136870052.db2.gz RKEMXXXNXBLNSC-XUJVJEKNSA-N 0 3 340.261 3.705 20 30 EHEDHN C#CCN(C)CCCNC(=O)c1oc2c(ccc3ccccc23)c1C ZINC000818615271 1136886119 /nfs/dbraw/zinc/88/61/19/1136886119.db2.gz GEZSWMLIFAAQNK-UHFFFAOYSA-N 0 3 334.419 3.579 20 30 EHEDHN C#CCOc1ccc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858017181 1136932511 /nfs/dbraw/zinc/93/25/11/1136932511.db2.gz VLZLUEPZZHUGOE-NRFANRHFSA-N 0 3 348.446 3.624 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)c1cc(C#N)ccc1C)c1ccsc1 ZINC001136215280 1136937949 /nfs/dbraw/zinc/93/79/49/1136937949.db2.gz DGFIEADQFRHEDS-GOSISDBHSA-N 0 3 341.480 3.741 20 30 EHEDHN CC(=O)N(C)c1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000858496363 1136973817 /nfs/dbraw/zinc/97/38/17/1136973817.db2.gz RELBQQBOCRCGBU-CYBMUJFWSA-N 0 3 325.387 3.531 20 30 EHEDHN Cc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000116592341 1137005762 /nfs/dbraw/zinc/00/57/62/1137005762.db2.gz ZDAUDSPIZSHKRI-CRAIPNDOSA-N 0 3 326.440 3.646 20 30 EHEDHN Cc1ccc(CN2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859240186 1137009214 /nfs/dbraw/zinc/00/92/14/1137009214.db2.gz VIMGWBOCEPFTSE-DOTOQJQBSA-N 0 3 343.471 3.602 20 30 EHEDHN COc1ccc(C(C)(C)NCc2ccc(OCC#N)cc2)cc1F ZINC000859641657 1137024180 /nfs/dbraw/zinc/02/41/80/1137024180.db2.gz AGKZIZVSJGDVRN-UHFFFAOYSA-N 0 3 328.387 3.762 20 30 EHEDHN COC(=O)c1ccc(C(=N)Nc2ccc(OC)c(C(C)C)c2)cc1 ZINC001170989127 1137063332 /nfs/dbraw/zinc/06/33/32/1137063332.db2.gz KBSNCOLQAJELIB-UHFFFAOYSA-N 0 3 326.396 3.642 20 30 EHEDHN N#CC(C(=O)C[C@H]1CCOc2ccccc21)c1nc2ccccc2[nH]1 ZINC000118141127 1137099363 /nfs/dbraw/zinc/09/93/63/1137099363.db2.gz KBNJEBSEHTUKCP-UKRRQHHQSA-N 0 3 331.375 3.696 20 30 EHEDHN COC(=O)C1(C#N)CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000824871753 1137156746 /nfs/dbraw/zinc/15/67/46/1137156746.db2.gz KOTBGZQSVCQALP-UHFFFAOYSA-N 0 3 340.467 3.739 20 30 EHEDHN COc1ccc([C@@H](CNc2cnccc2C#N)N2CCCCC2)cc1 ZINC000339045342 1137159672 /nfs/dbraw/zinc/15/96/72/1137159672.db2.gz NCJNACMVFRVHDJ-HXUWFJFHSA-N 0 3 336.439 3.601 20 30 EHEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370244 1137212804 /nfs/dbraw/zinc/21/28/04/1137212804.db2.gz GKPZOLWYBLBRNF-AUUYWEPGSA-N 0 3 339.395 3.501 20 30 EHEDHN FC(F)(F)c1cncc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000844382869 1137218242 /nfs/dbraw/zinc/21/82/42/1137218242.db2.gz LXLGKTPLIDGLCB-UHFFFAOYSA-N 0 3 342.258 3.967 20 30 EHEDHN N#Cc1cncc(CN2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)c1 ZINC001144080037 1137237325 /nfs/dbraw/zinc/23/73/25/1137237325.db2.gz SYIRCHGBEXRSPQ-FKBYEOEOSA-N 0 3 345.446 3.650 20 30 EHEDHN CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000794829846 1137267978 /nfs/dbraw/zinc/26/79/78/1137267978.db2.gz RKNFIFBCYGPUDX-KGLIPLIRSA-N 0 3 349.450 3.993 20 30 EHEDHN C=CCN1CCC(NC(=O)/C=C/c2ccsc2C(F)(F)F)CC1 ZINC000865193799 1137268029 /nfs/dbraw/zinc/26/80/29/1137268029.db2.gz OVVPRHAXHALONG-ONEGZZNKSA-N 0 3 344.402 3.547 20 30 EHEDHN N#CCOc1ccc(CNCc2ccc(CC(F)(F)F)cc2)cc1 ZINC000865451923 1137285005 /nfs/dbraw/zinc/28/50/05/1137285005.db2.gz GOGVBWPWGLSZIL-UHFFFAOYSA-N 0 3 334.341 3.984 20 30 EHEDHN C=CCN1CCC(Nc2nc(-c3ccccn3)nc(Cl)c2C)CC1 ZINC000865522671 1137291478 /nfs/dbraw/zinc/29/14/78/1137291478.db2.gz VUSLIJHKJYMEMV-UHFFFAOYSA-N 0 3 343.862 3.563 20 30 EHEDHN CN(Cc1ccccc1CN[C@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000846064221 1137332263 /nfs/dbraw/zinc/33/22/63/1137332263.db2.gz GEOIUCHZRFKYIS-QAPCUYQASA-N 0 3 343.471 3.835 20 30 EHEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc3scnc3c1)C2 ZINC001144737627 1137341011 /nfs/dbraw/zinc/34/10/11/1137341011.db2.gz XPLXCFWKBVULKT-LPHOPBHVSA-N 0 3 344.480 3.622 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171221008 1137346654 /nfs/dbraw/zinc/34/66/54/1137346654.db2.gz HCOGHFITKIPLRL-OAHLLOKOSA-N 0 3 328.456 3.543 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc3cccc(C)c3nc2Cl)CC1 ZINC000846634114 1137359847 /nfs/dbraw/zinc/35/98/47/1137359847.db2.gz LUDLLFMQVZDEGM-UHFFFAOYSA-N 0 3 343.858 3.577 20 30 EHEDHN Cc1c2nc[nH]c2ccc1NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001171277857 1137391551 /nfs/dbraw/zinc/39/15/51/1137391551.db2.gz XCDSCWFRMYNSJZ-UHFFFAOYSA-N 0 3 345.450 3.842 20 30 EHEDHN C#CC[C@H](N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000773113228 1137466680 /nfs/dbraw/zinc/46/66/80/1137466680.db2.gz CLIVEGBOYONOQV-WTIAFYNJSA-N 0 3 348.490 3.630 20 30 EHEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H](O)c1c(F)cccc1F ZINC000123202048 1137501173 /nfs/dbraw/zinc/50/11/73/1137501173.db2.gz BXJMCAZHAZWTKA-SFHVURJKSA-N 0 3 330.378 3.780 20 30 EHEDHN C=CCOC[C@H]1CCC[C@@]12CN([C@H](C)CCO[C@H](C)CC)CCO2 ZINC001172341702 1137552531 /nfs/dbraw/zinc/55/25/31/1137552531.db2.gz XEPKEROKYZIGEX-UAFMIMERSA-N 0 3 339.520 3.654 20 30 EHEDHN CC[C@H](NCc1ccc(CC#N)cc1)C(=O)N(C)c1ccc(C)cc1 ZINC000871887891 1137562668 /nfs/dbraw/zinc/56/26/68/1137562668.db2.gz FYSRVVHDVXXRFX-FQEVSTJZSA-N 0 3 335.451 3.592 20 30 EHEDHN CC(C)(C)OC(=O)Nc1cc(F)cc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000872124641 1137572790 /nfs/dbraw/zinc/57/27/90/1137572790.db2.gz GEQZGFILESEOFI-SWLSCSKDSA-N 0 3 333.407 3.955 20 30 EHEDHN CN1CCC(N(C(=O)c2sccc2CC#N)c2ccccc2)CC1 ZINC000875180363 1137630119 /nfs/dbraw/zinc/63/01/19/1137630119.db2.gz MZEBINOESRLYFT-UHFFFAOYSA-N 0 3 339.464 3.555 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000876641921 1137657913 /nfs/dbraw/zinc/65/79/13/1137657913.db2.gz QATICWMPNVQRJA-PRHODGIISA-N 0 3 335.662 3.683 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000876677165 1137658730 /nfs/dbraw/zinc/65/87/30/1137658730.db2.gz IRXCCDXMXDAUHI-QWRGUYRKSA-N 0 3 341.160 3.530 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000876875752 1137664491 /nfs/dbraw/zinc/66/44/91/1137664491.db2.gz ZEIWEHMLCDLXHQ-TVQRCGJNSA-N 0 3 335.662 3.983 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000876968703 1137666569 /nfs/dbraw/zinc/66/65/69/1137666569.db2.gz SHINPJJKRVCNDJ-FUHWJXTLSA-N 0 3 341.842 3.864 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877672731 1137685197 /nfs/dbraw/zinc/68/51/97/1137685197.db2.gz LYYOWIZBIWAZFA-BSIFCXSSSA-N 0 3 336.435 3.675 20 30 EHEDHN CC(=O)[C@](C#N)(CCN(C)CCCc1ccccc1)c1ccccc1 ZINC000877960867 1137697340 /nfs/dbraw/zinc/69/73/40/1137697340.db2.gz DYRLNEFFKRUZIC-JOCHJYFZSA-N 0 3 334.463 3.992 20 30 EHEDHN CCSCC[C@@H](C)N(C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878262507 1137708941 /nfs/dbraw/zinc/70/89/41/1137708941.db2.gz RWQWKSSIYKNAKG-APWZRJJASA-N 0 3 332.513 3.891 20 30 EHEDHN CC(=O)[C@](C#N)(CCN1CCC[C@]2(CCSC2)C1)c1ccccc1 ZINC000878689269 1137725125 /nfs/dbraw/zinc/72/51/25/1137725125.db2.gz FICOXIPNYKXARO-VQTJNVASSA-N 0 3 342.508 3.646 20 30 EHEDHN C=CCCC[C@@H](NCC(=O)N(C)c1nccs1)c1ccccc1 ZINC000880387835 1137777668 /nfs/dbraw/zinc/77/76/68/1137777668.db2.gz FUTJIYUVVQPCLT-MRXNPFEDSA-N 0 3 329.469 3.793 20 30 EHEDHN COc1ccc([C@H](NCC(=O)Nc2sccc2C#N)C(C)C)cc1 ZINC000102693291 1137873724 /nfs/dbraw/zinc/87/37/24/1137873724.db2.gz ITZRPXCCCFUPAQ-QGZVFWFLSA-N 0 3 343.452 3.554 20 30 EHEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(Oc3ccccc3)cc1)C2 ZINC000884044957 1137898524 /nfs/dbraw/zinc/89/85/24/1137898524.db2.gz CDCJYDSECNPOIU-TZQQIIETSA-N 0 3 347.418 3.557 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC1CC1 ZINC000112983759 1137910955 /nfs/dbraw/zinc/91/09/55/1137910955.db2.gz FRBGFYBSNROKGE-CQSZACIVSA-N 0 3 331.485 3.751 20 30 EHEDHN C=C(C)COc1cc(CNCc2ccc(O)c(F)c2)ccc1OC ZINC000120504630 1137950339 /nfs/dbraw/zinc/95/03/39/1137950339.db2.gz GDKARPJHXYBOGY-UHFFFAOYSA-N 0 3 331.387 3.785 20 30 EHEDHN N#Cc1ccc(CNCc2cccc(COCC(F)(F)F)c2)cc1 ZINC000120855932 1137952967 /nfs/dbraw/zinc/95/29/67/1137952967.db2.gz CDVORDHBWXJERH-UHFFFAOYSA-N 0 3 334.341 3.927 20 30 EHEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cccc(C3CCCCC3)c1)C2 ZINC000884429317 1137959655 /nfs/dbraw/zinc/95/96/55/1137959655.db2.gz FITOPMVUDSJOHV-WBTXTPOCSA-N 0 3 337.467 3.812 20 30 EHEDHN C[C@H](NC[C@H](O)CC1(C#N)CCC1)c1nc2ccccc2n1C(F)F ZINC000886158005 1138054077 /nfs/dbraw/zinc/05/40/77/1138054077.db2.gz PJBYMQWSCIPMCL-QWHCGFSZSA-N 0 3 348.397 3.527 20 30 EHEDHN CC(C)OC(=O)C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000886728969 1138127061 /nfs/dbraw/zinc/12/70/61/1138127061.db2.gz VKSKOMMPLCMUEF-UHFFFAOYSA-N 0 3 328.456 3.651 20 30 EHEDHN COCc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000092034290 1138224751 /nfs/dbraw/zinc/22/47/51/1138224751.db2.gz KDJMKLYAEVZGDP-UHFFFAOYSA-N 0 3 336.435 3.748 20 30 EHEDHN CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCS1 ZINC000093504307 1138237880 /nfs/dbraw/zinc/23/78/80/1138237880.db2.gz WFHYNNODXMGYPO-UHFFFAOYSA-N 0 3 340.496 3.791 20 30 EHEDHN C=CCCC(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000129957650 1138429318 /nfs/dbraw/zinc/42/93/18/1138429318.db2.gz SWILMMVJFVZVPE-GOSISDBHSA-N 0 3 338.455 3.543 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000336970354 1138438321 /nfs/dbraw/zinc/43/83/21/1138438321.db2.gz OJFKANJEFXZDHV-UHFFFAOYSA-N 0 3 345.424 3.673 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000264348701 1138483374 /nfs/dbraw/zinc/48/33/74/1138483374.db2.gz CKECYGRPRTWSAG-HNNXBMFYSA-N 0 3 333.451 3.569 20 30 EHEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H](C)N1Cc1ccc(C#N)cc1 ZINC000337237398 1138503655 /nfs/dbraw/zinc/50/36/55/1138503655.db2.gz LYYCPPVHLYNAJA-HDICACEKSA-N 0 3 344.462 3.525 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2F)C(C)C)CC1 ZINC000264421578 1138509299 /nfs/dbraw/zinc/50/92/99/1138509299.db2.gz UJPWKGOMCOWJHK-UHFFFAOYSA-N 0 3 347.478 3.786 20 30 EHEDHN CC[C@H]1Oc2cc([C@H](C)NCc3cccc(C#N)c3)ccc2NC1=O ZINC000174139400 1139400974 /nfs/dbraw/zinc/40/09/74/1139400974.db2.gz QHOGYVLSNXZKLX-SCLBCKFNSA-N 0 3 335.407 3.519 20 30 EHEDHN CCOC[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177172494 1139601168 /nfs/dbraw/zinc/60/11/68/1139601168.db2.gz UQANKDRCDSRQQP-INIZCTEOSA-N 0 3 325.374 3.805 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)c1cc2ccccc2s1 ZINC000184361859 1140098526 /nfs/dbraw/zinc/09/85/26/1140098526.db2.gz MNKUKTGQJJQIHE-SCLBCKFNSA-N 0 3 329.469 3.606 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000186731901 1140219143 /nfs/dbraw/zinc/21/91/43/1140219143.db2.gz YVNCTOVMSBFEFG-MRXNPFEDSA-N 0 3 333.435 3.514 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CC)[C@@H](C)Cc2ccsc2)CC1 ZINC000187038084 1140233917 /nfs/dbraw/zinc/23/39/17/1140233917.db2.gz MXUCVTJVAHXYFV-INIZCTEOSA-N 0 3 349.544 3.751 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccnc(SCC)c2)cc1 ZINC000189591198 1140353670 /nfs/dbraw/zinc/35/36/70/1140353670.db2.gz OSNLMIHSNIPPMG-UHFFFAOYSA-N 0 3 326.465 3.886 20 30 EHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000274201972 1141484975 /nfs/dbraw/zinc/48/49/75/1141484975.db2.gz LBAFZCKGYUPHSC-ZLDLUXBVSA-N 0 3 335.245 3.945 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN(Cc1ccco1)C(C)C ZINC000349027155 1141624721 /nfs/dbraw/zinc/62/47/21/1141624721.db2.gz MAEFTWDOIFGMAX-SFHVURJKSA-N 0 3 329.440 3.658 20 30 EHEDHN C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001573280832 946668499 /nfs/dbraw/zinc/66/84/99/946668499.db2.gz SPWFCBPIYMEBDR-GOSISDBHSA-N 0 3 343.434 3.521 20 30 EHEDHN C#C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001573280832 946668507 /nfs/dbraw/zinc/66/85/07/946668507.db2.gz SPWFCBPIYMEBDR-GOSISDBHSA-N 0 3 343.434 3.521 20 30 EHEDHN COc1cc(C#N)ccc1OC1CCN(C[C@H](C)C(F)(F)F)CC1 ZINC001208890241 1015489832 /nfs/dbraw/zinc/48/98/32/1015489832.db2.gz CQXBSGQDEBRBHI-LBPRGKRZSA-N 0 3 342.361 3.608 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000183210622 1032182573 /nfs/dbraw/zinc/18/25/73/1032182573.db2.gz DIGSRDTXCHLOMW-YWZLYKJASA-N 0 3 340.398 3.770 20 30 EHEDHN CCCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1OCC ZINC000905081657 1032334858 /nfs/dbraw/zinc/33/48/58/1032334858.db2.gz SIDFLPIRQVWGRE-LERPTODRSA-N 0 3 341.411 3.697 20 30 EHEDHN N#Cc1sc(N[C@H](CN2CCCC2)c2ccccc2)nc1Cl ZINC000278754536 1032374306 /nfs/dbraw/zinc/37/43/06/1032374306.db2.gz SGYCJQZBXCIDSP-CYBMUJFWSA-N 0 3 332.860 3.917 20 30 EHEDHN Cc1ccccc1[C@@H](CC(C)C)NCC(=O)N[C@](C)(C#N)C(C)C ZINC000537058707 1032496620 /nfs/dbraw/zinc/49/66/20/1032496620.db2.gz SCXAXVOYCDSNSL-UYAOXDASSA-N 0 3 329.488 3.726 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000594426624 1033389925 /nfs/dbraw/zinc/38/99/25/1033389925.db2.gz PZCXHPOVVMAREY-GFCCVEGCSA-N 0 3 333.741 3.709 20 30 EHEDHN CCc1cc(C#N)c(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)s1 ZINC000593036898 1032673741 /nfs/dbraw/zinc/67/37/41/1032673741.db2.gz JMUNTQAZDVTNBV-ZYHUDNBSSA-N 0 3 346.374 3.868 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1CNCc1oc2ccccc2c1Br ZINC000655798222 1017637691 /nfs/dbraw/zinc/63/76/91/1017637691.db2.gz KKNWIPFOVXIMIO-AAEUAGOBSA-N 0 3 336.229 3.876 20 30 EHEDHN COc1cc(CN[C@@H]2c3ccccc3CC23CCOCC3)ccc1C#N ZINC000289929305 1032716068 /nfs/dbraw/zinc/71/60/68/1032716068.db2.gz WATVOIKBHXKQSE-OAQYLSRUSA-N 0 3 348.446 3.751 20 30 EHEDHN C[C@@H]1C[C@@H]1c1noc(CC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000593075018 1032769562 /nfs/dbraw/zinc/76/95/62/1032769562.db2.gz ACATZMUDEKBWCB-KDOFPFPSSA-N 0 3 336.439 3.519 20 30 EHEDHN C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580196647 1018773233 /nfs/dbraw/zinc/77/32/33/1018773233.db2.gz XLNAYCCDFDKBPH-BEFAXECRSA-N 0 3 331.423 3.574 20 30 EHEDHN COc1ccc(OC2CCN(Cc3ccc(C#N)cc3C)CC2)cc1 ZINC000614397738 1018966186 /nfs/dbraw/zinc/96/61/86/1018966186.db2.gz ZKPKIAWKMGOYDQ-UHFFFAOYSA-N 0 3 336.435 3.919 20 30 EHEDHN C=C[C@H](CO)NCc1ccc(-c2ccc(Br)cc2)s1 ZINC001203215355 1019233740 /nfs/dbraw/zinc/23/37/40/1019233740.db2.gz KJWKBGFYPGIDSV-CYBMUJFWSA-N 0 3 338.270 3.814 20 30 EHEDHN COc1ccccc1O[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000513420312 1019633026 /nfs/dbraw/zinc/63/30/26/1019633026.db2.gz NLYGYXYBQSYBHY-IBGZPJMESA-N 0 3 336.435 3.919 20 30 EHEDHN CC(C)Sc1ccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345111039 1019956243 /nfs/dbraw/zinc/95/62/43/1019956243.db2.gz KKTJEJVJNYGECD-LSDHHAIUSA-N 0 3 345.512 3.789 20 30 EHEDHN Cc1ccc(C#N)c(NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)n1 ZINC000340861060 1020481718 /nfs/dbraw/zinc/48/17/18/1020481718.db2.gz AABRKFVQUFRKJU-IBGZPJMESA-N 0 3 338.455 3.764 20 30 EHEDHN C=CCOCCCN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000656684794 1021165880 /nfs/dbraw/zinc/16/58/80/1021165880.db2.gz GQMFQBRLFKIRTK-IBGZPJMESA-N 0 3 342.414 3.688 20 30 EHEDHN C=CCC[C@H](NC[C@H](O)c1cc(OC)cc(OC)c1)c1ccco1 ZINC000276397261 1021179436 /nfs/dbraw/zinc/17/94/36/1021179436.db2.gz CQBYBQHYAIKMAY-ROUUACIJSA-N 0 3 331.412 3.627 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1cccs1 ZINC000157334390 1021207166 /nfs/dbraw/zinc/20/71/66/1021207166.db2.gz WFNJNBLITNIOFW-HNNXBMFYSA-N 0 3 328.437 3.844 20 30 EHEDHN CC[C@@](C)(C#N)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000507493191 1021305548 /nfs/dbraw/zinc/30/55/48/1021305548.db2.gz SJRAOBJPUVAJSU-QUCCMNQESA-N 0 3 327.472 3.516 20 30 EHEDHN N#CCCNC(=O)CN[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000760460755 1032969112 /nfs/dbraw/zinc/96/91/12/1032969112.db2.gz ACDMGSSODKDPCF-SFHVURJKSA-N 0 3 333.863 3.581 20 30 EHEDHN N#Cc1cccnc1N1CCN([C@@H]2CCCCc3ccccc32)CC1 ZINC000471724778 1021857828 /nfs/dbraw/zinc/85/78/28/1021857828.db2.gz JELDFFBDEPXROD-HXUWFJFHSA-N 0 3 332.451 3.543 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000341455263 1021940253 /nfs/dbraw/zinc/94/02/53/1021940253.db2.gz LBPNFRZYNFARDV-KRWDZBQOSA-N 0 3 333.451 3.655 20 30 EHEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000441339035 1022158901 /nfs/dbraw/zinc/15/89/01/1022158901.db2.gz HAGGVFMENHSAJX-TZIWHRDSSA-N 0 3 343.515 3.693 20 30 EHEDHN O=C(Nc1ccc(OC(F)F)nc1)[C@@H]1CCCN1C1CCCC1 ZINC000328699239 1022469611 /nfs/dbraw/zinc/46/96/11/1022469611.db2.gz MDWZBPDAMOPJFV-ZDUSSCGKSA-N 0 3 325.359 3.678 20 30 EHEDHN O=C1C=COC2(CCN(C[C@H]3CCC[C@H](c4ccccc4)O3)CC2)C1 ZINC000933643655 1022536574 /nfs/dbraw/zinc/53/65/74/1022536574.db2.gz BQYMCPJIXJDRLE-WOJBJXKFSA-N 0 3 341.451 3.635 20 30 EHEDHN CN(C)[C@@H](CNc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 ZINC000184350968 1022947345 /nfs/dbraw/zinc/94/73/45/1022947345.db2.gz RGKOERTYYUSIKN-HNNXBMFYSA-N 0 3 334.345 3.687 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000602708479 1033096018 /nfs/dbraw/zinc/09/60/18/1033096018.db2.gz FQFNIAALCYAAMG-ZFWWWQNUSA-N 0 3 348.409 3.565 20 30 EHEDHN C#CCOc1cccc(NC(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000074590923 1023052674 /nfs/dbraw/zinc/05/26/74/1023052674.db2.gz OMGJSHATYDCOOK-UHFFFAOYSA-N 0 3 348.402 3.759 20 30 EHEDHN CCCN1CC[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000598341607 1033107229 /nfs/dbraw/zinc/10/72/29/1033107229.db2.gz DMZFHGFUHSNBBF-KRWDZBQOSA-N 0 3 349.434 3.565 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnn(Cc2ccccc2)c1 ZINC000341762855 1023267473 /nfs/dbraw/zinc/26/74/73/1023267473.db2.gz VRARQIWMNCGDBF-JOCHJYFZSA-N 0 3 342.446 3.970 20 30 EHEDHN COc1cccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)N(C)C)c1 ZINC000255417963 1023613966 /nfs/dbraw/zinc/61/39/66/1023613966.db2.gz QOTJADFUNZNKAI-CWGWECIMSA-N 0 3 349.434 3.671 20 30 EHEDHN N#CCC1(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000430080526 1024338334 /nfs/dbraw/zinc/33/83/34/1024338334.db2.gz VEYHLXMBSZJVIR-UHFFFAOYSA-N 0 3 343.434 3.718 20 30 EHEDHN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N[C@H]1CCCC1(C)C)C2 ZINC000330229173 1024363358 /nfs/dbraw/zinc/36/33/58/1024363358.db2.gz CVYSVMJITWWXDM-KBPBESRZSA-N 0 3 332.492 3.578 20 30 EHEDHN C[C@@H]1CN(CCCCNc2cccc(C(F)F)c2C#N)C[C@@H](C)O1 ZINC000520669562 1024389454 /nfs/dbraw/zinc/38/94/54/1024389454.db2.gz VVDNWPCHPNXSSJ-ZIAGYGMSSA-N 0 3 337.414 3.797 20 30 EHEDHN C=C[C@](C)(CC)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000474149042 1024415987 /nfs/dbraw/zinc/41/59/87/1024415987.db2.gz GHWYYLNHPOXPDX-HXUWFJFHSA-N 0 3 329.488 3.758 20 30 EHEDHN Cc1ccccc1CN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434834632 1024447702 /nfs/dbraw/zinc/44/77/02/1024447702.db2.gz SQAGIXIAJXZHNR-UHFFFAOYSA-N 0 3 345.450 3.799 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(NC(N)=O)cc1 ZINC000346150497 1024450828 /nfs/dbraw/zinc/45/08/28/1024450828.db2.gz YJTCCIVCACRTRS-NEPJUHHUSA-N 0 3 326.375 3.600 20 30 EHEDHN C=CCN1CCC(NC(=O)NC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000520710306 1024478282 /nfs/dbraw/zinc/47/82/82/1024478282.db2.gz MJNCACRERASCLO-UHFFFAOYSA-N 0 3 345.462 3.545 20 30 EHEDHN C(#Cc1ccccc1)CNCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000895468285 1024541332 /nfs/dbraw/zinc/54/13/32/1024541332.db2.gz IITYOWDKVJIANA-QFIPXVFZSA-N 0 3 335.447 3.524 20 30 EHEDHN C#CCC1(O)CCN(Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000895676072 1024709878 /nfs/dbraw/zinc/70/98/78/1024709878.db2.gz ZOQKZDOZHUWEBL-UHFFFAOYSA-N 0 3 336.435 3.533 20 30 EHEDHN Cc1ccccc1CN1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000521060686 1025191550 /nfs/dbraw/zinc/19/15/50/1025191550.db2.gz GJKNFOXSJQAVHR-UHFFFAOYSA-N 0 3 325.843 3.842 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)cc(F)c2F)CC1 ZINC000442216242 1025216022 /nfs/dbraw/zinc/21/60/22/1025216022.db2.gz NIRVNYDGJIQEQP-UHFFFAOYSA-N 0 3 343.805 3.780 20 30 EHEDHN C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000515548571 1025342897 /nfs/dbraw/zinc/34/28/97/1025342897.db2.gz HVZSECYJNYSVEP-MISYRCLQSA-N 0 3 339.483 3.834 20 30 EHEDHN C=CCCn1cc(CNC[C@@H](Cc2ccccc2)c2ccccc2)nn1 ZINC000657389884 1025816857 /nfs/dbraw/zinc/81/68/57/1025816857.db2.gz PHSPWYMXNFGYFQ-OAQYLSRUSA-N 0 3 346.478 3.970 20 30 EHEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000329576014 1026025005 /nfs/dbraw/zinc/02/50/05/1026025005.db2.gz OEQZVXATDXJBFJ-MNVSYLFESA-N 0 3 344.455 3.738 20 30 EHEDHN CN(C)Cc1ccc(-c2noc(/C=C\c3ccc(C#N)cc3)n2)cc1 ZINC000530632968 1026141105 /nfs/dbraw/zinc/14/11/05/1026141105.db2.gz KOMZXDYJXMACMK-XFXZXTDPSA-N 0 3 330.391 3.840 20 30 EHEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)cc1C ZINC000186203085 1026321975 /nfs/dbraw/zinc/32/19/75/1026321975.db2.gz DNSPVVCTXPFKQY-UHFFFAOYSA-N 0 3 335.451 3.591 20 30 EHEDHN N#CCc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000342702815 1026769814 /nfs/dbraw/zinc/76/98/14/1026769814.db2.gz ZRTDENNSKRHDHU-IBGZPJMESA-N 0 3 334.419 3.861 20 30 EHEDHN CC[C@H](Cc1ccccc1)N(C)Cc1cccc(C(=O)OC)c1C#N ZINC000582738576 1027441905 /nfs/dbraw/zinc/44/19/05/1027441905.db2.gz ITVRJVHUIDDUKF-GOSISDBHSA-N 0 3 336.435 3.798 20 30 EHEDHN COc1cc(C#N)ccc1OCCN[C@@H](CC(F)F)c1ccccc1 ZINC000420992072 1027969750 /nfs/dbraw/zinc/96/97/50/1027969750.db2.gz JWLYPULCPHOGJU-INIZCTEOSA-N 0 3 346.377 3.932 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cnn([C@H](C)CC)c2C2CC2)CC1 ZINC000342919734 1028108227 /nfs/dbraw/zinc/10/82/27/1028108227.db2.gz JEFNFFBAPAZKOQ-CQSZACIVSA-N 0 3 345.491 3.503 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000504060005 1028372079 /nfs/dbraw/zinc/37/20/79/1028372079.db2.gz RGUNUQKRWQHZDZ-MJGOQNOKSA-N 0 3 347.503 3.730 20 30 EHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(OCc2cccnc2)cc1 ZINC000583059460 1028707167 /nfs/dbraw/zinc/70/71/67/1028707167.db2.gz OFBGHKPOPJTCFX-INIZCTEOSA-N 0 3 346.434 3.722 20 30 EHEDHN CCCCc1oc2ccccc2c1CN(C)C(=O)[C@H](N)CCCC#N ZINC000424067228 1028773199 /nfs/dbraw/zinc/77/31/99/1028773199.db2.gz OXQMFAWXWKGVKF-QGZVFWFLSA-N 0 3 341.455 3.755 20 30 EHEDHN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424085525 1028788956 /nfs/dbraw/zinc/78/89/56/1028788956.db2.gz FXASZUZGUGWKDW-ROUUACIJSA-N 0 3 327.472 3.669 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000424124198 1028819078 /nfs/dbraw/zinc/81/90/78/1028819078.db2.gz MAHVEIHLAJUQQR-SNVBAGLBSA-N 0 3 347.818 3.657 20 30 EHEDHN CC(C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000424168682 1028869121 /nfs/dbraw/zinc/86/91/21/1028869121.db2.gz IRYYSKFFCNENKS-HUUCEWRRSA-N 0 3 341.377 3.540 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(C(C)(C)C)cn1 ZINC000422126090 1029077037 /nfs/dbraw/zinc/07/70/37/1029077037.db2.gz WFJXTNRLQXIBBX-CQSZACIVSA-N 0 3 332.407 3.756 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCOc2ccccc2)c1 ZINC000127665889 1029160134 /nfs/dbraw/zinc/16/01/34/1029160134.db2.gz KPLHUGSKXQCOKB-SFHVURJKSA-N 0 3 336.391 3.502 20 30 EHEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000505282935 1029435350 /nfs/dbraw/zinc/43/53/50/1029435350.db2.gz HEYGFLIIZLIVIF-YPAWHYETSA-N 0 3 331.463 3.673 20 30 EHEDHN COC(=O)c1cccc(CN2CC[C@@H](c3ccccc3)[C@H]2C)c1C#N ZINC000533758073 1029787773 /nfs/dbraw/zinc/78/77/73/1029787773.db2.gz GNTMGTMGWGPFOU-CRAIPNDOSA-N 0 3 334.419 3.723 20 30 EHEDHN C=CCC[C@@H](O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272900856 1029816215 /nfs/dbraw/zinc/81/62/15/1029816215.db2.gz ZRSPGEOWWBBUQL-MJGOQNOKSA-N 0 3 330.859 3.936 20 30 EHEDHN N#Cc1ccccc1N1CCCN(CCOC2CCCCCC2)CC1 ZINC000525422944 1029848994 /nfs/dbraw/zinc/84/89/94/1029848994.db2.gz JMVNGKARMFRGFK-UHFFFAOYSA-N 0 3 341.499 3.810 20 30 EHEDHN CC[C@@H](CN(CC)CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000481746422 1029892374 /nfs/dbraw/zinc/89/23/74/1029892374.db2.gz FTCOYCFCFNJENV-FQEVSTJZSA-N 0 3 349.478 3.690 20 30 EHEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000481765247 1029930666 /nfs/dbraw/zinc/93/06/66/1029930666.db2.gz IXMPCDARWROILF-WBVHZDCISA-N 0 3 338.398 3.843 20 30 EHEDHN CC[C@H](Cc1ccccc1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000525635121 1029984374 /nfs/dbraw/zinc/98/43/74/1029984374.db2.gz IIIYGHFFJPWVFC-HXUWFJFHSA-N 0 3 349.478 3.886 20 30 EHEDHN CC[C@H](C)N[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccco1 ZINC000343280011 1030074008 /nfs/dbraw/zinc/07/40/08/1030074008.db2.gz ZEZHULVCCKXETQ-SWLSCSKDSA-N 0 3 328.372 3.601 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)c3ccccc3c2)CC1 ZINC000550781083 1030113245 /nfs/dbraw/zinc/11/32/45/1030113245.db2.gz ARHYXBVBCNHELI-UHFFFAOYSA-N 0 3 326.415 3.749 20 30 EHEDHN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)c1cccc(C#N)c1 ZINC000453377059 1030199763 /nfs/dbraw/zinc/19/97/63/1030199763.db2.gz PPBKCFWIZKMWGC-KLIQENQMSA-N 0 3 338.455 3.603 20 30 EHEDHN CC[C@H](C)[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000525885924 1030204925 /nfs/dbraw/zinc/20/49/25/1030204925.db2.gz MYRFQKDHSVKZQZ-SUMWQHHRSA-N 0 3 333.863 3.579 20 30 EHEDHN CCCCN(CC(=O)N(CC)C[C@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000532352102 1030576496 /nfs/dbraw/zinc/57/64/96/1030576496.db2.gz DQBGNZSHIDETRI-MSOLQXFVSA-N 0 3 329.488 3.858 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)CC1 ZINC000278402469 1030629360 /nfs/dbraw/zinc/62/93/60/1030629360.db2.gz GBBXEDBBSCEMGL-MJGOQNOKSA-N 0 3 341.499 3.533 20 30 EHEDHN Cc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C ZINC000190613421 1030658997 /nfs/dbraw/zinc/65/89/97/1030658997.db2.gz VZKZKODXRYCNNK-LAUBAEHRSA-N 0 3 347.462 3.627 20 30 EHEDHN C=CCOc1ccc(CNCc2cccc(OC)c2C)cc1OC ZINC000657802183 1031007629 /nfs/dbraw/zinc/00/76/29/1031007629.db2.gz UGIZXXGEPUIDRE-UHFFFAOYSA-N 0 3 327.424 3.867 20 30 EHEDHN N#Cc1ccc(OCCCN2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000729851891 1031014412 /nfs/dbraw/zinc/01/44/12/1031014412.db2.gz DCVPVOACRKRHRR-OAQYLSRUSA-N 0 3 336.435 3.791 20 30 EHEDHN C=C[C@@H](CC(=O)NCCCN1CCc2ccccc2C1)c1ccccc1 ZINC000536155260 1031060436 /nfs/dbraw/zinc/06/04/36/1031060436.db2.gz QKQQWBJPQKRYCM-IBGZPJMESA-N 0 3 348.490 3.911 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)C2=CCCCC2)CC1 ZINC000476954844 1031122433 /nfs/dbraw/zinc/12/24/33/1031122433.db2.gz ZVJFPIFHVPHTDV-UHFFFAOYSA-N 0 3 333.520 3.853 20 30 EHEDHN CN(C(=O)CNC(C)(C)c1ccc(Cl)cc1)C1(C#N)CCCCC1 ZINC000551350421 1031242385 /nfs/dbraw/zinc/24/23/85/1031242385.db2.gz PJCVVTCLDKESAA-UHFFFAOYSA-N 0 3 347.890 3.850 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000343583132 1031482035 /nfs/dbraw/zinc/48/20/35/1031482035.db2.gz LLLDVNHVGRMUSZ-NRFANRHFSA-N 0 3 341.499 3.688 20 30 EHEDHN C=C(Br)CN[C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000161376300 1031503988 /nfs/dbraw/zinc/50/39/88/1031503988.db2.gz XCDMWOMSCOIBNF-OLZOCXBDSA-N 0 3 347.297 3.663 20 30 EHEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000477486976 1031588835 /nfs/dbraw/zinc/58/88/35/1031588835.db2.gz UNSWXPOGOQIGMV-QGZVFWFLSA-N 0 3 336.391 3.503 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCCC3(CCCCC3)C2)CC1 ZINC000477474278 1031593223 /nfs/dbraw/zinc/59/32/23/1031593223.db2.gz VCJBIKRKUGGYTA-UHFFFAOYSA-N 0 3 333.520 3.783 20 30 EHEDHN C=CCN(CC(=O)N[C@H]1CCOc2ccccc21)CC1CCCCC1 ZINC000484671990 1031859111 /nfs/dbraw/zinc/85/91/11/1031859111.db2.gz UKBUBLWISFNIDY-IBGZPJMESA-N 0 3 342.483 3.695 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)C1 ZINC000455911042 1031955211 /nfs/dbraw/zinc/95/52/11/1031955211.db2.gz DHWORBZYCAHARL-OXJNMPFZSA-N 0 3 348.450 3.710 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000598600791 1033309711 /nfs/dbraw/zinc/30/97/11/1033309711.db2.gz KAZXGFUXYAIFMM-KBPBESRZSA-N 0 3 332.341 3.710 20 30 EHEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(Br)cc1F ZINC000598617480 1033329131 /nfs/dbraw/zinc/32/91/31/1033329131.db2.gz SAACGRAZXWGICK-JQWIXIFHSA-N 0 3 343.240 3.540 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594429454 1033365222 /nfs/dbraw/zinc/36/52/22/1033365222.db2.gz UKRMUMIWYPLZAM-IAQYHMDHSA-N 0 3 342.270 3.924 20 30 EHEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)C(c1ccccc1)c1ccccc1 ZINC000594428778 1033365417 /nfs/dbraw/zinc/36/54/17/1033365417.db2.gz OPUYSPLVSBSZJD-FXAWDEMLSA-N 0 3 349.478 3.734 20 30 EHEDHN Cc1ccc(CCC2CCN(C(=O)[C@H](N)CCCCC#N)CC2)cc1 ZINC000594428944 1033365912 /nfs/dbraw/zinc/36/59/12/1033365912.db2.gz OXQYSZUQRSYOTQ-HXUWFJFHSA-N 0 3 341.499 3.578 20 30 EHEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594431560 1033367895 /nfs/dbraw/zinc/36/78/95/1033367895.db2.gz NXDJODSPGIAQSG-GUDVDZBRSA-N 0 3 327.472 3.582 20 30 EHEDHN CC(C)c1nc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2s1 ZINC000594431747 1033368324 /nfs/dbraw/zinc/36/83/24/1033368324.db2.gz QRTBWFVQKPBHBB-ZDUSSCGKSA-N 0 3 330.457 3.769 20 30 EHEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594431558 1033369520 /nfs/dbraw/zinc/36/95/20/1033369520.db2.gz NXDJODSPGIAQSG-CEXWTWQISA-N 0 3 327.472 3.582 20 30 EHEDHN Cc1c2ccccc2oc1[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C ZINC000594434714 1033371329 /nfs/dbraw/zinc/37/13/29/1033371329.db2.gz RWWBWQHWZJYPPW-WMZOPIPTSA-N 0 3 341.455 3.966 20 30 EHEDHN CCN(C(=O)[C@@H](N)CCCCC#N)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000594433313 1033372175 /nfs/dbraw/zinc/37/21/75/1033372175.db2.gz NNXMCOVPZVHCRK-RBUKOAKNSA-N 0 3 347.478 3.653 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000594426806 1033387920 /nfs/dbraw/zinc/38/79/20/1033387920.db2.gz FMVBKHDTORHHIG-ROUUACIJSA-N 0 3 331.435 3.584 20 30 EHEDHN Cc1ccc(-c2csc(NC(=O)[C@H](N)CCCCC#N)n2)s1 ZINC000594427656 1033389156 /nfs/dbraw/zinc/38/91/56/1033389156.db2.gz VVNRITOSNZCUFC-LLVKDONJSA-N 0 3 334.470 3.530 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000594466625 1033408230 /nfs/dbraw/zinc/40/82/30/1033408230.db2.gz BRJPVGUKIFIJCT-MRXNPFEDSA-N 0 3 347.422 3.580 20 30 EHEDHN C=C(CNCc1cnc2ccc(Br)cn12)c1ccccc1 ZINC000608054598 1033472288 /nfs/dbraw/zinc/47/22/88/1033472288.db2.gz UDAPHNBKOCWERF-UHFFFAOYSA-N 0 3 342.240 3.900 20 30 EHEDHN Cc1nn(-c2ccccc2Cl)cc1CN1CCC(CC#N)CC1 ZINC000594605257 1033472830 /nfs/dbraw/zinc/47/28/30/1033472830.db2.gz ISQQROKZYVQAQE-UHFFFAOYSA-N 0 3 328.847 3.960 20 30 EHEDHN CC(C)(C#N)c1ccccc1Cn1cc(CNC2CCCCC2)nn1 ZINC000603249639 1033473954 /nfs/dbraw/zinc/47/39/54/1033473954.db2.gz JHOXUBSHYQJREJ-UHFFFAOYSA-N 0 3 337.471 3.550 20 30 EHEDHN N#Cc1ccc(COc2ccc3c(c2)OCCNC3)c(C(F)(F)F)c1 ZINC000594690701 1033489183 /nfs/dbraw/zinc/48/91/83/1033489183.db2.gz NHULVMSAFCZBAW-UHFFFAOYSA-N 0 3 348.324 3.638 20 30 EHEDHN C=CCC1(C(=O)NC2CCN(CCOC(C)C)CC2)CCCCC1 ZINC000450033609 1033620751 /nfs/dbraw/zinc/62/07/51/1033620751.db2.gz RQZCGAIJVQUPOL-UHFFFAOYSA-N 0 3 336.520 3.519 20 30 EHEDHN Cc1sc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c(C#N)c1C ZINC000593002274 1033793201 /nfs/dbraw/zinc/79/32/01/1033793201.db2.gz AMELYIRUWPQYFT-JQWIXIFHSA-N 0 3 346.374 3.923 20 30 EHEDHN N#CC1(C[C@H](O)CN2CCC[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000599259642 1033838911 /nfs/dbraw/zinc/83/89/11/1033838911.db2.gz PLTYJQPSXJMSKY-ZWKOTPCHSA-N 0 3 348.874 3.548 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)cc3c(C)ccnc23)CC1 ZINC000550706819 1033898323 /nfs/dbraw/zinc/89/83/23/1033898323.db2.gz JADUNSDWTIJNFC-UHFFFAOYSA-N 0 3 337.467 3.622 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595602186 1033915790 /nfs/dbraw/zinc/91/57/90/1033915790.db2.gz HHMLUXBIMCWHTG-CJNGLKHVSA-N 0 3 342.399 3.869 20 30 EHEDHN CC(C)C[C@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000609011107 1033975965 /nfs/dbraw/zinc/97/59/65/1033975965.db2.gz AOIBXJIOZZAXSD-KRWDZBQOSA-N 0 3 329.488 3.521 20 30 EHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCCCc1ccccc1 ZINC000603894084 1034016685 /nfs/dbraw/zinc/01/66/85/1034016685.db2.gz KKTUKCVNCZYWJW-GOSISDBHSA-N 0 3 341.499 3.672 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC2(CC2)CC1 ZINC000599672897 1034079589 /nfs/dbraw/zinc/07/95/89/1034079589.db2.gz IRQZDXHQKGATIT-QGZVFWFLSA-N 0 3 325.456 3.588 20 30 EHEDHN C=C(C)COc1cc(CN2CC(C3CCOCC3)C2)ccc1OC ZINC000669715455 1034352265 /nfs/dbraw/zinc/35/22/65/1034352265.db2.gz MRYIBWOBNCSIIE-UHFFFAOYSA-N 0 3 331.456 3.509 20 30 EHEDHN CCCN(CC(=O)N(CCC#N)c1cc(C)cc(C)c1)CC1CC1 ZINC000302834400 1034377547 /nfs/dbraw/zinc/37/75/47/1034377547.db2.gz UHAJBHJBJHFCDR-UHFFFAOYSA-N 0 3 327.472 3.672 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000596894127 1034430628 /nfs/dbraw/zinc/43/06/28/1034430628.db2.gz HHJMHLZHWXWEGL-HKUYNNGSSA-N 0 3 339.483 3.802 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C2CC2)cc1 ZINC000596973930 1034474290 /nfs/dbraw/zinc/47/42/90/1034474290.db2.gz NIMWZQXGKWAAHP-UHFFFAOYSA-N 0 3 347.462 3.640 20 30 EHEDHN CC(C)[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000136239924 1034528772 /nfs/dbraw/zinc/52/87/72/1034528772.db2.gz FCFGHDQNLBDUEH-HXUWFJFHSA-N 0 3 340.398 3.955 20 30 EHEDHN Cc1ccc(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000180068064 1035345067 /nfs/dbraw/zinc/34/50/67/1035345067.db2.gz ZVTKKVMHCBVSME-UHFFFAOYSA-N 0 3 336.464 3.961 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@](C)(O)c2cc(C)oc2C)c([O-])c1 ZINC000255882897 1035402698 /nfs/dbraw/zinc/40/26/98/1035402698.db2.gz HSULNFWIQOIYHH-COVVZGLNSA-N 0 3 344.455 3.775 20 30 EHEDHN N#CC(C(=O)c1cnn(-c2ccccc2)c1)c1ccc2ccccc2n1 ZINC000613290829 1035501183 /nfs/dbraw/zinc/50/11/83/1035501183.db2.gz NMDXCWADEDVYBS-GOSISDBHSA-N 0 3 338.370 3.911 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCC[C@H](C)C1 ZINC000187908660 1035866845 /nfs/dbraw/zinc/86/68/45/1035866845.db2.gz CBPJOUNGUBUARQ-HOTGVXAUSA-N 0 3 331.435 3.583 20 30 EHEDHN C=C[C@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000535371956 1036407231 /nfs/dbraw/zinc/40/72/31/1036407231.db2.gz MMOUQJZURRGXKU-CTNGQTDRSA-N 0 3 334.463 3.737 20 30 EHEDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000157072917 1036470549 /nfs/dbraw/zinc/47/05/49/1036470549.db2.gz DBADEJYDWHLFIN-OAHLLOKOSA-N 0 3 337.423 3.503 20 30 EHEDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000157072768 1036472219 /nfs/dbraw/zinc/47/22/19/1036472219.db2.gz DBADEJYDWHLFIN-HNNXBMFYSA-N 0 3 337.423 3.503 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)C2CCCCC2)c1C ZINC000051558892 1036934047 /nfs/dbraw/zinc/93/40/47/1036934047.db2.gz IGPGFZBWECZPMG-UHFFFAOYSA-N 0 3 327.472 3.815 20 30 EHEDHN Cc1cc(C#N)ccc1CN[C@H](c1cccs1)C1(CO)CCC1 ZINC000590765342 1037029625 /nfs/dbraw/zinc/02/96/25/1037029625.db2.gz NBDRZAWYQFQFFB-GOSISDBHSA-N 0 3 326.465 3.922 20 30 EHEDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000539685401 1037068798 /nfs/dbraw/zinc/06/87/98/1037068798.db2.gz MZTHADLNHSLESL-UHFFFAOYSA-N 0 3 349.434 3.564 20 30 EHEDHN CN(CCC1(C#N)CCCCC1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000591016822 1037190524 /nfs/dbraw/zinc/19/05/24/1037190524.db2.gz SORJBPLZSCFNJG-UHFFFAOYSA-N 0 3 339.483 3.875 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)c2ccc(C)cc2)CC1 ZINC000106275524 1037319425 /nfs/dbraw/zinc/31/94/25/1037319425.db2.gz JAAIBBCAXZZXSY-IBGZPJMESA-N 0 3 329.488 3.786 20 30 EHEDHN N#CCC[C@@H](C#N)CNCC1(c2ccc(Br)cc2)CCC1 ZINC000591727929 1037571344 /nfs/dbraw/zinc/57/13/44/1037571344.db2.gz LZXAUAWAJVWDSJ-AWEZNQCLSA-N 0 3 346.272 3.904 20 30 EHEDHN N#CCC[C@H](C#N)CNCC1(c2ccc(Br)cc2)CCC1 ZINC000591727930 1037571509 /nfs/dbraw/zinc/57/15/09/1037571509.db2.gz LZXAUAWAJVWDSJ-CQSZACIVSA-N 0 3 346.272 3.904 20 30 EHEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000177541232 1037588988 /nfs/dbraw/zinc/58/89/88/1037588988.db2.gz JTCUECVYVAHFLJ-NQIIRXRSSA-N 0 3 347.462 3.811 20 30 EHEDHN Cc1cc(C)n(-c2ccc(CN(C)Cc3cccc(C#N)c3)cc2)n1 ZINC000026329170 1037612810 /nfs/dbraw/zinc/61/28/10/1037612810.db2.gz QQZSCIFUQMLLGT-UHFFFAOYSA-N 0 3 330.435 3.993 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000493788103 1037613927 /nfs/dbraw/zinc/61/39/27/1037613927.db2.gz MMMRZYHYZSPRSD-SJORKVTESA-N 0 3 335.536 3.883 20 30 EHEDHN CCc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000271204368 1037667485 /nfs/dbraw/zinc/66/74/85/1037667485.db2.gz XNYFKLLQEQMQIL-UHFFFAOYSA-N 0 3 337.423 3.564 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CCC)Cc2ccc(C)cc2)CC1 ZINC000592301949 1037911707 /nfs/dbraw/zinc/91/17/07/1037911707.db2.gz GDFAIPVTECZALL-UHFFFAOYSA-N 0 3 343.515 3.957 20 30 EHEDHN C=CC[C@H](C)N[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000539070358 1038670627 /nfs/dbraw/zinc/67/06/27/1038670627.db2.gz FNQVMWXCGXFMGW-RYUDHWBXSA-N 0 3 349.276 3.953 20 30 EHEDHN C=CCC[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1ccco1 ZINC000552046888 1038911659 /nfs/dbraw/zinc/91/16/59/1038911659.db2.gz VMRNVOGVTKWATB-GFCCVEGCSA-N 0 3 340.349 3.797 20 30 EHEDHN CN(CC#Cc1ccc(Cl)cc1)CCCN(C)Cc1ccco1 ZINC000552059030 1038925668 /nfs/dbraw/zinc/92/56/68/1038925668.db2.gz JRSDBRXTUBPQSD-UHFFFAOYSA-N 0 3 330.859 3.738 20 30 EHEDHN C=CCC[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1ccco1 ZINC000552251399 1039130769 /nfs/dbraw/zinc/13/07/69/1039130769.db2.gz VNNRHJVMHMFCLU-GUYCJALGSA-N 0 3 337.366 3.595 20 30 EHEDHN Cc1ccc(C)c([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000488465477 1039206226 /nfs/dbraw/zinc/20/62/26/1039206226.db2.gz OISJOLNJAXMCHN-DYESRHJHSA-N 0 3 347.462 3.627 20 30 EHEDHN Cc1oc(NC(=O)CN[C@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000054610748 1039582194 /nfs/dbraw/zinc/58/21/94/1039582194.db2.gz MIPWHYZNHSPDRC-SFHVURJKSA-N 0 3 325.412 3.694 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000912358687 1039833891 /nfs/dbraw/zinc/83/38/91/1039833891.db2.gz DNHVSHZMJSGSMM-KRWDZBQOSA-N 0 3 347.503 3.713 20 30 EHEDHN C=CCCN(C)Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000893928960 1039838745 /nfs/dbraw/zinc/83/87/45/1039838745.db2.gz AXHYYSMKLZFYKN-UHFFFAOYSA-N 0 3 348.487 3.846 20 30 EHEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000912464314 1039906470 /nfs/dbraw/zinc/90/64/70/1039906470.db2.gz RENXNSMPYNLXLG-GUYCJALGSA-N 0 3 343.496 3.979 20 30 EHEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(/C=C\C)cc1OC ZINC000489440901 1039963111 /nfs/dbraw/zinc/96/31/11/1039963111.db2.gz QLGIJCMYRCHURJ-JKPUVNEQSA-N 0 3 331.456 3.509 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)[C@@]1(C#N)CC2CCC1CC2)c1ccco1 ZINC000899080312 1039986285 /nfs/dbraw/zinc/98/62/85/1039986285.db2.gz SMOBEHVAKHUCAS-HHYSZARNSA-N 0 3 343.471 3.545 20 30 EHEDHN CC(C)[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000029112985 1040139683 /nfs/dbraw/zinc/13/96/83/1040139683.db2.gz DPMFTURVRORFSD-OAQYLSRUSA-N 0 3 335.451 3.920 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2c(OC)cccc2SC)CC1 ZINC000417666701 1040143802 /nfs/dbraw/zinc/14/38/02/1040143802.db2.gz DUBBYERKVSOALU-UHFFFAOYSA-N 0 3 349.500 3.579 20 30 EHEDHN CCCN(CCCSCC#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490032776 1040301486 /nfs/dbraw/zinc/30/14/86/1040301486.db2.gz BXOGWBHLGVIFNU-MRXNPFEDSA-N 0 3 333.501 3.681 20 30 EHEDHN C[C@@H](NC[C@H](C)N1CCc2sccc2C1)c1ccc(C#N)cc1F ZINC000512631594 1040332639 /nfs/dbraw/zinc/33/26/39/1040332639.db2.gz RSNNLAXGECSSOM-UONOGXRCSA-N 0 3 343.471 3.856 20 30 EHEDHN C[C@@H](NC[C@H](c1cccc(F)c1)N(C)C)c1ccc(C#N)cc1F ZINC000512667492 1040463027 /nfs/dbraw/zinc/46/30/27/1040463027.db2.gz PWIQBYSOKBOIGN-BFUOFWGJSA-N 0 3 329.394 3.790 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000433019940 1040467549 /nfs/dbraw/zinc/46/75/49/1040467549.db2.gz LPPKRCMUACAYAK-LJQANCHMSA-N 0 3 332.407 3.522 20 30 EHEDHN C=C(CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000479814954 1040640474 /nfs/dbraw/zinc/64/04/74/1040640474.db2.gz NNMPXHNBVQSFNO-NRFANRHFSA-N 0 3 349.478 3.836 20 30 EHEDHN CC(C)[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CCN1C ZINC000487080068 1040692167 /nfs/dbraw/zinc/69/21/67/1040692167.db2.gz DSCYILHJJODZAR-HNNXBMFYSA-N 0 3 346.837 3.675 20 30 EHEDHN CCC[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)C ZINC000120506501 1041092809 /nfs/dbraw/zinc/09/28/09/1041092809.db2.gz KOYIFNKGHAIQBK-LJQANCHMSA-N 0 3 329.488 3.521 20 30 EHEDHN N#Cc1ccc(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000511876077 1041815886 /nfs/dbraw/zinc/81/58/86/1041815886.db2.gz RBQHAOUSNSRSDG-NJYVYQBISA-N 0 3 345.446 3.765 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661405192 1042102091 /nfs/dbraw/zinc/10/20/91/1042102091.db2.gz UBGIJDFERHIYTP-GOSISDBHSA-N 0 3 329.488 3.647 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000662084393 1042501745 /nfs/dbraw/zinc/50/17/45/1042501745.db2.gz RBYWRGNZPCRYGL-BMFZPTHFSA-N 0 3 325.412 3.989 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000662082321 1042504328 /nfs/dbraw/zinc/50/43/28/1042504328.db2.gz SXKNCQRJEQCPPS-YUELXQCFSA-N 0 3 336.382 3.798 20 30 EHEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1 ZINC000187352368 1043950831 /nfs/dbraw/zinc/95/08/31/1043950831.db2.gz WMBGRTLIZDBCNP-HBMCJLEFSA-N 0 3 334.463 3.908 20 30 EHEDHN C=CCN1C(=O)c2ccccc2N[C@@]12CCN(C)[C@@H](c1ccccc1)C2 ZINC000414186028 1125595320 /nfs/dbraw/zinc/59/53/20/1125595320.db2.gz OWURMJXSHCTJAH-IRLDBZIGSA-N 0 3 347.462 3.904 20 30 EHEDHN C#CCC(C)(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000184994260 1126732237 /nfs/dbraw/zinc/73/22/37/1126732237.db2.gz AZGPWKQEFGPMHG-MRXNPFEDSA-N 0 3 332.513 3.687 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000623634953 1126998718 /nfs/dbraw/zinc/99/87/18/1126998718.db2.gz JMHIJVHTYVZYMG-SFHVURJKSA-N 0 3 347.890 3.667 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000186274510 1128371570 /nfs/dbraw/zinc/37/15/70/1128371570.db2.gz WTQBGOFNQXOZND-UHFFFAOYSA-N 0 3 339.483 3.528 20 30 EHEDHN COc1ccc([C@H](CNc2c(C#N)cccc2C#N)N2CCCC2)cc1 ZINC000302850635 1128651572 /nfs/dbraw/zinc/65/15/72/1128651572.db2.gz PQWAWUICVUBLQY-FQEVSTJZSA-N 0 3 346.434 3.688 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(C)Cc1ccc(Cl)cc1 ZINC000303930680 1128709098 /nfs/dbraw/zinc/70/90/98/1128709098.db2.gz XAELURKFEMCAKA-UHFFFAOYSA-N 0 3 330.815 3.731 20 30 EHEDHN Cc1ccc(CN[C@@H]2Cc3ccc(C#N)cc3C2)c(Br)c1 ZINC001203446153 1128731251 /nfs/dbraw/zinc/73/12/51/1128731251.db2.gz DCINGWGCPBYZHB-QGZVFWFLSA-N 0 3 341.252 3.886 20 30 EHEDHN N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000765928673 1128760244 /nfs/dbraw/zinc/76/02/44/1128760244.db2.gz YQENPUSEJCOHEM-JLSDUUJJSA-N 0 3 347.890 3.682 20 30 EHEDHN N#Cc1ccc(N2CCN(CCc3ccccc3)CC2)cc1Cl ZINC000110672228 1128799376 /nfs/dbraw/zinc/79/93/76/1128799376.db2.gz JFWMYLAETQXRKF-UHFFFAOYSA-N 0 3 325.843 3.576 20 30 EHEDHN N#Cc1nc(N[C@H]2CCCN(Cc3ccccc3)C2)ccc1Cl ZINC000111217897 1128852509 /nfs/dbraw/zinc/85/25/09/1128852509.db2.gz NHHRGIGNPVCFAM-HNNXBMFYSA-N 0 3 326.831 3.683 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2Cc3ccccc3C[C@@H]2CC)CC1 ZINC000184867514 1120390615 /nfs/dbraw/zinc/39/06/15/1120390615.db2.gz CYRGQLWTEBZATK-FQEVSTJZSA-N 0 3 341.499 3.573 20 30 EHEDHN C=CCn1c(SCCN2CCCCC2)nnc1-c1ccc(F)cc1 ZINC000494298953 1120529818 /nfs/dbraw/zinc/52/98/18/1120529818.db2.gz RZOQXVNIIZAMOX-UHFFFAOYSA-N 0 3 346.475 3.848 20 30 EHEDHN C=CCCCCCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000193575801 1120785967 /nfs/dbraw/zinc/78/59/67/1120785967.db2.gz YMPRSKIQQKRRPM-UHFFFAOYSA-N 0 3 348.438 3.815 20 30 EHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(C2CC2)CC1 ZINC000542524051 1120907893 /nfs/dbraw/zinc/90/78/93/1120907893.db2.gz HXKPNWFFXHLYHC-CYBMUJFWSA-N 0 3 329.469 3.552 20 30 EHEDHN C[C@@H](N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(C#N)cc1F ZINC000494971550 1120918536 /nfs/dbraw/zinc/91/85/36/1120918536.db2.gz MMPAJESFYPHWGS-SJKOYZFVSA-N 0 3 347.434 3.651 20 30 EHEDHN CC[C@@H](C/N=C/c1c(O)cccc1OC)N1CCc2ccccc2C1 ZINC000914701902 1120956158 /nfs/dbraw/zinc/95/61/58/1120956158.db2.gz RCHGNPXLVYNZAU-OVBDPADQSA-N 0 3 338.451 3.657 20 30 EHEDHN C[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(C#N)cc1F ZINC000495281164 1121036040 /nfs/dbraw/zinc/03/60/40/1121036040.db2.gz JZKWTPRDUPIQDG-SJKOYZFVSA-N 0 3 347.434 3.651 20 30 EHEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000272299106 1121514762 /nfs/dbraw/zinc/51/47/62/1121514762.db2.gz QXQQVPQBPKCPCC-OAHLLOKOSA-N 0 3 347.418 3.855 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ncc(C#N)cc1Cl ZINC000077236672 1129001445 /nfs/dbraw/zinc/00/14/45/1129001445.db2.gz LIWROJTWQZQHTO-OAHLLOKOSA-N 0 3 340.858 3.707 20 30 EHEDHN COc1cc(CNCc2ccc(OCC#N)cc2)ccc1SC ZINC000171769315 1121755722 /nfs/dbraw/zinc/75/57/22/1121755722.db2.gz KUSYFBGREPAXGC-UHFFFAOYSA-N 0 3 328.437 3.609 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000915983253 1122008363 /nfs/dbraw/zinc/00/83/63/1122008363.db2.gz VJOWEAYNQXZTAV-CPNJWEJPSA-N 0 3 327.384 3.766 20 30 EHEDHN Cn1cc(CN2CCC[C@H]2c2ccncc2)c(-c2ccc(C#N)cc2)n1 ZINC000272766431 1122137470 /nfs/dbraw/zinc/13/74/70/1122137470.db2.gz AEXQMEYOUHSLEP-FQEVSTJZSA-N 0 3 343.434 3.691 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1ccccc1 ZINC000916622827 1122220410 /nfs/dbraw/zinc/22/04/10/1122220410.db2.gz NDRCDHMBZPILPZ-OAHLLOKOSA-N 0 3 335.432 3.605 20 30 EHEDHN Cc1oc(-c2ccccc2)nc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000916898692 1122382307 /nfs/dbraw/zinc/38/23/07/1122382307.db2.gz GYXQYEPOQPGJOF-INIZCTEOSA-N 0 3 345.358 3.611 20 30 EHEDHN C[C@H](C1CC1)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100132 1122499000 /nfs/dbraw/zinc/49/90/00/1122499000.db2.gz JJESVWDJTQLPSO-DOMZBBRYSA-N 0 3 339.464 3.735 20 30 EHEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(Oc3ccccc3)cc2)C1=O ZINC000499598660 1129064031 /nfs/dbraw/zinc/06/40/31/1129064031.db2.gz AHFQXZMPCQCCHN-UZLBHIALSA-N 0 3 336.435 3.916 20 30 EHEDHN N#CCOc1ccc(CNCc2cc(F)cc(Br)c2)cc1 ZINC000917520815 1122620330 /nfs/dbraw/zinc/62/03/30/1122620330.db2.gz UAZXNGHBOLIFBC-UHFFFAOYSA-N 0 3 349.203 3.780 20 30 EHEDHN CCOc1ccc(O)c(/C=N/C[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000921262041 1123501021 /nfs/dbraw/zinc/50/10/21/1123501021.db2.gz ZBMMDDRBVUIJQB-DBRLUCFCSA-N 0 3 326.440 3.821 20 30 EHEDHN CC[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000735311802 1131334344 /nfs/dbraw/zinc/33/43/44/1131334344.db2.gz VTIXUYSWOAMFNE-LSDHHAIUSA-N 0 3 341.480 3.985 20 30 EHEDHN N#Cc1ccccc1N1CCCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000619068194 1125271359 /nfs/dbraw/zinc/27/13/59/1125271359.db2.gz WYAYDTCUISNLRU-UHFFFAOYSA-N 0 3 330.435 3.752 20 30 EHEDHN CC(C)(CNCc1cc(C#N)ccc1Br)c1cccnc1 ZINC000922188435 1129320992 /nfs/dbraw/zinc/32/09/92/1129320992.db2.gz ZABOJAHIAWFKDP-UHFFFAOYSA-N 0 3 344.256 3.783 20 30 EHEDHN Cc1cnc(CCNCc2cc(C#N)ccc2Br)c(C)c1 ZINC000922227452 1129377732 /nfs/dbraw/zinc/37/77/32/1129377732.db2.gz WOWQSDMFNVTPDV-UHFFFAOYSA-N 0 3 344.256 3.665 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000466378396 1129409843 /nfs/dbraw/zinc/40/98/43/1129409843.db2.gz LYYHTDRWPKZPQL-HKUYNNGSSA-N 0 3 329.488 3.647 20 30 EHEDHN C=CCCO[C@H](C)C(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000347713775 1129470987 /nfs/dbraw/zinc/47/09/87/1129470987.db2.gz UFPKOKPJPKNWTK-QWFCFKBJSA-N 0 3 344.499 3.652 20 30 EHEDHN Cc1ccccc1C(=O)NC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118393211 1129507916 /nfs/dbraw/zinc/50/79/16/1129507916.db2.gz ZFWJQSLJYNPCKG-KRWDZBQOSA-N 0 3 347.462 3.822 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)nc21 ZINC000735791694 1131381093 /nfs/dbraw/zinc/38/10/93/1131381093.db2.gz BOUXMKLUPZNAPD-HRCADAONSA-N 0 3 333.366 3.990 20 30 EHEDHN Cc1cc(CO)cc(C)c1CNCc1cccc(OCCCC#N)c1 ZINC000922560688 1129570162 /nfs/dbraw/zinc/57/01/62/1129570162.db2.gz KREXRNNESOFIEA-UHFFFAOYSA-N 0 3 338.451 3.768 20 30 EHEDHN C=CCc1cc(CNCc2c(C)cc(CO)cc2C)cc(OC)c1O ZINC000922562314 1129571223 /nfs/dbraw/zinc/57/12/23/1129571223.db2.gz XHHCOBKSJUWHFZ-UHFFFAOYSA-N 0 3 341.451 3.528 20 30 EHEDHN C=CCN1CCC(NC(=O)NCC(C)(C)c2ccccc2Cl)CC1 ZINC000171733631 1130083457 /nfs/dbraw/zinc/08/34/57/1130083457.db2.gz CXJDAJCGJNKHAX-UHFFFAOYSA-N 0 3 349.906 3.567 20 30 EHEDHN N#Cc1ccc(CNCC2(c3cccc(Br)c3)CC2)o1 ZINC000174398817 1130355724 /nfs/dbraw/zinc/35/57/24/1130355724.db2.gz QGXRDHDXOOXSGM-UHFFFAOYSA-N 0 3 331.213 3.735 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000731288628 1130783156 /nfs/dbraw/zinc/78/31/56/1130783156.db2.gz YOKNNSCRWPSQHR-XUVXKRRUSA-N 0 3 348.446 3.959 20 30 EHEDHN CCCC[C@@H](CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C#N)CCC1 ZINC001273378701 1131567067 /nfs/dbraw/zinc/56/70/67/1131567067.db2.gz KVMXRSAFEKWYCX-KURKYZTESA-N 0 3 331.504 3.572 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3ccccc3)cc2F)CC1 ZINC000742285191 1131704923 /nfs/dbraw/zinc/70/49/23/1131704923.db2.gz NJWHFOGELCCMOX-UHFFFAOYSA-N 0 3 336.410 3.776 20 30 EHEDHN C#CCN([C@@H]1CCc2ccccc21)[C@@H]1COc2cccc(OC)c2C1 ZINC001173160946 1131988240 /nfs/dbraw/zinc/98/82/40/1131988240.db2.gz NFEVPHBMCURFKL-FXAWDEMLSA-N 0 3 333.431 3.621 20 30 EHEDHN C=CCOc1ccccc1[C@H](C)N[C@H]1COc2cccc(OC)c2C1 ZINC001173160626 1131988396 /nfs/dbraw/zinc/98/83/96/1131988396.db2.gz JEQCVAXLRVYPIN-JKSUJKDBSA-N 0 3 339.435 3.914 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 ZINC000744032600 1132014217 /nfs/dbraw/zinc/01/42/17/1132014217.db2.gz MGALLHVLMSFXMK-KOLCDFICSA-N 0 3 334.734 3.523 20 30 EHEDHN CC[C@]1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744421256 1132087322 /nfs/dbraw/zinc/08/73/22/1132087322.db2.gz YPKGHJBTIWPICF-IFXJQAMLSA-N 0 3 341.480 3.985 20 30 EHEDHN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC001174891594 1132496471 /nfs/dbraw/zinc/49/64/71/1132496471.db2.gz UGLBEHNDYYQZGS-GOSISDBHSA-N 0 3 341.499 3.904 20 30 EHEDHN C[C@H]1C[C@@H](NCc2ccc(Cl)c(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001168840399 1132578253 /nfs/dbraw/zinc/57/82/53/1132578253.db2.gz VCWKKAAJCPHHHZ-SWLSCSKDSA-N 0 3 349.862 3.699 20 30 EHEDHN C#Cc1ccc(NC(=O)CCN(C)Cc2ccc(F)c(Cl)c2)cc1 ZINC001169261239 1132712299 /nfs/dbraw/zinc/71/22/99/1132712299.db2.gz NFKBLGOQRKFMGN-UHFFFAOYSA-N 0 3 344.817 3.921 20 30 EHEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC(F)CC3)sc2C1 ZINC001175733323 1132747464 /nfs/dbraw/zinc/74/74/64/1132747464.db2.gz MFJOLXJRHUYBJF-LBPRGKRZSA-N 0 3 349.475 3.507 20 30 EHEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)c(F)c3F)cc2)CC1 ZINC001175782374 1132765346 /nfs/dbraw/zinc/76/53/46/1132765346.db2.gz SWGYWRDJYPYJTL-UHFFFAOYSA-N 0 3 342.393 3.722 20 30 EHEDHN COc1cc2c(cc1OC)[C@H](C)N(CCc1ccc(C#N)cc1)CC2 ZINC001175882741 1132780655 /nfs/dbraw/zinc/78/06/55/1132780655.db2.gz KOAIISLFDFUCPY-HNNXBMFYSA-N 0 3 336.435 3.737 20 30 EHEDHN CC(C)(NC[C@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1F ZINC001169613331 1132805597 /nfs/dbraw/zinc/80/55/97/1132805597.db2.gz IFAALFWWVWVASD-INIZCTEOSA-N 0 3 332.806 3.909 20 30 EHEDHN C=CCN(C)CCN(CC)Cc1cc(Br)ccc1F ZINC001169832401 1132863020 /nfs/dbraw/zinc/86/30/20/1132863020.db2.gz HNHCMMUGWKIODR-UHFFFAOYSA-N 0 3 329.257 3.528 20 30 EHEDHN N#Cc1ccc(C2CCN([C@@H]3CCc4ccccc4NC3=O)CC2)cc1 ZINC001176577721 1132970336 /nfs/dbraw/zinc/97/03/36/1132970336.db2.gz GKHQXIZVCUSRLA-OAQYLSRUSA-N 0 3 345.446 3.691 20 30 EHEDHN CCCCCCN(C)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767976995 1133075726 /nfs/dbraw/zinc/07/57/26/1133075726.db2.gz BLONLNLUGWTGJY-UHFFFAOYSA-N 0 3 339.483 3.686 20 30 EHEDHN CC(C)CN(CCC#N)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768155017 1133102130 /nfs/dbraw/zinc/10/21/30/1133102130.db2.gz UZUOCMMVTFQBTM-UHFFFAOYSA-N 0 3 337.508 3.895 20 30 EHEDHN C#CC[C@H]1CCCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000829809572 1133126325 /nfs/dbraw/zinc/12/63/25/1133126325.db2.gz DPOMDFXKSCSRFT-LBPRGKRZSA-N 0 3 332.245 3.561 20 30 EHEDHN CC(C)N(Cc1cnc2ccc(C#N)cn12)Cc1ccc(N(C)C)cc1 ZINC000768354064 1133128879 /nfs/dbraw/zinc/12/88/79/1133128879.db2.gz WDROGJIBTOERAV-UHFFFAOYSA-N 0 3 347.466 3.683 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC001178758780 1133196432 /nfs/dbraw/zinc/19/64/32/1133196432.db2.gz IEPYFBHKENQVLG-UHFFFAOYSA-N 0 3 349.434 3.856 20 30 EHEDHN C=CCOc1ccccc1CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769195207 1133241740 /nfs/dbraw/zinc/24/17/40/1133241740.db2.gz LJMZSRGFYFTZLL-INIZCTEOSA-N 0 3 346.471 3.598 20 30 EHEDHN CSC=CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000771578869 1133573792 /nfs/dbraw/zinc/57/37/92/1133573792.db2.gz POPKXMRTUNZOAK-KXMPLOMGSA-N 0 3 329.208 3.517 20 30 EHEDHN CCc1ccc(C2=CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000772353770 1133674564 /nfs/dbraw/zinc/67/45/64/1133674564.db2.gz DTCCBUIRLVMJQD-QFIPXVFZSA-N 0 3 332.447 3.943 20 30 EHEDHN COc1cc(CN2CCC3(CCc4ccccc4O3)CC2)ccc1C#N ZINC001182968216 1133751849 /nfs/dbraw/zinc/75/18/49/1133751849.db2.gz BVBVOFAPHKHFME-UHFFFAOYSA-N 0 3 348.446 3.927 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000786295216 1133829151 /nfs/dbraw/zinc/82/91/51/1133829151.db2.gz BBQWCWWAIBCAMV-HOCLYGCPSA-N 0 3 339.439 3.677 20 30 EHEDHN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786529835 1133862282 /nfs/dbraw/zinc/86/22/82/1133862282.db2.gz DMDHMAUTPREEKW-SWLSCSKDSA-N 0 3 334.847 3.737 20 30 EHEDHN CC(C)(C)CCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786572744 1133875583 /nfs/dbraw/zinc/87/55/83/1133875583.db2.gz ZWEXMMSOWNGSMJ-ZDUSSCGKSA-N 0 3 336.382 3.506 20 30 EHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(N2CCOC2=O)cc1 ZINC000787034206 1133940985 /nfs/dbraw/zinc/94/09/85/1133940985.db2.gz SIPDBKUYAJPRMN-XOBRGWDASA-N 0 3 347.418 3.853 20 30 EHEDHN C=C1CC(C)(C(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)C1 ZINC001184787423 1133989824 /nfs/dbraw/zinc/98/98/24/1133989824.db2.gz LDBDGAJCXJXTBE-UHFFFAOYSA-N 0 3 330.447 3.605 20 30 EHEDHN C#CCCOc1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000787769850 1134039636 /nfs/dbraw/zinc/03/96/36/1134039636.db2.gz LKWIAEQYSKJARS-NRFANRHFSA-N 0 3 337.463 3.938 20 30 EHEDHN C#CCOc1cccc(Cl)c1CNC[C@H](c1ccnn1C)C(C)C ZINC000788075941 1134077351 /nfs/dbraw/zinc/07/73/51/1134077351.db2.gz LGMLBYSLRUWMFQ-HNNXBMFYSA-N 0 3 345.874 3.615 20 30 EHEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](c1ccnn1C)C(C)C ZINC000788075943 1134077424 /nfs/dbraw/zinc/07/74/24/1134077424.db2.gz LGMLBYSLRUWMFQ-OAHLLOKOSA-N 0 3 345.874 3.615 20 30 EHEDHN N#Cc1nc(NC[C@@H]2CCCN2Cc2ccccc2)sc1Cl ZINC001185421502 1134082972 /nfs/dbraw/zinc/08/29/72/1134082972.db2.gz WVUYPKFZIGGWSE-ZDUSSCGKSA-N 0 3 332.860 3.745 20 30 EHEDHN COc1ccc(CNCc2c[nH]nc2-c2ccc(C)cc2)cc1C#N ZINC000746740785 1134105388 /nfs/dbraw/zinc/10/53/88/1134105388.db2.gz HUNHXBUXCFWJDU-UHFFFAOYSA-N 0 3 332.407 3.555 20 30 EHEDHN C#CCC1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC000788460370 1134128089 /nfs/dbraw/zinc/12/80/89/1134128089.db2.gz QECPCNZJPCWXOV-QUCCMNQESA-N 0 3 338.495 3.597 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](COC)[C@@H]2CCCO2)cc1 ZINC000788620042 1134152339 /nfs/dbraw/zinc/15/23/39/1134152339.db2.gz UJFOHZRZJMVEKT-WBAXXEDZSA-N 0 3 339.863 3.663 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1c(C)cccc1Cl ZINC000790768064 1134458899 /nfs/dbraw/zinc/45/88/99/1134458899.db2.gz RCEWFQQKUXXFQE-OAHLLOKOSA-N 0 3 334.847 3.596 20 30 EHEDHN N#Cc1cccc(SCCCN2CCN(c3ccccc3)CC2)c1 ZINC001188863651 1134514189 /nfs/dbraw/zinc/51/41/89/1134514189.db2.gz LPFZGJSFHKCWEO-UHFFFAOYSA-N 0 3 337.492 3.863 20 30 EHEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@@H]3CCCN(C)[C@@H]3C2)c1 ZINC001189268176 1134565290 /nfs/dbraw/zinc/56/52/90/1134565290.db2.gz WKYUYFSHZKJHJC-PKOBYXMFSA-N 0 3 341.499 3.690 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)NC1c2ccccc2-c2ccccc21 ZINC001190058987 1134653399 /nfs/dbraw/zinc/65/33/99/1134653399.db2.gz LMFSNQOTWVKDJP-INIZCTEOSA-N 0 3 347.462 3.706 20 30 EHEDHN N#Cc1ccc(CNc2nc3cccc(Br)c3[nH]2)s1 ZINC001170203176 1134714244 /nfs/dbraw/zinc/71/42/44/1134714244.db2.gz MWAXQWITZQIRON-UHFFFAOYSA-N 0 3 333.214 3.871 20 30 EHEDHN N#Cc1cnc2ccccc2c1N1CCN(CCCC2CCC2)CC1 ZINC001190762408 1134741898 /nfs/dbraw/zinc/74/18/98/1134741898.db2.gz ZPBOWGVXIKQTSR-UHFFFAOYSA-N 0 3 334.467 3.809 20 30 EHEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1([C@H]2CCCCO2)CCC1 ZINC001194250232 1135250188 /nfs/dbraw/zinc/25/01/88/1135250188.db2.gz BBZPSSGJOYRQGY-LJQANCHMSA-N 0 3 333.472 3.889 20 30 EHEDHN C=CCOC(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001194328040 1135257010 /nfs/dbraw/zinc/25/70/10/1135257010.db2.gz HCXKFJNOOAHMSO-UHFFFAOYSA-N 0 3 342.361 3.582 20 30 EHEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2Br)C12CCC2 ZINC001194445721 1135274119 /nfs/dbraw/zinc/27/41/19/1135274119.db2.gz KODGKBYZFKNRTL-HZPDHXFCSA-N 0 3 349.272 3.758 20 30 EHEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC001194505047 1135278986 /nfs/dbraw/zinc/27/89/86/1135278986.db2.gz JIQPXUCDEUEGMA-RTWAWAEBSA-N 0 3 326.484 3.816 20 30 EHEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC001194505046 1135279225 /nfs/dbraw/zinc/27/92/25/1135279225.db2.gz JIQPXUCDEUEGMA-NHCUHLMSSA-N 0 3 326.484 3.816 20 30 EHEDHN C#CCN(CC#C)C1C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170497233 1135375616 /nfs/dbraw/zinc/37/56/16/1135375616.db2.gz PTJWQUXHPQQZET-IRXDYDNUSA-N 0 3 332.488 3.512 20 30 EHEDHN Cc1cc(Br)cc(C[N@H+](C)Cc2cccc(C#N)c2)c1[O-] ZINC000775649181 1135413652 /nfs/dbraw/zinc/41/36/52/1135413652.db2.gz MBKZEQZIRUTBGN-UHFFFAOYSA-N 0 3 345.240 3.967 20 30 EHEDHN Cc1cc(Br)cc(C[N@@H+](C)Cc2cccc(C#N)c2)c1[O-] ZINC000775649181 1135413654 /nfs/dbraw/zinc/41/36/54/1135413654.db2.gz MBKZEQZIRUTBGN-UHFFFAOYSA-N 0 3 345.240 3.967 20 30 EHEDHN C#CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC)C1CC1 ZINC000807410247 1135543996 /nfs/dbraw/zinc/54/39/96/1135543996.db2.gz LVLALDXIDFGPRH-SFHVURJKSA-N 0 3 347.890 3.530 20 30 EHEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000775785989 1135738217 /nfs/dbraw/zinc/73/82/17/1135738217.db2.gz RBQJVGLVNGQTIF-KCQAQPDRSA-N 0 3 327.453 3.593 20 30 EHEDHN CC(C)(NCCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F ZINC001197818878 1135743247 /nfs/dbraw/zinc/74/32/47/1135743247.db2.gz PDYZBQCNHCZPID-UHFFFAOYSA-N 0 3 343.377 3.690 20 30 EHEDHN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1ccc(C#N)cc1Cl ZINC001198229861 1135789152 /nfs/dbraw/zinc/78/91/52/1135789152.db2.gz NBWOLBPLDUBQTI-GOSISDBHSA-N 0 3 349.261 3.948 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccc(C(C)(C)C)cc1 ZINC001198505659 1135824894 /nfs/dbraw/zinc/82/48/94/1135824894.db2.gz SGTJWAVUTYPWHT-KRWDZBQOSA-N 0 3 331.529 3.921 20 30 EHEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC001198525462 1135828084 /nfs/dbraw/zinc/82/80/84/1135828084.db2.gz MFFLNFAJEUALRN-CYBMUJFWSA-N 0 3 325.239 3.810 20 30 EHEDHN C#Cc1ccc(CN(C)[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000809585348 1135858655 /nfs/dbraw/zinc/85/86/55/1135858655.db2.gz IBHYOMNQPNLVGS-SFHVURJKSA-N 0 3 344.252 3.596 20 30 EHEDHN CC[C@@H](C)NC(=O)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC001199310416 1135895521 /nfs/dbraw/zinc/89/55/21/1135895521.db2.gz VSIQXTYNECJBHI-MRXNPFEDSA-N 0 3 335.451 3.685 20 30 EHEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(C(=O)N3CCCC3)cc1)CC2 ZINC000810212776 1135937959 /nfs/dbraw/zinc/93/79/59/1135937959.db2.gz XYTHZZSWIRXQRD-OAQYLSRUSA-N 0 3 345.446 3.571 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C2(CCF)CC2)cc1 ZINC000810532411 1135970785 /nfs/dbraw/zinc/97/07/85/1135970785.db2.gz SQFSMSIXZJZZNN-MRXNPFEDSA-N 0 3 330.403 3.816 20 30 EHEDHN O=C(Nc1ccccc1C(F)(F)F)N1CCC2SC(=O)C=C2C1 ZINC001202157251 1136102745 /nfs/dbraw/zinc/10/27/45/1136102745.db2.gz CEDUTOJPHLDJRT-LBPRGKRZSA-N 0 3 342.342 3.511 20 30 EHEDHN C=CCN1CC[C@H](N2CCCCC[C@@H]2Cc2ccccc2Cl)C1=O ZINC001170668179 1136186172 /nfs/dbraw/zinc/18/61/72/1136186172.db2.gz BITXQJFYONLFAE-MJGOQNOKSA-N 0 3 346.902 3.914 20 30 EHEDHN CCN(c1ccc(NC(=O)C(C#N)c2nc(C)cs2)cc1)C(C)C ZINC000812454446 1136210714 /nfs/dbraw/zinc/21/07/14/1136210714.db2.gz HJPQVWWESNNMPB-INIZCTEOSA-N 0 3 342.468 3.932 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc(C#N)c2ccccc21 ZINC001170679444 1136218358 /nfs/dbraw/zinc/21/83/58/1136218358.db2.gz RNJBBAXLEQITQI-AWEZNQCLSA-N 0 3 339.402 3.979 20 30 EHEDHN C#CCOc1cccc(Cl)c1CNCCC1SCCS1 ZINC000850407151 1136251489 /nfs/dbraw/zinc/25/14/89/1136251489.db2.gz OXVDEHIMTFYTJD-UHFFFAOYSA-N 0 3 327.902 3.638 20 30 EHEDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(C#N)cc3F)C2)cc1 ZINC000850487510 1136269247 /nfs/dbraw/zinc/26/92/47/1136269247.db2.gz HMABNNIUDFBMCN-GDBMZVCRSA-N 0 3 339.414 3.635 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000850739993 1136298263 /nfs/dbraw/zinc/29/82/63/1136298263.db2.gz ZVMRVCRJHBUSQH-GHMZBOCLSA-N 0 3 336.222 3.724 20 30 EHEDHN COc1ccc([C@@H]2C[C@H]2CC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000850759257 1136301468 /nfs/dbraw/zinc/30/14/68/1136301468.db2.gz HFNRWWHDNHZZSA-ZYSHUDEJSA-N 0 3 348.402 3.536 20 30 EHEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000850761557 1136301769 /nfs/dbraw/zinc/30/17/69/1136301769.db2.gz OLZSNPGLWPUREN-SFHVURJKSA-N 0 3 326.440 3.510 20 30 EHEDHN Cc1cccc(C)c1OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218526 1136304583 /nfs/dbraw/zinc/30/45/83/1136304583.db2.gz PYVYBOGQAKOJKJ-CQSZACIVSA-N 0 3 348.324 3.973 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000173196834 1136360794 /nfs/dbraw/zinc/36/07/94/1136360794.db2.gz MWUUHAIOGJIGKX-HNAYVOBHSA-N 0 3 345.462 3.569 20 30 EHEDHN COC(=O)NC1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000852767590 1136484210 /nfs/dbraw/zinc/48/42/10/1136484210.db2.gz HHCKNOQFFXUHIJ-UHFFFAOYSA-N 0 3 349.434 3.546 20 30 EHEDHN C[C@H](NCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(C#N)c(F)c1 ZINC000776734962 1136613407 /nfs/dbraw/zinc/61/34/07/1136613407.db2.gz DMUYTVONUIFDMW-ZDUSSCGKSA-N 0 3 347.434 3.747 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000113960738 1136762494 /nfs/dbraw/zinc/76/24/94/1136762494.db2.gz JWRVAXDIOIAULF-APWZRJJASA-N 0 3 349.434 3.948 20 30 EHEDHN SC1CCN([C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170884057 1136853965 /nfs/dbraw/zinc/85/39/65/1136853965.db2.gz HPSGXDYVMDBUOE-CQSZACIVSA-N 0 3 326.303 3.701 20 30 EHEDHN N#CCOc1ccc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858046409 1136935162 /nfs/dbraw/zinc/93/51/62/1136935162.db2.gz MTMVCFPETJZGRP-HXUWFJFHSA-N 0 3 349.434 3.515 20 30 EHEDHN C=CCOc1c(Cl)cc(CNCC2SCCS2)cc1OC ZINC000858195502 1136948787 /nfs/dbraw/zinc/94/87/87/1136948787.db2.gz YOEOXWGOXHSXKP-UHFFFAOYSA-N 0 3 345.917 3.809 20 30 EHEDHN COc1ccc(CNCc2ccccc2CC(F)(F)F)cc1C#N ZINC000858330405 1136958915 /nfs/dbraw/zinc/95/89/15/1136958915.db2.gz TUPYWFZQMDNLNO-UHFFFAOYSA-N 0 3 334.341 3.961 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC000859908050 1137036750 /nfs/dbraw/zinc/03/67/50/1137036750.db2.gz CEJNGHKNJOPZOE-SFHVURJKSA-N 0 3 346.352 3.669 20 30 EHEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)C(F)(F)F ZINC000860467224 1137061647 /nfs/dbraw/zinc/06/16/47/1137061647.db2.gz GXICRRZESFFRFZ-KCJUWKMLSA-N 0 3 332.709 3.576 20 30 EHEDHN COc1ccc(CN2CCC(CC#N)CC2)cc1OC(F)(F)F ZINC001143872883 1137207522 /nfs/dbraw/zinc/20/75/22/1137207522.db2.gz CBMMQJOVFPSDTO-UHFFFAOYSA-N 0 3 328.334 3.719 20 30 EHEDHN C=CC[C@@H](C)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccc(OC)cc1 ZINC001144017796 1137229271 /nfs/dbraw/zinc/22/92/71/1137229271.db2.gz NCPNAPBVAUXMCA-MJGOQNOKSA-N 0 3 344.499 3.720 20 30 EHEDHN N=C(Nc1ccc(F)c(-n2ccnc2)c1)c1ccc2cc(O)ccc2c1 ZINC001171185060 1137293181 /nfs/dbraw/zinc/29/31/81/1137293181.db2.gz DRABWZZCUJKMBK-UHFFFAOYSA-N 0 3 346.365 3.907 20 30 EHEDHN CC1(c2cccc(NC(=N)c3ccc4cc(O)ccc4c3)c2)OCCO1 ZINC001171182964 1137293571 /nfs/dbraw/zinc/29/35/71/1137293571.db2.gz XYWIINIZRZWHHA-UHFFFAOYSA-N 0 3 348.402 3.802 20 30 EHEDHN CC(C)N(CCCNCc1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000772928021 1137300068 /nfs/dbraw/zinc/30/00/68/1137300068.db2.gz LGDADSSCXIAUMV-UHFFFAOYSA-N 0 3 349.450 3.823 20 30 EHEDHN N#Cc1ccccc1N1CCC(NCc2cccc(F)c2F)CC1 ZINC000865696919 1137304865 /nfs/dbraw/zinc/30/48/65/1137304865.db2.gz NGAOWBGDUUUNHE-UHFFFAOYSA-N 0 3 327.378 3.595 20 30 EHEDHN N#CCCn1cc(CN[C@H]2CCCC[C@H]2F)c(-c2ccccc2)n1 ZINC000865698544 1137305010 /nfs/dbraw/zinc/30/50/10/1137305010.db2.gz CIBPNDAASNZUEU-MSOLQXFVSA-N 0 3 326.419 3.834 20 30 EHEDHN C#Cc1cccc(CN[C@@H](CC)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000846168245 1137337688 /nfs/dbraw/zinc/33/76/88/1137337688.db2.gz IYJNJXGLJNCNQM-SFHVURJKSA-N 0 3 339.435 3.935 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(Oc2ccc(F)cn2)CC1 ZINC001171232992 1137356162 /nfs/dbraw/zinc/35/61/62/1137356162.db2.gz YHMQMGLXURFASU-OAHLLOKOSA-N 0 3 339.414 3.567 20 30 EHEDHN CCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)[C@@H]1CCN(CC)C1 ZINC001146909738 1137396965 /nfs/dbraw/zinc/39/69/65/1137396965.db2.gz FANHYEZGCXOZKX-JOCHJYFZSA-N 0 3 346.474 3.643 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 ZINC000173579547 1137430569 /nfs/dbraw/zinc/43/05/69/1137430569.db2.gz XEEREPBHOAEMCM-UHFFFAOYSA-N 0 3 341.430 3.591 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CC2CCC2)c1 ZINC000348196682 1137453798 /nfs/dbraw/zinc/45/37/98/1137453798.db2.gz HUQCAAUWIBIMHS-KRWDZBQOSA-N 0 3 327.472 3.671 20 30 EHEDHN CCO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCCC1 ZINC000870380248 1137490681 /nfs/dbraw/zinc/49/06/81/1137490681.db2.gz XPVQHZODACBAQQ-CJNGLKHVSA-N 0 3 340.345 3.872 20 30 EHEDHN Cc1ccc(N2CCN([C@@H](C)Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC001172318950 1137546844 /nfs/dbraw/zinc/54/68/44/1137546844.db2.gz JVAISOGYMKUNQQ-IBGZPJMESA-N 0 3 333.479 3.928 20 30 EHEDHN Cc1cc(F)c(C#N)cc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000874904168 1137625897 /nfs/dbraw/zinc/62/58/97/1137625897.db2.gz ZNDADAKYJYYITE-VXGBXAGGSA-N 0 3 344.308 3.692 20 30 EHEDHN N#Cc1ccccc1O[C@@H]1CCCN(Cc2ccc3nccnc3c2)C1 ZINC001137089831 1137633829 /nfs/dbraw/zinc/63/38/29/1137633829.db2.gz APKMFXZSHFINIU-GOSISDBHSA-N 0 3 344.418 3.545 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000876558847 1137655362 /nfs/dbraw/zinc/65/53/62/1137655362.db2.gz TVBBSYJBCRRZOU-JVXZTZIISA-N 0 3 339.625 3.780 20 30 EHEDHN CN(C)c1ccc(C#N)cc1CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000876558360 1137655383 /nfs/dbraw/zinc/65/53/83/1137655383.db2.gz LDKWKTJAQSMJET-QFIPXVFZSA-N 0 3 349.478 3.570 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000876597318 1137656651 /nfs/dbraw/zinc/65/66/51/1137656651.db2.gz RNEFVSJGIOHPRP-XHDPSFHLSA-N 0 3 349.887 3.766 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000876629612 1137657604 /nfs/dbraw/zinc/65/76/04/1137657604.db2.gz UQFBBNKLVZBFLL-RNCFNFMXSA-N 0 3 335.662 3.511 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000876696261 1137659406 /nfs/dbraw/zinc/65/94/06/1137659406.db2.gz RRKUQYKYYZDQII-INIZCTEOSA-N 0 3 349.862 3.614 20 30 EHEDHN N#Cc1cnc(Cl)c(CN[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000876881210 1137664402 /nfs/dbraw/zinc/66/44/02/1137664402.db2.gz VULBYNPZHYEGMR-SFHVURJKSA-N 0 3 340.858 3.533 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000876980509 1137666918 /nfs/dbraw/zinc/66/69/18/1137666918.db2.gz HVKLCJIVLGISSX-SECBINFHSA-N 0 3 343.132 3.647 20 30 EHEDHN N#Cc1cccc(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000877312913 1137674072 /nfs/dbraw/zinc/67/40/72/1137674072.db2.gz ZZSFMQOVXZCQIN-CQSZACIVSA-N 0 3 331.341 3.962 20 30 EHEDHN CC(C)(C)OC(=O)NCc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000877621874 1137683328 /nfs/dbraw/zinc/68/33/28/1137683328.db2.gz BIJQUCNOCCNSOP-MRXNPFEDSA-N 0 3 343.471 3.837 20 30 EHEDHN CCOc1cc(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc(Cl)c1[O-] ZINC000877766427 1137688899 /nfs/dbraw/zinc/68/88/99/1137688899.db2.gz BHIQHDZYMBFVMS-MRXNPFEDSA-N 0 3 342.826 3.573 20 30 EHEDHN N#CCCn1cc(C(=O)CN2C[C@@H]3CC=CC[C@@H]3C2)c2ccccc21 ZINC000879528532 1137749920 /nfs/dbraw/zinc/74/99/20/1137749920.db2.gz FUDRHGYPCCNLLB-CALCHBBNSA-N 0 3 333.435 3.636 20 30 EHEDHN N#Cc1ccc(CN2CCC3(CCCCO3)CC2)c(OC(F)F)c1 ZINC000880457759 1137779178 /nfs/dbraw/zinc/77/91/78/1137779178.db2.gz YRGVVLDYORZBLG-UHFFFAOYSA-N 0 3 336.382 3.695 20 30 EHEDHN Cc1cccc2ncc(CN3CCC(C#Cc4ccccc4)CC3)n21 ZINC001137198634 1137876696 /nfs/dbraw/zinc/87/66/96/1137876696.db2.gz CUOOFHDCBBSRIN-UHFFFAOYSA-N 0 3 329.447 3.906 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2SC(C)C)CC1 ZINC000106035814 1137882481 /nfs/dbraw/zinc/88/24/81/1137882481.db2.gz DNNIQBZZURBHIG-UHFFFAOYSA-N 0 3 332.513 3.957 20 30 EHEDHN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000886229409 1138061359 /nfs/dbraw/zinc/06/13/59/1138061359.db2.gz PATIPQLQXSYXLK-TZMCWYRMSA-N 0 3 346.862 3.654 20 30 EHEDHN C=CCC[C@@H](N[C@@H]1CCCn2nc(C(=O)OC)cc21)c1ccccc1 ZINC000886553430 1138095223 /nfs/dbraw/zinc/09/52/23/1138095223.db2.gz NCHYUYDETAQXPD-IAGOWNOFSA-N 0 3 339.439 3.802 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000886774930 1138138541 /nfs/dbraw/zinc/13/85/41/1138138541.db2.gz YETAYAFQHRCKDY-UHFFFAOYSA-N 0 3 331.456 3.545 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc(Cl)ccc2SCC)CC1 ZINC000084295943 1138179515 /nfs/dbraw/zinc/17/95/15/1138179515.db2.gz ZRGPKUGOJXONQM-UHFFFAOYSA-N 0 3 338.904 3.832 20 30 EHEDHN C#CCC1(NCc2cc(F)c(C(F)(F)F)cc2F)CCOCC1 ZINC000887122205 1138218604 /nfs/dbraw/zinc/21/86/04/1138218604.db2.gz OHPHLIUQIHZVTJ-UHFFFAOYSA-N 0 3 333.300 3.646 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC)cc2C)CC1 ZINC000264442363 1138517461 /nfs/dbraw/zinc/51/74/61/1138517461.db2.gz ZSSHXHJZKQOTLR-UHFFFAOYSA-N 0 3 331.460 3.556 20 30 EHEDHN CCN(C(=O)c1cccc(C#N)c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000337797541 1138670420 /nfs/dbraw/zinc/67/04/20/1138670420.db2.gz GDCZZDJYDJHKOK-HXUWFJFHSA-N 0 3 347.462 3.603 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)c1cccc(C#N)c1C)c1ccsc1 ZINC000338162492 1138770590 /nfs/dbraw/zinc/77/05/90/1138770590.db2.gz QSRISKVLCSMJMC-SFHVURJKSA-N 0 3 341.480 3.741 20 30 EHEDHN CCN(CCc1nccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000338359623 1138854112 /nfs/dbraw/zinc/85/41/12/1138854112.db2.gz RFTWEGRZXBMAIS-UHFFFAOYSA-N 0 3 337.395 3.681 20 30 EHEDHN C[C@H]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000429570365 1139310196 /nfs/dbraw/zinc/31/01/96/1139310196.db2.gz ONOMCPGSEIGDEU-GOEBONIOSA-N 0 3 333.863 3.707 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)s1 ZINC000180637826 1139852633 /nfs/dbraw/zinc/85/26/33/1139852633.db2.gz LKGXDCOIRDDAKJ-QAPCUYQASA-N 0 3 330.428 3.847 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccccc2Nc2ccccc2)CC1 ZINC000180806072 1139864177 /nfs/dbraw/zinc/86/41/77/1139864177.db2.gz LDPRNZBNAFDJLR-UHFFFAOYSA-N 0 3 333.435 3.714 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181210559 1139892745 /nfs/dbraw/zinc/89/27/45/1139892745.db2.gz YPDXZMSJGKQOIZ-PXNSSMCTSA-N 0 3 336.435 3.824 20 30 EHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000181304256 1139898869 /nfs/dbraw/zinc/89/88/69/1139898869.db2.gz SWGYWRXCYNBBRV-ZDUSSCGKSA-N 0 3 339.370 3.505 20 30 EHEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2C)c(C#N)c1C ZINC000181560996 1139915479 /nfs/dbraw/zinc/91/54/79/1139915479.db2.gz CCALVHRDXGGKJD-KGLIPLIRSA-N 0 3 325.412 3.754 20 30 EHEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000181867988 1139937225 /nfs/dbraw/zinc/93/72/25/1139937225.db2.gz FBFJWTDARGQSBJ-HNNXBMFYSA-N 0 3 348.516 3.885 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C ZINC000190613402 1140412099 /nfs/dbraw/zinc/41/20/99/1140412099.db2.gz VZKZKODXRYCNNK-DYESRHJHSA-N 0 3 347.462 3.627 20 30 EHEDHN CCc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190633086 1140412918 /nfs/dbraw/zinc/41/29/18/1140412918.db2.gz WUPJCXFCJQODSI-HRAATJIYSA-N 0 3 347.462 3.572 20 30 EHEDHN Cn1cc(CNC(C)(C)c2ccc(OC(F)(F)F)cc2)cc1C#N ZINC000191624959 1140475215 /nfs/dbraw/zinc/47/52/15/1140475215.db2.gz RMKHXKLRYGKJGF-UHFFFAOYSA-N 0 3 337.345 3.820 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000267408927 1140788011 /nfs/dbraw/zinc/78/80/11/1140788011.db2.gz SNFIYMVWZHEGCP-UHFFFAOYSA-N 0 3 333.357 3.660 20 30 EHEDHN C=C[C@H](CC(=O)N(CC(C)C)C1CCN(C)CC1)c1ccccc1 ZINC000270457847 1141226521 /nfs/dbraw/zinc/22/65/21/1141226521.db2.gz WIKRERLJUNBANP-GOSISDBHSA-N 0 3 328.500 3.925 20 30 EHEDHN CN1CC[C@H](NCc2ccc(C#N)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000270630359 1141248061 /nfs/dbraw/zinc/24/80/61/1141248061.db2.gz HMUMQTWDDZNMFS-OALUTQOASA-N 0 3 345.368 3.511 20 30 EHEDHN CC(C)c1nnc([C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)[n-]1 ZINC000271454735 1141371824 /nfs/dbraw/zinc/37/18/24/1141371824.db2.gz GQBUNLJMTPTQDT-FVWXCPNNSA-N 0 3 337.471 3.983 20 30 EHEDHN C=CCC[C@H](N[C@H](C)c1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000271642320 1141411098 /nfs/dbraw/zinc/41/10/98/1141411098.db2.gz DXFVQMHSAPXVLB-BEFAXECRSA-N 0 3 344.480 3.692 20 30 EHEDHN CN(Cc1ccccn1)[C@@H]1CCCN(c2cccc(F)c2C#N)CC1 ZINC000275883878 564010248 /nfs/dbraw/zinc/01/02/48/564010248.db2.gz YVQSAOFYJYXNRR-QGZVFWFLSA-N 0 3 338.430 3.583 20 30 EHEDHN C=CCC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734065 607390138 /nfs/dbraw/zinc/39/01/38/607390138.db2.gz HMIZLLBMNOXZCP-GOSISDBHSA-N 0 3 349.438 3.672 20 30 EHEDHN C=CCC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734065 607390140 /nfs/dbraw/zinc/39/01/40/607390140.db2.gz HMIZLLBMNOXZCP-GOSISDBHSA-N 0 3 349.438 3.672 20 30 EHEDHN CC[N@H+](CC(C)(C)CCC#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825398932 608551959 /nfs/dbraw/zinc/55/19/59/608551959.db2.gz BMGMSWCQXOIBKJ-AWEZNQCLSA-N 0 3 326.448 3.580 20 30 EHEDHN CC[N@@H+](CC(C)(C)CCC#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825398932 608551960 /nfs/dbraw/zinc/55/19/60/608551960.db2.gz BMGMSWCQXOIBKJ-AWEZNQCLSA-N 0 3 326.448 3.580 20 30 EHEDHN CC[N@H+](CC(C)(C)CCC#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825398932 608551962 /nfs/dbraw/zinc/55/19/62/608551962.db2.gz BMGMSWCQXOIBKJ-AWEZNQCLSA-N 0 3 326.448 3.580 20 30 EHEDHN CC[N@@H+](CC(C)(C)CCC#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825398932 608551963 /nfs/dbraw/zinc/55/19/63/608551963.db2.gz BMGMSWCQXOIBKJ-AWEZNQCLSA-N 0 3 326.448 3.580 20 30 EHEDHN C=C(C)CN1CCC(NC(=S)N[C@@H](CC)c2cccs2)CC1 ZINC000734377770 1131230462 /nfs/dbraw/zinc/23/04/62/1131230462.db2.gz LWGYKJXGJBLOHC-HNNXBMFYSA-N 0 3 337.558 3.704 20 30 EHEDHN CC[C@](C)(C#N)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000579751278 1014369334 /nfs/dbraw/zinc/36/93/34/1014369334.db2.gz GWKHVSZAPUQWEW-UYAOXDASSA-N 0 3 329.488 3.544 20 30 EHEDHN N#Cc1cnc2ccccc2c1N1CCN(CCC2CCCC2)CC1 ZINC000610215562 1015026786 /nfs/dbraw/zinc/02/67/86/1015026786.db2.gz YKRZUAWYORCEOF-UHFFFAOYSA-N 0 3 334.467 3.809 20 30 EHEDHN CCCCCCCCCN(C)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC001167146384 1016315632 /nfs/dbraw/zinc/31/56/32/1016315632.db2.gz MLRQYAXQELYJNJ-KRWDZBQOSA-N 0 3 334.508 3.598 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000178552218 1016721949 /nfs/dbraw/zinc/72/19/49/1016721949.db2.gz FFTIBVPPBWMFQD-OAHLLOKOSA-N 0 3 336.439 3.509 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccccc1C#N)Cc1cccs1 ZINC000198386061 1016797886 /nfs/dbraw/zinc/79/78/86/1016797886.db2.gz OWEPUABJQOYSNR-UHFFFAOYSA-N 0 3 325.437 3.637 20 30 EHEDHN COc1ccc(C(=O)C2CCN(CCc3ccc(C#N)cc3)CC2)cc1 ZINC000659821316 1017063381 /nfs/dbraw/zinc/06/33/81/1017063381.db2.gz ZELMUOFYIZQPIZ-UHFFFAOYSA-N 0 3 348.446 3.704 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000528447857 1032291433 /nfs/dbraw/zinc/29/14/33/1032291433.db2.gz HTRWREPGERGKFD-UHFFFAOYSA-N 0 3 334.419 3.966 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000538319611 1032293067 /nfs/dbraw/zinc/29/30/67/1032293067.db2.gz ACVROFOBAALZCZ-DNVCBOLYSA-N 0 3 330.447 3.764 20 30 EHEDHN CCN1CCN(c2cccc(NC3CCC(C)(C#N)CC3)c2)CC1 ZINC000449253077 1032360691 /nfs/dbraw/zinc/36/06/91/1032360691.db2.gz XERHCVUCIDYGHL-UHFFFAOYSA-N 0 3 326.488 3.713 20 30 EHEDHN N#Cc1cccc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459644475 1032364462 /nfs/dbraw/zinc/36/44/62/1032364462.db2.gz PMNBYAULLMXUKY-INIZCTEOSA-N 0 3 338.373 3.739 20 30 EHEDHN C=CCNC(=O)CN[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000537123086 1032522006 /nfs/dbraw/zinc/52/20/06/1032522006.db2.gz CABIFLMPYHUXSQ-IFMALSPDSA-N 0 3 334.463 3.740 20 30 EHEDHN N#Cc1c(F)cccc1CNC[C@H](c1cccs1)N1CCCC1 ZINC000601999884 1032586869 /nfs/dbraw/zinc/58/68/69/1032586869.db2.gz WYODQHJEBNUEPI-QGZVFWFLSA-N 0 3 329.444 3.686 20 30 EHEDHN C=C(C)COc1cc(CN2CC[C@@H](OC)C(C)(C)C2)ccc1OC ZINC000449502639 1032682121 /nfs/dbraw/zinc/68/21/21/1032682121.db2.gz RRILWOGLJMXLNQ-LJQANCHMSA-N 0 3 333.472 3.897 20 30 EHEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376866527 1017168002 /nfs/dbraw/zinc/16/80/02/1017168002.db2.gz KOLJODJZNDPRJL-CVEARBPZSA-N 0 3 333.435 3.567 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=CSCc1ccco1 ZINC000255117593 1017696319 /nfs/dbraw/zinc/69/63/19/1017696319.db2.gz JCSXPFXZBZYEGW-GDAGCXPBSA-N 0 3 337.404 3.790 20 30 EHEDHN C=CCOc1ccccc1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000072670524 1017989229 /nfs/dbraw/zinc/98/92/29/1017989229.db2.gz OMNBUFBMMQNTHQ-SFHVURJKSA-N 0 3 326.440 3.771 20 30 EHEDHN C=CC[C@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC001167719118 1018059247 /nfs/dbraw/zinc/05/92/47/1018059247.db2.gz AKSIDWKOFXESLR-NQIIRXRSSA-N 0 3 340.511 3.754 20 30 EHEDHN N#CC(C(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1 ZINC000127839637 1032747641 /nfs/dbraw/zinc/74/76/41/1032747641.db2.gz RRDSWEUCEARXIQ-SFHVURJKSA-N 0 3 345.402 3.838 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1scc(C)c1C#N)c1ccco1 ZINC000574169157 1032748440 /nfs/dbraw/zinc/74/84/40/1032748440.db2.gz DCTOEUZMJUTRDA-JSGCOSHPSA-N 0 3 346.456 3.772 20 30 EHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)N1CCCCCC1 ZINC000510319104 1018639025 /nfs/dbraw/zinc/63/90/25/1018639025.db2.gz AHTYHQCIODASQZ-SFHVURJKSA-N 0 3 341.499 3.807 20 30 EHEDHN Cc1ccc2[nH]c([C@H]3CCCN(Cc4ccc(C#N)cn4)C3)nc2c1 ZINC000580269772 1018897714 /nfs/dbraw/zinc/89/77/14/1018897714.db2.gz BNWKZCMUQQCRMZ-INIZCTEOSA-N 0 3 331.423 3.518 20 30 EHEDHN Cc1ccc2nc([C@H]3CCCN(Cc4ccc(C#N)cn4)C3)[nH]c2c1 ZINC000580269772 1018897729 /nfs/dbraw/zinc/89/77/29/1018897729.db2.gz BNWKZCMUQQCRMZ-INIZCTEOSA-N 0 3 331.423 3.518 20 30 EHEDHN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C[C@H](C)CCC#N ZINC000602434045 1032887003 /nfs/dbraw/zinc/88/70/03/1032887003.db2.gz PFHAJTQWHPRIKZ-GFCCVEGCSA-N 0 3 341.377 3.694 20 30 EHEDHN CN(C)CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCCC1 ZINC000280475405 1020411792 /nfs/dbraw/zinc/41/17/92/1020411792.db2.gz IQNGUUQXSIQBHC-UHFFFAOYSA-N 0 3 341.499 3.824 20 30 EHEDHN Cc1ccc([C@@H](CNc2c(C#N)nnc3ccccc32)N2CCCC2)o1 ZINC000077215012 1020446443 /nfs/dbraw/zinc/44/64/43/1020446443.db2.gz SKSILUPWZJRWNU-GOSISDBHSA-N 0 3 347.422 3.652 20 30 EHEDHN N#Cc1csc(CN[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000610488704 1020568996 /nfs/dbraw/zinc/56/89/96/1020568996.db2.gz WSLJBFPSBLIUQQ-LJQANCHMSA-N 0 3 325.481 3.937 20 30 EHEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000516494393 1021488265 /nfs/dbraw/zinc/48/82/65/1021488265.db2.gz LRCPUXIRVKIJMU-LIRRHRJNSA-N 0 3 337.423 3.635 20 30 EHEDHN CC(C)Oc1ccc(CC[C@@H](C)NCc2nc(C#N)cs2)cc1 ZINC000519729666 1021638526 /nfs/dbraw/zinc/63/85/26/1021638526.db2.gz VXZWYNYAGNOWNR-CQSZACIVSA-N 0 3 329.469 3.913 20 30 EHEDHN CCOc1cc(CNCc2ccc(OCC#N)cc2)cc(Cl)c1O ZINC000298481000 1021863469 /nfs/dbraw/zinc/86/34/69/1021863469.db2.gz PKJHYNRHWKDKKV-UHFFFAOYSA-N 0 3 346.814 3.636 20 30 EHEDHN CN(Cc1cc(C#N)cs1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000897625816 1033012209 /nfs/dbraw/zinc/01/22/09/1033012209.db2.gz OXTBKTVHKHEKMM-GOSISDBHSA-N 0 3 349.500 3.699 20 30 EHEDHN CN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000516994816 1021929721 /nfs/dbraw/zinc/92/97/21/1021929721.db2.gz VJMFNAZSXRJRGL-OTVXOJSOSA-N 0 3 339.361 3.550 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](Sc2ccccc2)C(C)C)CC1 ZINC000519274591 1021970066 /nfs/dbraw/zinc/97/00/66/1021970066.db2.gz DAGJSMNMYXDDOQ-GOSISDBHSA-N 0 3 332.513 3.570 20 30 EHEDHN Cc1cc(-c2noc([C@H](C)NC3CCC(C#N)CC3)n2)ccc1F ZINC000602647580 1033035999 /nfs/dbraw/zinc/03/59/99/1033035999.db2.gz UVUKZKQAHZRKED-OPFPJEHXSA-N 0 3 328.391 3.917 20 30 EHEDHN CCC[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000341546940 1022239605 /nfs/dbraw/zinc/23/96/05/1022239605.db2.gz NHBKTRNLXAIMGI-ROUUACIJSA-N 0 3 327.472 3.834 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000517342023 1022257359 /nfs/dbraw/zinc/25/73/59/1022257359.db2.gz ZECRUPFEKNSZRN-IBGZPJMESA-N 0 3 341.499 3.616 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000328643036 1022454411 /nfs/dbraw/zinc/45/44/11/1022454411.db2.gz GCPPKUOADWSMNY-ALKREAHSSA-N 0 3 329.444 3.535 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1(c2ccccc2)CC1 ZINC000528911362 1033056705 /nfs/dbraw/zinc/05/67/05/1033056705.db2.gz YDUGIGFDXKWPGE-MRXNPFEDSA-N 0 3 329.403 3.871 20 30 EHEDHN CC(C)(C)C[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000341606293 1022528663 /nfs/dbraw/zinc/52/86/63/1022528663.db2.gz VTMIEGNQLUQLQX-HXUWFJFHSA-N 0 3 349.478 3.942 20 30 EHEDHN CC(C)(C)[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000330559510 1022609929 /nfs/dbraw/zinc/60/99/29/1022609929.db2.gz AVMMUQBCSSLXKP-SFHVURJKSA-N 0 3 345.462 3.845 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN1CCC(Nc2ccccn2)CC1 ZINC000536369112 1023070405 /nfs/dbraw/zinc/07/04/05/1023070405.db2.gz JOEZMUPVOXVZFJ-UHFFFAOYSA-N 0 3 334.467 3.959 20 30 EHEDHN N#CC(C(=O)CCc1ccccc1Br)c1ccccn1 ZINC000048540514 1023087314 /nfs/dbraw/zinc/08/73/14/1023087314.db2.gz AIIWUPNATYAUCW-CYBMUJFWSA-N 0 3 329.197 3.653 20 30 EHEDHN N#CC(C(=O)CCc1ccccc1Br)c1ccccn1 ZINC000048540513 1023087784 /nfs/dbraw/zinc/08/77/84/1023087784.db2.gz AIIWUPNATYAUCW-ZDUSSCGKSA-N 0 3 329.197 3.653 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000441484567 1023169357 /nfs/dbraw/zinc/16/93/57/1023169357.db2.gz JTFSJKPQZWETCB-ICSRJNTNSA-N 0 3 339.483 3.815 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCc1cccc2ccccc21 ZINC000507277291 1023228172 /nfs/dbraw/zinc/22/81/72/1023228172.db2.gz JAGFEDOGOOMHLU-GOSISDBHSA-N 0 3 336.479 3.903 20 30 EHEDHN C=CCC[C@H](NCC(=O)NCc1ccccc1F)c1ccccc1 ZINC000341934189 1023705848 /nfs/dbraw/zinc/70/58/48/1023705848.db2.gz WFMNLQQNKBFETB-IBGZPJMESA-N 0 3 326.415 3.739 20 30 EHEDHN C=CCC[C@@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000341947461 1023706077 /nfs/dbraw/zinc/70/60/77/1023706077.db2.gz RVVQVGYGVXYPOY-QGZVFWFLSA-N 0 3 338.407 3.651 20 30 EHEDHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccnc(C#N)c1 ZINC000610992795 1023985426 /nfs/dbraw/zinc/98/54/26/1023985426.db2.gz JUZDQHCAYPXPPS-UHFFFAOYSA-N 0 3 349.413 3.547 20 30 EHEDHN COc1ccc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1F ZINC000237193627 1024154899 /nfs/dbraw/zinc/15/48/99/1024154899.db2.gz IANSWWUDMFEANE-UONOGXRCSA-N 0 3 328.387 3.976 20 30 EHEDHN [O-]C(N[C@H]1CCn2ccnc2C1)=[NH+]C1CCC2(CCCCC2)CC1 ZINC000329884604 1024233950 /nfs/dbraw/zinc/23/39/50/1024233950.db2.gz SQKAMIWDWLGNQQ-INIZCTEOSA-N 0 3 330.476 3.595 20 30 EHEDHN [O-]C(NC1CCC2(CCCCC2)CC1)=[NH+][C@H]1CCn2ccnc2C1 ZINC000329884604 1024233961 /nfs/dbraw/zinc/23/39/61/1024233961.db2.gz SQKAMIWDWLGNQQ-INIZCTEOSA-N 0 3 330.476 3.595 20 30 EHEDHN C=CCOc1ccc(CN(C)CCOc2ccccc2)cc1OC ZINC000434986301 1024540652 /nfs/dbraw/zinc/54/06/52/1024540652.db2.gz GLEUOTWXWBGYNQ-UHFFFAOYSA-N 0 3 327.424 3.771 20 30 EHEDHN N#Cc1cccc(SC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000430137313 1024667198 /nfs/dbraw/zinc/66/71/98/1024667198.db2.gz VTHGAAINRNKLAS-IBGZPJMESA-N 0 3 338.476 3.941 20 30 EHEDHN CCc1cc(CCCN2CCC(Nc3ccccc3C#N)CC2)on1 ZINC000602900199 1033250992 /nfs/dbraw/zinc/25/09/92/1033250992.db2.gz MRLWNFHCSARKMU-UHFFFAOYSA-N 0 3 338.455 3.618 20 30 EHEDHN C=CCOc1ccc(CN2CC3(CC(OC)(OC)C3)[C@H]2C(C)C)cc1 ZINC000895996952 1025050683 /nfs/dbraw/zinc/05/06/83/1025050683.db2.gz VXPHUKQOTGIWMA-LJQANCHMSA-N 0 3 345.483 3.861 20 30 EHEDHN CCCN(CCc1cccs1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000515655755 1025438917 /nfs/dbraw/zinc/43/89/17/1025438917.db2.gz OTBXJYTUQCBQEC-UHFFFAOYSA-N 0 3 329.425 3.983 20 30 EHEDHN C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000281739953 1025440160 /nfs/dbraw/zinc/44/01/60/1025440160.db2.gz YMCJIYXEGRMNCD-OXQOHEQNSA-N 0 3 349.478 3.909 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)CC1 ZINC000179316273 1025681114 /nfs/dbraw/zinc/68/11/14/1025681114.db2.gz DLKNBXXQMZRARN-QGZVFWFLSA-N 0 3 343.515 3.691 20 30 EHEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3cc4ccncc4s3)C2)nc1 ZINC000896650467 1025803840 /nfs/dbraw/zinc/80/38/40/1025803840.db2.gz IFRMROKDKXEHAW-MRXNPFEDSA-N 0 3 349.463 3.639 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC(C)(C)CC1 ZINC000303933355 1025827256 /nfs/dbraw/zinc/82/72/56/1025827256.db2.gz RDCPHKKVCROWKY-KRWDZBQOSA-N 0 3 327.472 3.834 20 30 EHEDHN CC(C)N(CCCCCO)Cc1cc(Br)ccc1C#N ZINC001141907541 1025901913 /nfs/dbraw/zinc/90/19/13/1025901913.db2.gz FZZOCLCVMZNPJI-UHFFFAOYSA-N 0 3 339.277 3.694 20 30 EHEDHN COc1ccccc1OCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000611588172 1025940020 /nfs/dbraw/zinc/94/00/20/1025940020.db2.gz ZKWCQLOBVBRRMZ-CQSZACIVSA-N 0 3 328.387 3.826 20 30 EHEDHN N#CCSCCCN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451575369 1026127520 /nfs/dbraw/zinc/12/75/20/1026127520.db2.gz XOEKARDFPQWBDV-CQSZACIVSA-N 0 3 339.302 3.885 20 30 EHEDHN COc1ccc(C(=O)Nc2cccc(CNCC3(CC#N)CC3)c2)cc1 ZINC000430042513 1027566158 /nfs/dbraw/zinc/56/61/58/1027566158.db2.gz QGMMSMDJQGNWNS-UHFFFAOYSA-N 0 3 349.434 3.731 20 30 EHEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc2ccccc21 ZINC000046528673 1027659223 /nfs/dbraw/zinc/65/92/23/1027659223.db2.gz WJANLRDIUUNCEV-HXUWFJFHSA-N 0 3 346.430 3.583 20 30 EHEDHN N#Cc1cc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1F ZINC000282008180 1027724643 /nfs/dbraw/zinc/72/46/43/1027724643.db2.gz JHKUGHNEILAGKK-INIZCTEOSA-N 0 3 338.430 3.610 20 30 EHEDHN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)c(F)c1 ZINC000342873349 1027787159 /nfs/dbraw/zinc/78/71/59/1027787159.db2.gz ICBOKRCCBWGSAU-UHFFFAOYSA-N 0 3 345.805 3.811 20 30 EHEDHN COc1cc(C#N)ccc1OCCN[C@H](CC(F)F)c1ccccc1 ZINC000420992073 1027971397 /nfs/dbraw/zinc/97/13/97/1027971397.db2.gz JWLYPULCPHOGJU-MRXNPFEDSA-N 0 3 346.377 3.932 20 30 EHEDHN Cc1cc(CN2CCC(N3CCc4ccccc43)CC2)ccc1C#N ZINC000502327071 1028106256 /nfs/dbraw/zinc/10/62/56/1028106256.db2.gz QDVOWXNCPPOOBW-UHFFFAOYSA-N 0 3 331.463 3.894 20 30 EHEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)c(C)s1 ZINC000178706889 1028259558 /nfs/dbraw/zinc/25/95/58/1028259558.db2.gz BOJMKNAXCNMMFX-OAHLLOKOSA-N 0 3 349.415 3.874 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000504060003 1028372152 /nfs/dbraw/zinc/37/21/52/1028372152.db2.gz RGUNUQKRWQHZDZ-IEBWSBKVSA-N 0 3 347.503 3.730 20 30 EHEDHN C#CCC1(NCc2ccc(NC(=O)OC(C)(C)C)nn2)CCCCC1 ZINC000897336307 1028549527 /nfs/dbraw/zinc/54/95/27/1028549527.db2.gz DDTQTGGSPCYHDU-UHFFFAOYSA-N 0 3 344.459 3.639 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000424068049 1028774900 /nfs/dbraw/zinc/77/49/00/1028774900.db2.gz YDLZOGRBAABEBZ-LEWJYISDSA-N 0 3 349.478 3.888 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000424128173 1028824843 /nfs/dbraw/zinc/82/48/43/1028824843.db2.gz QWDBWUBTCCFKQP-IRXDYDNUSA-N 0 3 333.863 3.805 20 30 EHEDHN N#Cc1ccc(CN2CCC(N[C@@H]3C[C@@]3(F)c3ccccc3)CC2)cc1 ZINC000424181901 1028854500 /nfs/dbraw/zinc/85/45/00/1028854500.db2.gz DZEYSOJBFRHZIS-FGZHOGPDSA-N 0 3 349.453 3.750 20 30 EHEDHN CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@H](N)CCCC#N)cc1 ZINC000424171654 1028871482 /nfs/dbraw/zinc/87/14/82/1028871482.db2.gz MJXXLBJOPXSYAH-RTBURBONSA-N 0 3 327.472 3.885 20 30 EHEDHN N#CCc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000076083684 1028877266 /nfs/dbraw/zinc/87/72/66/1028877266.db2.gz BODPDQFBKHKDDY-HXUWFJFHSA-N 0 3 348.450 3.539 20 30 EHEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000424196532 1028880058 /nfs/dbraw/zinc/88/00/58/1028880058.db2.gz MZQLDJLPCPVMLK-IAOVAPTHSA-N 0 3 334.847 3.680 20 30 EHEDHN N#Cc1ccc(CNC(=O)c2cccc(CN3CCCCC3)c2)s1 ZINC000421918300 1028936510 /nfs/dbraw/zinc/93/65/10/1028936510.db2.gz MUXXLVIUUOODHA-UHFFFAOYSA-N 0 3 339.464 3.536 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN(C)[C@H](C)C2CC2)ccc1Cl ZINC000161624399 1029244497 /nfs/dbraw/zinc/24/44/97/1029244497.db2.gz KSESKEFGLDPRRS-CQSZACIVSA-N 0 3 333.863 3.625 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000524668864 1029429430 /nfs/dbraw/zinc/42/94/30/1029429430.db2.gz AXWPQDFFTFBGAD-QXAKKESOSA-N 0 3 335.536 3.787 20 30 EHEDHN CC[C@H](Cc1ccccc1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000525125407 1029697808 /nfs/dbraw/zinc/69/78/08/1029697808.db2.gz FROWNVRPQHUUAZ-LJQANCHMSA-N 0 3 341.499 3.624 20 30 EHEDHN C=CCC[C@@H](C)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000273393035 1029820171 /nfs/dbraw/zinc/82/01/71/1029820171.db2.gz LCUOMWAMFMUPGZ-SECBINFHSA-N 0 3 332.757 3.846 20 30 EHEDHN C=CCN1CCC(NC(=O)CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000481787958 1029960674 /nfs/dbraw/zinc/96/06/74/1029960674.db2.gz MWUFWUVRNHXFKO-UHFFFAOYSA-N 0 3 341.282 3.693 20 30 EHEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(=O)OC)cc1 ZINC000453394105 1030245840 /nfs/dbraw/zinc/24/58/40/1030245840.db2.gz VUFQMBFTXRLDGR-SFHVURJKSA-N 0 3 326.371 3.725 20 30 EHEDHN Cc1ccc(C[C@@H](CO)N[C@@H](C)c2ccc(C#N)cc2F)cc1C ZINC000453447541 1030267702 /nfs/dbraw/zinc/26/77/02/1030267702.db2.gz PKYHWAJCSNACTL-YJBOKZPZSA-N 0 3 326.415 3.568 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000092217480 1030408712 /nfs/dbraw/zinc/40/87/12/1030408712.db2.gz BGBSKYWGRSCEFM-UHFFFAOYSA-N 0 3 348.450 3.773 20 30 EHEDHN C=CC[C@H]1N([C@H]2CCCN(CC(F)(F)F)C2=O)CCCC1(C)C ZINC000447879525 1030561233 /nfs/dbraw/zinc/56/12/33/1030561233.db2.gz QZJFNXYZPCGSNG-UONOGXRCSA-N 0 3 332.410 3.606 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447954019 1030621470 /nfs/dbraw/zinc/62/14/70/1030621470.db2.gz MQLQMMRXHWJIHO-WOJBJXKFSA-N 0 3 341.499 3.821 20 30 EHEDHN C=CCCCN(C)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000583817230 1030829675 /nfs/dbraw/zinc/82/96/75/1030829675.db2.gz CYXMPRXVJUJHIN-CYBMUJFWSA-N 0 3 326.843 3.724 20 30 EHEDHN CO[C@@]1(C)CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000482986047 1030872678 /nfs/dbraw/zinc/87/26/78/1030872678.db2.gz QJCCFXWWCXGAJS-KRWDZBQOSA-N 0 3 325.374 3.948 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)c1ccc(C#N)cc1C)c1ccsc1 ZINC000161497077 1031570755 /nfs/dbraw/zinc/57/07/55/1031570755.db2.gz RJENLDIQXWUMBC-GOSISDBHSA-N 0 3 341.480 3.741 20 30 EHEDHN C=CCN(CC(=O)N1CCc2ccccc2C1)CC1CCCCC1 ZINC000484493634 1031616475 /nfs/dbraw/zinc/61/64/75/1031616475.db2.gz ZEGUSSQYDMBLKN-UHFFFAOYSA-N 0 3 326.484 3.640 20 30 EHEDHN C=CCN1CCC(NC(=O)C(C)(C)Cc2cccc(Cl)c2)CC1 ZINC000084760318 1031685635 /nfs/dbraw/zinc/68/56/35/1031685635.db2.gz BUJWYBKZNVTQLC-UHFFFAOYSA-N 0 3 334.891 3.675 20 30 EHEDHN C=CCC[C@@H](NCCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000178757697 1031702858 /nfs/dbraw/zinc/70/28/58/1031702858.db2.gz ZOONPSOQFDGMRU-LJQANCHMSA-N 0 3 329.465 3.757 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000181352530 1031976662 /nfs/dbraw/zinc/97/66/62/1031976662.db2.gz OPHGHUSJJVWIIQ-VQIMIIECSA-N 0 3 327.472 3.516 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000598599564 1033324597 /nfs/dbraw/zinc/32/45/97/1033324597.db2.gz KDHMVHSXGYZTFM-GOSISDBHSA-N 0 3 344.405 3.945 20 30 EHEDHN C[C@@H](CN(C)CC(=O)Nc1ccccc1SCC#N)C(C)(C)C ZINC000603053283 1033327029 /nfs/dbraw/zinc/32/70/29/1033327029.db2.gz AAYGAVTUTMXCRL-AWEZNQCLSA-N 0 3 333.501 3.855 20 30 EHEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(c1ccccc1)c1ccccc1 ZINC000594428780 1033367045 /nfs/dbraw/zinc/36/70/45/1033367045.db2.gz OPUYSPLVSBSZJD-XLIONFOSSA-N 0 3 349.478 3.734 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000594432088 1033368050 /nfs/dbraw/zinc/36/80/50/1033368050.db2.gz XJGZPRHVWFZTOP-VQTJNVASSA-N 0 3 335.451 3.915 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000594437620 1033376233 /nfs/dbraw/zinc/37/62/33/1033376233.db2.gz MLKYHBPOZJVGFG-LJQANCHMSA-N 0 3 343.471 3.995 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000594427657 1033388367 /nfs/dbraw/zinc/38/83/67/1033388367.db2.gz VQNBKEXYQBPOPZ-CYBMUJFWSA-N 0 3 348.859 3.813 20 30 EHEDHN Cc1cc(-c2csc(NC(=O)[C@@H](N)CCCCC#N)n2)ccc1F ZINC000594426513 1033390074 /nfs/dbraw/zinc/39/00/74/1033390074.db2.gz DMMMIQOTPPNEDV-AWEZNQCLSA-N 0 3 346.431 3.607 20 30 EHEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000594501069 1033402751 /nfs/dbraw/zinc/40/27/51/1033402751.db2.gz HNHJOQFOVPKESB-ZDUSSCGKSA-N 0 3 334.423 3.920 20 30 EHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1 ZINC000129828017 1033459671 /nfs/dbraw/zinc/45/96/71/1033459671.db2.gz SRIIXBMFOGERIH-GDBMZVCRSA-N 0 3 336.391 3.536 20 30 EHEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc(NC(N)=O)cc1 ZINC000594923888 1033546479 /nfs/dbraw/zinc/54/64/79/1033546479.db2.gz JXEKAMRQNSTWEJ-CQSZACIVSA-N 0 3 334.423 3.583 20 30 EHEDHN COCCOc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594925614 1033549958 /nfs/dbraw/zinc/54/99/58/1033549958.db2.gz PEUXGFXLDINMOH-UHFFFAOYSA-N 0 3 336.435 3.557 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCC)Cc2ccccc2)CC1 ZINC000106270627 1033566771 /nfs/dbraw/zinc/56/67/71/1033566771.db2.gz IDWRKYLORLOPFW-HXUWFJFHSA-N 0 3 343.515 3.738 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccco2)C2CCCC2)CC1 ZINC000106340768 1033571677 /nfs/dbraw/zinc/57/16/77/1033571677.db2.gz IBOZUGIZKJOXAH-UHFFFAOYSA-N 0 3 345.487 3.774 20 30 EHEDHN Cc1c(Br)cncc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000594937912 1033586366 /nfs/dbraw/zinc/58/63/66/1033586366.db2.gz JQRJAVIYSANECQ-KRWDZBQOSA-N 0 3 342.240 3.801 20 30 EHEDHN CCOC(=O)c1[nH]c(C)c(CNC(C)(C)c2cccc(C#N)c2)c1C ZINC000598982667 1033630827 /nfs/dbraw/zinc/63/08/27/1033630827.db2.gz XFEXQZMCCGQQNG-UHFFFAOYSA-N 0 3 339.439 3.705 20 30 EHEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472349691 1033748942 /nfs/dbraw/zinc/74/89/42/1033748942.db2.gz SHNPBGUFYUVDDE-YQVWRLOYSA-N 0 3 347.462 3.838 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)Cc2c(C)nn(C)c2C)c([O-])c1 ZINC000158159047 1033749776 /nfs/dbraw/zinc/74/97/76/1033749776.db2.gz XSSMEYYVQZDLHQ-CNRHGSOZSA-N 0 3 342.487 3.639 20 30 EHEDHN Cn1c2ccccc2nc1[C@H]1CCCN1CCc1ccc(C#N)cc1 ZINC000595384996 1033785059 /nfs/dbraw/zinc/78/50/59/1033785059.db2.gz RAQPMMQPHAFJLX-HXUWFJFHSA-N 0 3 330.435 3.825 20 30 EHEDHN C#CCCCN[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000174274176 1033889673 /nfs/dbraw/zinc/88/96/73/1033889673.db2.gz YNDHSXZCGBCACS-FQEVSTJZSA-N 0 3 336.435 3.768 20 30 EHEDHN N#Cc1cccc(NC[C@@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000450217275 1033918529 /nfs/dbraw/zinc/91/85/29/1033918529.db2.gz SPPRHIZWDQHRDO-HNNXBMFYSA-N 0 3 342.424 3.777 20 30 EHEDHN Cn1cc(CN2CCC(c3ccco3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000595613593 1033927191 /nfs/dbraw/zinc/92/71/91/1033927191.db2.gz BFBMNZBHVZCJRM-UHFFFAOYSA-N 0 3 346.434 3.931 20 30 EHEDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599514333 1033977291 /nfs/dbraw/zinc/97/72/91/1033977291.db2.gz HJHNGRZMRJPUIB-KBPBESRZSA-N 0 3 344.409 3.682 20 30 EHEDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccco1 ZINC000064114370 1033996817 /nfs/dbraw/zinc/99/68/17/1033996817.db2.gz BHCVPCHJTMIWJD-MRXNPFEDSA-N 0 3 328.372 3.554 20 30 EHEDHN NCc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)ccn1 ZINC001168408560 1034068580 /nfs/dbraw/zinc/06/85/80/1034068580.db2.gz XWUPPJFAQVSLSZ-UHFFFAOYSA-N 0 3 327.387 3.717 20 30 EHEDHN CCN(CC)[C@@H](CNc1nc2ncccc2cc1C#N)c1ccco1 ZINC000596093076 1034078280 /nfs/dbraw/zinc/07/82/80/1034078280.db2.gz QDKDYSFOGDRZRN-INIZCTEOSA-N 0 3 335.411 3.589 20 30 EHEDHN C[C@@H]1CCN(c2nc(C#N)c(Cl)s2)CCN1Cc1ccccc1 ZINC000596144552 1034090241 /nfs/dbraw/zinc/09/02/41/1034090241.db2.gz INGYJEJGJDEKKS-CYBMUJFWSA-N 0 3 346.887 3.769 20 30 EHEDHN CCc1nc(C#N)cc(S[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000596275906 1034140586 /nfs/dbraw/zinc/14/05/86/1034140586.db2.gz ZXCCVYAFMYGSNP-QGZVFWFLSA-N 0 3 338.480 3.667 20 30 EHEDHN N#CC1CCN(CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000057879179 1034251692 /nfs/dbraw/zinc/25/16/92/1034251692.db2.gz YYFOCOCYIYHBIS-UHFFFAOYSA-N 0 3 333.435 3.918 20 30 EHEDHN N#CC1(c2ccc(CN3CC(c4nc5ccccc5[nH]4)C3)cc2)CC1 ZINC000597011548 1034491772 /nfs/dbraw/zinc/49/17/72/1034491772.db2.gz CJRVSCUQGOZDBK-UHFFFAOYSA-N 0 3 328.419 3.717 20 30 EHEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000060467930 1034573983 /nfs/dbraw/zinc/57/39/83/1034573983.db2.gz YKIGKMPPZVVAGM-KRWDZBQOSA-N 0 3 334.341 3.742 20 30 EHEDHN Cn1cc(CN2CCC[C@H](CC#N)C2)c(-c2cc3ccccc3o2)n1 ZINC000597173327 1034582029 /nfs/dbraw/zinc/58/20/29/1034582029.db2.gz ISAVBWSKKWHYQL-OAHLLOKOSA-N 0 3 334.423 3.959 20 30 EHEDHN N#CCOc1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1 ZINC000171768958 1034623152 /nfs/dbraw/zinc/62/31/52/1034623152.db2.gz DPQDZLPHHIMUMH-UHFFFAOYSA-N 0 3 336.313 3.777 20 30 EHEDHN N#CC(C(=O)CC[C@H]1CCCCO1)c1nc2ccccc2n1C(F)F ZINC000171797160 1034634596 /nfs/dbraw/zinc/63/45/96/1034634596.db2.gz VSWMTYDOOZFHNH-OLZOCXBDSA-N 0 3 347.365 3.957 20 30 EHEDHN C[C@H](CC#N)C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000597491149 1034784260 /nfs/dbraw/zinc/78/42/60/1034784260.db2.gz AUURUDKDQZVNFW-CXAGYDPISA-N 0 3 349.425 3.546 20 30 EHEDHN C=CCCCN(C)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000605677316 1034834662 /nfs/dbraw/zinc/83/46/62/1034834662.db2.gz PDICQFKDBRMMQL-GOSISDBHSA-N 0 3 328.500 3.754 20 30 EHEDHN CC1(C)CC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)OC1 ZINC000892493116 1034885677 /nfs/dbraw/zinc/88/56/77/1034885677.db2.gz BUATUJQRXRHAFC-LSDHHAIUSA-N 0 3 348.830 3.583 20 30 EHEDHN N#CC(C(=O)CC[C@@H]1CCc2ccccc21)C(=O)Nc1ccccc1 ZINC000892494178 1034901235 /nfs/dbraw/zinc/90/12/35/1034901235.db2.gz BEWIYWDLWCGIDG-QFBILLFUSA-N 0 3 332.403 3.844 20 30 EHEDHN CSc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180122871 1035485646 /nfs/dbraw/zinc/48/56/46/1035485646.db2.gz QYUGRFHBWHGUBC-UHFFFAOYSA-N 0 3 348.475 3.970 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)CC1 ZINC000178068337 1035638222 /nfs/dbraw/zinc/63/82/22/1035638222.db2.gz KITCKPIZAGJPBN-IBGZPJMESA-N 0 3 326.484 3.544 20 30 EHEDHN N#CCSCCCN1CCN(Cc2cccc3ccccc32)CC1 ZINC000173864318 1035680994 /nfs/dbraw/zinc/68/09/94/1035680994.db2.gz GQRINJKQDQYBFM-UHFFFAOYSA-N 0 3 339.508 3.604 20 30 EHEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414171406 1035873889 /nfs/dbraw/zinc/87/38/89/1035873889.db2.gz UXQDDUATPKWCTL-HNNXBMFYSA-N 0 3 348.512 3.993 20 30 EHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000090106731 1036042434 /nfs/dbraw/zinc/04/24/34/1036042434.db2.gz QFMHAGIMJNCDTG-CYBMUJFWSA-N 0 3 332.350 3.889 20 30 EHEDHN CCC[C@H](CN1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000539406673 1036723845 /nfs/dbraw/zinc/72/38/45/1036723845.db2.gz BAQYJQOYRKTCNB-HXUWFJFHSA-N 0 3 334.467 3.659 20 30 EHEDHN Cc1cc([C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2CC2)ccc1F ZINC000539424558 1036748272 /nfs/dbraw/zinc/74/82/72/1036748272.db2.gz OMZVGRPFJPFPFE-BOUXLOLZSA-N 0 3 345.462 3.618 20 30 EHEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464784156 1036781617 /nfs/dbraw/zinc/78/16/17/1036781617.db2.gz BTVAXSLCGBJLEB-IBGZPJMESA-N 0 3 332.463 3.525 20 30 EHEDHN CSc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000541909183 1036797967 /nfs/dbraw/zinc/79/79/67/1036797967.db2.gz OBLVKLIBXUWCOX-UHFFFAOYSA-N 0 3 338.480 3.752 20 30 EHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cccc(F)c3F)C2)c(F)c1 ZINC000237759729 1036913710 /nfs/dbraw/zinc/91/37/10/1036913710.db2.gz PTGISBBWMZYOGY-OAHLLOKOSA-N 0 3 345.368 3.734 20 30 EHEDHN N#CC(C(=O)c1cnc2n1CCC2)c1nc2cc(Cl)ccc2s1 ZINC000659050752 1036985128 /nfs/dbraw/zinc/98/51/28/1036985128.db2.gz KUDKZDNTIHSQID-JTQLQIEISA-N 0 3 342.811 3.582 20 30 EHEDHN CC(C)[C@@H](NC1CCC(C)(C#N)CC1)c1nc(-c2ccncc2)no1 ZINC000590647942 1036988014 /nfs/dbraw/zinc/98/80/14/1036988014.db2.gz GQJJIDOYKNKHRU-KOHRHEQBSA-N 0 3 339.443 3.891 20 30 EHEDHN CC[C@H]1c2ccsc2CCN1CCC(=O)Nc1ccccc1C#N ZINC000054428223 1037029031 /nfs/dbraw/zinc/02/90/31/1037029031.db2.gz BYAJSHPCCVMYQA-KRWDZBQOSA-N 0 3 339.464 3.958 20 30 EHEDHN COc1ccc(CN(Cc2ccc(C#N)s2)[C@H](CO)C(C)C)cc1 ZINC000181153829 1037443495 /nfs/dbraw/zinc/44/34/95/1037443495.db2.gz WBPKGSNDVZXERG-LJQANCHMSA-N 0 3 344.480 3.647 20 30 EHEDHN CCCC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000151652931 1037517817 /nfs/dbraw/zinc/51/78/17/1037517817.db2.gz GVWDJIIBTRTTKV-ZDUSSCGKSA-N 0 3 337.489 3.793 20 30 EHEDHN N#Cc1cccc(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)c1F ZINC000592168589 1037913997 /nfs/dbraw/zinc/91/39/97/1037913997.db2.gz SJYDHTKVCVMXFQ-UXHICEINSA-N 0 3 338.426 3.655 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cc2OCCC)CC1 ZINC000592336228 1037925285 /nfs/dbraw/zinc/92/52/85/1037925285.db2.gz ZWFSXTPVOUUCHE-UHFFFAOYSA-N 0 3 345.487 3.946 20 30 EHEDHN Cc1cccc(OCCCC(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000128085030 1038703736 /nfs/dbraw/zinc/70/37/36/1038703736.db2.gz SDZXJCGGZFPXCG-GOSISDBHSA-N 0 3 336.391 3.502 20 30 EHEDHN C=C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000462187222 1038826366 /nfs/dbraw/zinc/82/63/66/1038826366.db2.gz IMNLPAVYHHOOQS-CZTZKLFOSA-N 0 3 348.490 3.983 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000539391610 1038889766 /nfs/dbraw/zinc/88/97/66/1038889766.db2.gz LNCOSISVNBXXJC-JENIJYKNSA-N 0 3 329.488 3.866 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000416681457 1038891615 /nfs/dbraw/zinc/89/16/15/1038891615.db2.gz GNSHAEXZZGQBRF-INIZCTEOSA-N 0 3 341.499 3.965 20 30 EHEDHN C=CCCC1(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000554638892 1039549051 /nfs/dbraw/zinc/54/90/51/1039549051.db2.gz DYKJEYAGUCSPMX-LJQANCHMSA-N 0 3 344.499 3.939 20 30 EHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000345047496 1039594660 /nfs/dbraw/zinc/59/46/60/1039594660.db2.gz XNCQRZVGHWNDLM-LSDHHAIUSA-N 0 3 346.500 3.639 20 30 EHEDHN N#Cc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1Cl ZINC000028842559 1039756598 /nfs/dbraw/zinc/75/65/98/1039756598.db2.gz ADPNQOKRQKSYTL-UHFFFAOYSA-N 0 3 339.826 3.599 20 30 EHEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Br)cc1CC ZINC000912463569 1039906959 /nfs/dbraw/zinc/90/69/59/1039906959.db2.gz QGLVIHUIDDJZII-CYBMUJFWSA-N 0 3 325.250 3.634 20 30 EHEDHN C=CCOc1ccccc1CN1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000512561756 1040130994 /nfs/dbraw/zinc/13/09/94/1040130994.db2.gz MBPMKAOMEZIYPB-PKOBYXMFSA-N 0 3 344.499 3.768 20 30 EHEDHN CCCN(CCC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000027270020 1040131969 /nfs/dbraw/zinc/13/19/69/1040131969.db2.gz NAACHSGWADHDTO-UHFFFAOYSA-N 0 3 333.501 3.949 20 30 EHEDHN COc1cccc(N2CC[C@@H](N[C@@H](C)c3ccc(C#N)cc3F)C2)c1 ZINC000512612252 1040271126 /nfs/dbraw/zinc/27/11/26/1040271126.db2.gz OCCQWYLZVOFZJQ-GOEBONIOSA-N 0 3 339.414 3.635 20 30 EHEDHN COc1ccc(OCCCN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512620432 1040283808 /nfs/dbraw/zinc/28/38/08/1040283808.db2.gz QLUDVTJJIOLCJI-CQSZACIVSA-N 0 3 328.387 3.826 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169756 1040345733 /nfs/dbraw/zinc/34/57/33/1040345733.db2.gz RSGYIMHVWVJLAQ-MRXNPFEDSA-N 0 3 328.456 3.651 20 30 EHEDHN COc1ccc(O[C@@H](C)CN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512665904 1040459405 /nfs/dbraw/zinc/45/94/05/1040459405.db2.gz IALJDXTYPVOSMK-KBPBESRZSA-N 0 3 328.387 3.824 20 30 EHEDHN C[C@H](CN(Cc1cc(C#N)ccc1F)[C@@H](C)CO)c1ccccc1 ZINC000553936548 1040591281 /nfs/dbraw/zinc/59/12/81/1040591281.db2.gz XDYXWNRTCKAZQS-CVEARBPZSA-N 0 3 326.415 3.684 20 30 EHEDHN CC(C)[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCN1C ZINC000487082074 1040692703 /nfs/dbraw/zinc/69/27/03/1040692703.db2.gz BWZMYFVQYXSMNY-KRWDZBQOSA-N 0 3 328.847 3.536 20 30 EHEDHN C[C@H](NCCC1(C#N)CCCCC1)c1ccc2c(c1)NC(=O)CO2 ZINC000411455700 1040883404 /nfs/dbraw/zinc/88/34/04/1040883404.db2.gz TWVRPBWOZKAXBP-AWEZNQCLSA-N 0 3 327.428 3.532 20 30 EHEDHN CC[C@H](CN(CC)[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000481682969 1041231172 /nfs/dbraw/zinc/23/11/72/1041231172.db2.gz BVIDWHDNDNRQTA-XLIONFOSSA-N 0 3 335.451 3.600 20 30 EHEDHN Cc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)c(CN(C)C)c1 ZINC000433345476 1041307956 /nfs/dbraw/zinc/30/79/56/1041307956.db2.gz XOLZOFORSWKIIT-SFHVURJKSA-N 0 3 335.451 3.768 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCCSC ZINC000124012422 1041522724 /nfs/dbraw/zinc/52/27/24/1041522724.db2.gz NTPJZRXDRUUGJL-INIZCTEOSA-N 0 3 346.496 3.992 20 30 EHEDHN COc1cccc(/C=N/CC(C)(C)N2CCc3ccccc3C2)c1O ZINC000026432275 1041718608 /nfs/dbraw/zinc/71/86/08/1041718608.db2.gz ZZGOZGDKHLPANT-LPYMAVHISA-N 0 3 338.451 3.657 20 30 EHEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CCC(F)(F)C1 ZINC000313251286 1041858020 /nfs/dbraw/zinc/85/80/20/1041858020.db2.gz XJWGMIILZBEOLM-ZDUSSCGKSA-N 0 3 344.199 3.739 20 30 EHEDHN C=CCN(CC(=O)N[C@H](c1nccs1)c1ccccc1)C(C)(C)C ZINC000661760734 1042312779 /nfs/dbraw/zinc/31/27/79/1042312779.db2.gz YGXAEWIJHLSDDQ-KRWDZBQOSA-N 0 3 343.496 3.635 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000432262638 1042441585 /nfs/dbraw/zinc/44/15/85/1042441585.db2.gz ODTILCMYLQYVBN-UHFFFAOYSA-N 0 3 340.471 3.597 20 30 EHEDHN CC[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000343905782 1042782633 /nfs/dbraw/zinc/78/26/33/1042782633.db2.gz KTNNZHIZAHTWMP-SJORKVTESA-N 0 3 345.462 3.973 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)C[C@H]2CC=CCC2)c1C ZINC000344032845 1043141356 /nfs/dbraw/zinc/14/13/56/1043141356.db2.gz DXIBFUGMMJTBIQ-IBGZPJMESA-N 0 3 339.483 3.838 20 30 EHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1ccccn1 ZINC000188677047 1043620540 /nfs/dbraw/zinc/62/05/40/1043620540.db2.gz DAXBBNAHXFCZOS-VIFPVBQESA-N 0 3 328.784 3.677 20 30 EHEDHN CC[C@@H](NCc1cccc(OCCCC#N)c1)c1c(C)nn(C)c1C ZINC000344759677 1044390071 /nfs/dbraw/zinc/39/00/71/1044390071.db2.gz MGBUHTBUTLWKKZ-LJQANCHMSA-N 0 3 340.471 3.960 20 30 EHEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(C)cc1 ZINC000192674983 1126926633 /nfs/dbraw/zinc/92/66/33/1126926633.db2.gz MDNNZKCRCOMJTD-WMZOPIPTSA-N 0 3 327.472 3.767 20 30 EHEDHN C=C[C@H](CC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1 ZINC000180139229 1127125555 /nfs/dbraw/zinc/12/55/55/1127125555.db2.gz JOHGDZHYOGLGKA-AGHHOFFYSA-N 0 3 334.463 3.908 20 30 EHEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(F)c(Br)cc1F ZINC000623928610 1127215459 /nfs/dbraw/zinc/21/54/59/1127215459.db2.gz UXANBGBIDOFDEK-VHSXEESVSA-N 0 3 334.204 3.563 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)CC1 ZINC000172384052 1127931073 /nfs/dbraw/zinc/93/10/73/1127931073.db2.gz OKDFVVLTSJRSOW-ZWKOTPCHSA-N 0 3 341.499 3.533 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC2(CCC2)CC1 ZINC000671728879 1128143548 /nfs/dbraw/zinc/14/35/48/1128143548.db2.gz WCWJQYAIQXANFP-MRXNPFEDSA-N 0 3 332.513 3.917 20 30 EHEDHN N#Cc1ccc(OC2CC[NH+](Cc3ccccc3[O-])CC2)cc1Cl ZINC001203558494 1128403918 /nfs/dbraw/zinc/40/39/18/1128403918.db2.gz KUAFRZDBGDTGBG-UHFFFAOYSA-N 0 3 342.826 3.961 20 30 EHEDHN N#Cc1cc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)cs1 ZINC000921651192 1128433221 /nfs/dbraw/zinc/43/32/21/1128433221.db2.gz BXSARLNWROACAL-UHFFFAOYSA-N 0 3 340.448 3.950 20 30 EHEDHN Cc1ccc([C@H](CNc2nnc(C)c(C)c2C#N)N2CCCC2)cc1 ZINC000301075651 1128571941 /nfs/dbraw/zinc/57/19/41/1128571941.db2.gz CZTJUANPENJDSW-IBGZPJMESA-N 0 3 335.455 3.523 20 30 EHEDHN N#Cc1cc(NC[C@@H](c2ccco2)N2CCCC2)c2ccccc2n1 ZINC000301371216 1128588446 /nfs/dbraw/zinc/58/84/46/1128588446.db2.gz VHTUZDTUELASAL-IBGZPJMESA-N 0 3 332.407 3.948 20 30 EHEDHN N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000302189730 1128624644 /nfs/dbraw/zinc/62/46/44/1128624644.db2.gz XYWVSZGQKAOSQN-KRWDZBQOSA-N 0 3 336.395 3.543 20 30 EHEDHN N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000765928676 1128759864 /nfs/dbraw/zinc/75/98/64/1128759864.db2.gz YQENPUSEJCOHEM-ZTFGCOKTSA-N 0 3 347.890 3.682 20 30 EHEDHN CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000074565217 1128815062 /nfs/dbraw/zinc/81/50/62/1128815062.db2.gz HETUVFXICLAQHU-UHFFFAOYSA-N 0 3 337.354 3.757 20 30 EHEDHN Cc1nc(CNC2CCC(Oc3ccccc3C#N)CC2)cs1 ZINC000111408933 1128864366 /nfs/dbraw/zinc/86/43/66/1128864366.db2.gz GWWTUQXFRYHMPG-UHFFFAOYSA-N 0 3 327.453 3.803 20 30 EHEDHN C[C@H](NCc1cccc(N2CCOC2=O)c1)c1ccc(C#N)c(F)c1 ZINC000494625013 1120704446 /nfs/dbraw/zinc/70/44/46/1120704446.db2.gz NOLXWTUTGYLNNN-ZDUSSCGKSA-N 0 3 339.370 3.505 20 30 EHEDHN N#Cc1ccccc1N1CCCN(Cc2scnc2C2CC2)CC1 ZINC000494929258 1120907925 /nfs/dbraw/zinc/90/79/25/1120907925.db2.gz HVJAGGGMIAKDRV-UHFFFAOYSA-N 0 3 338.480 3.604 20 30 EHEDHN CC[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000915218593 1121258898 /nfs/dbraw/zinc/25/88/98/1121258898.db2.gz YSUFUXKXQLGGDO-QZTJIDSGSA-N 0 3 327.472 3.752 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000171680246 1121414489 /nfs/dbraw/zinc/41/44/89/1121414489.db2.gz NPZAILQSOMHEMK-UHFFFAOYSA-N 0 3 328.243 3.765 20 30 EHEDHN CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1[O-] ZINC000272530231 1121676303 /nfs/dbraw/zinc/67/63/03/1121676303.db2.gz QUMPUAWSEFZBBK-MOPGFXCFSA-N 0 3 349.434 3.500 20 30 EHEDHN CC[C@@H](NCc1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000496093540 1121686556 /nfs/dbraw/zinc/68/65/56/1121686556.db2.gz NMZARVVKPCITGG-LJQANCHMSA-N 0 3 335.407 3.756 20 30 EHEDHN CCCN1CCN(c2ccccc2C=[NH+][N-]c2ccc(C#N)cc2)CC1 ZINC000915962686 1122009373 /nfs/dbraw/zinc/00/93/73/1122009373.db2.gz UTZKCEDGVQQUPV-UHFFFAOYSA-N 0 3 347.466 3.536 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000916878445 1122377833 /nfs/dbraw/zinc/37/78/33/1122377833.db2.gz WTATVPPOAMOBDH-YJBOKZPZSA-N 0 3 344.455 3.593 20 30 EHEDHN CC(C)c1ccccc1OCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000916899962 1122382071 /nfs/dbraw/zinc/38/20/71/1122382071.db2.gz YABCOKVGQYOWHC-QGZVFWFLSA-N 0 3 336.391 3.536 20 30 EHEDHN CC1CCC(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000917054156 1122450720 /nfs/dbraw/zinc/45/07/20/1122450720.db2.gz VYSCTIJQEYCZGJ-NRXISQOPSA-N 0 3 341.480 3.983 20 30 EHEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)C1=O ZINC000499608939 1129077548 /nfs/dbraw/zinc/07/75/48/1129077548.db2.gz WXNXRNPPWXGEGW-QRWLVFNGSA-N 0 3 338.426 3.930 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCSC(C)(C)C)c1 ZINC000155115726 1123197027 /nfs/dbraw/zinc/19/70/27/1123197027.db2.gz APLOEEYIIBSFOQ-HNNXBMFYSA-N 0 3 332.469 3.954 20 30 EHEDHN C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)C1=CCN(C)CC1 ZINC000272798588 1123368669 /nfs/dbraw/zinc/36/86/69/1123368669.db2.gz UOCMJYILFZXDDD-MRXNPFEDSA-N 0 3 345.446 3.605 20 30 EHEDHN N#Cc1ccc(OCCNCc2ccc(Br)cc2F)cc1 ZINC000237698943 1123821287 /nfs/dbraw/zinc/82/12/87/1123821287.db2.gz VSDCMHRTWYPXIZ-UHFFFAOYSA-N 0 3 349.203 3.628 20 30 EHEDHN COCc1ccc([C@H]2CCCN2CCCOc2ccc(C#N)cc2)o1 ZINC000130815848 1123913449 /nfs/dbraw/zinc/91/34/49/1123913449.db2.gz RLGPJJZUXJKAGU-LJQANCHMSA-N 0 3 340.423 3.904 20 30 EHEDHN CS[C@@H]1CCCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000247009137 1124577532 /nfs/dbraw/zinc/57/75/32/1124577532.db2.gz XIYLKLIQZYNNPA-FUHWJXTLSA-N 0 3 345.512 3.539 20 30 EHEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182054295 1125140430 /nfs/dbraw/zinc/14/04/30/1125140430.db2.gz HPCSPEVCMKKDSO-HNNXBMFYSA-N 0 3 336.826 3.623 20 30 EHEDHN C#CCOc1ccc([C@@H](C)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000182637134 1125346599 /nfs/dbraw/zinc/34/65/99/1125346599.db2.gz YLHOJGJNYXXAGO-GOSISDBHSA-N 0 3 349.478 3.624 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](C(C)(C)C)C2)c1C ZINC000543249616 1129372715 /nfs/dbraw/zinc/37/27/15/1129372715.db2.gz LWICVYCGWYFETL-GOSISDBHSA-N 0 3 341.499 3.918 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000156558756 1129724140 /nfs/dbraw/zinc/72/41/40/1129724140.db2.gz IQIHQOIOPURSCW-IRXDYDNUSA-N 0 3 342.464 3.716 20 30 EHEDHN COC(=O)c1cc2cc(CN(C)Cc3cccc(C#N)c3)ccc2o1 ZINC000172748610 1130157770 /nfs/dbraw/zinc/15/77/70/1130157770.db2.gz HEGQUVKOHCNYHU-UHFFFAOYSA-N 0 3 334.375 3.723 20 30 EHEDHN N#Cc1ccc(OC[C@H](O)CN2CCCCC[C@H]2c2ccco2)cc1 ZINC000246734336 1130408866 /nfs/dbraw/zinc/40/88/66/1130408866.db2.gz JTTRZUTVDOQZAS-MJGOQNOKSA-N 0 3 340.423 3.508 20 30 EHEDHN C=CCN1CCC(NC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000729979102 1130661684 /nfs/dbraw/zinc/66/16/84/1130661684.db2.gz ZHXOKSSTDXRSHK-UHFFFAOYSA-N 0 3 343.496 3.536 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000730917485 1130750927 /nfs/dbraw/zinc/75/09/27/1130750927.db2.gz KYDKCWQKJTZBRI-VAMGGRTRSA-N 0 3 348.446 3.959 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000731288625 1130783297 /nfs/dbraw/zinc/78/32/97/1130783297.db2.gz YOKNNSCRWPSQHR-HSALFYBXSA-N 0 3 348.446 3.959 20 30 EHEDHN N#CC(C(=O)CCCc1nc(C2CC2)no1)c1ccc2ccccc2n1 ZINC000740527893 1131532670 /nfs/dbraw/zinc/53/26/70/1131532670.db2.gz NTPHOLSRCKDHMH-HNNXBMFYSA-N 0 3 346.390 3.694 20 30 EHEDHN C[C@@H]1CC(=NN=C(C(=O)c2ccccc2)c2ccccc2)CCN1C ZINC000741452091 1131607730 /nfs/dbraw/zinc/60/77/30/1131607730.db2.gz XEPAHVUJXKSIEV-MRXNPFEDSA-N 0 3 333.435 3.829 20 30 EHEDHN Cc1ccccc1CN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982633 1131924944 /nfs/dbraw/zinc/92/49/44/1131924944.db2.gz BHWPRFIWBSWBLK-MSOLQXFVSA-N 0 3 343.471 3.719 20 30 EHEDHN CC(C)(C)OC(=O)N1CCN(C2CCC(CC#N)CC2)CC1(C)C ZINC001173339142 1132054253 /nfs/dbraw/zinc/05/42/53/1132054253.db2.gz MRBPMHXJMATIGK-UHFFFAOYSA-N 0 3 335.492 3.790 20 30 EHEDHN COc1ccc(CN[C@H](C)[C@@H](O)c2c(F)cccc2Cl)cc1C#N ZINC000744447242 1132101208 /nfs/dbraw/zinc/10/12/08/1132101208.db2.gz HWRCJYKYTUPVBL-ADLMAVQZSA-N 0 3 348.805 3.571 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H](F)c1ccccc1 ZINC000769282744 1133254502 /nfs/dbraw/zinc/25/45/02/1133254502.db2.gz PJJDOCJDJRQLOR-IUODEOHRSA-N 0 3 330.746 3.698 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@H](NCC#Cc1ccccc1)C1CCCC1 ZINC000769919508 1133359378 /nfs/dbraw/zinc/35/93/78/1133359378.db2.gz GBFKWAGGHCRLSR-IBGZPJMESA-N 0 3 342.483 3.711 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC001182146621 1133578427 /nfs/dbraw/zinc/57/84/27/1133578427.db2.gz ORTOIZSGHKKSOL-NRFANRHFSA-N 0 3 348.490 3.759 20 30 EHEDHN CC[C@H](N[C@@H]1CCN(c2ccc(C)cc2)C1=O)c1ccc(C#N)cc1 ZINC000774250400 1133643390 /nfs/dbraw/zinc/64/33/90/1133643390.db2.gz DQKFTERDPDFRIC-VQTJNVASSA-N 0 3 333.435 3.713 20 30 EHEDHN C=C[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000785998584 1133789495 /nfs/dbraw/zinc/78/94/95/1133789495.db2.gz IPVIWKDKQDPPFR-KBPBESRZSA-N 0 3 325.437 3.513 20 30 EHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(N2CCOC2=O)c1 ZINC000787029997 1133940762 /nfs/dbraw/zinc/94/07/62/1133940762.db2.gz ZLTXYZASWITQNL-VBKZILBWSA-N 0 3 347.418 3.853 20 30 EHEDHN CC[C@H]1CC[C@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)CC1 ZINC000787066908 1133945462 /nfs/dbraw/zinc/94/54/62/1133945462.db2.gz GUEUGLLFHGNGEX-SZMVWBNQSA-N 0 3 326.440 3.570 20 30 EHEDHN COc1cccc(/C=N/C[C@@H](c2ccc(Cl)cc2)N(C)C)c1O ZINC000746817134 1134273188 /nfs/dbraw/zinc/27/31/88/1134273188.db2.gz WOSUVCKUUPIGSO-YODDIOPGSA-N 0 3 332.831 3.776 20 30 EHEDHN Cc1cc(N=Cc2ccccc2O)cc(N2CCN(C(C)C)CC2)c1 ZINC000790098409 1134370478 /nfs/dbraw/zinc/37/04/78/1134370478.db2.gz HPELISZCANOTHC-UHFFFAOYSA-N 0 3 337.467 3.982 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001189753493 1134621255 /nfs/dbraw/zinc/62/12/55/1134621255.db2.gz KTQSSOPPZFAGQB-HNNXBMFYSA-N 0 3 330.453 3.617 20 30 EHEDHN COc1ccc(O)c([C@H](C)NCc2cc(Cl)ccc2OCC#N)c1 ZINC000775375168 1134687888 /nfs/dbraw/zinc/68/78/88/1134687888.db2.gz JDRDZAZRTGRYGL-LBPRGKRZSA-N 0 3 346.814 3.807 20 30 EHEDHN CCCCCCCCOC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC001194735385 1135308198 /nfs/dbraw/zinc/30/81/98/1135308198.db2.gz NMMLOJFAXIYASM-UHFFFAOYSA-N 0 3 348.491 3.742 20 30 EHEDHN CN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001195022325 1135354039 /nfs/dbraw/zinc/35/40/39/1135354039.db2.gz LWUVBOSALJSOKF-PMACEKPBSA-N 0 3 333.435 3.765 20 30 EHEDHN C=CCN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)C(C)C ZINC000747297618 1135373060 /nfs/dbraw/zinc/37/30/60/1135373060.db2.gz WTBVIETYRMRAPA-UHFFFAOYSA-N 0 3 347.528 3.706 20 30 EHEDHN C#Cc1ccc(NC(=O)CCN2CCc3cc(F)ccc3[C@H]2C)cc1 ZINC001197495927 1135700440 /nfs/dbraw/zinc/70/04/40/1135700440.db2.gz IMXMOXXXIPJNFX-OAHLLOKOSA-N 0 3 336.410 3.755 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H]1CCc2cccc3cccc1c32 ZINC001197987158 1135763724 /nfs/dbraw/zinc/76/37/24/1135763724.db2.gz APQSSTDBJITODP-WQFQCULDSA-N 0 3 349.478 3.860 20 30 EHEDHN C#C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000809682741 1135871318 /nfs/dbraw/zinc/87/13/18/1135871318.db2.gz AFERQJOWYSGKNU-OAHLLOKOSA-N 0 3 346.390 3.559 20 30 EHEDHN N#Cc1cc(CNCCOc2cccc(C(F)(F)F)c2)cs1 ZINC001199464768 1135905744 /nfs/dbraw/zinc/90/57/44/1135905744.db2.gz MDUPDAMXMCZTLM-UHFFFAOYSA-N 0 3 326.343 3.807 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810077339 1135918339 /nfs/dbraw/zinc/91/83/39/1135918339.db2.gz GNAWSMPSNZHXGS-FQEVSTJZSA-N 0 3 345.462 3.509 20 30 EHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810129932 1135925201 /nfs/dbraw/zinc/92/52/01/1135925201.db2.gz RPOKPIWGUAWIOC-MRXNPFEDSA-N 0 3 333.435 3.926 20 30 EHEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(N2CCOC2=O)cc1 ZINC000810212193 1135944142 /nfs/dbraw/zinc/94/41/42/1135944142.db2.gz NQBJUYINHQDBNX-JLTOFOAXSA-N 0 3 347.418 3.853 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(OCC(F)F)c2)cc1 ZINC000105483277 1135949984 /nfs/dbraw/zinc/94/99/84/1135949984.db2.gz VVVVTLNEALGPSI-AWEZNQCLSA-N 0 3 346.377 3.911 20 30 EHEDHN CCCCCCCCCCN1CCOC2(CCN(C(C)=O)CC2)C1 ZINC001201875414 1136072291 /nfs/dbraw/zinc/07/22/91/1136072291.db2.gz YWUDKRGMFKDUCO-UHFFFAOYSA-N 0 3 338.536 3.840 20 30 EHEDHN CCCc1cccc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC001201969880 1136079783 /nfs/dbraw/zinc/07/97/83/1136079783.db2.gz BJNOYNNNJVLSSP-NRFANRHFSA-N 0 3 347.462 3.796 20 30 EHEDHN COC1(CNCc2cc(C#N)ccc2Br)CCCCC1 ZINC001202066364 1136088605 /nfs/dbraw/zinc/08/86/05/1136088605.db2.gz WBDFOSAJDWOXBP-UHFFFAOYSA-N 0 3 337.261 3.760 20 30 EHEDHN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2SC(=O)C=C2C1 ZINC001202410097 1136138101 /nfs/dbraw/zinc/13/81/01/1136138101.db2.gz WIPCHQMPFMINMB-GFCCVEGCSA-N 0 3 342.342 3.511 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)[C@@H](C)COC)cc1 ZINC000813059510 1136283737 /nfs/dbraw/zinc/28/37/37/1136283737.db2.gz AXRMJFBRRMEWIG-RLFYNMQTSA-N 0 3 344.455 3.595 20 30 EHEDHN N#CC(C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1nc2ccccc2[nH]1 ZINC000850739434 1136298345 /nfs/dbraw/zinc/29/83/45/1136298345.db2.gz VGNFEQOKYUGLJF-PJQXDXOGSA-N 0 3 329.350 3.955 20 30 EHEDHN C=CCCCCCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850765537 1136302360 /nfs/dbraw/zinc/30/23/60/1136302360.db2.gz YFPOZQSTPKYRBZ-GOSISDBHSA-N 0 3 331.460 3.606 20 30 EHEDHN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000813213468 1136303855 /nfs/dbraw/zinc/30/38/55/1136303855.db2.gz MQLVQXURIPLHSP-BNOWGMLFSA-N 0 3 340.345 3.872 20 30 EHEDHN C[C@@H](CC(C)(C)C#N)OC(=O)C1CCN(c2ccc(Cl)cc2)C1=O ZINC000851210751 1136352139 /nfs/dbraw/zinc/35/21/39/1136352139.db2.gz UUYOOQKNABEHIU-SWLSCSKDSA-N 0 3 348.830 3.564 20 30 EHEDHN C=CCN(CCC(=O)OCc1ccccc1)Cc1cccc(C#N)c1 ZINC000776579571 1136444755 /nfs/dbraw/zinc/44/47/55/1136444755.db2.gz NNOWVHRLEIDZPX-UHFFFAOYSA-N 0 3 334.419 3.680 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN2CC[C@@](C)(C#N)C2)CC1 ZINC000852687325 1136478052 /nfs/dbraw/zinc/47/80/52/1136478052.db2.gz SQRDRKUWNUZHCQ-BXWFABGCSA-N 0 3 335.492 3.553 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000814660905 1136487283 /nfs/dbraw/zinc/48/72/83/1136487283.db2.gz UHIMJKBGZVFSNF-HNNXBMFYSA-N 0 3 342.830 3.698 20 30 EHEDHN CCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)o1 ZINC000815909179 1136647126 /nfs/dbraw/zinc/64/71/26/1136647126.db2.gz SXJKHQAUFJNPAM-OAHLLOKOSA-N 0 3 347.374 3.660 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000776798602 1136671991 /nfs/dbraw/zinc/67/19/91/1136671991.db2.gz KZAOWDKNIPDNQX-YJBOKZPZSA-N 0 3 343.471 3.744 20 30 EHEDHN C=CCCO[C@H](C)C(=O)O[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000816468876 1136719768 /nfs/dbraw/zinc/71/97/68/1136719768.db2.gz OUZYAVRSKKJKKS-SCTDSRPQSA-N 0 3 331.456 3.564 20 30 EHEDHN c1cnc2sc(N=NC3CCCC[C@H]3N3CCCCC3)nc2c1 ZINC000857218704 1136854738 /nfs/dbraw/zinc/85/47/38/1136854738.db2.gz PQHJDDLKIIPLID-OAHLLOKOSA-N 0 3 329.473 3.888 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858605857 1136982380 /nfs/dbraw/zinc/98/23/80/1136982380.db2.gz ZVOQQYRMDKXNBO-YCRPNKLZSA-N 0 3 336.435 3.904 20 30 EHEDHN COc1cccc([C@H](O)C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000860132874 1137045695 /nfs/dbraw/zinc/04/56/95/1137045695.db2.gz CERPGGVVQZZVIX-OAQYLSRUSA-N 0 3 336.435 3.512 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1)c1ccccc1 ZINC000860693323 1137073278 /nfs/dbraw/zinc/07/32/78/1137073278.db2.gz FYYLYNQZVQCHEI-UAGQMJEPSA-N 0 3 338.407 3.750 20 30 EHEDHN CN1CCCC[C@@H]1c1ccc(NC(=N)c2ccc3ccccc3n2)nc1 ZINC001171046190 1137125230 /nfs/dbraw/zinc/12/52/30/1137125230.db2.gz LMYZDVRASFDOHB-LJQANCHMSA-N 0 3 345.450 3.824 20 30 EHEDHN CCOc1c(F)cc(CN2CCC3SC(=O)C=C3C2)cc1Cl ZINC001143739134 1137194861 /nfs/dbraw/zinc/19/48/61/1137194861.db2.gz JJDGQHZUVTXUMH-AWEZNQCLSA-N 0 3 341.835 3.652 20 30 EHEDHN CCCN(Cc1ccccc1O)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844301862 1137210362 /nfs/dbraw/zinc/21/03/62/1137210362.db2.gz YEQRUKTUQHVROK-UHFFFAOYSA-N 0 3 325.368 3.584 20 30 EHEDHN CCc1nc(C(C)C)ccc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370813 1137213300 /nfs/dbraw/zinc/21/33/00/1137213300.db2.gz JUMLQDHEQBIISL-NRFANRHFSA-N 0 3 337.467 3.804 20 30 EHEDHN N#Cc1cncc(CN2CCC3(CC2)OCc2ccc(Cl)cc23)c1 ZINC001144083672 1137237608 /nfs/dbraw/zinc/23/76/08/1137237608.db2.gz NLCGUZIDEVWPNG-UHFFFAOYSA-N 0 3 339.826 3.628 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)nc1 ZINC001144163202 1137246785 /nfs/dbraw/zinc/24/67/85/1137246785.db2.gz UPZBLNZTXJNEQC-OAHLLOKOSA-N 0 3 331.341 3.962 20 30 EHEDHN C#Cc1ccc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 ZINC001144567681 1137311246 /nfs/dbraw/zinc/31/12/46/1137311246.db2.gz YOGZOSFQKGQOQW-UHFFFAOYSA-N 0 3 325.839 3.805 20 30 EHEDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)c([O-])c1 ZINC000866448671 1137355598 /nfs/dbraw/zinc/35/55/98/1137355598.db2.gz JEWYCNCUIFYDDT-MRXNPFEDSA-N 0 3 335.451 3.892 20 30 EHEDHN COc1ccc(N2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)c(C)c1 ZINC001171232759 1137356143 /nfs/dbraw/zinc/35/61/43/1137356143.db2.gz WCOHWBMNDMBMCU-SFHVURJKSA-N 0 3 349.478 3.629 20 30 EHEDHN CCN1C[C@@H](CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)OC1=O ZINC000846852061 1137371860 /nfs/dbraw/zinc/37/18/60/1137371860.db2.gz VWFRZFGYKMFHHB-FOIQADDNSA-N 0 3 349.434 3.717 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000282716550 1137441306 /nfs/dbraw/zinc/44/13/06/1137441306.db2.gz LSTFIWRLTKQODX-LALPHHSUSA-N 0 3 335.245 3.945 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC2CCC2)c1 ZINC000348196683 1137453935 /nfs/dbraw/zinc/45/39/35/1137453935.db2.gz HUQCAAUWIBIMHS-QGZVFWFLSA-N 0 3 327.472 3.671 20 30 EHEDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000870140541 1137478617 /nfs/dbraw/zinc/47/86/17/1137478617.db2.gz ZOHRJVYDWZCFCA-COWMOVNHSA-N 0 3 332.403 3.779 20 30 EHEDHN N=C(N[C@@H]1CCc2cc(F)c(F)cc2C1)c1ccc2ccccc2n1 ZINC001171463029 1137490914 /nfs/dbraw/zinc/49/09/14/1137490914.db2.gz LTBPLCQKXJDYPY-OAHLLOKOSA-N 0 3 337.373 3.776 20 30 EHEDHN CC(=O)c1ccc(C#N)cc1NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000795179767 1137547884 /nfs/dbraw/zinc/54/78/84/1137547884.db2.gz NHHRRARVWPEMQV-LJQANCHMSA-N 0 3 333.435 3.695 20 30 EHEDHN C#CCOc1ccccc1CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000124608072 1137605926 /nfs/dbraw/zinc/60/59/26/1137605926.db2.gz NXVUMVUQOCCFJO-JOCHJYFZSA-N 0 3 335.447 3.644 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000876662978 1137658468 /nfs/dbraw/zinc/65/84/68/1137658468.db2.gz UUYGOZTYIBSDRM-RYUDHWBXSA-N 0 3 333.646 3.567 20 30 EHEDHN CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)[C@H](N)CCCCC#N ZINC000877428758 1137676123 /nfs/dbraw/zinc/67/61/23/1137676123.db2.gz YAZFKXCUAWQXNS-IAGOWNOFSA-N 0 3 347.890 3.846 20 30 EHEDHN CCC[C@@H](NCc1cc(C#N)cnc1Cl)[C@@H](O)c1ccccc1 ZINC000877488647 1137678160 /nfs/dbraw/zinc/67/81/60/1137678160.db2.gz HRCOATRMSJRNPB-SJORKVTESA-N 0 3 329.831 3.599 20 30 EHEDHN C[C@H](CCOCc1ccccc1)NCc1cc(C#N)cnc1Cl ZINC000877531793 1137679900 /nfs/dbraw/zinc/67/99/00/1137679900.db2.gz CGNUZCKDZOPEDF-CQSZACIVSA-N 0 3 329.831 3.692 20 30 EHEDHN COc1cc(CCNCc2cc(C#N)cnc2Cl)ccc1Cl ZINC000877554427 1137681159 /nfs/dbraw/zinc/68/11/59/1137681159.db2.gz IRJBZAAEQZRHKZ-UHFFFAOYSA-N 0 3 336.222 3.601 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H](NCC3(C#N)CCC3)CC[C@@H]21 ZINC000877594012 1137682431 /nfs/dbraw/zinc/68/24/31/1137682431.db2.gz MJAFDGTVFBZBTH-ZACQAIPSSA-N 0 3 347.503 3.838 20 30 EHEDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1OCCCC#N ZINC000877756293 1137688243 /nfs/dbraw/zinc/68/82/43/1137688243.db2.gz FPXOZIYCAKIALY-OAHLLOKOSA-N 0 3 340.423 3.934 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3cccc4nccnc43)CC2)cc1 ZINC000877762643 1137688704 /nfs/dbraw/zinc/68/87/04/1137688704.db2.gz HNPNNYKLGMZMEJ-UHFFFAOYSA-N 0 3 343.434 3.578 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(N(CC)CC)nc2)cc1 ZINC000126814810 1137697430 /nfs/dbraw/zinc/69/74/30/1137697430.db2.gz YBHPXDAQYYZLBK-QGZVFWFLSA-N 0 3 337.467 3.791 20 30 EHEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@@]2(CCSC2)C1)c1ccccc1 ZINC000878689268 1137725086 /nfs/dbraw/zinc/72/50/86/1137725086.db2.gz FICOXIPNYKXARO-UXHICEINSA-N 0 3 342.508 3.646 20 30 EHEDHN CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[C@@H]1C#N ZINC000879311791 1137744048 /nfs/dbraw/zinc/74/40/48/1137744048.db2.gz VOQZLNDRHZAWJB-SJORKVTESA-N 0 3 335.492 3.648 20 30 EHEDHN C#CCC1(O)CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000880479350 1137779773 /nfs/dbraw/zinc/77/97/73/1137779773.db2.gz NTCXZTVGBIGGOQ-UHFFFAOYSA-N 0 3 335.447 3.616 20 30 EHEDHN CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000130729942 1137841527 /nfs/dbraw/zinc/84/15/27/1137841527.db2.gz ANTBDRHRDAOFKI-UHFFFAOYSA-N 0 3 337.423 3.505 20 30 EHEDHN CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000130729942 1137841528 /nfs/dbraw/zinc/84/15/28/1137841528.db2.gz ANTBDRHRDAOFKI-UHFFFAOYSA-N 0 3 337.423 3.505 20 30 EHEDHN CCSc1ccc(Cl)cc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884126758 1137913083 /nfs/dbraw/zinc/91/30/83/1137913083.db2.gz JWWONSIBWDRJNW-JKGQDXBKSA-N 0 3 349.887 3.530 20 30 EHEDHN C=CCC[C@@H](N[C@H]1CCCn2nc(C(=O)OC)cc21)c1ccccc1 ZINC000886553432 1138095595 /nfs/dbraw/zinc/09/55/95/1138095595.db2.gz NCHYUYDETAQXPD-SJORKVTESA-N 0 3 339.439 3.802 20 30 EHEDHN C[C@H]1CCC[C@H](N(C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072561464 1138105654 /nfs/dbraw/zinc/10/56/54/1138105654.db2.gz IGJDZDSUXACVNO-GJZGRUSLSA-N 0 3 331.485 3.751 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccnc(N3CCCC3)c2)cc1 ZINC000131409988 1138515887 /nfs/dbraw/zinc/51/58/87/1138515887.db2.gz FNFDGGIRRDXIQK-QGZVFWFLSA-N 0 3 335.451 3.545 20 30 EHEDHN C=CCN1CCC(NC(=O)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000264512542 1138542393 /nfs/dbraw/zinc/54/23/93/1138542393.db2.gz UIRCRLVPYBZNRG-UHFFFAOYSA-N 0 3 341.282 3.693 20 30 EHEDHN CC(C)NC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000173916718 1139386961 /nfs/dbraw/zinc/38/69/61/1139386961.db2.gz SFQNATJXDWJCGL-HNNXBMFYSA-N 0 3 336.439 3.939 20 30 EHEDHN CC(C)(C#N)CCCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000174832840 1139445516 /nfs/dbraw/zinc/44/55/16/1139445516.db2.gz QKUOBTLMKJSQOZ-UHFFFAOYSA-N 0 3 347.890 3.818 20 30 EHEDHN N#Cc1ccc(CNCc2ccc(COCC(F)(F)F)cc2)s1 ZINC000176945623 1139588634 /nfs/dbraw/zinc/58/86/34/1139588634.db2.gz ADCNIFCXZXBOBP-UHFFFAOYSA-N 0 3 340.370 3.988 20 30 EHEDHN C[C@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000177551606 1139626430 /nfs/dbraw/zinc/62/64/30/1139626430.db2.gz NUOHJXUFPODDCS-HNAYVOBHSA-N 0 3 344.418 3.986 20 30 EHEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000185841294 1140172734 /nfs/dbraw/zinc/17/27/34/1140172734.db2.gz BQBSWOPPEOMBTI-OFQRWUPVSA-N 0 3 331.847 3.507 20 30 EHEDHN Cn1cc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1C#N ZINC000191428724 1140463283 /nfs/dbraw/zinc/46/32/83/1140463283.db2.gz QATMSJAMPXJSDH-HNNXBMFYSA-N 0 3 340.496 3.612 20 30 EHEDHN COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)C2CC2)cc1 ZINC000193347196 1140572380 /nfs/dbraw/zinc/57/23/80/1140572380.db2.gz FBEDFXJGWXJPAL-XOBRGWDASA-N 0 3 349.434 3.635 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000266448963 1140689037 /nfs/dbraw/zinc/68/90/37/1140689037.db2.gz IVPLSZPCTFWIGQ-HZPDHXFCSA-N 0 3 338.451 3.704 20 30 EHEDHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1NC(C)=O ZINC000268794588 1140993807 /nfs/dbraw/zinc/99/38/07/1140993807.db2.gz HKIQKMFTEQQBFQ-UONOGXRCSA-N 0 3 337.423 3.937 20 30 EHEDHN COCc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000271149939 1141315353 /nfs/dbraw/zinc/31/53/53/1141315353.db2.gz CSRRUULEKQJHBN-UHFFFAOYSA-N 0 3 336.435 3.748 20 30 EHEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283290033 1141586623 /nfs/dbraw/zinc/58/66/23/1141586623.db2.gz XXPDSVRGUHHIHF-IBGZPJMESA-N 0 3 341.499 3.801 20 30 EHEDHN C=CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735412674 598860622 /nfs/dbraw/zinc/86/06/22/598860622.db2.gz IDVMNRXXSWDPLH-UHFFFAOYSA-N 0 3 337.402 3.584 20 30 EHEDHN C=CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735412674 598860624 /nfs/dbraw/zinc/86/06/24/598860624.db2.gz IDVMNRXXSWDPLH-UHFFFAOYSA-N 0 3 337.402 3.584 20 30 EHEDHN Cc1cc(C)cc([C@@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)c1 ZINC000183214117 1125479031 /nfs/dbraw/zinc/47/90/31/1125479031.db2.gz PETCXQIFAZLCBQ-GOSISDBHSA-N 0 3 330.435 3.812 20 30 EHEDHN CCc1ncsc1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000160168055 1014178282 /nfs/dbraw/zinc/17/82/82/1014178282.db2.gz PTBKWWOCIZYWPR-AWEZNQCLSA-N 0 3 349.415 3.820 20 30 EHEDHN N#CC(C(=O)C=Cc1cc(Br)ccc1F)c1ccccn1 ZINC000049456406 1014179754 /nfs/dbraw/zinc/17/97/54/1014179754.db2.gz JAWRBGBUIQMCDI-LVDDQXARSA-N 0 3 345.171 3.873 20 30 EHEDHN Cc1nc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)cc1C#N ZINC000336713219 1015197305 /nfs/dbraw/zinc/19/73/05/1015197305.db2.gz OIRWOYCHMOYMQT-QGZVFWFLSA-N 0 3 340.858 3.626 20 30 EHEDHN Cc1ccc2nccc(N3CCN(Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000544858048 1015984025 /nfs/dbraw/zinc/98/40/25/1015984025.db2.gz PWRHROSILVGJPR-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000538153703 1032176550 /nfs/dbraw/zinc/17/65/50/1032176550.db2.gz WIPNBAQYKBXDBE-UXHICEINSA-N 0 3 329.488 3.808 20 30 EHEDHN N#CCc1ccc(CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000343756873 1032211736 /nfs/dbraw/zinc/21/17/36/1032211736.db2.gz FSAHTQYUIPXBLN-IBGZPJMESA-N 0 3 343.434 3.875 20 30 EHEDHN N#CCc1ccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000343756873 1032211750 /nfs/dbraw/zinc/21/17/50/1032211750.db2.gz FSAHTQYUIPXBLN-IBGZPJMESA-N 0 3 343.434 3.875 20 30 EHEDHN N#CCc1ccc(C[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000343756873 1032211767 /nfs/dbraw/zinc/21/17/67/1032211767.db2.gz FSAHTQYUIPXBLN-IBGZPJMESA-N 0 3 343.434 3.875 20 30 EHEDHN CCOc1cc(C[NH2+]CCc2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000459543581 1032262131 /nfs/dbraw/zinc/26/21/31/1032262131.db2.gz PEEGYDMKCGKNGQ-UHFFFAOYSA-N 0 3 330.815 3.648 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](CCC)c2cccc(Cl)c2)CC1 ZINC000528447188 1032289078 /nfs/dbraw/zinc/28/90/78/1032289078.db2.gz DXWOIGNQUGPPOX-GOSISDBHSA-N 0 3 334.891 3.990 20 30 EHEDHN C=CCCCC[C@@H](C)[NH2+][C@H](c1nc(-c2nc[n-]n2)no1)C(C)(C)C ZINC000449198549 1032321023 /nfs/dbraw/zinc/32/10/23/1032321023.db2.gz CEJXMIQGOHRRSV-CHWSQXEVSA-N 0 3 332.452 3.666 20 30 EHEDHN C=CCCCC[C@@H](C)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000449198549 1032321037 /nfs/dbraw/zinc/32/10/37/1032321037.db2.gz CEJXMIQGOHRRSV-CHWSQXEVSA-N 0 3 332.452 3.666 20 30 EHEDHN CC(C)(CC#N)CNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000459684307 1032414298 /nfs/dbraw/zinc/41/42/98/1032414298.db2.gz BZKIQXLZXJHTPH-INIZCTEOSA-N 0 3 336.863 3.927 20 30 EHEDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594444620 1033378039 /nfs/dbraw/zinc/37/80/39/1033378039.db2.gz ADIIBGLVFMMVJO-KBPBESRZSA-N 0 3 336.505 3.506 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000544894171 1017354285 /nfs/dbraw/zinc/35/42/85/1017354285.db2.gz SNTKJVGNGRFIAG-QYWGDWMGSA-N 0 3 341.499 3.659 20 30 EHEDHN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000544895471 1017373472 /nfs/dbraw/zinc/37/34/72/1017373472.db2.gz GMQCDYIDRPOPQT-SJORKVTESA-N 0 3 327.472 3.685 20 30 EHEDHN O[C@@]1(C(F)(F)F)CC[C@H](NCc2cc(C(F)(F)F)ccc2F)C1 ZINC000644420449 1017950068 /nfs/dbraw/zinc/95/00/68/1017950068.db2.gz FFOVVPNWAXEGPP-JQWIXIFHSA-N 0 3 345.258 3.780 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000594004990 1032757936 /nfs/dbraw/zinc/75/79/36/1032757936.db2.gz RULFQDOZHZERII-LZJOCLMNSA-N 0 3 349.478 3.544 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1Cl ZINC000449558571 1032801242 /nfs/dbraw/zinc/80/12/42/1032801242.db2.gz WSJLFFRZAJVCEF-IKGGRYGDSA-N 0 3 335.875 3.888 20 30 EHEDHN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000182339561 1019325926 /nfs/dbraw/zinc/32/59/26/1019325926.db2.gz JQWXIBOZQMFVJZ-CYBMUJFWSA-N 0 3 327.815 3.809 20 30 EHEDHN Cn1nc2c(c1CN1CCC(c3ccc(C#N)cc3)CC1)CCCC2 ZINC000897588455 1032856684 /nfs/dbraw/zinc/85/66/84/1032856684.db2.gz CIVYKQPGTUIOJE-UHFFFAOYSA-N 0 3 334.467 3.550 20 30 EHEDHN C(=NO[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000588384768 1019790267 /nfs/dbraw/zinc/79/02/67/1019790267.db2.gz BXKWVDOZJVCJEC-OAQYLSRUSA-N 0 3 336.435 3.951 20 30 EHEDHN C=CCc1cc(CN2CCC[C@H](OC3CCC3)C2)cc(OC)c1O ZINC000656272364 1019876170 /nfs/dbraw/zinc/87/61/70/1019876170.db2.gz UPMMHYQVQAQQKG-SFHVURJKSA-N 0 3 331.456 3.663 20 30 EHEDHN CN(CCc1ccc(C#N)cc1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001167468004 1021056719 /nfs/dbraw/zinc/05/67/19/1021056719.db2.gz OFKQZKVUOWJUFP-OAQYLSRUSA-N 0 3 348.425 3.695 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1OC1CCC1 ZINC000602545628 1032955484 /nfs/dbraw/zinc/95/54/84/1032955484.db2.gz HKRGUEXPRJTORG-INIZCTEOSA-N 0 3 328.456 3.806 20 30 EHEDHN CC[C@H](C)N(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000507717481 1021456270 /nfs/dbraw/zinc/45/62/70/1021456270.db2.gz ZBCPXCUSPSCVEY-SFHVURJKSA-N 0 3 341.499 3.972 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3CCC[C@H]32)ccc1Cl ZINC000426471266 1021658140 /nfs/dbraw/zinc/65/81/40/1021658140.db2.gz VZYVYDXQJCTKTR-CRAIPNDOSA-N 0 3 345.874 3.770 20 30 EHEDHN C=CCc1cc(CN2CC[C@@H](CC(F)(F)F)C2)cc(OC)c1O ZINC000516707706 1021674734 /nfs/dbraw/zinc/67/47/34/1021674734.db2.gz GISQRXTUCGEEHR-LBPRGKRZSA-N 0 3 329.362 3.904 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC000602577010 1032996993 /nfs/dbraw/zinc/99/69/93/1032996993.db2.gz FEEBNNIIGVNZCI-AWEZNQCLSA-N 0 3 334.489 3.931 20 30 EHEDHN CCCOc1ccc(CN(C)CCOCc2ccc(C#N)cc2)cc1 ZINC000519026673 1021778760 /nfs/dbraw/zinc/77/87/60/1021778760.db2.gz RDYGQVQSVYVVJG-UHFFFAOYSA-N 0 3 338.451 3.996 20 30 EHEDHN CCOc1ccc2c(c1)[C@H](N[C@H](C)CC1(C#N)CCOCC1)CCO2 ZINC000602616397 1033009558 /nfs/dbraw/zinc/00/95/58/1033009558.db2.gz NYCMIOPJJSWDDI-CRAIPNDOSA-N 0 3 344.455 3.597 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ncsc2-c2ccccc2)CC1 ZINC000437838329 1022199582 /nfs/dbraw/zinc/19/95/82/1022199582.db2.gz FZMFVPKOSSZTEK-UHFFFAOYSA-N 0 3 341.480 3.580 20 30 EHEDHN O=C1C=COC2(CCN(C[C@@H]3CCC[C@H](c4ccccc4)O3)CC2)C1 ZINC000933643654 1022533583 /nfs/dbraw/zinc/53/35/83/1022533583.db2.gz BQYMCPJIXJDRLE-VQTJNVASSA-N 0 3 341.451 3.635 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc(CSCC)c2)CC1 ZINC000438379080 1022606678 /nfs/dbraw/zinc/60/66/78/1022606678.db2.gz OKCNHPWOYCLCRQ-UHFFFAOYSA-N 0 3 333.501 3.712 20 30 EHEDHN COCCN(CCSCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000430731768 1022631848 /nfs/dbraw/zinc/63/18/48/1022631848.db2.gz XTVZDNVRJTXKAM-UHFFFAOYSA-N 0 3 340.492 3.940 20 30 EHEDHN CCN1CCC[C@H](NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)C1 ZINC000330926691 1022721462 /nfs/dbraw/zinc/72/14/62/1022721462.db2.gz XITIEYDUWOIMIY-AWEZNQCLSA-N 0 3 349.450 3.599 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000331191637 1022766423 /nfs/dbraw/zinc/76/64/23/1022766423.db2.gz XAWCKSDZSIESCA-UHFFFAOYSA-N 0 3 343.258 3.755 20 30 EHEDHN CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000426129403 1022965732 /nfs/dbraw/zinc/96/57/32/1022965732.db2.gz RIUJAOUSEZMBMR-KRWDZBQOSA-N 0 3 342.830 3.636 20 30 EHEDHN C[C@H](c1ccccc1)N(CC(=O)NC1(C#N)CCC1)C1CCCC1 ZINC000519595850 1023207421 /nfs/dbraw/zinc/20/74/21/1023207421.db2.gz JUWGMNPKHHCZEY-MRXNPFEDSA-N 0 3 325.456 3.555 20 30 EHEDHN C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]2CCCC[C@@H]21 ZINC000248414738 1023260600 /nfs/dbraw/zinc/26/06/00/1023260600.db2.gz HHFDMEJFHVARLV-SRCQZFHVSA-N 0 3 331.847 3.661 20 30 EHEDHN Cc1cccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)c(F)c2)c1C ZINC000449736941 1033134843 /nfs/dbraw/zinc/13/48/43/1033134843.db2.gz PFNKKJLWFFSRHC-CQSZACIVSA-N 0 3 339.414 3.821 20 30 EHEDHN CN(C)c1nc2cc(NC(=O)[C@@H]3CCCN3C3CCCC3)ccc2[nH]1 ZINC000329811643 1024205775 /nfs/dbraw/zinc/20/57/75/1024205775.db2.gz BXOMTTMDAOMFOX-KRWDZBQOSA-N 0 3 341.459 3.624 20 30 EHEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC000329825836 1024213988 /nfs/dbraw/zinc/21/39/88/1024213988.db2.gz CBAKUHCZNCHPLC-VXTDNTOSSA-N 0 3 349.519 3.987 20 30 EHEDHN C=CCC[C@H](NCC(=O)N(C)CC)c1ccc(C(F)(F)F)cc1 ZINC000342195556 1024368938 /nfs/dbraw/zinc/36/89/38/1024368938.db2.gz BWSYEPDURNKDAL-HNNXBMFYSA-N 0 3 328.378 3.781 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(C#N)c(F)c1 ZINC000346150499 1024451680 /nfs/dbraw/zinc/45/16/80/1024451680.db2.gz YJTCCIVCACRTRS-NWDGAFQWSA-N 0 3 326.375 3.600 20 30 EHEDHN C[C@@H](NCc1ccccc1-c1cnn(C)c1)c1ccc(C#N)c(F)c1 ZINC000346159756 1024474650 /nfs/dbraw/zinc/47/46/50/1024474650.db2.gz IBUXVUYBHKSNRV-CQSZACIVSA-N 0 3 334.398 3.949 20 30 EHEDHN Cc1cc(C)cc([C@H](C)N[C@@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000434880563 1024478767 /nfs/dbraw/zinc/47/87/67/1024478767.db2.gz PCTUGJMJPRLAMP-WMLDXEAASA-N 0 3 339.464 3.693 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434901473 1024493571 /nfs/dbraw/zinc/49/35/71/1024493571.db2.gz WDVLYWKAOCFZBP-JXXFODFXSA-N 0 3 333.435 3.763 20 30 EHEDHN CN(C)[C@@H](CNc1cnccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000346210977 1024502533 /nfs/dbraw/zinc/50/25/33/1024502533.db2.gz GRVKDNSPXGQGEA-INIZCTEOSA-N 0 3 334.345 3.687 20 30 EHEDHN CN(C)[C@H](CNc1cnccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000346210991 1024502812 /nfs/dbraw/zinc/50/28/12/1024502812.db2.gz GRVKDNSPXGQGEA-MRXNPFEDSA-N 0 3 334.345 3.687 20 30 EHEDHN COc1ccc([C@@H](CNc2ncccc2C#N)N2CCCCC2)cc1 ZINC000024107152 1024595640 /nfs/dbraw/zinc/59/56/40/1024595640.db2.gz ZOTSAUSMGOLWJV-LJQANCHMSA-N 0 3 336.439 3.601 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000895835191 1024899928 /nfs/dbraw/zinc/89/99/28/1024899928.db2.gz BLOGNFDUYRQXMH-UHFFFAOYSA-N 0 3 342.395 3.758 20 30 EHEDHN C=CCC[C@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000435765303 1025127651 /nfs/dbraw/zinc/12/76/51/1025127651.db2.gz SLOOQHKCXDCRFB-OALUTQOASA-N 0 3 327.472 3.572 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc3oc(C(C)C)nc3c2)CC1 ZINC000522781524 1025286734 /nfs/dbraw/zinc/28/67/34/1025286734.db2.gz FXIKXHHIRGRYDM-UHFFFAOYSA-N 0 3 342.443 3.723 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(-c2ccc(OC)cc2)n1 ZINC000684767399 1025382642 /nfs/dbraw/zinc/38/26/42/1025382642.db2.gz ICWGOLIRGFPXIP-YJBOKZPZSA-N 0 3 344.480 3.890 20 30 EHEDHN Cc1cc(C)cc(OC[C@@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425533347 1025662072 /nfs/dbraw/zinc/66/20/72/1025662072.db2.gz DMMGPUUZQWVWPV-XLIONFOSSA-N 0 3 338.451 3.608 20 30 EHEDHN CCN1CCCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000091174695 1025679302 /nfs/dbraw/zinc/67/93/02/1025679302.db2.gz HGVCRHZLAMUPSO-HNNXBMFYSA-N 0 3 346.500 3.640 20 30 EHEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522834061 1025738960 /nfs/dbraw/zinc/73/89/60/1025738960.db2.gz DPBVSQVRHKDWTG-OAQYLSRUSA-N 0 3 349.478 3.508 20 30 EHEDHN COc1ccc2nc(C)cc(C(=O)N[C@H](C)C3=CCN(C)CC3)c2c1 ZINC000329311278 1025745427 /nfs/dbraw/zinc/74/54/27/1025745427.db2.gz GEFGKFQGOCIGKV-CQSZACIVSA-N 0 3 339.439 3.507 20 30 EHEDHN C[C@@H]1C[C@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC(=O)N1 ZINC000329310047 1025745847 /nfs/dbraw/zinc/74/58/47/1025745847.db2.gz FRGMDWMWVSIRJL-PVAVHDDUSA-N 0 3 329.444 3.535 20 30 EHEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3cncc4ccccc43)C2)nc1 ZINC000896654456 1025812995 /nfs/dbraw/zinc/81/29/95/1025812995.db2.gz LLMSHOUTUVAKGQ-IBGZPJMESA-N 0 3 343.434 3.578 20 30 EHEDHN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC(=O)N1 ZINC000329401130 1025813495 /nfs/dbraw/zinc/81/34/95/1025813495.db2.gz BHASSICVVSXSIC-LHHMISFZSA-N 0 3 329.444 3.533 20 30 EHEDHN CC1(C)[C@H](NCc2ccc(Br)cc2C#N)[C@H]2CCCO[C@@H]21 ZINC000451483235 1026026314 /nfs/dbraw/zinc/02/63/14/1026026314.db2.gz XOLIZBVFIRAFTL-OAGGEKHMSA-N 0 3 349.272 3.614 20 30 EHEDHN C[C@H]1CN(Cc2cc(C#N)cs2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000896986852 1026208331 /nfs/dbraw/zinc/20/83/31/1026208331.db2.gz MNOBYYDBMSMYHB-DZGCQCFKSA-N 0 3 349.500 3.602 20 30 EHEDHN CN(CCC#N)C(=O)CCN1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000451733167 1026238801 /nfs/dbraw/zinc/23/88/01/1026238801.db2.gz HYRNMINJUBIFPN-KRWDZBQOSA-N 0 3 333.863 3.629 20 30 EHEDHN COc1cc(CN2CCC3(CC2)OCc2ccccc23)ccc1C#N ZINC000221111354 1026629029 /nfs/dbraw/zinc/62/90/29/1026629029.db2.gz JZSSRSGEGFXKCC-UHFFFAOYSA-N 0 3 334.419 3.588 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000135585086 1027083533 /nfs/dbraw/zinc/08/35/33/1027083533.db2.gz CJUAEXMQYXCWDB-APWZRJJASA-N 0 3 348.450 3.651 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000419840006 1027211442 /nfs/dbraw/zinc/21/14/42/1027211442.db2.gz QXHCHNOXEVZTKL-CYBMUJFWSA-N 0 3 329.425 3.695 20 30 EHEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000419840965 1027211888 /nfs/dbraw/zinc/21/18/88/1027211888.db2.gz SRIYCFCKFARTBK-CQSZACIVSA-N 0 3 341.436 3.889 20 30 EHEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000419840961 1027212628 /nfs/dbraw/zinc/21/26/28/1027212628.db2.gz SRIYCFCKFARTBK-AWEZNQCLSA-N 0 3 341.436 3.889 20 30 EHEDHN C=CCN1CC[C@@H](N(C)C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1=O ZINC000501874970 1027622054 /nfs/dbraw/zinc/62/20/54/1027622054.db2.gz SOUSHULIBMWEOD-CZUORRHYSA-N 0 3 340.389 3.528 20 30 EHEDHN N#Cc1ccc(NC(=O)CCN[C@H](CC(F)F)c2ccccc2)cc1 ZINC000420994661 1027972918 /nfs/dbraw/zinc/97/29/18/1027972918.db2.gz NHAWSYCCWDHDNZ-QGZVFWFLSA-N 0 3 343.377 3.873 20 30 EHEDHN C[C@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)NC1(C#N)CCCCC1 ZINC000533505463 1027983426 /nfs/dbraw/zinc/98/34/26/1027983426.db2.gz KKTSDMOCBUQTSO-LPHOPBHVSA-N 0 3 339.483 3.849 20 30 EHEDHN C[C@H]1COCCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444656621 1028120341 /nfs/dbraw/zinc/12/03/41/1028120341.db2.gz HBGZAUKDCHVEIV-LJQANCHMSA-N 0 3 334.463 3.855 20 30 EHEDHN C=CC[C@H]1N(CC(=O)NCc2ccccc2COC)CCCC1(C)C ZINC000444780318 1028242504 /nfs/dbraw/zinc/24/25/04/1028242504.db2.gz DRVLOPXUPMDESS-LJQANCHMSA-N 0 3 344.499 3.516 20 30 EHEDHN C=CC[C@H]1N(CC(=O)N[C@H]2CCOc3ccccc32)CCCC1(C)C ZINC000444788836 1028287859 /nfs/dbraw/zinc/28/78/59/1028287859.db2.gz YCZZEJVCKRVZDM-PKOBYXMFSA-N 0 3 342.483 3.693 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000535918506 1028674965 /nfs/dbraw/zinc/67/49/65/1028674965.db2.gz LZZZLBQIZFROGI-IBGZPJMESA-N 0 3 341.499 3.665 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccco1 ZINC000246791084 1028690877 /nfs/dbraw/zinc/69/08/77/1028690877.db2.gz AJMZXCVSCDOPBZ-MSOLQXFVSA-N 0 3 327.424 3.585 20 30 EHEDHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000421705872 1028700857 /nfs/dbraw/zinc/70/08/57/1028700857.db2.gz SOGXNMILRLRRNV-SFHVURJKSA-N 0 3 349.434 3.517 20 30 EHEDHN CC(C)Cc1ccc([C@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1 ZINC000424064427 1028783187 /nfs/dbraw/zinc/78/31/87/1028783187.db2.gz KBDLZNYMLMVHJU-RTBURBONSA-N 0 3 329.488 3.720 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000424098158 1028801297 /nfs/dbraw/zinc/80/12/97/1028801297.db2.gz CFEYLQFHTYGJKD-OAHLLOKOSA-N 0 3 335.835 3.621 20 30 EHEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000424109968 1028805305 /nfs/dbraw/zinc/80/53/05/1028805305.db2.gz BOYNCYJWFBNYKC-SFHVURJKSA-N 0 3 329.444 3.605 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](c2ccccc2)CC1 ZINC000524071137 1028811951 /nfs/dbraw/zinc/81/19/51/1028811951.db2.gz MFIGKGHBCZQBHO-SLYNCCJLSA-N 0 3 341.499 3.699 20 30 EHEDHN Cc1c2ccccc2oc1[C@H](NC(=O)[C@H](N)CCCC#N)C(C)C ZINC000424143405 1028832581 /nfs/dbraw/zinc/83/25/81/1028832581.db2.gz RBBHIUBUIAWQQJ-NVXWUHKLSA-N 0 3 327.428 3.576 20 30 EHEDHN CC(C)(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424134198 1028850295 /nfs/dbraw/zinc/85/02/95/1028850295.db2.gz YBPKJAFMXUNPQB-HOTGVXAUSA-N 0 3 335.879 3.955 20 30 EHEDHN C[C@H](NCCCC#N)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271769447 1029163205 /nfs/dbraw/zinc/16/32/05/1029163205.db2.gz NOISRWZZLJVESP-HNNXBMFYSA-N 0 3 339.414 3.961 20 30 EHEDHN COc1ccc(CN(C)CCCOc2ccc(F)cc2)cc1C#N ZINC000533079840 1029285155 /nfs/dbraw/zinc/28/51/55/1029285155.db2.gz XKKDKZBLKNHVGZ-UHFFFAOYSA-N 0 3 328.387 3.607 20 30 EHEDHN C=CCN(CCc1ccco1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000272486090 1029812851 /nfs/dbraw/zinc/81/28/51/1029812851.db2.gz VOBKAURAPGFRJR-UHFFFAOYSA-N 0 3 327.428 3.604 20 30 EHEDHN C=C[C@](C)(CC)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000467518072 1029877988 /nfs/dbraw/zinc/87/79/88/1029877988.db2.gz JASXOGFNKPKGPQ-UYAOXDASSA-N 0 3 332.488 3.797 20 30 EHEDHN C#Cc1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000934935832 1029915782 /nfs/dbraw/zinc/91/57/82/1029915782.db2.gz UHYTVNXWSJKGIT-UHFFFAOYSA-N 0 3 347.462 3.796 20 30 EHEDHN CC[C@H](C)N[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccco1 ZINC000343256453 1029948154 /nfs/dbraw/zinc/94/81/54/1029948154.db2.gz WKTYEWZZZAZCQX-WFASDCNBSA-N 0 3 328.372 3.601 20 30 EHEDHN CC[C@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447546102 1030279810 /nfs/dbraw/zinc/27/98/10/1030279810.db2.gz YYSBQDGPPWFPKW-VQTJNVASSA-N 0 3 335.451 3.819 20 30 EHEDHN CC[C@H](NCc1ccc(OC)c(NC(C)=O)c1)c1ccc(C#N)cc1 ZINC000447564677 1030309202 /nfs/dbraw/zinc/30/92/02/1030309202.db2.gz YQDCPFMDZBKZQV-SFHVURJKSA-N 0 3 337.423 3.766 20 30 EHEDHN CC(=O)Nc1cccc([C@H](C)NC2CC(C#N)(c3ccccc3)C2)c1 ZINC000158452448 1030371964 /nfs/dbraw/zinc/37/19/64/1030371964.db2.gz XLYPECLXEKPUFY-VUZGARFFSA-N 0 3 333.435 3.920 20 30 EHEDHN C=CCN1CCC(Nc2c(C#N)cnc3ccc(C(C)C)cc32)CC1 ZINC000447694607 1030428406 /nfs/dbraw/zinc/42/84/06/1030428406.db2.gz SGSJFGRJBBXWPA-UHFFFAOYSA-N 0 3 334.467 3.714 20 30 EHEDHN C[C@H](O)C[C@@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000447841501 1030531231 /nfs/dbraw/zinc/53/12/31/1030531231.db2.gz YAQLJEFNEDAXIL-HOCLYGCPSA-N 0 3 341.373 3.562 20 30 EHEDHN CC[C@H](C)CN(CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000482872927 1030772663 /nfs/dbraw/zinc/77/26/63/1030772663.db2.gz ZQXLNQRIFBAKQO-INIZCTEOSA-N 0 3 329.488 3.918 20 30 EHEDHN COc1ccc(CCC2CCN(Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000483150082 1031003561 /nfs/dbraw/zinc/00/35/61/1031003561.db2.gz FLLCYJWTCCMWIT-UHFFFAOYSA-N 0 3 337.467 3.750 20 30 EHEDHN C=CCOc1ccccc1CNC[C@@H](OC)c1cccc(OC)c1 ZINC000527735990 1031187795 /nfs/dbraw/zinc/18/77/95/1031187795.db2.gz AJOXOSNGGSSYGS-HXUWFJFHSA-N 0 3 327.424 3.737 20 30 EHEDHN CC(C)Cc1ccc([C@H](N[C@@H](C)C(=O)N(C)CCC#N)C2CC2)cc1 ZINC000343589225 1031515761 /nfs/dbraw/zinc/51/57/61/1031515761.db2.gz UVSTVCPEYAKNHG-JXFKEZNVSA-N 0 3 341.499 3.686 20 30 EHEDHN CN(C)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528011637 1031592051 /nfs/dbraw/zinc/59/20/51/1031592051.db2.gz PXCZRGNGCTUOJC-KFNAQCHYSA-N 0 3 326.271 3.878 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN1Cc2ccccc2C[C@H]1C ZINC000607755136 1033302508 /nfs/dbraw/zinc/30/25/08/1033302508.db2.gz IEGQSFZPGVPOFM-UTKZUKDTSA-N 0 3 337.463 3.602 20 30 EHEDHN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594429152 1033365247 /nfs/dbraw/zinc/36/52/47/1033365247.db2.gz RDPGTNIBHCRCSY-IUODEOHRSA-N 0 3 341.377 3.636 20 30 EHEDHN CCN(C(=O)[C@@H](N)CCCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000594431278 1033368079 /nfs/dbraw/zinc/36/80/79/1033368079.db2.gz KTUOFMRBRXDTEQ-ZBFHGGJFSA-N 0 3 327.428 3.754 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000594431952 1033368354 /nfs/dbraw/zinc/36/83/54/1033368354.db2.gz TVSCBIOKEFAAFR-GOSISDBHSA-N 0 3 345.462 3.555 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000594433884 1033371176 /nfs/dbraw/zinc/37/11/76/1033371176.db2.gz IPVLWGKXRBVPRA-KRWDZBQOSA-N 0 3 345.512 3.619 20 30 EHEDHN CN(C(=O)[C@H](N)CCCCC#N)C1c2ccccc2-c2ccccc21 ZINC000594436368 1033375024 /nfs/dbraw/zinc/37/50/24/1033375024.db2.gz HHMNSAPHNFUPBD-LJQANCHMSA-N 0 3 333.435 3.626 20 30 EHEDHN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594437805 1033376297 /nfs/dbraw/zinc/37/62/97/1033376297.db2.gz FQQVWUMXXKSFJJ-SJLPKXTDSA-N 0 3 342.487 3.724 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000594442450 1033376447 /nfs/dbraw/zinc/37/64/47/1033376447.db2.gz GJEANERSNSDSDQ-WOJBJXKFSA-N 0 3 341.499 3.802 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000594446844 1033379008 /nfs/dbraw/zinc/37/90/08/1033379008.db2.gz XWMIVMXOTWAINP-ZDUSSCGKSA-N 0 3 340.254 3.510 20 30 EHEDHN CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594452708 1033381296 /nfs/dbraw/zinc/38/12/96/1033381296.db2.gz HUBYAKKBRQEGFR-RTBURBONSA-N 0 3 327.472 3.885 20 30 EHEDHN CC(C)CCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC000594457662 1033381464 /nfs/dbraw/zinc/38/14/64/1033381464.db2.gz CQVOENHTDZSERU-INIZCTEOSA-N 0 3 335.423 3.600 20 30 EHEDHN C[S@](=O)c1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594499015 1033399902 /nfs/dbraw/zinc/39/99/02/1033399902.db2.gz ZFDHLEZJUMHGDB-QHCPKHFHSA-N 0 3 326.465 3.515 20 30 EHEDHN CN(C)C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1 ZINC000594958693 1033598454 /nfs/dbraw/zinc/59/84/54/1033598454.db2.gz VAKVNZROZPBUNN-HXUWFJFHSA-N 0 3 337.442 3.773 20 30 EHEDHN C=CCC1(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)CCCCC1 ZINC000450122950 1033781289 /nfs/dbraw/zinc/78/12/89/1033781289.db2.gz TWEPAPTVGLUPSF-ROUUACIJSA-N 0 3 336.520 3.519 20 30 EHEDHN C=CCSCCN[C@H](C)c1ccccc1I ZINC000381465237 1033788692 /nfs/dbraw/zinc/78/86/92/1033788692.db2.gz MJBXZACSBINIIZ-LLVKDONJSA-N 0 3 347.265 3.861 20 30 EHEDHN N#CC(C(=O)C[C@@H]1CCc2sccc2C1=O)c1nc2ccccc2[nH]1 ZINC000892420909 1033821544 /nfs/dbraw/zinc/82/15/44/1033821544.db2.gz ZXWWPBXSZMHVLJ-WCQYABFASA-N 0 3 349.415 3.636 20 30 EHEDHN CCCCCCCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000174503297 1033971675 /nfs/dbraw/zinc/97/16/75/1033971675.db2.gz QCCRQBMJRWSKNH-UHFFFAOYSA-N 0 3 346.515 3.620 20 30 EHEDHN C=CC[C@@H]1CCN(Cc2coc(-c3ccc(C(=O)OC)cc3)n2)C1 ZINC000599528750 1033989960 /nfs/dbraw/zinc/98/99/60/1033989960.db2.gz GTGALYPRUXTBJP-CQSZACIVSA-N 0 3 326.396 3.526 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000595845923 1034007782 /nfs/dbraw/zinc/00/77/82/1034007782.db2.gz WUGBDEYJXYDEIV-HDICACEKSA-N 0 3 338.407 3.811 20 30 EHEDHN CC[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1cc(C)ccc1C ZINC000599640196 1034065761 /nfs/dbraw/zinc/06/57/61/1034065761.db2.gz GZBRNLAXGLUGLB-FQEVSTJZSA-N 0 3 335.451 3.532 20 30 EHEDHN Cc1csc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1C#N ZINC000593159783 1034144611 /nfs/dbraw/zinc/14/46/11/1034144611.db2.gz QZQVWKYEDSPQAU-ONGXEEELSA-N 0 3 332.347 3.614 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(Cn3cccn3)cc2)cc1 ZINC000171562905 1034462879 /nfs/dbraw/zinc/46/28/79/1034462879.db2.gz GXLVPYBLLYXDMR-QGZVFWFLSA-N 0 3 346.434 3.512 20 30 EHEDHN COC(=O)c1ccc(CN(C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000596985501 1034481389 /nfs/dbraw/zinc/48/13/89/1034481389.db2.gz NOGHGYJLNMOCDP-UHFFFAOYSA-N 0 3 334.419 3.660 20 30 EHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000926632763 1034529739 /nfs/dbraw/zinc/52/97/39/1034529739.db2.gz FOJVSZGHVMJRON-WFASDCNBSA-N 0 3 344.377 3.927 20 30 EHEDHN C=CCOc1ccc(CNC2(C(=O)N(CC)CC)CCCCC2)cc1 ZINC000605813642 1034828970 /nfs/dbraw/zinc/82/89/70/1034828970.db2.gz JWXLGVHLVKDJHP-UHFFFAOYSA-N 0 3 344.499 3.912 20 30 EHEDHN Cn1cc(CNCc2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180028874 1035223102 /nfs/dbraw/zinc/22/31/02/1035223102.db2.gz XPPFIRVOXGTULF-UHFFFAOYSA-N 0 3 336.826 3.902 20 30 EHEDHN N#CC(C(=O)CCc1ccc(F)cc1F)c1nc2ccccc2[nH]1 ZINC000152019963 1035548710 /nfs/dbraw/zinc/54/87/10/1035548710.db2.gz FMERRFHBFPFBBE-CYBMUJFWSA-N 0 3 325.318 3.650 20 30 EHEDHN C[C@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1cccc(C#N)c1 ZINC000276250849 1035864767 /nfs/dbraw/zinc/86/47/67/1035864767.db2.gz WEZCELCCJIMLDS-KXBFYZLASA-N 0 3 325.456 3.533 20 30 EHEDHN N#CC(C(=O)c1ccc(OC(F)F)cc1)c1cnc2ccccc2n1 ZINC000190956927 1036311088 /nfs/dbraw/zinc/31/10/88/1036311088.db2.gz JESBIMADPACVNI-CYBMUJFWSA-N 0 3 339.301 3.721 20 30 EHEDHN CC(C)C[C@H](NCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000541626872 1036515924 /nfs/dbraw/zinc/51/59/24/1036515924.db2.gz FXXPAQDVWAJLAL-ZDUSSCGKSA-N 0 3 333.482 3.997 20 30 EHEDHN COc1ccc(CN[C@H](C)c2cccc(-n3ccnc3)c2)cc1C#N ZINC000174650876 1036707730 /nfs/dbraw/zinc/70/77/30/1036707730.db2.gz AJQOMZGATAWXCO-OAHLLOKOSA-N 0 3 332.407 3.603 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCC2(C1)CCCCCC2 ZINC000464769767 1036732187 /nfs/dbraw/zinc/73/21/87/1036732187.db2.gz JUARPGSKJALHKM-IEBWSBKVSA-N 0 3 333.520 3.866 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H](CNCc1ccc(C#N)cc1F)C1CCC1 ZINC000596061597 1037120029 /nfs/dbraw/zinc/12/00/29/1037120029.db2.gz BLFWSVJSVSTIAP-INIZCTEOSA-N 0 3 332.419 3.545 20 30 EHEDHN C#C[C@@H](NC(=O)c1ccccc1CN(C)C)c1ccc(Cl)cc1 ZINC000491360242 1037420407 /nfs/dbraw/zinc/42/04/07/1037420407.db2.gz DRFUXKPMQZVBTB-GOSISDBHSA-N 0 3 326.827 3.506 20 30 EHEDHN N#Cc1cccc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000171101708 1037453163 /nfs/dbraw/zinc/45/31/63/1037453163.db2.gz XCJITLIMRADVKR-UHFFFAOYSA-N 0 3 337.398 3.548 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000491452081 1037478909 /nfs/dbraw/zinc/47/89/09/1037478909.db2.gz IERJCLUTWYZPFK-RDJZCZTQSA-N 0 3 343.471 3.856 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000491582020 1037560583 /nfs/dbraw/zinc/56/05/83/1037560583.db2.gz SLYDVIZIMKJGKQ-MOPGFXCFSA-N 0 3 327.472 3.574 20 30 EHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000532578266 1037688097 /nfs/dbraw/zinc/68/80/97/1037688097.db2.gz NBEULFJVHNCSOW-LBPRGKRZSA-N 0 3 325.250 3.674 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C(C)(C)C)cc2)CC1 ZINC000592296469 1037913115 /nfs/dbraw/zinc/91/31/15/1037913115.db2.gz MBVCLOVCEGYSLI-UHFFFAOYSA-N 0 3 343.515 3.824 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2cccs2)C2CC2)CC1 ZINC000592343860 1037929073 /nfs/dbraw/zinc/92/90/73/1037929073.db2.gz JRGWGBGXPSBYHP-QGZVFWFLSA-N 0 3 333.501 3.539 20 30 EHEDHN C[C@H]1CC2(CN1Cc1cc(C#N)ccc1Br)CCOCC2 ZINC000592184688 1037932166 /nfs/dbraw/zinc/93/21/66/1037932166.db2.gz SJSBJYUMJLXIHJ-ZDUSSCGKSA-N 0 3 349.272 3.712 20 30 EHEDHN CC(C)N(C(=O)c1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592695035 1038100415 /nfs/dbraw/zinc/10/04/15/1038100415.db2.gz SOARVYKIVFEVOY-NRFANRHFSA-N 0 3 347.462 3.683 20 30 EHEDHN C[C@H]1C[C@H](NC(=O)Nc2cccc(CC#N)c2)CN1Cc1ccccc1 ZINC000455919671 1038713227 /nfs/dbraw/zinc/71/32/27/1038713227.db2.gz MLGMTQBPQYEIJT-JXFKEZNVSA-N 0 3 348.450 3.537 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1cccs1 ZINC000539278016 1038752992 /nfs/dbraw/zinc/75/29/92/1038752992.db2.gz ZTVYOHVCACACHY-KBXCAEBGSA-N 0 3 335.517 3.823 20 30 EHEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1CC(F)(F)C1 ZINC000753801533 1038844128 /nfs/dbraw/zinc/84/41/28/1038844128.db2.gz KAWFPAOHOGRUJX-NSHDSACASA-N 0 3 347.148 3.686 20 30 EHEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1nc2ccccc2[nH]1 ZINC000246627045 1038986210 /nfs/dbraw/zinc/98/62/10/1038986210.db2.gz UHMIBCKMQVOYBY-YNEHKIRRSA-N 0 3 337.329 3.821 20 30 EHEDHN CN(C)Cc1cccc(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416755982 1038987306 /nfs/dbraw/zinc/98/73/06/1038987306.db2.gz IMARXSJSSQRHBR-FQEVSTJZSA-N 0 3 348.450 3.819 20 30 EHEDHN C=CCn1cccc1C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000488501832 1039227803 /nfs/dbraw/zinc/22/78/03/1039227803.db2.gz RFUYZZDJAHAEQR-QGZVFWFLSA-N 0 3 331.485 3.549 20 30 EHEDHN N#Cc1cccc(OCCN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000051430019 1039247232 /nfs/dbraw/zinc/24/72/32/1039247232.db2.gz JJKHOTNFKRCPGR-SFHVURJKSA-N 0 3 342.464 3.680 20 30 EHEDHN N#Cc1cccc(OCCN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000051430021 1039247567 /nfs/dbraw/zinc/24/75/67/1039247567.db2.gz JJKHOTNFKRCPGR-GOSISDBHSA-N 0 3 342.464 3.680 20 30 EHEDHN C=CCCC1(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000554638891 1039547326 /nfs/dbraw/zinc/54/73/26/1039547326.db2.gz DYKJEYAGUCSPMX-IBGZPJMESA-N 0 3 344.499 3.939 20 30 EHEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cc(C)c(F)c(F)c1)CC2 ZINC001143604842 1039955615 /nfs/dbraw/zinc/95/56/15/1039955615.db2.gz FGSZVUKUFOFXDA-HXUWFJFHSA-N 0 3 348.437 3.806 20 30 EHEDHN Cc1ccc(CNC(Nc2ccccc2)=[NH+]Cc2ncccc2[O-])cc1 ZINC000479230048 1040066049 /nfs/dbraw/zinc/06/60/49/1040066049.db2.gz VTTLISWVZPSZFB-UHFFFAOYSA-N 0 3 346.434 3.854 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)Cc1sccc1C ZINC000490249513 1040430905 /nfs/dbraw/zinc/43/09/05/1040430905.db2.gz PWBLALRCPAIMQL-QGZVFWFLSA-N 0 3 331.481 3.657 20 30 EHEDHN COc1ccccc1O[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512669065 1040469898 /nfs/dbraw/zinc/46/98/98/1040469898.db2.gz YOHXDFYGPLNFKU-KGLIPLIRSA-N 0 3 328.387 3.824 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000433020895 1040475860 /nfs/dbraw/zinc/47/58/60/1040475860.db2.gz VCTJFTOAEFIIQP-QGZVFWFLSA-N 0 3 343.377 3.928 20 30 EHEDHN CC[C@H]1CCCCN1C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433030656 1040507105 /nfs/dbraw/zinc/50/71/05/1040507105.db2.gz KUZIJXOVEBMOEA-OALUTQOASA-N 0 3 327.472 3.802 20 30 EHEDHN C=CCOc1ccc(CN2CCC(OC3CCC3)CC2)cc1OC ZINC000418089237 1040562096 /nfs/dbraw/zinc/56/20/96/1040562096.db2.gz BTSHMQIESIRHBQ-UHFFFAOYSA-N 0 3 331.456 3.794 20 30 EHEDHN N#Cc1ccccc1CN1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235850 1040792815 /nfs/dbraw/zinc/79/28/15/1040792815.db2.gz KUKORXJRHMYZNQ-QGZVFWFLSA-N 0 3 330.435 3.820 20 30 EHEDHN C#CCN(C(=S)Nc1ccc(CCCC)cc1)C1CCN(C)CC1 ZINC000899613701 1040876314 /nfs/dbraw/zinc/87/63/14/1040876314.db2.gz KZUUCZZADOZCER-UHFFFAOYSA-N 0 3 343.540 3.755 20 30 EHEDHN C=C(C)CNC(=S)N(CCC)C1CCN(Cc2ccccc2)CC1 ZINC000899659095 1040946390 /nfs/dbraw/zinc/94/63/90/1040946390.db2.gz BLBLJHWLYTUJML-UHFFFAOYSA-N 0 3 345.556 3.814 20 30 EHEDHN CC(=O)NCCc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000092740964 1040972524 /nfs/dbraw/zinc/97/25/24/1040972524.db2.gz BPHODXRQASHACL-JKSUJKDBSA-N 0 3 335.451 3.649 20 30 EHEDHN Cc1csc(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1C#N ZINC000571364152 1041294690 /nfs/dbraw/zinc/29/46/90/1041294690.db2.gz SWJYAGFABKPDQO-MRXNPFEDSA-N 0 3 342.468 3.661 20 30 EHEDHN CC[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000343915611 1042820283 /nfs/dbraw/zinc/82/02/83/1042820283.db2.gz XAEUCHNNHWBBKV-ROUUACIJSA-N 0 3 327.472 3.834 20 30 EHEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(Br)cc1F ZINC000051766979 1042902175 /nfs/dbraw/zinc/90/21/75/1042902175.db2.gz IZCBUCNVQDJRFA-UHFFFAOYSA-N 0 3 341.224 3.591 20 30 EHEDHN COc1ccc([C@H](CN(C)C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000585765648 1043029374 /nfs/dbraw/zinc/02/93/74/1043029374.db2.gz JEKOXNDHZMWJNL-VXKWHMMOSA-N 0 3 349.478 3.837 20 30 EHEDHN N#CCCCNCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000344328118 1043656710 /nfs/dbraw/zinc/65/67/10/1043656710.db2.gz QHIZXHNIACLAAX-UHFFFAOYSA-N 0 3 327.815 3.986 20 30 EHEDHN Cn1cc([C@H](NCc2cccc(OCCCC#N)c2)C(C)(C)C)cn1 ZINC000344810542 1044455400 /nfs/dbraw/zinc/45/54/00/1044455400.db2.gz HISAOQQNIKSAFF-IBGZPJMESA-N 0 3 340.471 3.980 20 30 EHEDHN C=CCN1C(=O)c2ccccc2N[C@]12CCN(C)[C@@H](c1ccccc1)C2 ZINC000414186021 1125595665 /nfs/dbraw/zinc/59/56/65/1125595665.db2.gz OWURMJXSHCTJAH-IFMALSPDSA-N 0 3 347.462 3.904 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000179786905 1127090361 /nfs/dbraw/zinc/09/03/61/1127090361.db2.gz ALYMAAPBPHPCKC-UXHICEINSA-N 0 3 327.472 3.562 20 30 EHEDHN N#CCCN(C(=O)CN[C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000194551464 1127462236 /nfs/dbraw/zinc/46/22/36/1127462236.db2.gz FWPZDTGFQRUMJP-OAQYLSRUSA-N 0 3 333.435 3.674 20 30 EHEDHN CO[C@H](CN1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000338539045 1127788522 /nfs/dbraw/zinc/78/85/22/1127788522.db2.gz CUPLROMEFJUHGQ-OAQYLSRUSA-N 0 3 336.435 3.789 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC000172227552 1127829402 /nfs/dbraw/zinc/82/94/02/1127829402.db2.gz RDJKKBQTYIQMRD-UHFFFAOYSA-N 0 3 343.471 3.637 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000172384060 1127931248 /nfs/dbraw/zinc/93/12/48/1127931248.db2.gz OKDFVVLTSJRSOW-MSOLQXFVSA-N 0 3 341.499 3.533 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1snc(Cl)c1C#N ZINC000301504420 1128594090 /nfs/dbraw/zinc/59/40/90/1128594090.db2.gz CEGDDWKAHXNDQA-DOMZBBRYSA-N 0 3 346.887 3.991 20 30 EHEDHN N#Cc1ccc2nc(NC[C@H](c3ccco3)N3CCCC3)ccc2c1 ZINC000301796554 1128605884 /nfs/dbraw/zinc/60/58/84/1128605884.db2.gz AIBSREAJONTIPN-GOSISDBHSA-N 0 3 332.407 3.948 20 30 EHEDHN N#Cc1cccc(C#N)c1Nc1cccc(CN2CCSCC2)c1 ZINC000302885612 1128653513 /nfs/dbraw/zinc/65/35/13/1128653513.db2.gz MNKQUWMZJQTNAW-UHFFFAOYSA-N 0 3 334.448 3.722 20 30 EHEDHN N#Cc1cccc(C#N)c1NCC1(N2CCSCC2)CCCCC1 ZINC000302900490 1128654423 /nfs/dbraw/zinc/65/44/23/1128654423.db2.gz SQOKJBUFCGLJQF-UHFFFAOYSA-N 0 3 340.496 3.594 20 30 EHEDHN CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000072733314 1128734782 /nfs/dbraw/zinc/73/47/82/1128734782.db2.gz JTTRZUXKRINFQA-FQEVSTJZSA-N 0 3 348.450 3.687 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2)N2CCCC2)cc1 ZINC000060971898 1128759943 /nfs/dbraw/zinc/75/99/43/1128759943.db2.gz VNZTZSYCQQUQIM-FQEVSTJZSA-N 0 3 348.450 3.825 20 30 EHEDHN N#Cc1nc(N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1Cl ZINC000111217900 1128852151 /nfs/dbraw/zinc/85/21/51/1128852151.db2.gz NHHRGIGNPVCFAM-OAHLLOKOSA-N 0 3 326.831 3.683 20 30 EHEDHN Cc1ccc(NC(=O)[C@@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)nc1 ZINC000253146625 1128872353 /nfs/dbraw/zinc/87/23/53/1128872353.db2.gz YPRVCHSACNHXNU-VQIMIIECSA-N 0 3 348.450 3.673 20 30 EHEDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000007547360 1128872529 /nfs/dbraw/zinc/87/25/29/1128872529.db2.gz CZZKXGAXTBLJNW-LIRRHRJNSA-N 0 3 337.423 3.635 20 30 EHEDHN C=CCN(Cc1cc(-c2cnn(C)c2C)no1)CC1CCCCC1 ZINC000184548236 1120379809 /nfs/dbraw/zinc/37/98/09/1120379809.db2.gz UEZWGRQOGZVQJZ-UHFFFAOYSA-N 0 3 328.460 3.952 20 30 EHEDHN N#CC(C(=O)CCc1ccc(Br)cc1)c1ccccn1 ZINC000176526886 1120564230 /nfs/dbraw/zinc/56/42/30/1120564230.db2.gz SZVXFIWMSSNXRT-AWEZNQCLSA-N 0 3 329.197 3.653 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000303318981 1121136305 /nfs/dbraw/zinc/13/63/05/1121136305.db2.gz USAMYJBCBNCIQE-UHFFFAOYSA-N 0 3 332.513 3.787 20 30 EHEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000915218596 1121258729 /nfs/dbraw/zinc/25/87/29/1121258729.db2.gz YSUFUXKXQLGGDO-ZWKOTPCHSA-N 0 3 327.472 3.752 20 30 EHEDHN CC[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000915218595 1121258935 /nfs/dbraw/zinc/25/89/35/1121258935.db2.gz YSUFUXKXQLGGDO-ROUUACIJSA-N 0 3 327.472 3.752 20 30 EHEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)c(C)c1 ZINC000487927770 1121269943 /nfs/dbraw/zinc/26/99/43/1121269943.db2.gz GUICMJYDQGZNIE-UHFFFAOYSA-N 0 3 335.451 3.591 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495782880 1121425812 /nfs/dbraw/zinc/42/58/12/1121425812.db2.gz ACCOBWOFHCZAOL-YWZLYKJASA-N 0 3 343.471 3.856 20 30 EHEDHN C=CCSc1nc2ccccc2n1CN1CCN(C)C[C@@H]1C(C)C ZINC000153629975 1121534583 /nfs/dbraw/zinc/53/45/83/1121534583.db2.gz GTSFEIYNVUJSQV-GOSISDBHSA-N 0 3 344.528 3.544 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(-c3nccs3)cc2)CC1 ZINC000171738045 1121658604 /nfs/dbraw/zinc/65/86/04/1121658604.db2.gz DUUYHIXXJGMLLG-UHFFFAOYSA-N 0 3 342.468 3.582 20 30 EHEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccccc1Cl ZINC000077247289 1129002395 /nfs/dbraw/zinc/00/23/95/1129002395.db2.gz OMMJVERJFYIXDY-CYBMUJFWSA-N 0 3 330.815 3.950 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cc(F)cc(F)c1 ZINC000916904523 1122391622 /nfs/dbraw/zinc/39/16/22/1122391622.db2.gz AJKXIJGGUCYGET-GFCCVEGCSA-N 0 3 334.709 3.579 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000917160862 1122541107 /nfs/dbraw/zinc/54/11/07/1122541107.db2.gz LMAMTMYSSVBWNT-CQSZACIVSA-N 0 3 339.395 3.748 20 30 EHEDHN N#CC(C(=O)CCCOc1ccc2c(c1)CCCC2)c1ccccn1 ZINC000132206274 1129108996 /nfs/dbraw/zinc/10/89/96/1129108996.db2.gz KPLKVEXEZCCUMN-LJQANCHMSA-N 0 3 334.419 3.996 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2cc3ccccc3o2)cc1 ZINC000920109664 1123294781 /nfs/dbraw/zinc/29/47/81/1123294781.db2.gz TYXAWCBWPMGWRO-GOSISDBHSA-N 0 3 346.386 3.885 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H](C)OCC(C)C ZINC000920790212 1123423495 /nfs/dbraw/zinc/42/34/95/1123423495.db2.gz RXJWWTQHKRFHGX-RHSMWYFYSA-N 0 3 344.455 3.520 20 30 EHEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(Cl)c3ccccc32)C1=O ZINC000499636099 1129131945 /nfs/dbraw/zinc/13/19/45/1129131945.db2.gz ZZBNFBCIYCZMES-SCLBCKFNSA-N 0 3 328.843 3.931 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000609627588 1123628801 /nfs/dbraw/zinc/62/88/01/1123628801.db2.gz QXJOGKDZZPATHL-CYBMUJFWSA-N 0 3 325.368 3.990 20 30 EHEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000610001819 1123710938 /nfs/dbraw/zinc/71/09/38/1123710938.db2.gz BWEMYVUOADTPDC-PKOBYXMFSA-N 0 3 327.472 3.834 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000179636351 1123814461 /nfs/dbraw/zinc/81/44/61/1123814461.db2.gz GUGADGUWLDEVDS-SFHVURJKSA-N 0 3 343.377 3.906 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000179800434 1123860508 /nfs/dbraw/zinc/86/05/08/1123860508.db2.gz PFGAWMBJMJAQKH-GOSISDBHSA-N 0 3 343.377 3.906 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000245930010 1123983579 /nfs/dbraw/zinc/98/35/79/1123983579.db2.gz SEJATQHOBTWVKM-MCPREKNCSA-N 0 3 347.890 3.635 20 30 EHEDHN C=CCOc1cccc(NC(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000139105695 1124062780 /nfs/dbraw/zinc/06/27/80/1124062780.db2.gz KPVHKLFYYOFBNG-UHFFFAOYSA-N 0 3 325.412 3.957 20 30 EHEDHN CC(C)[C@H](NCc1csc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000921497926 1124909949 /nfs/dbraw/zinc/90/99/49/1124909949.db2.gz WMTKBHGFEQVRBO-SFHVURJKSA-N 0 3 328.437 3.878 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccnc(SC(C)(C)C)c2)CC1 ZINC000181622148 1124982909 /nfs/dbraw/zinc/98/29/09/1124982909.db2.gz CPUCSBIYUMUYLF-UHFFFAOYSA-N 0 3 347.528 3.743 20 30 EHEDHN COC(=O)C(C)(C)[C@H](NCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000618753438 1125191008 /nfs/dbraw/zinc/19/10/08/1125191008.db2.gz MZBNNYAGEQROQK-LJQANCHMSA-N 0 3 336.435 3.897 20 30 EHEDHN COc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1NC(C)=O ZINC000618804716 1125207359 /nfs/dbraw/zinc/20/73/59/1125207359.db2.gz LQSVGKYGCOQMPP-ORAYPTAESA-N 0 3 349.434 3.863 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(CN2CCCC2)c1 ZINC000618893228 1125234525 /nfs/dbraw/zinc/23/45/25/1125234525.db2.gz ZAYDJTAEMICDTJ-NRFANRHFSA-N 0 3 345.446 3.571 20 30 EHEDHN COc1cc2c(cc1OC)[C@H](N[C@H]1CCc3cc(C#N)ccc31)CC2 ZINC000619465989 1125350725 /nfs/dbraw/zinc/35/07/25/1125350725.db2.gz WUUPHUTYQRXIFX-RBUKOAKNSA-N 0 3 334.419 3.840 20 30 EHEDHN N#Cc1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1Cl ZINC000619748380 1125400023 /nfs/dbraw/zinc/40/00/23/1125400023.db2.gz CHJUAWSYSSQIMB-UHFFFAOYSA-N 0 3 328.828 3.953 20 30 EHEDHN Cc1c(Cl)cnc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000543138058 1129274538 /nfs/dbraw/zinc/27/45/38/1129274538.db2.gz CZNWOXMWWAHYHO-MRXNPFEDSA-N 0 3 340.858 3.626 20 30 EHEDHN N#Cc1cc(CN2CCN(c3ccnc4ccccc43)CC2)ccc1F ZINC000347698065 1129336739 /nfs/dbraw/zinc/33/67/39/1129336739.db2.gz ZWKBGXSLVLQITQ-UHFFFAOYSA-N 0 3 346.409 3.568 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265858703 1129510111 /nfs/dbraw/zinc/51/01/11/1129510111.db2.gz RQCGXBVBCVNMQE-VKJFTORMSA-N 0 3 343.471 3.854 20 30 EHEDHN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCCSCC#N ZINC000428999496 1129682126 /nfs/dbraw/zinc/68/21/26/1129682126.db2.gz LRWAWZXVCWOXFR-CYBMUJFWSA-N 0 3 341.883 3.636 20 30 EHEDHN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCCSCC#N ZINC000428999497 1129682164 /nfs/dbraw/zinc/68/21/64/1129682164.db2.gz LRWAWZXVCWOXFR-ZDUSSCGKSA-N 0 3 341.883 3.636 20 30 EHEDHN CC[C@@H](NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(C#N)cc1 ZINC000556078245 1129820814 /nfs/dbraw/zinc/82/08/14/1129820814.db2.gz HBECAFIUXHVSQP-QGZVFWFLSA-N 0 3 335.386 3.723 20 30 EHEDHN CC[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)c1ccc(C#N)cc1 ZINC000556078245 1129820817 /nfs/dbraw/zinc/82/08/17/1129820817.db2.gz HBECAFIUXHVSQP-QGZVFWFLSA-N 0 3 335.386 3.723 20 30 EHEDHN Cc1ccc([C@@H](CNCc2ccc(C#N)cc2F)N2CCCC2)o1 ZINC000347845609 1129918375 /nfs/dbraw/zinc/91/83/75/1129918375.db2.gz BLOLLKKONFDHMA-GOSISDBHSA-N 0 3 327.403 3.526 20 30 EHEDHN Cc1c(NN=Cc2ccc(N3CCCCC3)o2)cccc1[N+](=O)[O-] ZINC000727973511 1130614832 /nfs/dbraw/zinc/61/48/32/1130614832.db2.gz OTXVSSSUTCNIDY-UHFFFAOYSA-N 0 3 328.372 3.933 20 30 EHEDHN CC1(C)CN(C2(C/N=C/c3ccccc3O)CCCCC2)CCO1 ZINC000731155915 1130773859 /nfs/dbraw/zinc/77/38/59/1130773859.db2.gz WOOLTWLBTQXIMN-KGENOOAVSA-N 0 3 330.472 3.625 20 30 EHEDHN CN1CCC(N(C(=O)/C=C\c2ccccc2C#N)c2ccccc2)CC1 ZINC000732732704 1130954114 /nfs/dbraw/zinc/95/41/14/1130954114.db2.gz ISJIDJCPZBDJBB-QXMHVHEDSA-N 0 3 345.446 3.699 20 30 EHEDHN CC1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000732984276 1130978033 /nfs/dbraw/zinc/97/80/33/1130978033.db2.gz GRQOLQSYUCKSMX-ZDUSSCGKSA-N 0 3 327.453 3.595 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000733322898 1131024754 /nfs/dbraw/zinc/02/47/54/1131024754.db2.gz WVIRPYYELKUOLQ-UHFFFAOYSA-N 0 3 335.325 3.887 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccccc2Cn2ccnc2)cc1 ZINC000733324156 1131025234 /nfs/dbraw/zinc/02/52/34/1131025234.db2.gz KFMVBOAJBQVFGH-UHFFFAOYSA-N 0 3 345.446 3.623 20 30 EHEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741157333 1131581425 /nfs/dbraw/zinc/58/14/25/1131581425.db2.gz LTRUOVYOTBNOLT-QGZVFWFLSA-N 0 3 346.446 3.518 20 30 EHEDHN C[C@@H](CCCC#N)N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001172498700 1131760166 /nfs/dbraw/zinc/76/01/66/1131760166.db2.gz NHFSZRIBSIFKOR-PXNSSMCTSA-N 0 3 329.463 3.948 20 30 EHEDHN C[C@H](Cc1c(F)cccc1Cl)NC(=N)c1ccc(Cl)cn1 ZINC001172845080 1131867852 /nfs/dbraw/zinc/86/78/52/1131867852.db2.gz KWJZGWKBHCAFLE-SECBINFHSA-N 0 3 326.202 3.864 20 30 EHEDHN Cc1ccc(N2CCC[C@@H](N[C@H](C)c3cccc(C#N)c3)C2=O)cc1 ZINC000743490603 1131933723 /nfs/dbraw/zinc/93/37/23/1131933723.db2.gz KGXXYBXHAYHGCO-OXQOHEQNSA-N 0 3 333.435 3.713 20 30 EHEDHN C=CCOc1ccccc1[C@@H](C)N[C@H]1COc2cccc(OC)c2C1 ZINC001173160621 1131987951 /nfs/dbraw/zinc/98/79/51/1131987951.db2.gz JEQCVAXLRVYPIN-HZPDHXFCSA-N 0 3 339.435 3.914 20 30 EHEDHN CC(C)(C)OC(=O)N1CCN(C2CCC(CC#N)CC2)CC12CC2 ZINC001173338129 1132054873 /nfs/dbraw/zinc/05/48/73/1132054873.db2.gz YRZUOQRHLWEIGQ-UHFFFAOYSA-N 0 3 333.476 3.544 20 30 EHEDHN C[C@@H]1CC[C@@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744428352 1132097098 /nfs/dbraw/zinc/09/70/98/1132097098.db2.gz IXBITMXTUBGSCJ-MCIONIFRSA-N 0 3 327.453 3.593 20 30 EHEDHN COc1ccc(Cl)cc1N1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173600302 1132102247 /nfs/dbraw/zinc/10/22/47/1132102247.db2.gz YWOQTTXUYIRHBJ-UHFFFAOYSA-N 0 3 347.890 3.943 20 30 EHEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000181878702 1132176088 /nfs/dbraw/zinc/17/60/88/1132176088.db2.gz NCMSEIIUSZEDKP-OAHLLOKOSA-N 0 3 336.826 3.623 20 30 EHEDHN COc1cc(C#N)c(NC2=CCN(Cc3ccccc3)CC2)cc1OC ZINC001175505872 1132693126 /nfs/dbraw/zinc/69/31/26/1132693126.db2.gz JCKNAFJMBUOHJV-UHFFFAOYSA-N 0 3 349.434 3.777 20 30 EHEDHN CCN1CCN(c2ccc(Nc3cc(F)cc(F)c3C#N)cc2)CC1 ZINC001175783078 1132765358 /nfs/dbraw/zinc/76/53/58/1132765358.db2.gz XEIYINCCCJFAGA-UHFFFAOYSA-N 0 3 342.393 3.722 20 30 EHEDHN CCN1CCN(c2ccc(Nc3ccc(C(C)=O)cc3C#N)cc2)CC1 ZINC001175781991 1132765522 /nfs/dbraw/zinc/76/55/22/1132765522.db2.gz NJIUILFYHUGPPY-UHFFFAOYSA-N 0 3 348.450 3.646 20 30 EHEDHN CCN1CCN(c2ccc(Nc3cc(F)c(C)cc3C#N)cc2)CC1 ZINC001175782205 1132765565 /nfs/dbraw/zinc/76/55/65/1132765565.db2.gz PUMQKZMOMHDUOX-UHFFFAOYSA-N 0 3 338.430 3.891 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000766915416 1132913675 /nfs/dbraw/zinc/91/36/75/1132913675.db2.gz MOWMTNUQJVJWPD-PZJWPPBQSA-N 0 3 336.435 3.655 20 30 EHEDHN N#CCCCCNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178593156 1133179835 /nfs/dbraw/zinc/17/98/35/1133179835.db2.gz KMAWZSFVOISHGY-UHFFFAOYSA-N 0 3 347.462 3.518 20 30 EHEDHN C=CCCC[C@H](NCc1ccc(C(=O)OC)n1C)c1ccccc1 ZINC001179458297 1133253722 /nfs/dbraw/zinc/25/37/22/1133253722.db2.gz RCZUMVMFTASNEQ-SFHVURJKSA-N 0 3 326.440 3.999 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)CC1c2ccccc2-c2ccccc21 ZINC001181308410 1133478257 /nfs/dbraw/zinc/47/82/57/1133478257.db2.gz LQCIENWZTGEHLB-KRWDZBQOSA-N 0 3 346.474 3.956 20 30 EHEDHN COC(=O)C1(C#N)CCN(CC2CCC3(CCCCC3)CC2)CC1 ZINC001181808085 1133531072 /nfs/dbraw/zinc/53/10/72/1133531072.db2.gz MDQJOHCTVZGQSJ-UHFFFAOYSA-N 0 3 332.488 3.906 20 30 EHEDHN CC[C@@H](N[C@H]1CCN(c2ccc(C)cc2)C1=O)c1ccc(C#N)cc1 ZINC000774250397 1133643218 /nfs/dbraw/zinc/64/32/18/1133643218.db2.gz DQKFTERDPDFRIC-UXHICEINSA-N 0 3 333.435 3.713 20 30 EHEDHN CCCCCCCCCC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000785828990 1133757799 /nfs/dbraw/zinc/75/77/99/1133757799.db2.gz VHQQFFUCOIYFFV-GOSISDBHSA-N 0 3 338.536 3.839 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)OC)cc1 ZINC000786310982 1133835806 /nfs/dbraw/zinc/83/58/06/1133835806.db2.gz DIJKYARUCBMCKT-CZUORRHYSA-N 0 3 330.428 3.663 20 30 EHEDHN C#CCN(Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C(C)C ZINC001184115764 1133899741 /nfs/dbraw/zinc/89/97/41/1133899741.db2.gz NSPCTILNORFXGP-UHFFFAOYSA-N 0 3 342.483 3.823 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H](F)c1ccccc1)c1ccccc1 ZINC000787041701 1133942853 /nfs/dbraw/zinc/94/28/53/1133942853.db2.gz QNQBFJGJBOMUBV-SQNIBIBYSA-N 0 3 338.382 3.674 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CC[C@H](OC)C(F)(F)F)c([O-])c1 ZINC000787139905 1133958110 /nfs/dbraw/zinc/95/81/10/1133958110.db2.gz CXRNRGXWWRPQSA-BBJIBYMTSA-N 0 3 332.366 3.625 20 30 EHEDHN CCCOc1cc(CNCc2ccc(OC)c(C#N)c2)ccc1OC ZINC000746742189 1134105624 /nfs/dbraw/zinc/10/56/24/1134105624.db2.gz RGZUYXDZNCGCBA-UHFFFAOYSA-N 0 3 340.423 3.654 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(N(C)CC)nc2)c1 ZINC000790965672 1134486540 /nfs/dbraw/zinc/48/65/40/1134486540.db2.gz VRCHMXJTOQAIRS-SFHVURJKSA-N 0 3 338.455 3.508 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC2(OC)CCC2)cc1 ZINC000791770622 1134599749 /nfs/dbraw/zinc/59/97/49/1134599749.db2.gz CMQIPNNIJVMRLF-KRWDZBQOSA-N 0 3 342.439 3.636 20 30 EHEDHN Cc1cccc2c1[C@@H](NC1CCC(C#N)(c3ccccc3)CC1)C(=O)N2 ZINC001170358988 1134754745 /nfs/dbraw/zinc/75/47/45/1134754745.db2.gz KEZQWDATYXDYES-LVKMRUPZSA-N 0 3 345.446 3.982 20 30 EHEDHN Cc1ncsc1CCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC001190903505 1134768576 /nfs/dbraw/zinc/76/85/76/1134768576.db2.gz BTOKVTAMUQYMND-UHFFFAOYSA-N 0 3 341.480 3.799 20 30 EHEDHN CC[C@H](Cc1ccc2c(c1)OCO2)NC(=N)c1ccc2ccccc2n1 ZINC001170418776 1134782364 /nfs/dbraw/zinc/78/23/64/1134782364.db2.gz AIYDKZKUIYKWHC-MRXNPFEDSA-N 0 3 347.418 3.690 20 30 EHEDHN CC(C)(C)OC(=O)N1CCCC[C@@H](CN(CCC#N)CC2CC2)C1 ZINC001191368076 1134858086 /nfs/dbraw/zinc/85/80/86/1134858086.db2.gz XJZVNCDVOBDXNY-KRWDZBQOSA-N 0 3 335.492 3.649 20 30 EHEDHN OC[C@H](C1CC1)N(CC#Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001192964310 1135085002 /nfs/dbraw/zinc/08/50/02/1135085002.db2.gz JIZYAKGNSAKCMC-OAQYLSRUSA-N 0 3 339.866 3.965 20 30 EHEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2Br)C12CCC2 ZINC001194445722 1135274055 /nfs/dbraw/zinc/27/40/55/1135274055.db2.gz KODGKBYZFKNRTL-JKSUJKDBSA-N 0 3 349.272 3.758 20 30 EHEDHN COc1ccc(C(C)=NN[C@@H]2CCSC2)cc1CN1CCCCC1 ZINC000807999977 1135601663 /nfs/dbraw/zinc/60/16/63/1135601663.db2.gz DKISQUFQCMNEGE-GOSISDBHSA-N 0 3 347.528 3.500 20 30 EHEDHN C#CCOc1ccccc1CNC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808426165 1135659551 /nfs/dbraw/zinc/65/95/51/1135659551.db2.gz LIZUBWFNQPLTMM-KRWDZBQOSA-N 0 3 349.352 3.541 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000808432279 1135675015 /nfs/dbraw/zinc/67/50/15/1135675015.db2.gz YXFQZGPXXNCVGW-INIZCTEOSA-N 0 3 339.435 3.875 20 30 EHEDHN C#CCCCN(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000808786180 1135737248 /nfs/dbraw/zinc/73/72/48/1135737248.db2.gz JFDGLNOVEPDFKX-OAHLLOKOSA-N 0 3 333.781 3.521 20 30 EHEDHN C#C[C@H](CC)NCc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000809686164 1135872201 /nfs/dbraw/zinc/87/22/01/1135872201.db2.gz WKRNBKKVMZNAKT-QGZVFWFLSA-N 0 3 325.456 3.815 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(N2CCCCC2=O)cc1 ZINC000810180134 1135934744 /nfs/dbraw/zinc/93/47/44/1135934744.db2.gz OKJCBLKMSJSTBS-CQSZACIVSA-N 0 3 339.464 3.987 20 30 EHEDHN CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000810437856 1135964765 /nfs/dbraw/zinc/96/47/65/1135964765.db2.gz JQRDDWGZEAXHBC-QRWLVFNGSA-N 0 3 345.462 3.680 20 30 EHEDHN C=CCOCc1nn(CC2CC2)c2c1CN(CC1CCCCC1)CC2 ZINC001201388726 1136015309 /nfs/dbraw/zinc/01/53/09/1136015309.db2.gz DZUFKRJCWLESFL-UHFFFAOYSA-N 0 3 343.515 3.934 20 30 EHEDHN CCCCCCCN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001201776941 1136065692 /nfs/dbraw/zinc/06/56/92/1136065692.db2.gz PPJVGVGWLUYYQB-IPMKNSEASA-N 0 3 332.488 3.910 20 30 EHEDHN Cn1cc[nH+]c1[N-]N=Cc1cc(C(F)(F)F)ccc1Br ZINC000811649757 1136117046 /nfs/dbraw/zinc/11/70/46/1136117046.db2.gz WNOHFPBMFJIDOD-UHFFFAOYSA-N 0 3 347.138 3.647 20 30 EHEDHN C#Cc1ccc(CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000812769730 1136248342 /nfs/dbraw/zinc/24/83/42/1136248342.db2.gz UTYRYQCOTOMRMR-UHFFFAOYSA-N 0 3 340.467 3.643 20 30 EHEDHN C[C@@H](NC(=O)CC(C)(C)C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797569849 1136283387 /nfs/dbraw/zinc/28/33/87/1136283387.db2.gz YAOXQYLGOHZQQG-VXGBXAGGSA-N 0 3 349.500 3.558 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC2(C#N)CCCCC2)cc1 ZINC000850760050 1136301054 /nfs/dbraw/zinc/30/10/54/1136301054.db2.gz PQONDUKNUFGPTG-KRWDZBQOSA-N 0 3 337.423 3.761 20 30 EHEDHN C[C@H](CC(C)(C)C#N)OC(=O)C1CCN(c2ccc(Cl)cc2)C1=O ZINC000851210749 1136352482 /nfs/dbraw/zinc/35/24/82/1136352482.db2.gz UUYOOQKNABEHIU-IUODEOHRSA-N 0 3 348.830 3.564 20 30 EHEDHN C#CCN(CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000852046394 1136429100 /nfs/dbraw/zinc/42/91/00/1136429100.db2.gz RXJUGZUMSXWGJQ-IBGZPJMESA-N 0 3 336.460 3.625 20 30 EHEDHN C=CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000852554904 1136466088 /nfs/dbraw/zinc/46/60/88/1136466088.db2.gz YIGRZOOZYJJTBP-ZDUSSCGKSA-N 0 3 327.453 3.759 20 30 EHEDHN CN(C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)CC(C)(C)C#N ZINC000814670223 1136492200 /nfs/dbraw/zinc/49/22/00/1136492200.db2.gz XDBWRDSRRDFBDV-WKILWMFISA-N 0 3 337.508 3.799 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)c(F)c1 ZINC000776728464 1136609041 /nfs/dbraw/zinc/60/90/41/1136609041.db2.gz GWXSCFXQDNCGKF-CHWSQXEVSA-N 0 3 337.398 3.994 20 30 EHEDHN Cc1ccn(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c(=O)c1C#N ZINC000776774732 1136661046 /nfs/dbraw/zinc/66/10/46/1136661046.db2.gz MTSIJUKJWGDNJU-CEWLAPEOSA-N 0 3 347.462 3.644 20 30 EHEDHN C#CCOc1ccc(CNCc2cccc(OCC(F)F)c2)cc1 ZINC000113337152 1136697442 /nfs/dbraw/zinc/69/74/42/1136697442.db2.gz DEIRFMGVMIVJQK-UHFFFAOYSA-N 0 3 331.362 3.632 20 30 EHEDHN N#Cc1ccc([C@H](O)CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000819210017 1136925131 /nfs/dbraw/zinc/92/51/31/1136925131.db2.gz QEIPIFYHKTWDAY-ZWKOTPCHSA-N 0 3 342.826 3.749 20 30 EHEDHN C#CCOc1ccc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858017185 1136932436 /nfs/dbraw/zinc/93/24/36/1136932436.db2.gz VLZLUEPZZHUGOE-OAQYLSRUSA-N 0 3 348.446 3.624 20 30 EHEDHN COc1ccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)C2CC2)cn1 ZINC000858604719 1136982064 /nfs/dbraw/zinc/98/20/64/1136982064.db2.gz OMSLLHCJWIFICV-VBKZILBWSA-N 0 3 337.423 3.794 20 30 EHEDHN Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1C#N ZINC000859190497 1137007123 /nfs/dbraw/zinc/00/71/23/1137007123.db2.gz MHFUHQKPWBETHU-HXUWFJFHSA-N 0 3 336.435 3.754 20 30 EHEDHN Cc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1C#N ZINC000859190497 1137007125 /nfs/dbraw/zinc/00/71/25/1137007125.db2.gz MHFUHQKPWBETHU-HXUWFJFHSA-N 0 3 336.435 3.754 20 30 EHEDHN C=CC[C@H]1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000859445069 1137014980 /nfs/dbraw/zinc/01/49/80/1137014980.db2.gz KQLOOAJFKDLEPA-KRWDZBQOSA-N 0 3 327.472 3.513 20 30 EHEDHN C#CCN1CCC(C(=O)NCc2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000117727483 1137078573 /nfs/dbraw/zinc/07/85/73/1137078573.db2.gz HVDBDYXOOMABCZ-UHFFFAOYSA-N 0 3 346.474 3.623 20 30 EHEDHN Cc1ccn2c(CN3CCC(c4ccc(C#N)cc4)CC3)cnc2c1 ZINC001136892247 1137141684 /nfs/dbraw/zinc/14/16/84/1137141684.db2.gz DMQKSEOUGYCOMU-UHFFFAOYSA-N 0 3 330.435 3.894 20 30 EHEDHN C#Cc1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000825226736 1137169330 /nfs/dbraw/zinc/16/93/30/1137169330.db2.gz LKTULSBYJLBIRR-UHFFFAOYSA-N 0 3 349.434 3.856 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000825299543 1137172034 /nfs/dbraw/zinc/17/20/34/1137172034.db2.gz MYUVKROCQDZPMZ-MRXNPFEDSA-N 0 3 347.434 3.575 20 30 EHEDHN N#Cc1cccc(Cl)c1CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001143734217 1137193193 /nfs/dbraw/zinc/19/31/93/1137193193.db2.gz FGCXGTXEPIDFIK-ROUUACIJSA-N 0 3 335.854 3.610 20 30 EHEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cc(F)cc(F)c1C)CC2 ZINC001143764290 1137196737 /nfs/dbraw/zinc/19/67/37/1137196737.db2.gz VYIPVVNUOBPUHJ-HXUWFJFHSA-N 0 3 348.437 3.806 20 30 EHEDHN C#Cc1cccc(NC(=S)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000844593126 1137238160 /nfs/dbraw/zinc/23/81/60/1137238160.db2.gz CZJUUWLSEHJMIE-NRFANRHFSA-N 0 3 349.503 3.619 20 30 EHEDHN C=CCN1CCC(NC(=O)/C=C\c2ccsc2C(F)(F)F)CC1 ZINC000865193797 1137268056 /nfs/dbraw/zinc/26/80/56/1137268056.db2.gz OVVPRHAXHALONG-ARJAWSKDSA-N 0 3 344.402 3.547 20 30 EHEDHN Oc1ccccc1/C=N/C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000794833710 1137272255 /nfs/dbraw/zinc/27/22/55/1137272255.db2.gz PIQIKOKWSLFQLT-SRZZPIQSSA-N 0 3 326.362 3.616 20 30 EHEDHN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000772928085 1137302194 /nfs/dbraw/zinc/30/21/94/1137302194.db2.gz LMFGIFDCRFTVSX-INIZCTEOSA-N 0 3 349.450 3.726 20 30 EHEDHN C=CCOc1cccc(CNCc2ccc(C3(C)OCCO3)cc2)c1 ZINC000865669435 1137303427 /nfs/dbraw/zinc/30/34/27/1137303427.db2.gz CFQNQBPYAQRJNC-UHFFFAOYSA-N 0 3 339.435 3.761 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cn(Cc2ccc(F)cc2)cn1 ZINC001171198344 1137308110 /nfs/dbraw/zinc/30/81/10/1137308110.db2.gz KPMVCCNQRWVYLU-MRXNPFEDSA-N 0 3 348.425 3.663 20 30 EHEDHN C#Cc1ccc(CN2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001144581555 1137311355 /nfs/dbraw/zinc/31/13/55/1137311355.db2.gz WMJLEUFAKXJROM-NRFANRHFSA-N 0 3 342.483 3.795 20 30 EHEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccc(CSC(F)F)o1)C2 ZINC000865849920 1137316623 /nfs/dbraw/zinc/31/66/23/1137316623.db2.gz YGUXRTNYNFIWOG-CQSZACIVSA-N 0 3 334.391 3.864 20 30 EHEDHN C=CCc1cc(CN[C@H]2CCCc3ncccc32)cc(OC)c1OC ZINC000866292235 1137343151 /nfs/dbraw/zinc/34/31/51/1137343151.db2.gz JEELAIYGHZAYBB-IBGZPJMESA-N 0 3 338.451 3.995 20 30 EHEDHN Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)c([O-])c1 ZINC000866448670 1137355672 /nfs/dbraw/zinc/35/56/72/1137355672.db2.gz JEWYCNCUIFYDDT-INIZCTEOSA-N 0 3 335.451 3.892 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000339097006 1137474192 /nfs/dbraw/zinc/47/41/92/1137474192.db2.gz JCCBGENZSNYFPG-HNAYVOBHSA-N 0 3 334.423 3.515 20 30 EHEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H](O)c1c(F)cccc1F ZINC000123202234 1137501132 /nfs/dbraw/zinc/50/11/32/1137501132.db2.gz BXJMCAZHAZWTKA-GOSISDBHSA-N 0 3 330.378 3.780 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CCC2)CC12CCC2 ZINC001171829929 1137512100 /nfs/dbraw/zinc/51/21/00/1137512100.db2.gz OYAYKEMUPYNRFT-HNNXBMFYSA-N 0 3 333.476 3.592 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H](CO)c1cccc(Cl)c1F ZINC001172304800 1137545415 /nfs/dbraw/zinc/54/54/15/1137545415.db2.gz OLNRRHGDYHJNAA-SJKOYZFVSA-N 0 3 332.806 3.605 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCC)c(OCCC)c1 ZINC000876553168 1137655332 /nfs/dbraw/zinc/65/53/32/1137655332.db2.gz IWMCOIKLONUCGC-CQSZACIVSA-N 0 3 340.851 3.673 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000876901512 1137664999 /nfs/dbraw/zinc/66/49/99/1137664999.db2.gz FNSBIGUKMBMMCM-ZANVPECISA-N 0 3 335.662 3.511 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(OC)c(Cl)cc1C1CC1 ZINC000876954039 1137666148 /nfs/dbraw/zinc/66/61/48/1137666148.db2.gz BJWLFUQCBDHKBS-LBPRGKRZSA-N 0 3 329.227 3.634 20 30 EHEDHN CCc1cccc2c(CCNCc3cc(C#N)cnc3Cl)c[nH]c21 ZINC000877040814 1137668464 /nfs/dbraw/zinc/66/84/64/1137668464.db2.gz SHOXDRMCOKIQNQ-UHFFFAOYSA-N 0 3 338.842 3.983 20 30 EHEDHN COc1ccc([C@@H](C)CCNCc2cc(C#N)cnc2Cl)cc1 ZINC000877042919 1137668556 /nfs/dbraw/zinc/66/85/56/1137668556.db2.gz BSBFLCDUVIAWKF-ZDUSSCGKSA-N 0 3 329.831 3.899 20 30 EHEDHN Cc1c(Br)cncc1CN(C)CCc1cccc(C#N)c1 ZINC000877704205 1137686418 /nfs/dbraw/zinc/68/64/18/1137686418.db2.gz FLLWCUQTCOCVHP-UHFFFAOYSA-N 0 3 344.256 3.699 20 30 EHEDHN CC(C)c1cc([C@@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)[nH]n1 ZINC000877783970 1137690012 /nfs/dbraw/zinc/69/00/12/1137690012.db2.gz LZLAIFAILFPSHZ-MRXNPFEDSA-N 0 3 326.419 3.923 20 30 EHEDHN CC(C)c1cc([C@@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000877783970 1137690013 /nfs/dbraw/zinc/69/00/13/1137690013.db2.gz LZLAIFAILFPSHZ-MRXNPFEDSA-N 0 3 326.419 3.923 20 30 EHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878885898 1137730910 /nfs/dbraw/zinc/73/09/10/1137730910.db2.gz UHZJPBPINVWMOY-ZFWWWQNUSA-N 0 3 342.399 3.869 20 30 EHEDHN N#Cc1ccc(CCN2CCC(c3nc(C4CCC4)no3)CC2)cc1 ZINC000879553503 1137750642 /nfs/dbraw/zinc/75/06/42/1137750642.db2.gz OOJHZIRJOSKDHI-UHFFFAOYSA-N 0 3 336.439 3.631 20 30 EHEDHN C=CCCC[C@@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000883325219 1137854936 /nfs/dbraw/zinc/85/49/36/1137854936.db2.gz SVSRZOMWGPHXPZ-LJQANCHMSA-N 0 3 344.480 3.521 20 30 EHEDHN N#Cc1ccc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000101918554 1137872133 /nfs/dbraw/zinc/87/21/33/1137872133.db2.gz YXNNRBQWHSRQHC-UHFFFAOYSA-N 0 3 337.398 3.548 20 30 EHEDHN CCCN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)[C@@H](CC)c1ccccc1 ZINC000884086111 1137905669 /nfs/dbraw/zinc/90/56/69/1137905669.db2.gz NJVBREQWZNEJJH-JMDAGXMHSA-N 0 3 339.483 3.516 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@H](CC)c2c(C)nn(C)c2C)cc1 ZINC000133728185 1137908803 /nfs/dbraw/zinc/90/88/03/1137908803.db2.gz LMDKEQBWHJUXFN-AUUYWEPGSA-N 0 3 325.456 3.851 20 30 EHEDHN Cc1cc(CN2CCC(C(=O)NC3CCCCC3)CC2)ccc1C#N ZINC000332535599 1137946647 /nfs/dbraw/zinc/94/66/47/1137946647.db2.gz IHWNMNLHVORXNS-UHFFFAOYSA-N 0 3 339.483 3.528 20 30 EHEDHN N#CC1(C[C@H](O)CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCC1 ZINC000886109029 1138047299 /nfs/dbraw/zinc/04/72/99/1138047299.db2.gz AMSKFXZCMXONML-GJZGRUSLSA-N 0 3 344.352 3.854 20 30 EHEDHN C[C@@H](COCc1ccccc1)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000886190363 1138057564 /nfs/dbraw/zinc/05/75/64/1138057564.db2.gz NWSPYLBFDKJUID-LJQANCHMSA-N 0 3 349.478 3.792 20 30 EHEDHN C#CCN(C(=O)c1sc2ccccc2c1Cl)C1CCN(C)CC1 ZINC000886587339 1138100136 /nfs/dbraw/zinc/10/01/36/1138100136.db2.gz SGYHEJCPTLNXNK-UHFFFAOYSA-N 0 3 346.883 3.724 20 30 EHEDHN COC(=O)c1cncc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000886614026 1138102227 /nfs/dbraw/zinc/10/22/27/1138102227.db2.gz LJMXFSNGEUSTRL-DNVCBOLYSA-N 0 3 337.423 3.954 20 30 EHEDHN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075745713 1138128673 /nfs/dbraw/zinc/12/86/73/1138128673.db2.gz KBRGJNZMONDKMX-BEFAXECRSA-N 0 3 344.418 3.986 20 30 EHEDHN C[C@H]1C[C@H](c2ccccc2)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075745715 1138128770 /nfs/dbraw/zinc/12/87/70/1138128770.db2.gz KBRGJNZMONDKMX-KXBFYZLASA-N 0 3 344.418 3.986 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(-c3ccccc3)on2)CC1 ZINC000085610581 1138184936 /nfs/dbraw/zinc/18/49/36/1138184936.db2.gz DOVWQHWXKMZYSK-UHFFFAOYSA-N 0 3 340.427 3.504 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000264231107 1138449122 /nfs/dbraw/zinc/44/91/22/1138449122.db2.gz MBMMJFJMPLVOAN-LJQANCHMSA-N 0 3 344.886 3.643 20 30 EHEDHN CSc1ccc([C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000337231936 1138502289 /nfs/dbraw/zinc/50/22/89/1138502289.db2.gz XPESPNRFGDIDFT-PMUMKWKESA-N 0 3 333.501 3.502 20 30 EHEDHN N#CCOc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000264532057 1138549439 /nfs/dbraw/zinc/54/94/39/1138549439.db2.gz DRBMLVIYBXCFRM-UHFFFAOYSA-N 0 3 347.418 3.504 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(CC(C)C)C2CC2)c1 ZINC000338392537 1138884711 /nfs/dbraw/zinc/88/47/11/1138884711.db2.gz HFSNFKSJBPWJLB-UHFFFAOYSA-N 0 3 327.472 3.671 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(N3CCCC3)nc2)cc1 ZINC000151040575 1139003673 /nfs/dbraw/zinc/00/36/73/1139003673.db2.gz NFLYMYUNUZGWKR-QGZVFWFLSA-N 0 3 335.451 3.545 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(F)c(COC)c2)cc1 ZINC000151194758 1139015936 /nfs/dbraw/zinc/01/59/36/1139015936.db2.gz WSEWFEOSNRTVOP-HNNXBMFYSA-N 0 3 327.399 3.835 20 30 EHEDHN C=CCOc1cccc(CN2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000180169711 1139815348 /nfs/dbraw/zinc/81/53/48/1139815348.db2.gz JVIYWEUOAAJMOZ-OAQYLSRUSA-N 0 3 345.483 3.802 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1cc2ccccc2s1 ZINC000184383309 1140099624 /nfs/dbraw/zinc/09/96/24/1140099624.db2.gz YVYWWKHZCTWDDC-ZIAGYGMSSA-N 0 3 329.469 3.560 20 30 EHEDHN CN1c2ccc(CN(Cc3ccc(C#N)cc3)C3CC3)cc2CCC1=O ZINC000186882026 1140226740 /nfs/dbraw/zinc/22/67/40/1140226740.db2.gz XBIIBOOSYYMULM-UHFFFAOYSA-N 0 3 345.446 3.632 20 30 EHEDHN C=CCc1cc(CNCc2ccc(C(C)(C)O)cc2)cc(OC)c1O ZINC000187501004 1140257789 /nfs/dbraw/zinc/25/77/89/1140257789.db2.gz UFIZYGWQBZFFDB-UHFFFAOYSA-N 0 3 341.451 3.647 20 30 EHEDHN CCSc1cc(CNCc2ccc(N(C)CCC#N)cc2)ccn1 ZINC000189597671 1140353864 /nfs/dbraw/zinc/35/38/64/1140353864.db2.gz WQDHKUIWLOMFOX-UHFFFAOYSA-N 0 3 340.496 3.833 20 30 EHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000191320055 1140454252 /nfs/dbraw/zinc/45/42/52/1140454252.db2.gz QNGJQYXDFSALSV-ZDUSSCGKSA-N 0 3 327.403 3.675 20 30 EHEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(OCC#N)cc1)CCS2 ZINC000191529588 1140470244 /nfs/dbraw/zinc/47/02/44/1140470244.db2.gz UHARYJZNBFVCTO-SFHVURJKSA-N 0 3 340.448 3.924 20 30 EHEDHN N#Cc1c(Cl)nsc1N[C@H](CN1CCCC1)c1ccccc1 ZINC000266125400 1140643948 /nfs/dbraw/zinc/64/39/48/1140643948.db2.gz XPCLFNXGPPKKTR-CQSZACIVSA-N 0 3 332.860 3.917 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000271562178 1141397601 /nfs/dbraw/zinc/39/76/01/1141397601.db2.gz UOMQIRILLQOOLX-VMPBMTGNSA-N 0 3 341.476 3.848 20 30 EHEDHN C=C(C)COCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183159859 1125459049 /nfs/dbraw/zinc/45/90/49/1125459049.db2.gz LVLZEVVQQLNRRZ-UHFFFAOYSA-N 0 3 327.424 3.654 20 30 EHEDHN N#CC(C(=O)C=Cc1ccccc1OC(F)(F)F)c1ccccn1 ZINC000049457679 1014171916 /nfs/dbraw/zinc/17/19/16/1014171916.db2.gz DOXYYHFAGJCZFG-YXVBKTCISA-N 0 3 332.281 3.870 20 30 EHEDHN CCN(CC1CC1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000343730720 1032105438 /nfs/dbraw/zinc/10/54/38/1032105438.db2.gz ZSMOUFVBYQZCBH-QGZVFWFLSA-N 0 3 327.472 3.671 20 30 EHEDHN CCN(CC1CC1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000343730719 1032105774 /nfs/dbraw/zinc/10/57/74/1032105774.db2.gz ZSMOUFVBYQZCBH-KRWDZBQOSA-N 0 3 327.472 3.671 20 30 EHEDHN C[C@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)CN1Cc1ccccc1 ZINC000306689362 1015431870 /nfs/dbraw/zinc/43/18/70/1015431870.db2.gz OAHIZYSHIYOEJF-AAEUAGOBSA-N 0 3 332.860 3.743 20 30 EHEDHN N#Cc1ccc(CCN2CC[C@@H](Oc3cc(F)ccc3F)C2)cc1 ZINC001208926065 1015615862 /nfs/dbraw/zinc/61/58/62/1015615862.db2.gz HFYCYAWNZBDJAW-QGZVFWFLSA-N 0 3 328.362 3.532 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000178266901 1016926001 /nfs/dbraw/zinc/92/60/01/1016926001.db2.gz PKSAFXMJYNFGFH-HOTGVXAUSA-N 0 3 337.419 3.882 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](c3ccccc3C)C2)CC1 ZINC000376669435 1016967300 /nfs/dbraw/zinc/96/73/00/1016967300.db2.gz CMUVKDAFALFZSA-UAPYVXQJSA-N 0 3 341.499 3.581 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000538179405 1032199043 /nfs/dbraw/zinc/19/90/43/1032199043.db2.gz HYWWHRGNOJXVRP-OXQOHEQNSA-N 0 3 329.488 3.762 20 30 EHEDHN CC1(C)C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C(C)(C)O1 ZINC000536878674 1032382196 /nfs/dbraw/zinc/38/21/96/1032382196.db2.gz UMNYRXGRXRYILJ-OAHLLOKOSA-N 0 3 325.374 3.993 20 30 EHEDHN CC(C)(NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000594431468 1033369576 /nfs/dbraw/zinc/36/95/76/1033369576.db2.gz NINNDEYUHPFHOH-CQSZACIVSA-N 0 3 342.270 3.756 20 30 EHEDHN COc1ccc(Cn2nc(C)c(CNCC(C)(C)CC#N)c2C)cc1 ZINC000459739035 1032453364 /nfs/dbraw/zinc/45/33/64/1032453364.db2.gz YTLHCMUGDRFROH-UHFFFAOYSA-N 0 3 340.471 3.586 20 30 EHEDHN C=CCN(CC1CCCCC1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528719615 1032668481 /nfs/dbraw/zinc/66/84/81/1032668481.db2.gz KCEDAOIGAAUQKQ-UHFFFAOYSA-N 0 3 343.471 3.769 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2Cc3ccccc3[C@H]2CC)CC1 ZINC000892852297 1017584502 /nfs/dbraw/zinc/58/45/02/1017584502.db2.gz ZIKGICILOLZVNJ-LJQANCHMSA-N 0 3 327.472 3.703 20 30 EHEDHN CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)N(C)C ZINC000541130334 1017684836 /nfs/dbraw/zinc/68/48/36/1017684836.db2.gz BKDBCNBUSUQKON-KKSFZXQISA-N 0 3 349.478 3.989 20 30 EHEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000597858462 1032718942 /nfs/dbraw/zinc/71/89/42/1032718942.db2.gz LVBXZLQFAGZPOV-KRWDZBQOSA-N 0 3 347.462 3.828 20 30 EHEDHN CC1CCN([C@H](CNC(=O)NCCCCC#N)c2cccs2)CC1 ZINC000171413674 1018771610 /nfs/dbraw/zinc/77/16/10/1018771610.db2.gz OLRQGGMDYGAERL-MRXNPFEDSA-N 0 3 348.516 3.514 20 30 EHEDHN CCN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000129186236 1018965958 /nfs/dbraw/zinc/96/59/58/1018965958.db2.gz UKCWMADKAOMIFD-HXUWFJFHSA-N 0 3 348.450 3.687 20 30 EHEDHN N#Cc1ccc(CN2CCN([C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000060755333 1032815873 /nfs/dbraw/zinc/81/58/73/1032815873.db2.gz RKGIBBADOINGMP-JOCHJYFZSA-N 0 3 331.463 3.753 20 30 EHEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000182622814 1019716673 /nfs/dbraw/zinc/71/66/73/1019716673.db2.gz GUQDPIUFKPSXQR-AWEZNQCLSA-N 0 3 333.391 3.984 20 30 EHEDHN N#Cc1ccc(C2CCN(Cc3cccc4[nH]c(=O)oc43)CC2)cc1 ZINC000897588382 1032856718 /nfs/dbraw/zinc/85/67/18/1032856718.db2.gz ABAAAFZEXBWGLY-UHFFFAOYSA-N 0 3 333.391 3.785 20 30 EHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345302867 1020141586 /nfs/dbraw/zinc/14/15/86/1020141586.db2.gz SLPPZTDSZXRCBT-QLFBSQMISA-N 0 3 346.500 3.543 20 30 EHEDHN C[C@H](CCC#N)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000602444258 1032891851 /nfs/dbraw/zinc/89/18/51/1032891851.db2.gz DNTSNUPRVZJLTL-CYBMUJFWSA-N 0 3 349.862 3.636 20 30 EHEDHN N#Cc1csc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000610488693 1020569798 /nfs/dbraw/zinc/56/97/98/1020569798.db2.gz QUEPFSXHETUENZ-UHFFFAOYSA-N 0 3 340.448 3.950 20 30 EHEDHN Cn1cc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1C#N ZINC000581345449 1020718984 /nfs/dbraw/zinc/71/89/84/1020718984.db2.gz VNIPFFGGUDHUMV-OAHLLOKOSA-N 0 3 336.464 3.886 20 30 EHEDHN CC[C@](C)(C#N)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000507493192 1021305911 /nfs/dbraw/zinc/30/59/11/1021305911.db2.gz SJRAOBJPUVAJSU-UYAOXDASSA-N 0 3 327.472 3.516 20 30 EHEDHN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000439272164 1021307835 /nfs/dbraw/zinc/30/78/35/1021307835.db2.gz ZAEIBZLRUMMPPU-OAQYLSRUSA-N 0 3 338.451 3.730 20 30 EHEDHN CC(C)[C@H]1C[C@@H](NCc2cnc3c(C#N)cnn3c2)c2ccccc21 ZINC000592510630 1032995142 /nfs/dbraw/zinc/99/51/42/1032995142.db2.gz MSKNPFPKRPMBHJ-RTBURBONSA-N 0 3 331.423 3.575 20 30 EHEDHN N#CC1(CNC2CCN(C(=O)c3ccccc3Cl)CC2)CCCC1 ZINC000593653120 1032997228 /nfs/dbraw/zinc/99/72/28/1032997228.db2.gz CHSIGJXBIXRAFS-UHFFFAOYSA-N 0 3 345.874 3.618 20 30 EHEDHN C=CCNC(=O)[C@H](C)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000519876143 1021732311 /nfs/dbraw/zinc/73/23/11/1021732311.db2.gz XFQLMRVZXLHQRH-HNAYVOBHSA-N 0 3 342.870 3.904 20 30 EHEDHN N#CCCCOc1cccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000440113743 1021959799 /nfs/dbraw/zinc/95/97/99/1021959799.db2.gz ZEMKNKOYGNIVLF-IBGZPJMESA-N 0 3 341.455 3.715 20 30 EHEDHN CCN(Cc1cc(C#N)ccc1OC)[C@@H](COC)Cc1ccccc1 ZINC000437577841 1021963564 /nfs/dbraw/zinc/96/35/64/1021963564.db2.gz NHEPVXIRDBVCOG-HXUWFJFHSA-N 0 3 338.451 3.646 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000602604102 1033022615 /nfs/dbraw/zinc/02/26/15/1033022615.db2.gz WMLFUTUGOHZUNI-RTBURBONSA-N 0 3 345.462 3.975 20 30 EHEDHN CC1(C)CC[C@H](NC(=O)[C@H](N)CCCCC#N)[C@H](c2ccccc2)C1 ZINC000602613290 1033029168 /nfs/dbraw/zinc/02/91/68/1033029168.db2.gz PUOCUMQGBCFINM-OTWHNJEPSA-N 0 3 341.499 3.876 20 30 EHEDHN N#Cc1csc(CNCc2cccc(COCC(F)(F)F)c2)c1 ZINC000120900751 1022131642 /nfs/dbraw/zinc/13/16/42/1022131642.db2.gz RIOPAWYHDUGKST-UHFFFAOYSA-N 0 3 340.370 3.988 20 30 EHEDHN COc1cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc(OC)c1OC ZINC000266435087 1022159770 /nfs/dbraw/zinc/15/97/70/1022159770.db2.gz FDQJJMFITXKOQV-KGLIPLIRSA-N 0 3 340.423 3.996 20 30 EHEDHN CCC[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000341546941 1022240355 /nfs/dbraw/zinc/24/03/55/1022240355.db2.gz NHBKTRNLXAIMGI-ZWKOTPCHSA-N 0 3 327.472 3.834 20 30 EHEDHN C=CCCC1(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000341556324 1022309342 /nfs/dbraw/zinc/30/93/42/1022309342.db2.gz YLYNKHFTIDAPQL-QGZVFWFLSA-N 0 3 332.513 3.874 20 30 EHEDHN O=C(CN1CC[C@@H](C2CC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328940310 1022538311 /nfs/dbraw/zinc/53/83/11/1022538311.db2.gz KQSZYYWJUVQSGH-SJFHUFEGSA-N 0 3 345.487 3.558 20 30 EHEDHN CCOC(=O)c1ccc(CN[C@@H](CCCC#N)c2ccccc2)[nH]1 ZINC000602668861 1033066904 /nfs/dbraw/zinc/06/69/04/1033066904.db2.gz GKELUVMOSQAFCM-KRWDZBQOSA-N 0 3 325.412 3.716 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1C ZINC000330633846 1022636542 /nfs/dbraw/zinc/63/65/42/1022636542.db2.gz AUNKGXXNYUZSJV-IAGOWNOFSA-N 0 3 327.472 3.685 20 30 EHEDHN CC[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000438502594 1022715598 /nfs/dbraw/zinc/71/55/98/1022715598.db2.gz COQMZTDLWMQMIV-QZTJIDSGSA-N 0 3 327.472 3.671 20 30 EHEDHN CC[C@H](C)n1ncc(NC(=O)N2CCN(CCC(C)(C)C)CC2)c1C ZINC000331166144 1022758351 /nfs/dbraw/zinc/75/83/51/1022758351.db2.gz YEXKJWYMPMSXSS-HNNXBMFYSA-N 0 3 349.523 3.762 20 30 EHEDHN Cc1ccncc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000426168994 1023030566 /nfs/dbraw/zinc/03/05/66/1023030566.db2.gz XGHMBHPMOBPLLR-LLVKDONJSA-N 0 3 326.306 3.625 20 30 EHEDHN C[C@@H](CCc1ccccc1)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507163493 1023157286 /nfs/dbraw/zinc/15/72/86/1023157286.db2.gz GPPNNNKXMWYBDX-KRWDZBQOSA-N 0 3 337.442 3.841 20 30 EHEDHN N#CC1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000057879087 1023297959 /nfs/dbraw/zinc/29/79/59/1023297959.db2.gz BYBSDEQBQQWCIO-UHFFFAOYSA-N 0 3 326.227 3.558 20 30 EHEDHN CC1CCN([C@@H](CNC(=O)CCCCC#N)c2cccs2)CC1 ZINC000593947678 1033122586 /nfs/dbraw/zinc/12/25/86/1033122586.db2.gz KZXUSOIEGPJASO-INIZCTEOSA-N 0 3 333.501 3.721 20 30 EHEDHN C=CCc1cc(CN2CC[C@H](Nc3ccccc3)C2)cc(OC)c1O ZINC000092757838 1023651746 /nfs/dbraw/zinc/65/17/46/1023651746.db2.gz MHYAPCKAKFUOFI-IBGZPJMESA-N 0 3 338.451 3.816 20 30 EHEDHN N#CCC1(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 ZINC000602789462 1033161753 /nfs/dbraw/zinc/16/17/53/1033161753.db2.gz ZMRBUIOUAOQCBD-OAHLLOKOSA-N 0 3 340.402 3.749 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ncc(Br)cc1F ZINC000280956815 1024488579 /nfs/dbraw/zinc/48/85/79/1024488579.db2.gz YGZYYBWCPYKANS-PGUXBMHVSA-N 0 3 343.240 3.615 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000514529307 1024540794 /nfs/dbraw/zinc/54/07/94/1024540794.db2.gz TVFBCJIVAWDKPS-KGLIPLIRSA-N 0 3 338.398 3.528 20 30 EHEDHN CCCCC1(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000934208276 1024770016 /nfs/dbraw/zinc/77/00/16/1024770016.db2.gz YKOJYNVSQHFDQE-LBPRGKRZSA-N 0 3 331.485 3.748 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435345285 1024795571 /nfs/dbraw/zinc/79/55/71/1024795571.db2.gz DBKBWQRNJADCBN-UHFFFAOYSA-N 0 3 333.435 3.599 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000428044061 1024956327 /nfs/dbraw/zinc/95/63/27/1024956327.db2.gz IZRYPUAQPHKGKT-PKOBYXMFSA-N 0 3 330.447 3.605 20 30 EHEDHN C=CCCCCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000472136476 1025022597 /nfs/dbraw/zinc/02/25/97/1025022597.db2.gz MBOTUBJEZWBGEA-UHFFFAOYSA-N 0 3 344.503 3.615 20 30 EHEDHN COc1ccc(C2(NCc3cc(C#N)cs3)CCOCC2)cc1F ZINC000444016294 1025183466 /nfs/dbraw/zinc/18/34/66/1025183466.db2.gz DNAFTBGIBQLMDM-UHFFFAOYSA-N 0 3 346.427 3.563 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000896226314 1025260491 /nfs/dbraw/zinc/26/04/91/1025260491.db2.gz CYKCACNSKFQJRC-SWLSCSKDSA-N 0 3 342.336 3.844 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000436293742 1025555728 /nfs/dbraw/zinc/55/57/28/1025555728.db2.gz DPKDZLXGADOKBK-VDGAXYAQSA-N 0 3 326.415 3.881 20 30 EHEDHN Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000329031422 1025572946 /nfs/dbraw/zinc/57/29/46/1025572946.db2.gz PTCAULVLUNURQW-JEBQAFNWSA-N 0 3 341.455 3.839 20 30 EHEDHN Cc1ccc(C)c(N2CCN(CCCC3(C#N)CCOCC3)CC2)c1 ZINC000281914645 1025693742 /nfs/dbraw/zinc/69/37/42/1025693742.db2.gz GUYHRFRXJZINED-UHFFFAOYSA-N 0 3 341.499 3.526 20 30 EHEDHN COc1ccc2nc(C)cc(C(=O)N[C@@H](C)C3=CCN(C)CC3)c2c1 ZINC000329311276 1025745526 /nfs/dbraw/zinc/74/55/26/1025745526.db2.gz GEFGKFQGOCIGKV-AWEZNQCLSA-N 0 3 339.439 3.507 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1nccc(C#N)c1Cl ZINC000342352980 1025856495 /nfs/dbraw/zinc/85/64/95/1025856495.db2.gz VNMKBQMIHGKDLG-HNNXBMFYSA-N 0 3 340.858 3.707 20 30 EHEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000443324963 1025915495 /nfs/dbraw/zinc/91/54/95/1025915495.db2.gz ZHZUAPXPMYAGJD-CPUCHLNUSA-N 0 3 325.374 3.538 20 30 EHEDHN N#CCSCCCN1CC[C@H](c2cccc(Br)c2)C1 ZINC000451575368 1026127412 /nfs/dbraw/zinc/12/74/12/1026127412.db2.gz XOEKARDFPQWBDV-AWEZNQCLSA-N 0 3 339.302 3.885 20 30 EHEDHN CC(C)C[C@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000342666948 1026654204 /nfs/dbraw/zinc/65/42/04/1026654204.db2.gz UKLXNWMOIZTNJM-ZWKOTPCHSA-N 0 3 327.472 3.690 20 30 EHEDHN N#CCc1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000342702598 1026768919 /nfs/dbraw/zinc/76/89/19/1026768919.db2.gz ZDWRWEKIESEJHZ-SFHVURJKSA-N 0 3 326.465 3.995 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000472239677 1026902949 /nfs/dbraw/zinc/90/29/49/1026902949.db2.gz LMXYJCIVKUYGHN-FQEVSTJZSA-N 0 3 341.499 3.791 20 30 EHEDHN CN(CCOc1cccc(Cl)c1)CCOc1cccc(C#N)c1 ZINC000501472158 1027297420 /nfs/dbraw/zinc/29/74/20/1027297420.db2.gz MKSUWHGPHVHRAV-UHFFFAOYSA-N 0 3 330.815 3.601 20 30 EHEDHN N#CC1(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)CCCCC1 ZINC000104706150 1027550588 /nfs/dbraw/zinc/55/05/88/1027550588.db2.gz YNFNZFFXKJUXRU-IBGZPJMESA-N 0 3 343.446 3.599 20 30 EHEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)CC2CC2)c(OC)c1 ZINC000503218899 1027661208 /nfs/dbraw/zinc/66/12/08/1027661208.db2.gz QVQRRCFEUUBPGU-UHFFFAOYSA-N 0 3 336.435 3.988 20 30 EHEDHN N#Cc1ccccc1NC(=O)CCN[C@@H](CC(F)F)c1ccccc1 ZINC000420992142 1027971054 /nfs/dbraw/zinc/97/10/54/1027971054.db2.gz KDTMYOGUHSHRJF-KRWDZBQOSA-N 0 3 343.377 3.873 20 30 EHEDHN N#Cc1ccc(NC(=O)CCN[C@@H](CC(F)F)c2ccccc2)cc1 ZINC000420994657 1027974897 /nfs/dbraw/zinc/97/48/97/1027974897.db2.gz NHAWSYCCWDHDNZ-KRWDZBQOSA-N 0 3 343.377 3.873 20 30 EHEDHN CCN(CC(=O)N(CCC#N)c1cccc(C)c1C)C1CCCC1 ZINC000051907591 1028061464 /nfs/dbraw/zinc/06/14/64/1028061464.db2.gz RVUIPCSOFLELGT-UHFFFAOYSA-N 0 3 327.472 3.815 20 30 EHEDHN N#Cc1ccc(C2=CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000502534626 1028312119 /nfs/dbraw/zinc/31/21/19/1028312119.db2.gz PWNCPWIFZDNLGE-UHFFFAOYSA-N 0 3 333.391 3.798 20 30 EHEDHN C=CCN1C(=O)c2ccccc2NC12CCN(Cc1ccccc1)CC2 ZINC000069055626 1028417149 /nfs/dbraw/zinc/41/71/49/1028417149.db2.gz QHHYSOMFPNUTKV-UHFFFAOYSA-N 0 3 347.462 3.733 20 30 EHEDHN Clc1ccc(C[C@]2(NCC#Cc3ccccc3)CCOC2)cc1 ZINC000502604104 1028426226 /nfs/dbraw/zinc/42/62/26/1028426226.db2.gz ZHCHYYWYQZGCOU-HXUWFJFHSA-N 0 3 325.839 3.683 20 30 EHEDHN C=CC[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000523896295 1028698651 /nfs/dbraw/zinc/69/86/51/1028698651.db2.gz SYBVIXZFZHHKQU-HZPDHXFCSA-N 0 3 335.517 3.785 20 30 EHEDHN CCC[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424114878 1028812032 /nfs/dbraw/zinc/81/20/32/1028812032.db2.gz SPQAJXVAHFCZSB-CABCVRRESA-N 0 3 341.377 3.684 20 30 EHEDHN C=CCn1cc(CN[C@@H](C)CCCOc2ccc(Cl)c(C)c2)nn1 ZINC000424295255 1028936809 /nfs/dbraw/zinc/93/68/09/1028936809.db2.gz MPLHRDVSFCWIKH-HNNXBMFYSA-N 0 3 348.878 3.763 20 30 EHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000424330778 1028979698 /nfs/dbraw/zinc/97/96/98/1028979698.db2.gz RCUFBWVZVAEBJE-NJZAAPMLSA-N 0 3 335.245 3.945 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000524668273 1029426770 /nfs/dbraw/zinc/42/67/70/1029426770.db2.gz BIPIVLPEYYKDNA-QZTJIDSGSA-N 0 3 335.536 3.931 20 30 EHEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000192153003 1029603381 /nfs/dbraw/zinc/60/33/81/1029603381.db2.gz USPILAPPKGNZJZ-QGZVFWFLSA-N 0 3 326.371 3.709 20 30 EHEDHN N#Cc1cccc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000237852901 1029687341 /nfs/dbraw/zinc/68/73/41/1029687341.db2.gz MJHNQDARNINVGF-UHFFFAOYSA-N 0 3 334.419 3.889 20 30 EHEDHN COC[C@@H](NCCOc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000583464163 1029867996 /nfs/dbraw/zinc/86/79/96/1029867996.db2.gz HURFUDDLMMCAEM-GOSISDBHSA-N 0 3 330.815 3.568 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCO[C@]3(CCSC3)C2)c([O-])c1 ZINC000127698442 1029960121 /nfs/dbraw/zinc/96/01/21/1029960121.db2.gz YCBZVDXDJOUSKW-RJQOPERDSA-N 0 3 348.512 3.712 20 30 EHEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1CCC(C)C ZINC000160051365 1030503802 /nfs/dbraw/zinc/50/38/02/1030503802.db2.gz QKAVQAQOTMRPGA-HNNXBMFYSA-N 0 3 349.438 3.614 20 30 EHEDHN CCCCN(CC(=O)N(CC)C[C@H](C)C#N)[C@H](C)c1ccccc1 ZINC000532352104 1030577134 /nfs/dbraw/zinc/57/71/34/1030577134.db2.gz DQBGNZSHIDETRI-QZTJIDSGSA-N 0 3 329.488 3.858 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc3c(c2)OCCCO3)cc1 ZINC000161859813 1030593233 /nfs/dbraw/zinc/59/32/33/1030593233.db2.gz LQYMJKLLCSLJFG-MRXNPFEDSA-N 0 3 337.419 3.711 20 30 EHEDHN C=CCn1c(SCCN(C)Cc2ccccc2)nnc1C1CC1 ZINC000278535318 1031276010 /nfs/dbraw/zinc/27/60/10/1031276010.db2.gz JAUOESFZGWISEP-UHFFFAOYSA-N 0 3 328.485 3.566 20 30 EHEDHN C=CCN(CCCOc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000477137432 1031276587 /nfs/dbraw/zinc/27/65/87/1031276587.db2.gz MVQJWYRGVSRRKV-UHFFFAOYSA-N 0 3 331.419 3.887 20 30 EHEDHN CCN(CCC#N)C(=O)CN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000175435887 1031334521 /nfs/dbraw/zinc/33/45/21/1031334521.db2.gz ZIGWWKFJGIMCJW-HUUCEWRRSA-N 0 3 335.879 3.526 20 30 EHEDHN C=CC[C@H](C)NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000116927013 1031476890 /nfs/dbraw/zinc/47/68/90/1031476890.db2.gz FMXCZLSAAWZAHG-JTQLQIEISA-N 0 3 348.321 3.599 20 30 EHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H](n1cccn1)C(F)(F)F ZINC000527932470 1031496781 /nfs/dbraw/zinc/49/67/81/1031496781.db2.gz MUAQXATVLLLYCI-DLBZAZTESA-N 0 3 348.372 3.915 20 30 EHEDHN N#Cc1ccccc1OCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000477486974 1031588955 /nfs/dbraw/zinc/58/89/55/1031588955.db2.gz UNSWXPOGOQIGMV-KRWDZBQOSA-N 0 3 336.391 3.503 20 30 EHEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000084251954 1031618424 /nfs/dbraw/zinc/61/84/24/1031618424.db2.gz PKGWNYYXKXWKAP-UHFFFAOYSA-N 0 3 344.480 3.517 20 30 EHEDHN C[C@@H]1[C@H](NC(=O)Nc2cccc(CC#N)c2)CCN1Cc1ccccc1 ZINC000455904027 1031754633 /nfs/dbraw/zinc/75/46/33/1031754633.db2.gz JFPRWGKNMFVVEB-OXQOHEQNSA-N 0 3 348.450 3.537 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000573158119 1031995623 /nfs/dbraw/zinc/99/56/23/1031995623.db2.gz LNTFBIVERDTAOW-WBMJQRKESA-N 0 3 345.830 3.664 20 30 EHEDHN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@@H](O)CC(C)(C)C#N ZINC000598610455 1033323701 /nfs/dbraw/zinc/32/37/01/1033323701.db2.gz CFHXEWOWWQZRKN-DZGCQCFKSA-N 0 3 328.378 3.879 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cc(F)cc(C#N)c1)c1ccco1 ZINC000603070706 1033358492 /nfs/dbraw/zinc/35/84/92/1033358492.db2.gz RWVRDEVVBMXYMJ-LRDDRELGSA-N 0 3 344.390 3.541 20 30 EHEDHN Cc1ccc(CCC2CCN(C(=O)[C@@H](N)CCCCC#N)CC2)cc1 ZINC000594428943 1033366394 /nfs/dbraw/zinc/36/63/94/1033366394.db2.gz OXQYSZUQRSYOTQ-FQEVSTJZSA-N 0 3 341.499 3.578 20 30 EHEDHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1Oc1cccnc1 ZINC000594438858 1033374107 /nfs/dbraw/zinc/37/41/07/1033374107.db2.gz QBKVFINDGOVJKA-KRWDZBQOSA-N 0 3 338.411 3.532 20 30 EHEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1cccc(Cl)c1Cl ZINC000594448076 1033378197 /nfs/dbraw/zinc/37/81/97/1033378197.db2.gz ZUDRWRPYPZWQFM-GXFFZTMASA-N 0 3 328.243 3.582 20 30 EHEDHN CC(C)(C#N)c1ccc(CNCc2ccnc(N3CCCC3)c2)cc1 ZINC000594496064 1033396597 /nfs/dbraw/zinc/39/65/97/1033396597.db2.gz YPACJNMLOUFGKP-UHFFFAOYSA-N 0 3 334.467 3.773 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000106266368 1033563601 /nfs/dbraw/zinc/56/36/01/1033563601.db2.gz UZDKXXWNAKMNEI-SFHVURJKSA-N 0 3 347.890 3.667 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CC)c2ccccc2)CC1 ZINC000106275129 1033565924 /nfs/dbraw/zinc/56/59/24/1033565924.db2.gz ZRVMVKBYINDWBB-KRWDZBQOSA-N 0 3 329.488 3.520 20 30 EHEDHN Cn1cc(CNCc2ccc(C3(C#N)CC3)cc2)c(-c2ccccc2)n1 ZINC000594942751 1033591443 /nfs/dbraw/zinc/59/14/43/1033591443.db2.gz KZCMIHBZROIWIY-UHFFFAOYSA-N 0 3 342.446 3.932 20 30 EHEDHN C[C@H](CCc1ccccc1F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173968084 1033638259 /nfs/dbraw/zinc/63/82/59/1033638259.db2.gz UCXRCRJJLWZEOI-RHSMWYFYSA-N 0 3 338.382 3.742 20 30 EHEDHN N#CC1(CNC2CCC3(CC2)c2ccccc2NC3=O)CCCCC1 ZINC000595092218 1033701299 /nfs/dbraw/zinc/70/12/99/1033701299.db2.gz ZKMASJXLWFGOBK-UHFFFAOYSA-N 0 3 337.467 3.883 20 30 EHEDHN C=CCC1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCCC1 ZINC000450099039 1033736657 /nfs/dbraw/zinc/73/66/57/1033736657.db2.gz CEYCACCLHKNQDW-UHFFFAOYSA-N 0 3 342.483 3.718 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000574992573 1033754134 /nfs/dbraw/zinc/75/41/34/1033754134.db2.gz PKWVXKDVFFINGC-NRFANRHFSA-N 0 3 348.450 3.653 20 30 EHEDHN C=CCn1cc(CN[C@@H]2CCCC[C@H]2c2ccccc2Cl)nn1 ZINC000658037710 1033872243 /nfs/dbraw/zinc/87/22/43/1033872243.db2.gz IVBVIORTYAOHDU-FUHWJXTLSA-N 0 3 330.863 3.934 20 30 EHEDHN Cc1ccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1C#N ZINC000599348662 1033881031 /nfs/dbraw/zinc/88/10/31/1033881031.db2.gz IIXOUZBJOYXEKI-MRXNPFEDSA-N 0 3 333.435 3.844 20 30 EHEDHN Cc1ccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1C#N ZINC000599348659 1033882678 /nfs/dbraw/zinc/88/26/78/1033882678.db2.gz IIXOUZBJOYXEKI-INIZCTEOSA-N 0 3 333.435 3.844 20 30 EHEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000595616484 1033902113 /nfs/dbraw/zinc/90/21/13/1033902113.db2.gz RAMFFROFKUTADW-LBPRGKRZSA-N 0 3 340.254 3.948 20 30 EHEDHN Cc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1C#N ZINC000599366147 1033905150 /nfs/dbraw/zinc/90/51/50/1033905150.db2.gz KYUQCTNSIKMWRY-UHFFFAOYSA-N 0 3 348.372 3.919 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595603352 1033917856 /nfs/dbraw/zinc/91/78/56/1033917856.db2.gz MKGKGOFHZYENPQ-CZUORRHYSA-N 0 3 342.399 3.869 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000455981146 1034005027 /nfs/dbraw/zinc/00/50/27/1034005027.db2.gz GYTGUBYASLRYMF-FQEVSTJZSA-N 0 3 348.450 3.605 20 30 EHEDHN N#Cc1cc2cccnc2nc1NC1CCN(Cc2ccccc2)CC1 ZINC000596055359 1034057529 /nfs/dbraw/zinc/05/75/29/1034057529.db2.gz GGDWLKPCCZWTPJ-UHFFFAOYSA-N 0 3 343.434 3.578 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC2(CC2)CC1 ZINC000599672896 1034081261 /nfs/dbraw/zinc/08/12/61/1034081261.db2.gz IRQZDXHQKGATIT-KRWDZBQOSA-N 0 3 325.456 3.588 20 30 EHEDHN CCCCCCOCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000171698515 1034563171 /nfs/dbraw/zinc/56/31/71/1034563171.db2.gz HBHMALGMACTNGG-OAHLLOKOSA-N 0 3 336.819 3.584 20 30 EHEDHN COCc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1C#N ZINC000529815555 1034581291 /nfs/dbraw/zinc/58/12/91/1034581291.db2.gz DYDOQQXZFCTRFP-UHFFFAOYSA-N 0 3 349.434 3.553 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000179702259 1034586586 /nfs/dbraw/zinc/58/65/86/1034586586.db2.gz ZOZXAGVHPAHIFC-OAHLLOKOSA-N 0 3 336.439 3.509 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(-n3cccn3)cc2)cc1 ZINC000172114005 1034819995 /nfs/dbraw/zinc/81/99/95/1034819995.db2.gz JKSHSNMDJQBFQP-UHFFFAOYSA-N 0 3 331.419 3.564 20 30 EHEDHN C=C(CN[C@H](C)c1ccccc1OCC(=O)OC)c1ccccc1 ZINC000612407639 1034890968 /nfs/dbraw/zinc/89/09/68/1034890968.db2.gz VTRMMXCCHMFSMZ-MRXNPFEDSA-N 0 3 325.408 3.602 20 30 EHEDHN CCCc1ccc([C@@H](C)N(CCCC(C)(C)C#N)CC(N)=O)cc1 ZINC000472432109 1034977285 /nfs/dbraw/zinc/97/72/85/1034977285.db2.gz NXJCOKXJULMRSM-MRXNPFEDSA-N 0 3 329.488 3.817 20 30 EHEDHN C#CCN(C(=O)N[C@H](C)c1ccc2ccccc2c1)C1CCN(C)CC1 ZINC000913886731 1035608012 /nfs/dbraw/zinc/60/80/12/1035608012.db2.gz KGIVHKCBCOVWLO-QGZVFWFLSA-N 0 3 349.478 3.640 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCC[C@@H](C)C1 ZINC000187908632 1035865811 /nfs/dbraw/zinc/86/58/11/1035865811.db2.gz CBPJOUNGUBUARQ-CVEARBPZSA-N 0 3 331.435 3.583 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2cccc([C@@H]3CCCOC3)c2)n1 ZINC000535042657 1035924964 /nfs/dbraw/zinc/92/49/64/1035924964.db2.gz VSYFVJWXDUBFBD-HZPDHXFCSA-N 0 3 326.421 3.836 20 30 EHEDHN CCN(Cc1ccc(-n2cncn2)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000535080752 1036007056 /nfs/dbraw/zinc/00/70/56/1036007056.db2.gz GDHQKFWKXSZFSG-OAHLLOKOSA-N 0 3 349.413 3.861 20 30 EHEDHN Cc1nccn1-c1ccc(CNCc2ccc(C#N)c(C)c2)cc1F ZINC000443976742 1036142215 /nfs/dbraw/zinc/14/22/15/1036142215.db2.gz FTVPFYCXOVUECN-UHFFFAOYSA-N 0 3 334.398 3.790 20 30 EHEDHN CC(C)C[C@@H](NCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000541626871 1036515021 /nfs/dbraw/zinc/51/50/21/1036515021.db2.gz FXXPAQDVWAJLAL-CYBMUJFWSA-N 0 3 333.482 3.997 20 30 EHEDHN CC[C@@H](N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(C#N)cc1 ZINC000414313635 1036610092 /nfs/dbraw/zinc/61/00/92/1036610092.db2.gz KMEOAEMHNLTQPF-RTBURBONSA-N 0 3 337.398 3.544 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc(Cl)ccc2OCCC)CC1 ZINC000176523173 1036636733 /nfs/dbraw/zinc/63/67/33/1036636733.db2.gz FHMZPVBUYXSVTB-UHFFFAOYSA-N 0 3 336.863 3.509 20 30 EHEDHN Cn1c2ccccc2cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1=O ZINC000589949711 1036677927 /nfs/dbraw/zinc/67/79/27/1036677927.db2.gz JKCMQMPCEPDWRH-HXUWFJFHSA-N 0 3 343.430 3.577 20 30 EHEDHN CC(C)N1CCCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000590037607 1036721075 /nfs/dbraw/zinc/72/10/75/1036721075.db2.gz XNOTWQWJFOWFNR-UHFFFAOYSA-N 0 3 346.474 3.643 20 30 EHEDHN COc1cc(OC)c(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c(OC)c1 ZINC000590153461 1036776281 /nfs/dbraw/zinc/77/62/81/1036776281.db2.gz YSXOPSFYVKFZMZ-ZBFHGGJFSA-N 0 3 344.455 3.584 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659042074 1036974419 /nfs/dbraw/zinc/97/44/19/1036974419.db2.gz SDOXEQNSHUHKMT-MNEFBYGVSA-N 0 3 343.471 3.604 20 30 EHEDHN COCCN(CCc1cccc(F)c1F)Cc1ccc(C#N)cc1 ZINC000542277624 1037236929 /nfs/dbraw/zinc/23/69/29/1037236929.db2.gz YRCPEVOOWCRQQC-UHFFFAOYSA-N 0 3 330.378 3.528 20 30 EHEDHN Cc1c(Cl)cnc(NC[C@H](c2cccc(F)c2)N(C)C)c1C#N ZINC000542281741 1037242578 /nfs/dbraw/zinc/24/25/78/1037242578.db2.gz HHOBLIKFKCKVKM-MRXNPFEDSA-N 0 3 332.810 3.769 20 30 EHEDHN Cc1cc(C(F)(F)F)ccc1CNCc1cnc2ccc(C#N)cn12 ZINC000188914892 1037563577 /nfs/dbraw/zinc/56/35/77/1037563577.db2.gz JLVJZVDJQOGHCW-UHFFFAOYSA-N 0 3 344.340 3.823 20 30 EHEDHN N#C[C@@H](c1ccccc1)N1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463103067 1037772929 /nfs/dbraw/zinc/77/29/29/1037772929.db2.gz HEYGFLIIZLIVIF-FKBYEOEOSA-N 0 3 331.463 3.673 20 30 EHEDHN COCCN(CCCCC#N)Cc1ccc(Br)s1 ZINC000494061582 1037805210 /nfs/dbraw/zinc/80/52/10/1037805210.db2.gz XXGILSHKGLDRGS-UHFFFAOYSA-N 0 3 331.279 3.653 20 30 EHEDHN CCCN(C(=O)N[C@H](CCCC#N)c1ccccc1)[C@@H]1CCN(C)C1 ZINC000592024913 1037808230 /nfs/dbraw/zinc/80/82/30/1037808230.db2.gz HEBQKSYISZENIK-RTBURBONSA-N 0 3 342.487 3.547 20 30 EHEDHN C[C@H](NCCOc1ccccc1C#N)c1ccccc1OC(F)F ZINC000540346492 1037849678 /nfs/dbraw/zinc/84/96/78/1037849678.db2.gz DIZACQNCUHMPGI-ZDUSSCGKSA-N 0 3 332.350 3.889 20 30 EHEDHN COc1ccccc1[C@@H](CNc1cccc(F)c1C#N)N1CCCC1 ZINC000104909352 1037897667 /nfs/dbraw/zinc/89/76/67/1037897667.db2.gz KVSILJPNGNQLJD-LJQANCHMSA-N 0 3 339.414 3.955 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)C2CCC2)CC1 ZINC000592296076 1037913383 /nfs/dbraw/zinc/91/33/83/1037913383.db2.gz YGTOKJJBEQQLOT-HXUWFJFHSA-N 0 3 341.499 3.868 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000163884675 1037926474 /nfs/dbraw/zinc/92/64/74/1037926474.db2.gz ISEMUDRITOJWHT-QGZVFWFLSA-N 0 3 348.446 3.676 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCCC23CCCC3)CC1 ZINC000463339838 1038064934 /nfs/dbraw/zinc/06/49/34/1038064934.db2.gz KMZOGTGZPHTKGY-SFHVURJKSA-N 0 3 333.520 3.829 20 30 EHEDHN C=CCOc1ccc(CN(C[C@@H](O)C(F)(F)F)C(C)(C)C)cc1 ZINC000461395814 1038392123 /nfs/dbraw/zinc/39/21/23/1038392123.db2.gz IOUKNRIQXWEMHR-OAHLLOKOSA-N 0 3 331.378 3.775 20 30 EHEDHN C[C@H](NCC#Cc1ccccc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000893206841 1038483776 /nfs/dbraw/zinc/48/37/76/1038483776.db2.gz HRZNNSNCOXPGFZ-CVDCTZTESA-N 0 3 349.474 3.953 20 30 EHEDHN CC(C)Oc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000539264859 1038756274 /nfs/dbraw/zinc/75/62/74/1038756274.db2.gz FLQDHHVTEINPKZ-TWOQFEAHSA-N 0 3 345.487 3.567 20 30 EHEDHN Cc1cc(CN(CCCO)Cc2cccc(Cl)c2)ccc1C#N ZINC000488133010 1038900004 /nfs/dbraw/zinc/90/00/04/1038900004.db2.gz YDDXZISHEUOCQZ-UHFFFAOYSA-N 0 3 328.843 3.905 20 30 EHEDHN C=CCC1(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)CCC1 ZINC000477886474 1038999924 /nfs/dbraw/zinc/99/99/24/1038999924.db2.gz JQIVTFAOJDCEIT-LJQANCHMSA-N 0 3 344.499 3.941 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](c1ccccc1C)C(C)C ZINC000488706462 1039340229 /nfs/dbraw/zinc/34/02/29/1039340229.db2.gz CPYVBPUWGSVSHO-JXFKEZNVSA-N 0 3 329.488 3.632 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000249403088 1039636471 /nfs/dbraw/zinc/63/64/71/1039636471.db2.gz VSTAFWVTTXNGFJ-MJGOQNOKSA-N 0 3 347.462 3.761 20 30 EHEDHN C#CCCCCC(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000843696762 1039649226 /nfs/dbraw/zinc/64/92/26/1039649226.db2.gz ZVJNMYPFMWHZQC-FQEVSTJZSA-N 0 3 326.484 3.692 20 30 EHEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCC(=O)N2 ZINC000417370305 1039740535 /nfs/dbraw/zinc/74/05/35/1039740535.db2.gz SGHGQPQELYJFCE-UGSOOPFHSA-N 0 3 347.418 3.617 20 30 EHEDHN C=CCOc1c(Cl)cc(CN2CC[C@H](CO)[C@@H]2CC)cc1OC ZINC000628298189 1039907999 /nfs/dbraw/zinc/90/79/99/1039907999.db2.gz XIFVEGZSRADOIL-ZBFHGGJFSA-N 0 3 339.863 3.506 20 30 EHEDHN Cc1ccc([C@@H]2C[C@H](C)N([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)cc1 ZINC000490106989 1040346203 /nfs/dbraw/zinc/34/62/03/1040346203.db2.gz ZNXGKKXIPFZTND-GMLUQMLDSA-N 0 3 341.499 3.616 20 30 EHEDHN C[C@H](NCCc1cc(F)cc2c1OCOC2)c1ccc(C#N)cc1F ZINC000512643008 1040367371 /nfs/dbraw/zinc/36/73/71/1040367371.db2.gz UVAMNQOOCIEURG-LBPRGKRZSA-N 0 3 344.361 3.596 20 30 EHEDHN CC(C)(C#N)c1ccc(CNC(C)(C)C(=O)NCC2CCCC2)cc1 ZINC000614176894 1040382887 /nfs/dbraw/zinc/38/28/87/1040382887.db2.gz SMYLDFGAPMIPCE-UHFFFAOYSA-N 0 3 341.499 3.662 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000433011954 1040424401 /nfs/dbraw/zinc/42/44/01/1040424401.db2.gz IBBFCDCGKRVSGG-MRXNPFEDSA-N 0 3 342.830 3.698 20 30 EHEDHN C[C@H](NCCc1ccn(-c2ccccc2)n1)c1ccc(C#N)cc1F ZINC000512661764 1040424427 /nfs/dbraw/zinc/42/44/27/1040424427.db2.gz UCZLMGWVHNZFCN-HNNXBMFYSA-N 0 3 334.398 3.776 20 30 EHEDHN Cc1ccc2nc(CN[C@H](CCCC#N)c3ccccc3)cc(=O)n2c1 ZINC000433009369 1040438128 /nfs/dbraw/zinc/43/81/28/1040438128.db2.gz HHBOVWNXAWEZNF-LJQANCHMSA-N 0 3 346.434 3.528 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1CCCc1ccccc1 ZINC000486784127 1040442338 /nfs/dbraw/zinc/44/23/38/1040442338.db2.gz WVOCFUFXAILUHL-CTNGQTDRSA-N 0 3 341.499 3.528 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000433030917 1040506713 /nfs/dbraw/zinc/50/67/13/1040506713.db2.gz LODRFQPIXROHMJ-GOSISDBHSA-N 0 3 325.387 3.789 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000051797532 1040507467 /nfs/dbraw/zinc/50/74/67/1040507467.db2.gz UQQYEJJSKONDKC-GHTZIAJQSA-N 0 3 349.478 3.568 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)n([C@@H]3CCCOC3)c2C)n1 ZINC000626283284 1040613339 /nfs/dbraw/zinc/61/33/39/1040613339.db2.gz OGFHIQWULJXUNB-ZBFHGGJFSA-N 0 3 343.452 3.711 20 30 EHEDHN CCOC(=O)c1[nH]c(C)c(CN(C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000600167236 1040752512 /nfs/dbraw/zinc/75/25/12/1040752512.db2.gz QKMMDMFLEOVFPD-OAHLLOKOSA-N 0 3 339.439 3.873 20 30 EHEDHN N#CC(C(=O)C=Cc1ccc(Cl)s1)c1nnc2n1CCCCC2 ZINC000054726519 1040982173 /nfs/dbraw/zinc/98/21/73/1040982173.db2.gz IJMDUQIYVWDCCM-HOSRBBHYSA-N 0 3 346.843 3.609 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000481687553 1041252398 /nfs/dbraw/zinc/25/23/98/1041252398.db2.gz BDQXDDWANDEHDG-SJORKVTESA-N 0 3 335.536 3.931 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](CCF)C1 ZINC000661692506 1042233468 /nfs/dbraw/zinc/23/34/68/1042233468.db2.gz OEHWMURGFNEVTA-JKSUJKDBSA-N 0 3 338.492 3.723 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663235668 1042579058 /nfs/dbraw/zinc/57/90/58/1042579058.db2.gz LEJGHJDBOCPXTB-BJWYYQGGSA-N 0 3 346.544 3.631 20 30 EHEDHN N#Cc1ccncc1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000094159301 1042854839 /nfs/dbraw/zinc/85/48/39/1042854839.db2.gz BTBJWUDXOANPTR-INIZCTEOSA-N 0 3 346.356 3.658 20 30 EHEDHN N#Cc1ccc(N2CCN(C[C@@H]3C[C@@H]3c3ccccc3)CC2)c(F)c1 ZINC000512247320 1044388364 /nfs/dbraw/zinc/38/83/64/1044388364.db2.gz XOEPWKTXMDIDPN-RBUKOAKNSA-N 0 3 335.426 3.623 20 30 EHEDHN C=CCOc1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1OC ZINC000344849727 1044528272 /nfs/dbraw/zinc/52/82/72/1044528272.db2.gz VCTYJZYMPVFZOQ-IBGZPJMESA-N 0 3 343.471 3.871 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)CC1 ZINC000279763209 1044542329 /nfs/dbraw/zinc/54/23/29/1044542329.db2.gz FVEOZVIEEIMLGO-UHFFFAOYSA-N 0 3 336.435 3.847 20 30 EHEDHN C=C(C)CN1CCC(NC(=S)N[C@H](CC)c2cccs2)CC1 ZINC000734377771 1131230691 /nfs/dbraw/zinc/23/06/91/1131230691.db2.gz LWGYKJXGJBLOHC-OAHLLOKOSA-N 0 3 337.558 3.704 20 30 EHEDHN C=CCC[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000180044185 1127113530 /nfs/dbraw/zinc/11/35/30/1127113530.db2.gz PPPABVRJMUFWCQ-MRXNPFEDSA-N 0 3 325.437 3.855 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000180286790 1127140379 /nfs/dbraw/zinc/14/03/79/1127140379.db2.gz FELNJMGJJDLELY-UXHICEINSA-N 0 3 345.462 3.701 20 30 EHEDHN CCCC[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(OC)cc1 ZINC000182143710 1127314077 /nfs/dbraw/zinc/31/40/77/1127314077.db2.gz BPXBUIVGGRPDAQ-UYAOXDASSA-N 0 3 345.487 3.571 20 30 EHEDHN C[C@H](NC(=O)Nc1cc(C#N)ccc1F)[C@H](c1ccccc1)N(C)C ZINC000888365041 1127952685 /nfs/dbraw/zinc/95/26/85/1127952685.db2.gz WZECYOGFDZFQIO-SCLBCKFNSA-N 0 3 340.402 3.510 20 30 EHEDHN C[C@H](NC[C@](C)(O)c1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000765812142 1128429727 /nfs/dbraw/zinc/42/97/27/1128429727.db2.gz AFZNBRZZJVASOO-SGTLLEGYSA-N 0 3 332.806 3.909 20 30 EHEDHN COc1cccc([C@H](CNc2cc(Cl)ccc2C#N)N(C)C)c1 ZINC000301151583 1128575361 /nfs/dbraw/zinc/57/53/61/1128575361.db2.gz KNLDYNGARMNVDS-SFHVURJKSA-N 0 3 329.831 3.935 20 30 EHEDHN N#Cc1cccc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000301294647 1128583116 /nfs/dbraw/zinc/58/31/16/1128583116.db2.gz WVRLVMCTXJKQDZ-KRWDZBQOSA-N 0 3 326.831 3.856 20 30 EHEDHN COc1ccc([C@@H](CNc2ccc(C#N)nc2)N2CCCCC2)cc1 ZINC000301588990 1128597531 /nfs/dbraw/zinc/59/75/31/1128597531.db2.gz PXVPUPAJQGGFQR-HXUWFJFHSA-N 0 3 336.439 3.601 20 30 EHEDHN Cc1cc(C)c(C#N)c(NC[C@H](c2cccs2)N2CCCC2)n1 ZINC000302222170 1128627328 /nfs/dbraw/zinc/62/73/28/1128627328.db2.gz NMDKOFZQHNAVMU-MRXNPFEDSA-N 0 3 326.469 3.881 20 30 EHEDHN N#CCC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000542855213 1128696299 /nfs/dbraw/zinc/69/62/99/1128696299.db2.gz ZMGOOQBWFVRRNR-UHFFFAOYSA-N 0 3 325.368 3.980 20 30 EHEDHN Cc1ccccc1CN1CCCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000109809859 1128752115 /nfs/dbraw/zinc/75/21/15/1128752115.db2.gz IOHXLVIRFSXTTA-UHFFFAOYSA-N 0 3 341.405 3.857 20 30 EHEDHN C=CC[C@H]1CCCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC001648907739 1120074595 /nfs/dbraw/zinc/07/45/95/1120074595.db2.gz IACZWOZGQAZDFF-LPHOPBHVSA-N 0 3 330.472 3.549 20 30 EHEDHN CC(C)N1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000191404189 1120672046 /nfs/dbraw/zinc/67/20/46/1120672046.db2.gz JKJBHFVSEFCZQB-UHFFFAOYSA-N 0 3 347.506 3.912 20 30 EHEDHN C=CCNC(=O)CN[C@H](CCCc1ccccc1)c1ccc(F)cc1 ZINC000494810112 1120851211 /nfs/dbraw/zinc/85/12/11/1120851211.db2.gz IDMIYQOWIXCBSF-HXUWFJFHSA-N 0 3 340.442 3.782 20 30 EHEDHN C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(C#N)cc1F ZINC000495281165 1121036162 /nfs/dbraw/zinc/03/61/62/1121036162.db2.gz JZKWTPRDUPIQDG-YVEFUNNKSA-N 0 3 347.434 3.651 20 30 EHEDHN C#CCOc1ccc(Br)cc1CNCCc1ccc(C)o1 ZINC000915229196 1121266134 /nfs/dbraw/zinc/26/61/34/1121266134.db2.gz ZGINOTMHVKJLKZ-UHFFFAOYSA-N 0 3 348.240 3.695 20 30 EHEDHN CC(C)(C)OC(=O)NC(=CNNc1ccccc1)CC(F)(F)F ZINC000495653461 1121338586 /nfs/dbraw/zinc/33/85/86/1121338586.db2.gz BLJGDSIAFCPOQU-GFCCVEGCSA-N 0 3 331.338 3.930 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2ccccc2Cl)CC1 ZINC000171740987 1121696698 /nfs/dbraw/zinc/69/66/98/1121696698.db2.gz SHRIXICRRQGEGI-AWEZNQCLSA-N 0 3 335.879 3.693 20 30 EHEDHN C=CCNC(=O)[C@H](C)N[C@@H](Cc1ccccc1)c1sccc1C ZINC000122767568 1121725399 /nfs/dbraw/zinc/72/53/99/1121725399.db2.gz JWKLQBPXECZYQG-RDJZCZTQSA-N 0 3 328.481 3.621 20 30 EHEDHN C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)Cc2ccccc21 ZINC000916152122 1122080630 /nfs/dbraw/zinc/08/06/30/1122080630.db2.gz NSTDMJQHPDWLTL-CYBMUJFWSA-N 0 3 325.437 3.568 20 30 EHEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000496950189 1122217164 /nfs/dbraw/zinc/21/71/64/1122217164.db2.gz PAVKQKAHHCDVJP-UPJWGTAASA-N 0 3 335.423 3.650 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000916878444 1122377849 /nfs/dbraw/zinc/37/78/49/1122377849.db2.gz WTATVPPOAMOBDH-QAPCUYQASA-N 0 3 344.455 3.593 20 30 EHEDHN C[C@@H]1Cc2ccccc2N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916966442 1122423469 /nfs/dbraw/zinc/42/34/69/1122423469.db2.gz GVMCOGILBSYSPG-UKRRQHHQSA-N 0 3 347.443 3.924 20 30 EHEDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1NCC1(C#N)CC1 ZINC000497287329 1122436156 /nfs/dbraw/zinc/43/61/56/1122436156.db2.gz VFRYIGIPKZKXDQ-GVDBMIGSSA-N 0 3 347.503 3.838 20 30 EHEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(Cl)cc2)C2CCCC2)C1=O ZINC000499599265 1129065038 /nfs/dbraw/zinc/06/50/38/1129065038.db2.gz BIEICPYVRYXRIJ-ZWKOTPCHSA-N 0 3 332.875 3.948 20 30 EHEDHN C=CCC[C@H](O)CN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000128557326 1122624086 /nfs/dbraw/zinc/62/40/86/1122624086.db2.gz UGBZJHCTWALOJN-ICSRJNTNSA-N 0 3 329.415 3.840 20 30 EHEDHN C=CCN1CC[C@@H](N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)C1=O ZINC000499605267 1129072968 /nfs/dbraw/zinc/07/29/68/1129072968.db2.gz IXYAGHYAMIKREE-CVEARBPZSA-N 0 3 340.389 3.779 20 30 EHEDHN N#CCN1CCC(NCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000609335165 1123551626 /nfs/dbraw/zinc/55/16/26/1123551626.db2.gz XCUMUIZFIQFBAV-UHFFFAOYSA-N 0 3 346.887 3.541 20 30 EHEDHN C=CCN(CCC(=O)N(C)c1ccccc1)Cc1cccc(C#N)c1 ZINC000135008142 1123573046 /nfs/dbraw/zinc/57/30/46/1123573046.db2.gz KTJTUUCJLUWBEU-UHFFFAOYSA-N 0 3 333.435 3.599 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)cc1)c1nc2cc(F)ccc2s1 ZINC000609627627 1123629573 /nfs/dbraw/zinc/62/95/73/1123629573.db2.gz YQPZULRWWRIOBA-LBPRGKRZSA-N 0 3 329.331 3.820 20 30 EHEDHN N#Cc1ccc(CCC(=O)N(CCN2CCCC2)c2ccccc2)cc1 ZINC000610051622 1123723193 /nfs/dbraw/zinc/72/31/93/1123723193.db2.gz ZUSKYEHFRFHONB-UHFFFAOYSA-N 0 3 347.462 3.620 20 30 EHEDHN Cn1cccc1C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000068348884 1123920857 /nfs/dbraw/zinc/92/08/57/1123920857.db2.gz VKRRIPHGSCGHDL-SNVBAGLBSA-N 0 3 343.358 3.917 20 30 EHEDHN C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@@H](C)CN1Cc1ccccc1 ZINC000499651044 1129156247 /nfs/dbraw/zinc/15/62/47/1129156247.db2.gz AAVSBZMZGPKTDW-CABCVRRESA-N 0 3 340.858 3.706 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC000763477509 1123999856 /nfs/dbraw/zinc/99/98/56/1123999856.db2.gz GJJMLFAIWLKMJQ-QFIPXVFZSA-N 0 3 343.430 3.862 20 30 EHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000068826925 1124034476 /nfs/dbraw/zinc/03/44/76/1124034476.db2.gz POUHPRWFTFRDEU-LJQANCHMSA-N 0 3 326.827 3.933 20 30 EHEDHN C[C@H](c1cccc(Cl)c1)N(C)C[C@@H](O)COc1ccccc1C#N ZINC000324857273 1124819463 /nfs/dbraw/zinc/81/94/63/1124819463.db2.gz GSMLCTZEJOPFDI-RDTXWAMCSA-N 0 3 344.842 3.644 20 30 EHEDHN C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)S1 ZINC000092540383 1125126497 /nfs/dbraw/zinc/12/64/97/1125126497.db2.gz BHWNWFSNHURYIR-HOTGVXAUSA-N 0 3 340.496 3.790 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000466367589 1129406383 /nfs/dbraw/zinc/40/63/83/1129406383.db2.gz WZNQHPCFKSPQEY-HKUYNNGSSA-N 0 3 329.488 3.647 20 30 EHEDHN C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc2c(c1)CCCC2 ZINC000499719163 1129409972 /nfs/dbraw/zinc/40/99/72/1129409972.db2.gz JMPJZNIUKDXMGQ-INIZCTEOSA-N 0 3 339.483 3.559 20 30 EHEDHN N#Cc1ccc(CNCc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000069671352 1129472926 /nfs/dbraw/zinc/47/29/26/1129472926.db2.gz WXEXMKUJBASXGH-UHFFFAOYSA-N 0 3 331.375 3.693 20 30 EHEDHN Cc1ccc(CN2CCSCC2)cc1NCc1ccc(C#N)o1 ZINC000125409589 1129688811 /nfs/dbraw/zinc/68/88/11/1129688811.db2.gz GXHNTFMMCZQVAQ-UHFFFAOYSA-N 0 3 327.453 3.621 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)CC1 ZINC000171717959 1130082060 /nfs/dbraw/zinc/08/20/60/1130082060.db2.gz MVJOALWIWKFYJI-QGZVFWFLSA-N 0 3 344.499 3.652 20 30 EHEDHN C=CCN1CCC(NC(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000729942152 1130657174 /nfs/dbraw/zinc/65/71/74/1130657174.db2.gz BQIQORYPEXUQCR-UHFFFAOYSA-N 0 3 343.418 3.642 20 30 EHEDHN C[C@@H]1CCC[C@@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000731213075 1130777698 /nfs/dbraw/zinc/77/76/98/1130777698.db2.gz HDMHPPACZIVMRT-MGPQQGTHSA-N 0 3 327.453 3.735 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000732593726 1130936772 /nfs/dbraw/zinc/93/67/72/1130936772.db2.gz RGNVEGQBXNZUEX-QAPCUYQASA-N 0 3 343.430 3.945 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(F)c(Br)c2)cc1 ZINC000733325942 1131026214 /nfs/dbraw/zinc/02/62/14/1131026214.db2.gz ADJLGNYPNKIEML-UHFFFAOYSA-N 0 3 348.215 3.890 20 30 EHEDHN Cc1cccc(N2CCC[C@@]3(C2)CN([C@@H](C)CCCC#N)CCO3)c1 ZINC001172495667 1131759307 /nfs/dbraw/zinc/75/93/07/1131759307.db2.gz SLHCCUWWFLIGJD-FPOVZHCZSA-N 0 3 341.499 3.749 20 30 EHEDHN C=CCOC(=O)N1CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172550416 1131767090 /nfs/dbraw/zinc/76/70/90/1131767090.db2.gz VXWLOFZRGFBZFD-RTBURBONSA-N 0 3 328.456 3.653 20 30 EHEDHN CCCC[C@H]1C[C@H](NCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001172628245 1131794251 /nfs/dbraw/zinc/79/42/51/1131794251.db2.gz UIXDGOOUEZHFEI-CVEARBPZSA-N 0 3 335.492 3.838 20 30 EHEDHN CC(C)OC(=O)CC[C@H](C)N1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001172761098 1131837541 /nfs/dbraw/zinc/83/75/41/1131837541.db2.gz DLXLYWYVVZYWFG-LPHOPBHVSA-N 0 3 344.455 3.522 20 30 EHEDHN C[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2)CN1C(=O)OC(C)(C)C ZINC001173069698 1131953789 /nfs/dbraw/zinc/95/37/89/1131953789.db2.gz JTAXGJLWLXNANJ-MAUKXSAKSA-N 0 3 343.471 3.778 20 30 EHEDHN CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC(CC#N)CC1 ZINC001173337232 1132052522 /nfs/dbraw/zinc/05/25/22/1132052522.db2.gz CFBLSXWLTPZLOZ-CGZBRXJRSA-N 0 3 335.492 3.790 20 30 EHEDHN C[C@@H]1CN(C2CCC(CC#N)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001173337247 1132053402 /nfs/dbraw/zinc/05/34/02/1132053402.db2.gz CYEFOFHWMXELHG-RYTJFDOTSA-N 0 3 335.492 3.789 20 30 EHEDHN C[C@@H](CCc1ccc(Cl)c(Cl)c1)N1CCN(CCC#N)CC1 ZINC001173553331 1132090589 /nfs/dbraw/zinc/09/05/89/1132090589.db2.gz GXBVKRKHWNTPLR-AWEZNQCLSA-N 0 3 340.298 3.846 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2C1CCC(C)(C#N)CC1 ZINC001173593694 1132097525 /nfs/dbraw/zinc/09/75/25/1132097525.db2.gz LZDRTOKOALGVHB-BHEGOAEISA-N 0 3 333.476 3.543 20 30 EHEDHN CC(C)C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000745986665 1132344045 /nfs/dbraw/zinc/34/40/45/1132344045.db2.gz OFISYPLBJARVQV-LSDHHAIUSA-N 0 3 341.480 3.841 20 30 EHEDHN C#CCCCN[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000766723723 1132770668 /nfs/dbraw/zinc/77/06/68/1132770668.db2.gz DCKLBEFAEARRRO-FQEVSTJZSA-N 0 3 327.399 3.935 20 30 EHEDHN CC(C)[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000103329986 1132824256 /nfs/dbraw/zinc/82/42/56/1132824256.db2.gz QDGQNVWCYHOMOE-RBUKOAKNSA-N 0 3 340.467 3.974 20 30 EHEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC001169900697 1132892575 /nfs/dbraw/zinc/89/25/75/1132892575.db2.gz NYDGKQWQCAYJDF-RBUKOAKNSA-N 0 3 344.842 3.565 20 30 EHEDHN N#Cc1cccc(NC(=O)CN[C@H]2CCc3cccc4cccc2c43)c1 ZINC001176333298 1132901625 /nfs/dbraw/zinc/90/16/25/1132901625.db2.gz CUQSWTPINXOQPN-FQEVSTJZSA-N 0 3 341.414 3.927 20 30 EHEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC001176432345 1132927781 /nfs/dbraw/zinc/92/77/81/1132927781.db2.gz HMIUWNNVZYXSGQ-QFIPXVFZSA-N 0 3 346.474 3.795 20 30 EHEDHN COc1ccc(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1OC ZINC000768168292 1133104268 /nfs/dbraw/zinc/10/42/68/1133104268.db2.gz HTIHPOSENNRFDZ-HNNXBMFYSA-N 0 3 340.423 3.627 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1nc2ccccc2nc1Cl ZINC001177904869 1133110754 /nfs/dbraw/zinc/11/07/54/1133110754.db2.gz TWWRHYAKMSPWPU-JTQLQIEISA-N 0 3 342.811 3.666 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CC[C@@H](C)SC ZINC000773768284 1133194722 /nfs/dbraw/zinc/19/47/22/1133194722.db2.gz FFMYQPNKOBGBIH-CZUORRHYSA-N 0 3 346.496 3.990 20 30 EHEDHN C#CCOc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000770380544 1133417203 /nfs/dbraw/zinc/41/72/03/1133417203.db2.gz NYYQYZHQVZEEGL-UHFFFAOYSA-N 0 3 328.415 3.860 20 30 EHEDHN C#Cc1ccc(CN2CCCC[C@H]2COC(=O)NCCCC)cc1 ZINC001181708152 1133514004 /nfs/dbraw/zinc/51/40/04/1133514004.db2.gz TWERSUXEEUCXTR-IBGZPJMESA-N 0 3 328.456 3.549 20 30 EHEDHN C=CCc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc(OC)c1O ZINC000771935138 1133616730 /nfs/dbraw/zinc/61/67/30/1133616730.db2.gz JQEUZLRLNJJVTA-UHFFFAOYSA-N 0 3 340.467 3.827 20 30 EHEDHN CC[C@@H](N[C@@H]1CCN(c2ccc(C)cc2)C1=O)c1ccc(C#N)cc1 ZINC000774250403 1133643744 /nfs/dbraw/zinc/64/37/44/1133643744.db2.gz DQKFTERDPDFRIC-WOJBJXKFSA-N 0 3 333.435 3.713 20 30 EHEDHN C=CCC[C@H](NCc1cc(Br)nn1C)c1ccccc1 ZINC000785495691 1133714030 /nfs/dbraw/zinc/71/40/30/1133714030.db2.gz HGFOAHQAIPAYTI-HNNXBMFYSA-N 0 3 334.261 3.980 20 30 EHEDHN C=C[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000785998589 1133790024 /nfs/dbraw/zinc/79/00/24/1133790024.db2.gz IPVIWKDKQDPPFR-ZIAGYGMSSA-N 0 3 325.437 3.513 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)CCC(C)(C)C)c1 ZINC000786538779 1133863784 /nfs/dbraw/zinc/86/37/84/1133863784.db2.gz HFIXMKIVCCBSMK-DOTOQJQBSA-N 0 3 328.456 3.783 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1c(C)c(C)c(C)c(C)c1C ZINC001184425328 1133939668 /nfs/dbraw/zinc/93/96/68/1133939668.db2.gz PBZMTUAXAFNPFS-IBGZPJMESA-N 0 3 328.500 3.538 20 30 EHEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC001184783795 1133989839 /nfs/dbraw/zinc/98/98/39/1133989839.db2.gz QFFKQCGTOVIMRB-HKUYNNGSSA-N 0 3 326.484 3.712 20 30 EHEDHN CN(C)c1cccc(CCC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000788180897 1134087567 /nfs/dbraw/zinc/08/75/67/1134087567.db2.gz VUZOXXUXFJLDFI-MRXNPFEDSA-N 0 3 333.391 3.703 20 30 EHEDHN C#CCC1(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CCCCC1 ZINC000788233624 1134103829 /nfs/dbraw/zinc/10/38/29/1134103829.db2.gz WHYRSPPAWZLJOK-AZUAARDMSA-N 0 3 338.495 3.739 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](COC)Cc2ccccc2)c([O-])c1 ZINC000746817150 1134273444 /nfs/dbraw/zinc/27/34/44/1134273444.db2.gz WWKHUEFKSNJOGT-OMNSNBSWSA-N 0 3 340.467 3.915 20 30 EHEDHN COc1cccc(O)c1/C=N\C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000746816242 1134280974 /nfs/dbraw/zinc/28/09/74/1134280974.db2.gz PDFSYZQXIOEDDR-VBNMEBLOSA-N 0 3 332.831 3.776 20 30 EHEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@H]3[C@H](C2)CCCN3C)c1 ZINC001189268173 1134565204 /nfs/dbraw/zinc/56/52/04/1134565204.db2.gz WKYUYFSHZKJHJC-HKUYNNGSSA-N 0 3 341.499 3.690 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2(OC)CCC2)cc1 ZINC000791773149 1134599416 /nfs/dbraw/zinc/59/94/16/1134599416.db2.gz ITTINUDIKUHQAZ-PBHICJAKSA-N 0 3 342.439 3.807 20 30 EHEDHN COc1ccccc1C(=O)CNC1CCC(C#N)(c2ccccc2)CC1 ZINC001170367554 1134757561 /nfs/dbraw/zinc/75/75/61/1134757561.db2.gz JRMBXOXZJRZCOU-UHFFFAOYSA-N 0 3 348.446 3.872 20 30 EHEDHN COc1ccc2c(c1)C[C@@H](Nc1ccc(/N=C/N(C)C)c(C#N)c1)CC2 ZINC001170414079 1134774409 /nfs/dbraw/zinc/77/44/09/1134774409.db2.gz QJSJJOBMTHYQFV-TTXZLZEXSA-N 0 3 348.450 3.758 20 30 EHEDHN CC[C@@H](Cc1ccc2c(c1)OCO2)NC(=N)c1ccc2ccccc2n1 ZINC001170418775 1134782445 /nfs/dbraw/zinc/78/24/45/1134782445.db2.gz AIYDKZKUIYKWHC-INIZCTEOSA-N 0 3 347.418 3.690 20 30 EHEDHN CCC1(CC)CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001191539853 1134881244 /nfs/dbraw/zinc/88/12/44/1134881244.db2.gz HRIZTCRRMQTPSQ-GNZRSQJKSA-N 0 3 333.520 3.818 20 30 EHEDHN COc1cccc([C@H](C/N=C/c2cc(Cl)ccc2O)N(C)C)c1 ZINC000005292313 1134920739 /nfs/dbraw/zinc/92/07/39/1134920739.db2.gz OQDKXIWLUVTGAZ-PBGVMVHZSA-N 0 3 332.831 3.776 20 30 EHEDHN C#CCN1CCC(C(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000804705953 1135180694 /nfs/dbraw/zinc/18/06/94/1135180694.db2.gz KLBOKHWGUZMESQ-LJQANCHMSA-N 0 3 346.902 3.541 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CN1CCCC[C@@H]1COC(=O)NC(C)C ZINC001194125945 1135229326 /nfs/dbraw/zinc/22/93/26/1135229326.db2.gz WVGHYNOQACUWNX-GOSISDBHSA-N 0 3 343.471 3.664 20 30 EHEDHN N#C[C@H](COC(=O)c1cccc(CN2CCCC2)c1)Cc1ccccc1 ZINC000805892632 1135345412 /nfs/dbraw/zinc/34/54/12/1135345412.db2.gz HJPLOOPQJWZNSI-HXUWFJFHSA-N 0 3 348.446 3.822 20 30 EHEDHN CC(C)Oc1ccc([C@H](C/N=C\c2ccccc2O)N(C)C)cc1 ZINC000806551617 1135456734 /nfs/dbraw/zinc/45/67/34/1135456734.db2.gz WEMLFVZGGJEZTF-IAFWPLRWSA-N 0 3 326.440 3.901 20 30 EHEDHN C#CC[C@H](NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000807029818 1135513942 /nfs/dbraw/zinc/51/39/42/1135513942.db2.gz HKAQGZDUKSGORH-QMMLZNLJSA-N 0 3 349.478 3.742 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCCC[C@@H](C)C2)cc1C ZINC000775729809 1135582217 /nfs/dbraw/zinc/58/22/17/1135582217.db2.gz TUAOKQRXJDZDLE-MRXNPFEDSA-N 0 3 327.472 3.672 20 30 EHEDHN C=CCCC[C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001197377865 1135687738 /nfs/dbraw/zinc/68/77/38/1135687738.db2.gz RVLWPMRQKKZZKT-HNNXBMFYSA-N 0 3 328.378 3.742 20 30 EHEDHN C#C[C@H](C)NCc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000809682931 1135871415 /nfs/dbraw/zinc/87/14/15/1135871415.db2.gz IUTLRZXAIKUFTJ-KRWDZBQOSA-N 0 3 345.446 3.718 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809750524 1135885246 /nfs/dbraw/zinc/88/52/46/1135885246.db2.gz ZFXWZUZSXRIQPL-DOTOQJQBSA-N 0 3 344.455 3.531 20 30 EHEDHN CCCC[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000810126407 1135924435 /nfs/dbraw/zinc/92/44/35/1135924435.db2.gz XCZQRDBHYRWVKK-KBPBESRZSA-N 0 3 329.469 3.983 20 30 EHEDHN N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(O)c1 ZINC001201477781 1136033018 /nfs/dbraw/zinc/03/30/18/1136033018.db2.gz MIRLRLBPTOULHW-MOPGFXCFSA-N 0 3 331.419 3.997 20 30 EHEDHN N#Cc1cc(N)ccc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201477334 1136033034 /nfs/dbraw/zinc/03/30/34/1136033034.db2.gz FEDTXHWNDOJFQQ-UXHICEINSA-N 0 3 330.435 3.873 20 30 EHEDHN CCCCCCCN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001201762370 1136060808 /nfs/dbraw/zinc/06/08/08/1136060808.db2.gz HTRPZGBHUKWPAX-XUVXKRRUSA-N 0 3 332.488 3.800 20 30 EHEDHN CCCCCCCCCCN1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001201852655 1136066740 /nfs/dbraw/zinc/06/67/40/1136066740.db2.gz GDDBKSIRFTWSJO-MOPGFXCFSA-N 0 3 346.519 3.507 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(CC#N)ccc1[N+](=O)[O-] ZINC001170686153 1136244414 /nfs/dbraw/zinc/24/44/14/1136244414.db2.gz OHNFFMVIUTVAQX-ZDUSSCGKSA-N 0 3 347.378 3.533 20 30 EHEDHN C#C[C@H](N[C@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000812793609 1136250999 /nfs/dbraw/zinc/25/09/99/1136250999.db2.gz ZPWWTYBWRBJZAW-KDOFPFPSSA-N 0 3 327.399 3.738 20 30 EHEDHN Cc1ccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000813213731 1136303811 /nfs/dbraw/zinc/30/38/11/1136303811.db2.gz OYJRCVOKQAUDGM-AWEZNQCLSA-N 0 3 334.297 3.664 20 30 EHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000814302640 1136438571 /nfs/dbraw/zinc/43/85/71/1136438571.db2.gz HKWRFMNWANFTDJ-HNNXBMFYSA-N 0 3 335.407 3.756 20 30 EHEDHN N#Cc1ccccc1-c1ccc(CN2CCCC[C@@H]2C2OCCO2)cc1 ZINC000110990923 1136494809 /nfs/dbraw/zinc/49/48/09/1136494809.db2.gz NTLGJDFNKWDURR-OAQYLSRUSA-N 0 3 348.446 3.953 20 30 EHEDHN N#CC1(CN[C@H]2CCc3ccc(Br)cc3C2)CCCC1 ZINC001170844131 1136757768 /nfs/dbraw/zinc/75/77/68/1136757768.db2.gz HZHSFJQEBDYODT-INIZCTEOSA-N 0 3 333.273 3.980 20 30 EHEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000818110481 1136860085 /nfs/dbraw/zinc/86/00/85/1136860085.db2.gz ZDIAXYLDYDIKIU-VIFPVBQESA-N 0 3 333.791 3.614 20 30 EHEDHN C#CCOc1ccc(CNC(C)(C)c2ccc(OC)c(F)c2)cc1 ZINC000858257317 1136952955 /nfs/dbraw/zinc/95/29/55/1136952955.db2.gz GQWOOCPIUSPZQR-UHFFFAOYSA-N 0 3 327.399 3.871 20 30 EHEDHN C[C@H](COc1ccc(Cl)c(Cl)c1)NCc1ccc(C#N)cn1 ZINC000824231992 1137128973 /nfs/dbraw/zinc/12/89/73/1137128973.db2.gz UTGBZCLIMWCFMS-LLVKDONJSA-N 0 3 336.222 3.817 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc3c(c2)OCCCCO3)cc1 ZINC000824925616 1137157771 /nfs/dbraw/zinc/15/77/71/1137157771.db2.gz AHTPDQABKNKFNH-UHFFFAOYSA-N 0 3 337.419 3.540 20 30 EHEDHN C#C[C@@H](Cc1ccccc1)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805900740 1137178930 /nfs/dbraw/zinc/17/89/30/1137178930.db2.gz VAOZMRXOONCNJR-QFIPXVFZSA-N 0 3 347.458 3.686 20 30 EHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](C2CCC2)C1 ZINC001171157225 1137268613 /nfs/dbraw/zinc/26/86/13/1137268613.db2.gz TVXLYHJGCXQMOU-DOMZBBRYSA-N 0 3 331.847 3.661 20 30 EHEDHN CCc1cc2cc(NC(=N)c3ccc4cc(O)ccc4c3)cnc2[nH]1 ZINC001171183982 1137293760 /nfs/dbraw/zinc/29/37/60/1137293760.db2.gz CCUWJPSKOJAJHE-UHFFFAOYSA-N 0 3 330.391 3.973 20 30 EHEDHN CCc1nc2c(s1)[C@@H](NCc1ccc(OC)c(C#N)c1)CCC2 ZINC000773084566 1137463953 /nfs/dbraw/zinc/46/39/53/1137463953.db2.gz UEMBFJRWPVBYAU-AWEZNQCLSA-N 0 3 327.453 3.753 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@@](C)(O)C(F)(F)F)cc1 ZINC000773118088 1137466656 /nfs/dbraw/zinc/46/66/56/1137466656.db2.gz MJPDMLWYOYTJAE-SMDDNHRTSA-N 0 3 337.769 3.782 20 30 EHEDHN CC[C@@H]1C[C@H](N2CC(CC#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821433 1137511852 /nfs/dbraw/zinc/51/18/52/1137511852.db2.gz TVUVHTMDUNWAMB-FVQHAEBGSA-N 0 3 335.492 3.789 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@H](CO)c1cccc(Cl)c1F ZINC001172304808 1137545408 /nfs/dbraw/zinc/54/54/08/1137545408.db2.gz OLNRRHGDYHJNAA-YVEFUNNKSA-N 0 3 332.806 3.605 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001172310945 1137545982 /nfs/dbraw/zinc/54/59/82/1137545982.db2.gz MCWWQNIAMPSFIR-SUMWQHHRSA-N 0 3 340.389 3.515 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN([C@H](C)c2ccccc2)CC1 ZINC001172319113 1137546805 /nfs/dbraw/zinc/54/68/05/1137546805.db2.gz LIGWCQJARCMNFK-RTBURBONSA-N 0 3 333.479 3.868 20 30 EHEDHN CCCCCCC[C@@H](CC)N1CCO[C@@]2(CCCN(C(C)=O)C2)C1 ZINC001172355064 1137554118 /nfs/dbraw/zinc/55/41/18/1137554118.db2.gz MEQGHOLHNVPINV-WOJBJXKFSA-N 0 3 338.536 3.839 20 30 EHEDHN C=CC(C)(C)CCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000872099890 1137571236 /nfs/dbraw/zinc/57/12/36/1137571236.db2.gz GJJDIOQPKWNXEW-HNNXBMFYSA-N 0 3 325.449 3.626 20 30 EHEDHN C#C[C@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000873198756 1137593743 /nfs/dbraw/zinc/59/37/43/1137593743.db2.gz ZQLCVNLICYYZAE-CTYIDZIISA-N 0 3 341.436 4.000 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1CCC=CCC1 ZINC000873497040 1137600890 /nfs/dbraw/zinc/60/08/90/1137600890.db2.gz CBJOBZOTJROZPH-CYBMUJFWSA-N 0 3 334.778 3.873 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000876557113 1137655397 /nfs/dbraw/zinc/65/53/97/1137655397.db2.gz BPYCQNJMQGCBBG-ZDUSSCGKSA-N 0 3 335.860 3.835 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000876564112 1137655664 /nfs/dbraw/zinc/65/56/64/1137655664.db2.gz PQCVQHBYHQBKIB-LBPRGKRZSA-N 0 3 328.890 3.574 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000876673109 1137658779 /nfs/dbraw/zinc/65/87/79/1137658779.db2.gz UHRCHTKBOYOIBL-VIFPVBQESA-N 0 3 338.782 3.591 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877020108 1137667797 /nfs/dbraw/zinc/66/77/97/1137667797.db2.gz KXNVPPZHWOALKQ-RDTXWAMCSA-N 0 3 340.858 3.532 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC2CCC(O)(c3ccccc3)CC2)c1 ZINC000877352756 1137674738 /nfs/dbraw/zinc/67/47/38/1137674738.db2.gz CJUYWIKNQUHCBM-UHFFFAOYSA-N 0 3 341.842 3.527 20 30 EHEDHN C=C(C)[C@@H](NC[C@@H]1CC2(CO1)CCOCC2)c1ccc(F)c(F)c1 ZINC000878452193 1137716648 /nfs/dbraw/zinc/71/66/48/1137716648.db2.gz WWBBGRGRLXHGIK-MAUKXSAKSA-N 0 3 337.410 3.757 20 30 EHEDHN CCOc1ccc([C@H](O)C2CCN(CC3(CC#N)CC3)CC2)cc1 ZINC000878634534 1137723256 /nfs/dbraw/zinc/72/32/56/1137723256.db2.gz JQLKSOBBRIBWMQ-IBGZPJMESA-N 0 3 328.456 3.525 20 30 EHEDHN CN(CCc1cccc(C#N)c1)Cc1cc(Cl)ccc1OCC#N ZINC000879434746 1137747799 /nfs/dbraw/zinc/74/77/99/1137747799.db2.gz XZYHASWETYBKQO-UHFFFAOYSA-N 0 3 339.826 3.789 20 30 EHEDHN N#CCC[C@@H](C#N)CN1CCC[C@@H](c2cc(-c3ccccc3)[nH]n2)C1 ZINC000880275678 1137772893 /nfs/dbraw/zinc/77/28/93/1137772893.db2.gz UBODHGIGCCQCEF-FUHWJXTLSA-N 0 3 333.439 3.700 20 30 EHEDHN C=C/C=C/CCSc1nnc(CCN2CCCCC2)n1CC=C ZINC000882081941 1137820725 /nfs/dbraw/zinc/82/07/25/1137820725.db2.gz IDLKKDZEFCGXGT-AATRIKPKSA-N 0 3 332.517 3.717 20 30 EHEDHN Cc1cccc2ncc(CN3CCC(Cc4ccc(C#N)cc4)CC3)n21 ZINC001137196735 1137869381 /nfs/dbraw/zinc/86/93/81/1137869381.db2.gz ZIBPGZMQEVTWDH-UHFFFAOYSA-N 0 3 344.462 3.969 20 30 EHEDHN Cc1oc(NC(=O)CN[C@H](c2ccccc2)C2CCC2)c(C#N)c1C ZINC000104698286 1137879009 /nfs/dbraw/zinc/87/90/09/1137879009.db2.gz WCRVXRNOZFLJID-LJQANCHMSA-N 0 3 337.423 3.838 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000106038061 1137882477 /nfs/dbraw/zinc/88/24/77/1137882477.db2.gz BXKXHZXGECRIFN-UHFFFAOYSA-N 0 3 333.284 3.825 20 30 EHEDHN CSc1ccccc1CN(C)CCC(=O)Nc1sccc1C#N ZINC000348313145 1137938297 /nfs/dbraw/zinc/93/82/97/1137938297.db2.gz GNYOVUYEKPAIBN-UHFFFAOYSA-N 0 3 345.493 3.802 20 30 EHEDHN COc1cc(C#N)ccc1CN1CC[C@@H](COCc2ccccc2)C1 ZINC000121063245 1137954741 /nfs/dbraw/zinc/95/47/41/1137954741.db2.gz NVXNQVNMGMWJDI-LJQANCHMSA-N 0 3 336.435 3.606 20 30 EHEDHN CCOc1ccc(C2=CCN(C[C@@H](O)CC3(C#N)CCC3)CC2)cc1 ZINC000886100758 1138046625 /nfs/dbraw/zinc/04/66/25/1138046625.db2.gz WZGRAZUWOVBQGC-IBGZPJMESA-N 0 3 340.467 3.619 20 30 EHEDHN C#CCN(C(=O)c1ccc(C(C)(C)CC)cc1)C1CCN(C)CC1 ZINC000886579869 1138098808 /nfs/dbraw/zinc/09/88/08/1138098808.db2.gz LJXXLCAZXAEISY-UHFFFAOYSA-N 0 3 326.484 3.544 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C(F)(F)F)c2F)CC1 ZINC000079542203 1138156878 /nfs/dbraw/zinc/15/68/78/1138156878.db2.gz IFUMGCGGRJCTKM-UHFFFAOYSA-N 0 3 344.352 3.615 20 30 EHEDHN C#CCC1(NCc2nc(-c3ccc(C)cc3)cs2)CCOCC1 ZINC000887121975 1138218389 /nfs/dbraw/zinc/21/83/89/1138218389.db2.gz FQGLFHLLVRSEOA-UHFFFAOYSA-N 0 3 326.465 3.781 20 30 EHEDHN C=CC[C@@H]1N(C(=O)Nc2ccc3c(c2)CNCCO3)CCCC1(C)C ZINC000333306203 1138275673 /nfs/dbraw/zinc/27/56/73/1138275673.db2.gz KZODAWNWNZYJJK-SFHVURJKSA-N 0 3 343.471 3.767 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc(O[C@@H](C)CC)c2)CC1 ZINC000264333911 1138479508 /nfs/dbraw/zinc/47/95/08/1138479508.db2.gz GDNAQAUUZKTPOZ-HNNXBMFYSA-N 0 3 331.460 3.636 20 30 EHEDHN CC(C)COC[C@H](NCCCC1(C#N)CCOCC1)c1ccco1 ZINC000337203119 1138494286 /nfs/dbraw/zinc/49/42/86/1138494286.db2.gz HJUWRIVVNLTISS-KRWDZBQOSA-N 0 3 334.460 3.683 20 30 EHEDHN N#Cc1cccc(NC(=O)C2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000265098589 1138727588 /nfs/dbraw/zinc/72/75/88/1138727588.db2.gz CZPADVQXSIFQCV-WEVVVXLNSA-N 0 3 345.446 3.922 20 30 EHEDHN C[C@@H](NCc1ccc(Cl)cc1-n1cncn1)c1ccc(C#N)cc1 ZINC000338361727 1138856248 /nfs/dbraw/zinc/85/62/48/1138856248.db2.gz DJZRDWHHZQIKJN-CYBMUJFWSA-N 0 3 337.814 3.643 20 30 EHEDHN CCCc1ccc([C@@H](NCC(=O)N(CC)CCC#N)C(C)C)cc1 ZINC000338423896 1138908018 /nfs/dbraw/zinc/90/80/18/1138908018.db2.gz TUVWAKCZNOAQKB-FQEVSTJZSA-N 0 3 329.488 3.688 20 30 EHEDHN CN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000174365309 1139416560 /nfs/dbraw/zinc/41/65/60/1139416560.db2.gz VYBJBDRURUXPMP-UHFFFAOYSA-N 0 3 348.450 3.687 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000177357222 1139615593 /nfs/dbraw/zinc/61/55/93/1139615593.db2.gz XOKFMQVUUIHICE-UHFFFAOYSA-N 0 3 339.464 3.659 20 30 EHEDHN Cc1cc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)c(C)s1 ZINC000179373602 1139752784 /nfs/dbraw/zinc/75/27/84/1139752784.db2.gz SFXALKARTNIPDG-KBPBESRZSA-N 0 3 333.501 3.747 20 30 EHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(F)cc1N(C)C ZINC000180554054 1139845716 /nfs/dbraw/zinc/84/57/16/1139845716.db2.gz IHQSEDQWNQSMLO-CQSZACIVSA-N 0 3 327.403 3.645 20 30 EHEDHN COCc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccc1F ZINC000181777131 1139930186 /nfs/dbraw/zinc/93/01/86/1139930186.db2.gz IPJDDEMTBHELKX-CQSZACIVSA-N 0 3 328.387 3.725 20 30 EHEDHN CN(C)c1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182495870 1139976044 /nfs/dbraw/zinc/97/60/44/1139976044.db2.gz AETJIFCZVPKAFH-UHFFFAOYSA-N 0 3 334.467 3.701 20 30 EHEDHN N#C[C@H]1CCC[C@H](NCc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000185788865 1140170128 /nfs/dbraw/zinc/17/01/28/1140170128.db2.gz AICVZCSQFGDFSG-YJBOKZPZSA-N 0 3 325.456 3.987 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192044184 1140499271 /nfs/dbraw/zinc/49/92/71/1140499271.db2.gz KXKWBSXFKVDORK-PKOBYXMFSA-N 0 3 342.826 3.840 20 30 EHEDHN CCN1CCN(c2ccc(N[C@H]3CCC[C@H](C#N)C3)c(C)c2)CC1 ZINC000193072648 1140562192 /nfs/dbraw/zinc/56/21/92/1140562192.db2.gz LZAZPARSWPZJOV-ROUUACIJSA-N 0 3 326.488 3.631 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2cc(OC)c(OC)cc2C)cc1C#N ZINC000266229261 1140658245 /nfs/dbraw/zinc/65/82/45/1140658245.db2.gz TYUPEOOJOYBNNM-AWEZNQCLSA-N 0 3 340.423 3.743 20 30 EHEDHN COc1ccc(F)c(CNCCSCc2ccccc2C#N)c1 ZINC000339167923 1141515827 /nfs/dbraw/zinc/51/58/27/1141515827.db2.gz JOMHAFDLZKJVOR-UHFFFAOYSA-N 0 3 330.428 3.729 20 30 EHEDHN CN(Cc1ccccn1)[C@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000328628003 258030959 /nfs/dbraw/zinc/03/09/59/258030959.db2.gz GTIURDAKDIUGJC-SFHVURJKSA-N 0 3 340.496 3.501 20 30 EHEDHN COCCc1nc(C)c([C@H](C)NCc2ccc(C)c(C#N)c2)s1 ZINC000926963345 1032059343 /nfs/dbraw/zinc/05/93/43/1032059343.db2.gz DMSLWRUFXFPERM-ZDUSSCGKSA-N 0 3 329.469 3.671 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001573342336 947541553 /nfs/dbraw/zinc/54/15/53/947541553.db2.gz WPFPORZWWTWZEG-OALUTQOASA-N 0 3 349.413 3.550 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001573342336 947541562 /nfs/dbraw/zinc/54/15/62/947541562.db2.gz WPFPORZWWTWZEG-OALUTQOASA-N 0 3 349.413 3.550 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001573342336 947541576 /nfs/dbraw/zinc/54/15/76/947541576.db2.gz WPFPORZWWTWZEG-OALUTQOASA-N 0 3 349.413 3.550 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001573342336 947541583 /nfs/dbraw/zinc/54/15/83/947541583.db2.gz WPFPORZWWTWZEG-OALUTQOASA-N 0 3 349.413 3.550 20 30 EHEDHN COc1ccc(Cl)cc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000537989042 1032067516 /nfs/dbraw/zinc/06/75/16/1032067516.db2.gz WSNAVXXPILGEGL-CYBMUJFWSA-N 0 3 330.815 3.950 20 30 EHEDHN COC[C@H](NCCc1cccc(C#N)c1)c1cccc(Cl)c1F ZINC000579727200 1014302259 /nfs/dbraw/zinc/30/22/59/1014302259.db2.gz ZTRLGPAUWPJFEJ-KRWDZBQOSA-N 0 3 332.806 3.871 20 30 EHEDHN N#Cc1cccc(C2(NC[C@H](O)c3ccc(F)cc3Cl)CC2)c1 ZINC000274791512 1015152173 /nfs/dbraw/zinc/15/21/73/1015152173.db2.gz BZWZCXPKCGDXDE-KRWDZBQOSA-N 0 3 330.790 3.663 20 30 EHEDHN C=CCCC[C@H](C)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000538094923 1032138125 /nfs/dbraw/zinc/13/81/25/1032138125.db2.gz VPSBIHNBSRIAMS-KRWDZBQOSA-N 0 3 339.483 3.599 20 30 EHEDHN Cc1cc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc(C)c1C#N ZINC000904622767 1032144325 /nfs/dbraw/zinc/14/43/25/1032144325.db2.gz BTKXIRQPJLCWLW-UHFFFAOYSA-N 0 3 332.407 3.954 20 30 EHEDHN CC(C)c1ccccc1OC[C@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000027208213 1016342911 /nfs/dbraw/zinc/34/29/11/1016342911.db2.gz JOMWSXNWSWMQDW-LJQANCHMSA-N 0 3 338.451 3.553 20 30 EHEDHN CCCN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001167206393 1016582159 /nfs/dbraw/zinc/58/21/59/1016582159.db2.gz PKBGUXFWUKRMMR-HXUWFJFHSA-N 0 3 333.435 3.896 20 30 EHEDHN C=CCN(CCc1ccccc1)Cc1ccc(C(=O)OC)c(F)c1 ZINC001167273686 1016914735 /nfs/dbraw/zinc/91/47/35/1016914735.db2.gz PFOCXGSOBGDAOL-UHFFFAOYSA-N 0 3 327.399 3.843 20 30 EHEDHN C#Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000077673825 1017068156 /nfs/dbraw/zinc/06/81/56/1017068156.db2.gz VISQODPFZCCGKB-GOSISDBHSA-N 0 3 347.462 3.796 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000183210641 1032183576 /nfs/dbraw/zinc/18/35/76/1032183576.db2.gz DIGSRDTXCHLOMW-QRWLVFNGSA-N 0 3 340.398 3.770 20 30 EHEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(Cl)c2ccccc21 ZINC000184926467 1032344658 /nfs/dbraw/zinc/34/46/58/1032344658.db2.gz FHFGWCQQOAPLPD-KGLIPLIRSA-N 0 3 343.858 3.904 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)c(SC)c2)CC1 ZINC000459649079 1032369989 /nfs/dbraw/zinc/36/99/89/1032369989.db2.gz ITCSMKTZFJAFHW-UHFFFAOYSA-N 0 3 349.500 3.579 20 30 EHEDHN CC(C)(CCC#N)CN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000118949809 1032474156 /nfs/dbraw/zinc/47/41/56/1032474156.db2.gz APJGBHCEEKJOJZ-UHFFFAOYSA-N 0 3 349.906 3.666 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccs1 ZINC000537077981 1032508511 /nfs/dbraw/zinc/50/85/11/1032508511.db2.gz OCXCQYUFUUZROY-QZTJIDSGSA-N 0 3 333.501 3.623 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2[C@H](C)CC(C)C)CC1 ZINC000460130332 1032607181 /nfs/dbraw/zinc/60/71/81/1032607181.db2.gz VHQRBCAODSAFCS-MRXNPFEDSA-N 0 3 347.507 3.652 20 30 EHEDHN CN(CCOc1ccccc1C#N)Cc1ccc(Br)cc1 ZINC000048554150 1017912442 /nfs/dbraw/zinc/91/24/42/1017912442.db2.gz XQCNCJDYIPRJHN-UHFFFAOYSA-N 0 3 345.240 3.832 20 30 EHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000048714368 1018259792 /nfs/dbraw/zinc/25/97/92/1018259792.db2.gz BTIPJNZXAYXDCE-AWEZNQCLSA-N 0 3 334.423 3.693 20 30 EHEDHN C[C@@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(C#N)c1 ZINC000610344797 1018348701 /nfs/dbraw/zinc/34/87/01/1018348701.db2.gz IJXLFTWHCFFOAV-IERDGZPVSA-N 0 3 336.435 3.967 20 30 EHEDHN C=CCCCCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000472865804 1018401411 /nfs/dbraw/zinc/40/14/11/1018401411.db2.gz ONABDQHAJFEQAV-GOSISDBHSA-N 0 3 329.488 3.649 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2cccc(F)c2)c([O-])c1 ZINC000255162274 1018487104 /nfs/dbraw/zinc/48/71/04/1018487104.db2.gz AENMTGDCNDHLLG-VFAFIFLJSA-N 0 3 330.403 3.530 20 30 EHEDHN C[C@H](c1ccc(F)cc1F)N1CCN(CC2CCC(C#N)CC2)CC1 ZINC001167359707 1018704893 /nfs/dbraw/zinc/70/48/93/1018704893.db2.gz GMSOHHLQRXBFAO-KLAILNCOSA-N 0 3 347.453 3.973 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000449554466 1032791298 /nfs/dbraw/zinc/79/12/98/1032791298.db2.gz OISHKZCHUKHKGL-IIAWOOMASA-N 0 3 338.373 3.560 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1Cl ZINC000449558570 1032801979 /nfs/dbraw/zinc/80/19/79/1032801979.db2.gz WSJLFFRZAJVCEF-BRWVUGGUSA-N 0 3 335.875 3.888 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1Cl ZINC000449558573 1032801082 /nfs/dbraw/zinc/80/10/82/1032801082.db2.gz WSJLFFRZAJVCEF-ZACQAIPSSA-N 0 3 335.875 3.888 20 30 EHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000047827062 1019074182 /nfs/dbraw/zinc/07/41/82/1019074182.db2.gz GQXOMEUWIVMFOR-OAHLLOKOSA-N 0 3 336.435 3.987 20 30 EHEDHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCC1(CC#N)CC1 ZINC000430021561 1019785791 /nfs/dbraw/zinc/78/57/91/1019785791.db2.gz RWHROQYRSKHBHM-UHFFFAOYSA-N 0 3 342.874 3.985 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000183066973 1019933907 /nfs/dbraw/zinc/93/39/07/1019933907.db2.gz AWXMWPRZYIIBKM-INIZCTEOSA-N 0 3 336.439 3.509 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc(C(=O)OC)cc2)cc1Cl ZINC000580740998 1019945126 /nfs/dbraw/zinc/94/51/26/1019945126.db2.gz GQZAMYDBTGUBEQ-UHFFFAOYSA-N 0 3 345.826 3.981 20 30 EHEDHN CN(C)c1ccc(CNCc2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000280073750 1020062766 /nfs/dbraw/zinc/06/27/66/1020062766.db2.gz XWSWPPQYWZTKEI-UHFFFAOYSA-N 0 3 333.357 3.933 20 30 EHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345301702 1020139147 /nfs/dbraw/zinc/13/91/47/1020139147.db2.gz QEMPVJMFCLACRK-KFWWJZLASA-N 0 3 346.500 3.685 20 30 EHEDHN CC(C)CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCN(C)CC1 ZINC000280275203 1020272422 /nfs/dbraw/zinc/27/24/22/1020272422.db2.gz WANYUWJHWHPGOI-UHFFFAOYSA-N 0 3 341.499 3.680 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1Cl ZINC000093869921 1032919966 /nfs/dbraw/zinc/91/99/66/1032919966.db2.gz QEVZSSRQGCRTKJ-INIZCTEOSA-N 0 3 345.874 3.703 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(Br)s1 ZINC000602508701 1032942715 /nfs/dbraw/zinc/94/27/15/1032942715.db2.gz VZGVZGKYAMMUTI-LLVKDONJSA-N 0 3 343.290 3.699 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)OC1CCCCCC1 ZINC000761026201 1032963861 /nfs/dbraw/zinc/96/38/61/1032963861.db2.gz SPCBLAISXBLDJJ-RDJZCZTQSA-N 0 3 336.476 3.520 20 30 EHEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)C1 ZINC000664874795 1021395435 /nfs/dbraw/zinc/39/54/35/1021395435.db2.gz QDMIGQNOYAIPLD-ZACQAIPSSA-N 0 3 333.476 3.707 20 30 EHEDHN N#CCSCC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051155944 1021493191 /nfs/dbraw/zinc/49/31/91/1021493191.db2.gz WKUITECLLFFMRQ-GFCCVEGCSA-N 0 3 347.852 3.897 20 30 EHEDHN C[C@H](NC[C@H]1CSc2ccccc2O1)c1ccc(C#N)cc1F ZINC000519154224 1021886996 /nfs/dbraw/zinc/88/69/96/1021886996.db2.gz AXQBLGNWARMWMA-JSGCOSHPSA-N 0 3 328.412 3.901 20 30 EHEDHN COc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc(OC)c1OC ZINC000266435086 1022158665 /nfs/dbraw/zinc/15/86/65/1022158665.db2.gz FDQJJMFITXKOQV-KBPBESRZSA-N 0 3 340.423 3.996 20 30 EHEDHN CC(C)[C@@H](NCC(=O)NCC#N)c1ccc(C2CCCCC2)cc1 ZINC000110937643 1022376314 /nfs/dbraw/zinc/37/63/14/1022376314.db2.gz VTMWOUGNSPTMSW-HXUWFJFHSA-N 0 3 327.472 3.661 20 30 EHEDHN N#CCc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000449702929 1033065047 /nfs/dbraw/zinc/06/50/47/1033065047.db2.gz SRGJGBTYAQDCAQ-UHFFFAOYSA-N 0 3 330.435 3.701 20 30 EHEDHN N#Cc1ccc(CCC(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000783444535 1022640469 /nfs/dbraw/zinc/64/04/69/1022640469.db2.gz LGQOKRVFVGTOHV-OAQYLSRUSA-N 0 3 348.446 3.699 20 30 EHEDHN CC(C)(C)[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000330745230 1022666614 /nfs/dbraw/zinc/66/66/14/1022666614.db2.gz VMSOZOVCXQKTEZ-SFHVURJKSA-N 0 3 327.472 3.706 20 30 EHEDHN CC[C@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000438502596 1022713835 /nfs/dbraw/zinc/71/38/35/1022713835.db2.gz COQMZTDLWMQMIV-ROUUACIJSA-N 0 3 327.472 3.671 20 30 EHEDHN C=C(C)COc1cccc(NC(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC000665955811 1033093948 /nfs/dbraw/zinc/09/39/48/1033093948.db2.gz CGUSKAZIZGRGAG-MRXNPFEDSA-N 0 3 331.460 3.636 20 30 EHEDHN COc1ccc(CN2CCC(SC)CC2)cc1OCCCC#N ZINC000602726410 1033112683 /nfs/dbraw/zinc/11/26/83/1033112683.db2.gz RJLYBXWGUTVYAW-UHFFFAOYSA-N 0 3 334.485 3.705 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000341739961 1023224716 /nfs/dbraw/zinc/22/47/16/1023224716.db2.gz CAJYONVJJBISNT-IBGZPJMESA-N 0 3 347.890 3.923 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000664865449 1023233894 /nfs/dbraw/zinc/23/38/94/1023233894.db2.gz JELACESSIHNJOW-KANFNMMFSA-N 0 3 327.472 3.570 20 30 EHEDHN N#CCC1(CN2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000602800273 1033173258 /nfs/dbraw/zinc/17/32/58/1033173258.db2.gz GXBNHSYITVRYHQ-INIZCTEOSA-N 0 3 327.476 3.726 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1CC=CC1 ZINC000657238576 1024194370 /nfs/dbraw/zinc/19/43/70/1024194370.db2.gz WXACWXWWNBBNMX-UHFFFAOYSA-N 0 3 332.517 3.551 20 30 EHEDHN COCC[C@@H]1CCCCN(CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000329810569 1024206030 /nfs/dbraw/zinc/20/60/30/1024206030.db2.gz QULOKCVQHVSHPW-WMZOPIPTSA-N 0 3 346.471 3.605 20 30 EHEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000329878181 1024232254 /nfs/dbraw/zinc/23/22/54/1024232254.db2.gz KIUIBUJXNKIKKJ-GASCZTMLSA-N 0 3 331.460 3.732 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000047726359 1024286703 /nfs/dbraw/zinc/28/67/03/1024286703.db2.gz NNLUEZDOSXDMJW-UHFFFAOYSA-N 0 3 339.395 3.887 20 30 EHEDHN C=CCOc1ccccc1CNC[C@H](c1c(F)cccc1F)N(C)C ZINC000522369701 1024363260 /nfs/dbraw/zinc/36/32/60/1024363260.db2.gz QKSLXQYIFFFUOI-GOSISDBHSA-N 0 3 346.421 3.922 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000520702689 1024446535 /nfs/dbraw/zinc/44/65/35/1024446535.db2.gz FUOSSVZXLMTBHO-GOSISDBHSA-N 0 3 329.488 3.723 20 30 EHEDHN N#Cc1ccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000025180903 1024464320 /nfs/dbraw/zinc/46/43/20/1024464320.db2.gz VZEQOFSNEBNNNK-UHFFFAOYSA-N 0 3 345.446 3.615 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434901475 1024493552 /nfs/dbraw/zinc/49/35/52/1024493552.db2.gz WDVLYWKAOCFZBP-RZQQEMMASA-N 0 3 333.435 3.763 20 30 EHEDHN C=CCOc1ccc(CN2CCC(c3ccnn3CC)CC2)cc1 ZINC000435034424 1024573733 /nfs/dbraw/zinc/57/37/33/1024573733.db2.gz MVMNHXUZZHORGK-UHFFFAOYSA-N 0 3 325.456 3.847 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@H](c3nccs3)C2)cc1OC ZINC000895583607 1024627256 /nfs/dbraw/zinc/62/72/56/1024627256.db2.gz MABSGELYXCDXAL-HNNXBMFYSA-N 0 3 330.453 3.706 20 30 EHEDHN CN1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccccc1 ZINC000281221532 1024760947 /nfs/dbraw/zinc/76/09/47/1024760947.db2.gz OJICSPWRPFSMNV-PMACEKPBSA-N 0 3 347.462 3.663 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)c1c(F)cccc1F ZINC000051377006 1025039324 /nfs/dbraw/zinc/03/93/24/1025039324.db2.gz XVCDYHVLAGAQGZ-GOSISDBHSA-N 0 3 330.378 3.782 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2c(CC)cc(C)cc2CC)CC1 ZINC000280771590 1025281481 /nfs/dbraw/zinc/28/14/81/1025281481.db2.gz OJMDMWNHADHMFB-UHFFFAOYSA-N 0 3 329.488 3.892 20 30 EHEDHN C=CCCC1(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000474779712 1025455493 /nfs/dbraw/zinc/45/54/93/1025455493.db2.gz KCLQNLWPPVILGR-UHFFFAOYSA-N 0 3 326.484 3.686 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3c2CCCC3)CC1 ZINC000521590435 1025507465 /nfs/dbraw/zinc/50/74/65/1025507465.db2.gz NSOUGLAJWHRQPT-UHFFFAOYSA-N 0 3 327.472 3.727 20 30 EHEDHN CC(C)(C)N(CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1 ZINC000152305485 1025599645 /nfs/dbraw/zinc/59/96/45/1025599645.db2.gz QQTVHMJMYHHJBF-UHFFFAOYSA-N 0 3 327.472 3.630 20 30 EHEDHN COc1cc(CNCc2ccc(OC(F)(F)F)cc2)ccc1C#N ZINC000582248961 1025687283 /nfs/dbraw/zinc/68/72/83/1025687283.db2.gz XNZLXKDQKBJPEC-UHFFFAOYSA-N 0 3 336.313 3.755 20 30 EHEDHN Cc1csc(C(C#N)C(=O)Nc2ncc(-c3ccccc3)s2)n1 ZINC000121702664 1025726454 /nfs/dbraw/zinc/72/64/54/1025726454.db2.gz VQYOXSKGXRRUKH-LBPRGKRZSA-N 0 3 340.433 3.821 20 30 EHEDHN Clc1ccc(C#CCN2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000425551152 1025730327 /nfs/dbraw/zinc/73/03/27/1025730327.db2.gz JHUAZQJDYKYCBI-LJQANCHMSA-N 0 3 329.871 3.973 20 30 EHEDHN COc1cc(C#N)ccc1CN(Cc1ccccc1)[C@H](CO)C(C)C ZINC000347260476 1025756434 /nfs/dbraw/zinc/75/64/34/1025756434.db2.gz NGDGCDQQOBCJAS-HXUWFJFHSA-N 0 3 338.451 3.586 20 30 EHEDHN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC(=O)N1 ZINC000329401128 1025813340 /nfs/dbraw/zinc/81/33/40/1025813340.db2.gz BHASSICVVSXSIC-BVIKNXMNSA-N 0 3 329.444 3.533 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1NCc1c(C)cc(C)nc1OCc1ccccc1 ZINC000451613086 1026170436 /nfs/dbraw/zinc/17/04/36/1026170436.db2.gz MEFCWAPFTHZMDQ-UXHICEINSA-N 0 3 338.451 3.711 20 30 EHEDHN C=CCOc1cccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375409364 1026488624 /nfs/dbraw/zinc/48/86/24/1026488624.db2.gz SSLDHXCBJTVUKB-MRXNPFEDSA-N 0 3 325.412 3.501 20 30 EHEDHN C=CCCn1cc(CNCC2(Cc3cccc(Cl)c3)CC2)nn1 ZINC000657488544 1026727744 /nfs/dbraw/zinc/72/77/44/1026727744.db2.gz SBKKHZSXHYILTJ-UHFFFAOYSA-N 0 3 330.863 3.620 20 30 EHEDHN N#Cc1ccc(NC[C@@H](c2ccccc2Cl)N2CCCC2)cn1 ZINC000531411049 1026889797 /nfs/dbraw/zinc/88/97/97/1026889797.db2.gz QEBPVXVPSSSBLQ-SFHVURJKSA-N 0 3 326.831 3.856 20 30 EHEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccc1 ZINC000047359158 1027564545 /nfs/dbraw/zinc/56/45/45/1027564545.db2.gz ZVCVSEMANVJQNI-HNNXBMFYSA-N 0 3 341.374 3.547 20 30 EHEDHN C[C@@H](c1ccccc1F)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000501850892 1027597235 /nfs/dbraw/zinc/59/72/35/1027597235.db2.gz PXMANHDERPRPBD-KRWDZBQOSA-N 0 3 337.442 3.966 20 30 EHEDHN Cc1cccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1C ZINC000115602926 1027983772 /nfs/dbraw/zinc/98/37/72/1027983772.db2.gz WGWZCHABFUEZJC-SJORKVTESA-N 0 3 327.472 3.685 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000079941741 1028421155 /nfs/dbraw/zinc/42/11/55/1028421155.db2.gz BMXAAVXUPNJLLX-RDTXWAMCSA-N 0 3 335.879 3.635 20 30 EHEDHN Cc1cccc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000502618035 1028438433 /nfs/dbraw/zinc/43/84/33/1028438433.db2.gz QVJHQDGJCZMTNZ-OXQOHEQNSA-N 0 3 333.435 3.713 20 30 EHEDHN Cc1ccc(SC2(CNC(=O)[C@@H](N)CCCC#N)CCCC2)cc1 ZINC000424152450 1028838526 /nfs/dbraw/zinc/83/85/26/1028838526.db2.gz LWESCYOSQXTRRO-KRWDZBQOSA-N 0 3 345.512 3.537 20 30 EHEDHN CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424171653 1028872301 /nfs/dbraw/zinc/87/23/01/1028872301.db2.gz MJXXLBJOPXSYAH-RBUKOAKNSA-N 0 3 327.472 3.885 20 30 EHEDHN C=CCn1cc(CN[C@H](C)CC(C)(C)c2c[nH]c3ccccc32)nn1 ZINC000424296633 1028936881 /nfs/dbraw/zinc/93/68/81/1028936881.db2.gz PAOGVXPMOZHWLT-OAHLLOKOSA-N 0 3 337.471 3.791 20 30 EHEDHN CCOc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1OC ZINC000440812014 1028945385 /nfs/dbraw/zinc/94/53/85/1028945385.db2.gz ZXQZTCWGCJYADH-CQSZACIVSA-N 0 3 340.423 3.825 20 30 EHEDHN N#Cc1cccc2c1CCN2C(=O)c1cccc(CN2CCCCC2)c1 ZINC000421970267 1028995486 /nfs/dbraw/zinc/99/54/86/1028995486.db2.gz QDUHWMUHECBQQL-UHFFFAOYSA-N 0 3 345.446 3.747 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184003039 1029475583 /nfs/dbraw/zinc/47/55/83/1029475583.db2.gz GAKUILGOAUBHDT-MGPUTAFESA-N 0 3 348.450 3.509 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000572942794 1029508058 /nfs/dbraw/zinc/50/80/58/1029508058.db2.gz LRCRCGKAQAORRX-UHFFFAOYSA-N 0 3 334.423 3.606 20 30 EHEDHN COc1cc(C)c([C@H](C)NCc2ccc(C#N)c(F)c2)cc1OC ZINC000192150689 1029604672 /nfs/dbraw/zinc/60/46/72/1029604672.db2.gz ZHXCOOQVMISCPC-ZDUSSCGKSA-N 0 3 328.387 3.874 20 30 EHEDHN N#C[C@H]1CCC[C@H](NCc2cc(Br)cc3c2OCC3)C1 ZINC000446761763 1029794227 /nfs/dbraw/zinc/79/42/27/1029794227.db2.gz ZUXIXVQCDDMEFU-NHYWBVRUSA-N 0 3 335.245 3.556 20 30 EHEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000429700514 1029953941 /nfs/dbraw/zinc/95/39/41/1029953941.db2.gz HWOZQNAHPHSCMG-HNNXBMFYSA-N 0 3 346.450 3.685 20 30 EHEDHN COCCOc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000453382979 1030163288 /nfs/dbraw/zinc/16/32/88/1030163288.db2.gz MHUCWLJXAWPHTL-AWEZNQCLSA-N 0 3 328.387 3.573 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000089103578 1030231258 /nfs/dbraw/zinc/23/12/58/1030231258.db2.gz DDPVWJIUGXVQHK-UHFFFAOYSA-N 0 3 340.398 3.896 20 30 EHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc2c(c1)OCCO2 ZINC000567987303 1030464595 /nfs/dbraw/zinc/46/45/95/1030464595.db2.gz BSRHTLQVTPQSQH-IBGZPJMESA-N 0 3 334.419 3.887 20 30 EHEDHN C=CCCCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000447969934 1030616176 /nfs/dbraw/zinc/61/61/76/1030616176.db2.gz AOWARMYSNVXAOG-INIZCTEOSA-N 0 3 335.517 3.787 20 30 EHEDHN N#Cc1cccnc1OC1CCC(NCc2ncc(Cl)s2)CC1 ZINC000527074794 1030626517 /nfs/dbraw/zinc/62/65/17/1030626517.db2.gz HHWFDWUBRWAVLH-UHFFFAOYSA-N 0 3 348.859 3.543 20 30 EHEDHN N#Cc1ccc(CN2CCCN([C@@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000482827407 1030737793 /nfs/dbraw/zinc/73/77/93/1030737793.db2.gz TVGLFVBXPMYKNV-JOCHJYFZSA-N 0 3 349.453 3.893 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000171701212 1030809666 /nfs/dbraw/zinc/80/96/66/1030809666.db2.gz WSLJWBZFCUXODA-IBGZPJMESA-N 0 3 329.488 3.723 20 30 EHEDHN CCCCO[C@H]1C[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C1(C)C ZINC000537656538 1030895724 /nfs/dbraw/zinc/89/57/24/1030895724.db2.gz IFMXZVXTUROVCT-MSOLQXFVSA-N 0 3 340.471 3.622 20 30 EHEDHN N#Cc1ccc2ncc(CN[C@@H](c3ccc(F)cc3)C3CCC3)n2c1 ZINC000551547317 1031441150 /nfs/dbraw/zinc/44/11/50/1031441150.db2.gz KWJVKZIDJVOYCI-HXUWFJFHSA-N 0 3 334.398 3.976 20 30 EHEDHN CCN(CCc1ccccc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343623911 1031662533 /nfs/dbraw/zinc/66/25/33/1031662533.db2.gz NUIHWLVZFFOYFN-IBGZPJMESA-N 0 3 349.478 3.886 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000594429577 1033366730 /nfs/dbraw/zinc/36/67/30/1033366730.db2.gz UKXQGBWRLVNLBZ-GOSISDBHSA-N 0 3 341.386 3.968 20 30 EHEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H](N)CCCCC#N ZINC000594433107 1033371504 /nfs/dbraw/zinc/37/15/04/1033371504.db2.gz LRMSPHKDOYNZQP-OALUTQOASA-N 0 3 329.488 3.576 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000594434105 1033372014 /nfs/dbraw/zinc/37/20/14/1033372014.db2.gz KTEBMFILBQTMKE-SNGWPZLWSA-N 0 3 340.452 3.663 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000594435615 1033372039 /nfs/dbraw/zinc/37/20/39/1033372039.db2.gz DJRUZAZKXAKNOQ-INIZCTEOSA-N 0 3 333.863 3.637 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000594435171 1033373009 /nfs/dbraw/zinc/37/30/09/1033373009.db2.gz BAJWEYRWZJFBCT-KRWDZBQOSA-N 0 3 327.453 3.693 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000594445513 1033377422 /nfs/dbraw/zinc/37/74/22/1033377422.db2.gz GVYJQIKYULLAAT-OAHLLOKOSA-N 0 3 348.878 3.680 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000594446800 1033378358 /nfs/dbraw/zinc/37/83/58/1033378358.db2.gz SSGLQOXZBWODHN-VQTJNVASSA-N 0 3 341.499 3.659 20 30 EHEDHN CC(C)[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1F ZINC000594445226 1033378586 /nfs/dbraw/zinc/37/85/86/1033378586.db2.gz INIIZZCEIXPLRE-CVEARBPZSA-N 0 3 339.842 3.704 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000594444477 1033379276 /nfs/dbraw/zinc/37/92/76/1033379276.db2.gz NKHWFLHASARHAO-LLVKDONJSA-N 0 3 345.390 3.533 20 30 EHEDHN CC(=O)N1CC[C@H](N[C@H]2CCc3cc(C#N)ccc32)c2ccccc21 ZINC000598680331 1033379593 /nfs/dbraw/zinc/37/95/93/1033379593.db2.gz XBEIXOCXYGIBON-PMACEKPBSA-N 0 3 331.419 3.633 20 30 EHEDHN CC(C)[C@@H](N)c1cn(Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000603191418 1033429060 /nfs/dbraw/zinc/42/90/60/1033429060.db2.gz QNJGGSPJFNNRBV-HXUWFJFHSA-N 0 3 331.423 3.521 20 30 EHEDHN C=CCCN[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000608016311 1033439914 /nfs/dbraw/zinc/43/99/14/1033439914.db2.gz QFPHYQXLJVFBMR-FQEVSTJZSA-N 0 3 343.492 3.908 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2scnc2C)cc1 ZINC000173985057 1033663979 /nfs/dbraw/zinc/66/39/79/1033663979.db2.gz LTQRVJGLBFJLGY-IAQYHMDHSA-N 0 3 341.436 3.926 20 30 EHEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cc(C)cc(C#N)c1)c1ccco1 ZINC000455958856 1033743561 /nfs/dbraw/zinc/74/35/61/1033743561.db2.gz SZVXXDBHBATSLO-RHSMWYFYSA-N 0 3 340.427 3.711 20 30 EHEDHN Cc1cc(C)c([C@@H](C)N2CCN(c3ncccc3C#N)CC2)c(C)c1 ZINC000608779624 1033883869 /nfs/dbraw/zinc/88/38/69/1033883869.db2.gz RIMQDEGAOGBDJD-GOSISDBHSA-N 0 3 334.467 3.762 20 30 EHEDHN COC(=O)C(C)(C)[C@@H](NCc1ccc(C)c(C#N)c1)c1ccccc1 ZINC000599355141 1033889487 /nfs/dbraw/zinc/88/94/87/1033889487.db2.gz UXDZWQAVLAEDGO-IBGZPJMESA-N 0 3 336.435 3.897 20 30 EHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595602188 1033915960 /nfs/dbraw/zinc/91/59/60/1033915960.db2.gz HHMLUXBIMCWHTG-XJKSGUPXSA-N 0 3 342.399 3.869 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595601312 1033916310 /nfs/dbraw/zinc/91/63/10/1033916310.db2.gz ATWGPSVLCYCPSR-CJNGLKHVSA-N 0 3 342.399 3.869 20 30 EHEDHN C=CCCN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000658116273 1033948849 /nfs/dbraw/zinc/94/88/49/1033948849.db2.gz IDDQGMMMSQRQIW-LLVKDONJSA-N 0 3 335.249 3.565 20 30 EHEDHN Cc1cc(CN2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)ccc1C#N ZINC000599585427 1034026045 /nfs/dbraw/zinc/02/60/45/1034026045.db2.gz YULZNLATVAVPIB-QAPCUYQASA-N 0 3 328.456 3.666 20 30 EHEDHN C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000595959201 1034037223 /nfs/dbraw/zinc/03/72/23/1034037223.db2.gz AVYXUSCLNGGCGC-PKOBYXMFSA-N 0 3 347.890 3.675 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CNC(C)(C)c1ccc2ccccc2c1 ZINC000599673492 1034080546 /nfs/dbraw/zinc/08/05/46/1034080546.db2.gz QSXLHEGCHAAFPN-OAQYLSRUSA-N 0 3 337.467 3.719 20 30 EHEDHN COCCOc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377829 1034115199 /nfs/dbraw/zinc/11/51/99/1034115199.db2.gz VEVSTGWSWDAGHF-OAHLLOKOSA-N 0 3 342.420 3.536 20 30 EHEDHN Cc1csc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1C#N ZINC000593159781 1034143202 /nfs/dbraw/zinc/14/32/02/1034143202.db2.gz QZQVWKYEDSPQAU-MWLCHTKSSA-N 0 3 332.347 3.614 20 30 EHEDHN CN1CCN(Cc2ccccc2-c2cc3ccccc3nc2C#N)CC1 ZINC000596639228 1034342372 /nfs/dbraw/zinc/34/23/72/1034342372.db2.gz MFCUDUDYXNSERR-UHFFFAOYSA-N 0 3 342.446 3.521 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])c1ccco1 ZINC000450531253 1034490844 /nfs/dbraw/zinc/49/08/44/1034490844.db2.gz SJSBLWHSLDIMBG-DOMZBBRYSA-N 0 3 328.372 3.601 20 30 EHEDHN Cc1csc([C@H](C)NC2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC000375802937 1034559970 /nfs/dbraw/zinc/55/99/70/1034559970.db2.gz XZFQRAUSRCIGGW-AWEZNQCLSA-N 0 3 326.469 3.643 20 30 EHEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000892496389 1034915005 /nfs/dbraw/zinc/91/50/05/1034915005.db2.gz YFNOKZABOVFZIZ-GFCCVEGCSA-N 0 3 348.830 3.907 20 30 EHEDHN C=C(C)CN(C)Cc1cc(Br)cc(Br)c1N ZINC000381565837 1035373676 /nfs/dbraw/zinc/37/36/76/1035373676.db2.gz SLKFUMPOELNJGG-UHFFFAOYSA-N 0 3 348.082 3.802 20 30 EHEDHN CCN(CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCOC1 ZINC000463449770 1035516650 /nfs/dbraw/zinc/51/66/50/1035516650.db2.gz QUUXRCDNLDKWJJ-NRFANRHFSA-N 0 3 334.463 3.997 20 30 EHEDHN C#CCCOc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186453886 1035637539 /nfs/dbraw/zinc/63/75/39/1035637539.db2.gz SFQUQOQJHMZAHF-JOCHJYFZSA-N 0 3 333.431 3.720 20 30 EHEDHN CC(C)C[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000582153915 1035705348 /nfs/dbraw/zinc/70/53/48/1035705348.db2.gz SDOWISKMFTZSLU-QGZVFWFLSA-N 0 3 340.389 3.950 20 30 EHEDHN CC(C)[C@@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000582315480 1035739180 /nfs/dbraw/zinc/73/91/80/1035739180.db2.gz SEFLPOCJBXZAAG-FQEVSTJZSA-N 0 3 326.415 3.716 20 30 EHEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414171410 1035876020 /nfs/dbraw/zinc/87/60/20/1035876020.db2.gz UXQDDUATPKWCTL-OAHLLOKOSA-N 0 3 348.512 3.993 20 30 EHEDHN Cn1cc([C@@H]2CN(Cc3ccc(C#N)cc3Cl)CC2(C)C)cn1 ZINC000582554898 1035884040 /nfs/dbraw/zinc/88/40/40/1035884040.db2.gz XNAWFOXQPOWRLX-INIZCTEOSA-N 0 3 328.847 3.571 20 30 EHEDHN CC(C)C1CCC(N2CCN(C(=O)CCCCCC#N)CC2)CC1 ZINC000588638610 1035939112 /nfs/dbraw/zinc/93/91/12/1035939112.db2.gz SXJMWEYIOHXAIF-UHFFFAOYSA-N 0 3 333.520 3.819 20 30 EHEDHN C=CCC1(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CCC1 ZINC000190349760 1036225853 /nfs/dbraw/zinc/22/58/53/1036225853.db2.gz SECGRRCMIZKTCJ-UHFFFAOYSA-N 0 3 327.472 3.513 20 30 EHEDHN Cc1nc(C#N)c(N=NC2CCN(C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000841619433 1036249082 /nfs/dbraw/zinc/24/90/82/1036249082.db2.gz NKYGBRPTQWGFEJ-GOSISDBHSA-N 0 3 335.411 3.622 20 30 EHEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(F)cc1F ZINC000152291675 1036334103 /nfs/dbraw/zinc/33/41/03/1036334103.db2.gz NJTZGAYIJLAKPS-WBMJQRKESA-N 0 3 348.393 3.616 20 30 EHEDHN C#CCOc1ccc(CNCc2ccccc2-n2nc(C)cc2C)cc1 ZINC000152296634 1036335914 /nfs/dbraw/zinc/33/59/14/1036335914.db2.gz HKBQJTRJDWDEBF-UHFFFAOYSA-N 0 3 345.446 3.791 20 30 EHEDHN C[C@H](NC[C@]1(C)OCCc2sccc21)c1ccc(C#N)cc1F ZINC000589349659 1036369233 /nfs/dbraw/zinc/36/92/33/1036369233.db2.gz LQDUGVWUBQQOEO-SGTLLEGYSA-N 0 3 330.428 3.898 20 30 EHEDHN FC(F)C(F)(F)COCCNCc1csc(C(F)(F)F)c1 ZINC000623507905 1036420627 /nfs/dbraw/zinc/42/06/27/1036420627.db2.gz AHSICICMRQHNOQ-UHFFFAOYSA-N 0 3 339.276 3.774 20 30 EHEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000462243681 1036732010 /nfs/dbraw/zinc/73/20/10/1036732010.db2.gz CAOUQBDSLRQPHX-SFHVURJKSA-N 0 3 349.478 3.561 20 30 EHEDHN N#Cc1ccc(CNC(=O)CN2CCCC3(C2)CCCCCC3)cc1 ZINC000464763351 1036750214 /nfs/dbraw/zinc/75/02/14/1036750214.db2.gz OOSWVKQEVALUNV-UHFFFAOYSA-N 0 3 339.483 3.611 20 30 EHEDHN C=CCC1(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CCCCC1 ZINC000659044276 1036967346 /nfs/dbraw/zinc/96/73/46/1036967346.db2.gz QEZIXDGZVKJZAI-SFHVURJKSA-N 0 3 343.471 3.748 20 30 EHEDHN C[C@H](NC(=O)C1(N(C)C)CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782828731 1037307078 /nfs/dbraw/zinc/30/70/78/1037307078.db2.gz HUUVDFUTEGZHFZ-INIZCTEOSA-N 0 3 347.462 3.887 20 30 EHEDHN Cc1cc(C)c([C@@H](C)N2CCN(c3cc(C#N)ccn3)CC2)c(C)c1 ZINC000532478561 1037514172 /nfs/dbraw/zinc/51/41/72/1037514172.db2.gz GFVLYRDMDBQSGN-GOSISDBHSA-N 0 3 334.467 3.762 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000493788094 1037614626 /nfs/dbraw/zinc/61/46/26/1037614626.db2.gz MMMRZYHYZSPRSD-IAGOWNOFSA-N 0 3 335.536 3.883 20 30 EHEDHN CCCN(C(=O)N[C@@H](CCCC#N)c1ccccc1)[C@@H]1CCN(C)C1 ZINC000592024908 1037807191 /nfs/dbraw/zinc/80/71/91/1037807191.db2.gz HEBQKSYISZENIK-MOPGFXCFSA-N 0 3 342.487 3.547 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC3(CCCCC3)CC2)CC1 ZINC000592301906 1037912797 /nfs/dbraw/zinc/91/27/97/1037912797.db2.gz CUWBPVVIUBQRHT-UHFFFAOYSA-N 0 3 333.520 3.783 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC[C@@H](C)C(C)=O)cc1 ZINC000122854081 1037932737 /nfs/dbraw/zinc/93/27/37/1037932737.db2.gz UMWAQWFWJVRBNV-RDTXWAMCSA-N 0 3 342.439 3.682 20 30 EHEDHN CC(C)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000463274111 1037979508 /nfs/dbraw/zinc/97/95/08/1037979508.db2.gz CRJSXOWIXMSGHM-KRWDZBQOSA-N 0 3 339.405 3.699 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CCC)Cc2ccc(C)cc2)CC1 ZINC000592524122 1038015130 /nfs/dbraw/zinc/01/51/30/1038015130.db2.gz AEWRJKXQOOFTEZ-UHFFFAOYSA-N 0 3 329.488 3.567 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(C(C)(C)C)ccc2OC)CC1 ZINC000592526820 1038023012 /nfs/dbraw/zinc/02/30/12/1038023012.db2.gz GIEXCCSWHFYXKA-UHFFFAOYSA-N 0 3 345.487 3.765 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2cc(C)ccc2C)CC1 ZINC000592526127 1038023662 /nfs/dbraw/zinc/02/36/62/1038023662.db2.gz OFCKARZZEDMIQA-QGZVFWFLSA-N 0 3 329.488 3.656 20 30 EHEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000058523981 1038046131 /nfs/dbraw/zinc/04/61/31/1038046131.db2.gz UOOIANLXAIXVON-SVFBPWRDSA-N 0 3 341.499 3.699 20 30 EHEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(C#N)cc1C ZINC000378246708 1038305127 /nfs/dbraw/zinc/30/51/27/1038305127.db2.gz IDMVSSSTQPZXHF-PZJWPPBQSA-N 0 3 345.446 3.623 20 30 EHEDHN C#CC[C@@H](NCCCS(=O)(=O)c1cccc(C)c1)c1ccccc1 ZINC000274357916 1038351059 /nfs/dbraw/zinc/35/10/59/1038351059.db2.gz YTADIIOHJOOWOF-HXUWFJFHSA-N 0 3 341.476 3.513 20 30 EHEDHN CC[C@H]1Oc2cc([C@H](C)NCc3ccc(C#N)c(C)c3)ccc2NC1=O ZINC000488143739 1038909741 /nfs/dbraw/zinc/90/97/41/1038909741.db2.gz GMNNPTOPKOSRQK-IFXJQAMLSA-N 0 3 349.434 3.827 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000363949250 1039073536 /nfs/dbraw/zinc/07/35/36/1039073536.db2.gz HFUCXFBOLSEPRD-HTAPYJJXSA-N 0 3 348.446 3.999 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc2ncsc2c1 ZINC000485835667 1039620807 /nfs/dbraw/zinc/62/08/07/1039620807.db2.gz ZOALIIRKNYYCLF-KBPBESRZSA-N 0 3 331.485 3.760 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)cc2SC)CC1 ZINC000667382255 1039671693 /nfs/dbraw/zinc/67/16/93/1039671693.db2.gz ZHVPVWYLNYYFQZ-UHFFFAOYSA-N 0 3 339.892 3.834 20 30 EHEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000912102337 1039686110 /nfs/dbraw/zinc/68/61/10/1039686110.db2.gz KCMOPOHWMFKAAC-WBVHZDCISA-N 0 3 332.444 3.776 20 30 EHEDHN N#CCC[C@@H](NC[C@H](O)COc1cccc2[nH]ccc21)c1ccccc1 ZINC000553054674 1039736733 /nfs/dbraw/zinc/73/67/33/1039736733.db2.gz NGIYWDFSSGIZIO-PKOBYXMFSA-N 0 3 349.434 3.542 20 30 EHEDHN C=C[C@@H](CC(=O)NC[C@@H](C)N(C)Cc1ccccc1)c1ccccc1 ZINC000533947832 1039967423 /nfs/dbraw/zinc/96/74/23/1039967423.db2.gz HKAGXZOGSHRIAO-QUCCMNQESA-N 0 3 336.479 3.983 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000486497616 1040190782 /nfs/dbraw/zinc/19/07/82/1040190782.db2.gz UAJAABCKUKPHQT-UYAOXDASSA-N 0 3 341.499 3.662 20 30 EHEDHN C=CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1cccs1 ZINC000432942520 1040226907 /nfs/dbraw/zinc/22/69/07/1040226907.db2.gz GRGKATDWMRKUJF-UHFFFAOYSA-N 0 3 325.437 3.637 20 30 EHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000553673130 1040306562 /nfs/dbraw/zinc/30/65/62/1040306562.db2.gz HHMVVBSMCKVANV-VQIMIIECSA-N 0 3 332.488 3.795 20 30 EHEDHN C[C@H](NCCc1nc2cc(F)ccc2n1C)c1ccc(C#N)cc1F ZINC000512625863 1040323719 /nfs/dbraw/zinc/32/37/19/1040323719.db2.gz QRSPTARXIOOAEF-LBPRGKRZSA-N 0 3 340.377 3.616 20 30 EHEDHN Cn1ncc(CN[C@H](CCCC#N)c2ccccc2)c1C(F)(F)F ZINC000433034516 1040495563 /nfs/dbraw/zinc/49/55/63/1040495563.db2.gz IITDFCYAFLTGRA-OAHLLOKOSA-N 0 3 336.361 3.964 20 30 EHEDHN C#CCCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000150730033 1040498780 /nfs/dbraw/zinc/49/87/80/1040498780.db2.gz VOLGWPQXDLXRNX-UHFFFAOYSA-N 0 3 332.245 3.732 20 30 EHEDHN C[C@@H](Cc1ccc(F)cc1Br)NCC1(C#N)CCC1 ZINC000418138639 1040646793 /nfs/dbraw/zinc/64/67/93/1040646793.db2.gz GPYTULXAJFQDBL-NSHDSACASA-N 0 3 325.225 3.803 20 30 EHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Nc1ccc(C#N)cc1 ZINC000913459040 1040837007 /nfs/dbraw/zinc/83/70/07/1040837007.db2.gz AYGOLMGWBULCJF-UYAOXDASSA-N 0 3 346.434 3.707 20 30 EHEDHN C#CCN(C(=S)Nc1c(C)cc(C)cc1Cl)C1CCN(C)CC1 ZINC000899614203 1040877072 /nfs/dbraw/zinc/87/70/72/1040877072.db2.gz ZCGKPUNIGAOPGY-UHFFFAOYSA-N 0 3 349.931 3.683 20 30 EHEDHN CC(=O)CCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000123604088 1040881871 /nfs/dbraw/zinc/88/18/71/1040881871.db2.gz LPBWRVIPYKNXON-KRWDZBQOSA-N 0 3 328.412 3.572 20 30 EHEDHN Cc1cnc(C2CCN(CCCOc3cccc(C#N)c3)CC2)s1 ZINC000433169695 1040965754 /nfs/dbraw/zinc/96/57/54/1040965754.db2.gz YFDNJEZIYMZBGI-UHFFFAOYSA-N 0 3 341.480 3.972 20 30 EHEDHN N#CC(C(=O)C=Cc1ccc(Cl)s1)c1nnc2n1CCCCC2 ZINC000054726520 1040983277 /nfs/dbraw/zinc/98/32/77/1040983277.db2.gz IJMDUQIYVWDCCM-PZBABLGHSA-N 0 3 346.843 3.609 20 30 EHEDHN COCCc1nc(C)c([C@H](C)N[C@H](C)c2cccc(C#N)c2)s1 ZINC000092765994 1041016906 /nfs/dbraw/zinc/01/69/06/1041016906.db2.gz CZIFJGVFOPXZFQ-OLZOCXBDSA-N 0 3 329.469 3.924 20 30 EHEDHN COc1ccccc1O[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000586784597 1041019505 /nfs/dbraw/zinc/01/95/05/1041019505.db2.gz RVLSHXZNSTUARM-LJQANCHMSA-N 0 3 336.435 3.919 20 30 EHEDHN COc1ccc(CNC[C@H](OC)c2ccccc2Cl)cc1C#N ZINC000125040114 1041822401 /nfs/dbraw/zinc/82/24/01/1041822401.db2.gz SKVNDCBERDHEAA-SFHVURJKSA-N 0 3 330.815 3.698 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104706164 1042319930 /nfs/dbraw/zinc/31/99/30/1042319930.db2.gz LXOZHFCXCXOLIB-QMIHWGKISA-N 0 3 345.462 3.699 20 30 EHEDHN N#Cc1ccc(CN2CC[C@H](C3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000567434996 1042346481 /nfs/dbraw/zinc/34/64/81/1042346481.db2.gz SOWYJRQXTPXXAC-HNNXBMFYSA-N 0 3 338.373 3.826 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000662079649 1042499515 /nfs/dbraw/zinc/49/95/15/1042499515.db2.gz IDXBUZHWJIFRPP-UXLLHSPISA-N 0 3 330.497 3.767 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCc2ccccc2)cc1 ZINC000105263043 1042816417 /nfs/dbraw/zinc/81/64/17/1042816417.db2.gz INRSXLIAIDVZQF-LJQANCHMSA-N 0 3 334.419 3.919 20 30 EHEDHN C=CCN1CCC(NC(=O)CCC[C@@H](C)c2cccc(OC)c2)CC1 ZINC000278974553 1043106569 /nfs/dbraw/zinc/10/65/69/1043106569.db2.gz GDQUKBRRGURDRZ-QGZVFWFLSA-N 0 3 344.499 3.736 20 30 EHEDHN CCc1nnc(NC[C@H](c2ccco2)N(CC)CC)c(C#N)c1CC ZINC000467800531 1043326052 /nfs/dbraw/zinc/32/60/52/1043326052.db2.gz MKRCOYXRHMBRER-QGZVFWFLSA-N 0 3 341.459 3.561 20 30 EHEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(C)n(C)c2=O)cc1 ZINC000279571689 1044242673 /nfs/dbraw/zinc/24/26/73/1044242673.db2.gz SVEUPINKANXKHM-OAHLLOKOSA-N 0 3 346.858 3.676 20 30 EHEDHN C=CCN1C(=O)c2ccccc2N[C@@]12CCN(C)[C@H](c1ccccc1)C2 ZINC000414186045 1125595905 /nfs/dbraw/zinc/59/59/05/1125595905.db2.gz OWURMJXSHCTJAH-UNMCSNQZSA-N 0 3 347.462 3.904 20 30 EHEDHN N#CCCN(C(=O)CNC1(c2ccccc2)CCC1)c1ccccc1 ZINC000194553949 1127462297 /nfs/dbraw/zinc/46/22/97/1127462297.db2.gz JFEXPZIQJHGUFQ-UHFFFAOYSA-N 0 3 333.435 3.602 20 30 EHEDHN C=C1CCC(C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001127874321 1127622130 /nfs/dbraw/zinc/62/21/30/1127622130.db2.gz XLNMOBAUABYJGM-FQEVSTJZSA-N 0 3 326.484 3.856 20 30 EHEDHN CN(Cc1ccc(Oc2cnccn2)cc1)Cc1cccc(C#N)c1 ZINC000130784248 1127892094 /nfs/dbraw/zinc/89/20/94/1127892094.db2.gz SEAXZTBGZRJBQI-UHFFFAOYSA-N 0 3 330.391 3.773 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000107070268 1128523611 /nfs/dbraw/zinc/52/36/11/1128523611.db2.gz VLAXTJIBBIPVNI-STQMWFEESA-N 0 3 327.815 3.889 20 30 EHEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000302117618 1128620201 /nfs/dbraw/zinc/62/02/01/1128620201.db2.gz SEHHLPYQSMDSSU-QGZVFWFLSA-N 0 3 347.462 3.862 20 30 EHEDHN CC[C@H]1CN(c2ccc(Cl)c(C#N)n2)CCN1Cc1ccccc1 ZINC000302149986 1128622455 /nfs/dbraw/zinc/62/24/55/1128622455.db2.gz JXUMYGHPIHFKBO-INIZCTEOSA-N 0 3 340.858 3.707 20 30 EHEDHN C=CCC[C@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001687384442 1120243880 /nfs/dbraw/zinc/24/38/80/1120243880.db2.gz NKTRXDNOCVUGTB-PMACEKPBSA-N 0 3 341.499 3.710 20 30 EHEDHN C=CCNC(=O)CN[C@H](Cc1ccccc1Cl)c1cccs1 ZINC000494811460 1120856506 /nfs/dbraw/zinc/85/65/06/1120856506.db2.gz LDPSQXKMAVMVOG-OAHLLOKOSA-N 0 3 334.872 3.577 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000032068954 1120881118 /nfs/dbraw/zinc/88/11/18/1120881118.db2.gz AYUHJYQVVQZRMU-MRUVXERFSA-N 0 3 330.403 3.530 20 30 EHEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1cccc2ccccc21 ZINC000027208056 1120993660 /nfs/dbraw/zinc/99/36/60/1120993660.db2.gz ARKZTHHSECIKOG-FQEVSTJZSA-N 0 3 346.430 3.583 20 30 EHEDHN CCN(CC)[C@@H](C/N=C/c1c(O)cccc1OC)c1ccsc1 ZINC000915114081 1121200370 /nfs/dbraw/zinc/20/03/70/1121200370.db2.gz BVKIDUAUQCWHMT-ZVCOJXFSSA-N 0 3 332.469 3.964 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3ccccc3)c(C)c2)CC1 ZINC000762515908 1121333616 /nfs/dbraw/zinc/33/36/16/1121333616.db2.gz RRRCCXHOGMETLI-UHFFFAOYSA-N 0 3 332.447 3.946 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495715082 1121373634 /nfs/dbraw/zinc/37/36/34/1121373634.db2.gz GCABHVWJEJGGIS-QRWLVFNGSA-N 0 3 343.471 3.856 20 30 EHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cscc1C#N ZINC001128250026 1128990658 /nfs/dbraw/zinc/99/06/58/1128990658.db2.gz JSGIFFAIPLIBKL-SFHVURJKSA-N 0 3 341.480 3.506 20 30 EHEDHN C#CC[C@@H](CC(F)(F)F)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496148303 1121978968 /nfs/dbraw/zinc/97/89/68/1121978968.db2.gz SLIYQPQNSNXCEM-JSGCOSHPSA-N 0 3 340.345 3.638 20 30 EHEDHN CC(C)(C)OC(=O)N1CCc2cccc(CN[C@@H]3CC[C@H](C#N)C3)c21 ZINC000496639260 1122139014 /nfs/dbraw/zinc/13/90/14/1122139014.db2.gz BZQLOGSYGDHLSE-WMLDXEAASA-N 0 3 341.455 3.766 20 30 EHEDHN C#CCN(C(=O)N(c1ccccc1)c1ccccc1)C1CCN(C)CC1 ZINC000922024741 1129038709 /nfs/dbraw/zinc/03/87/09/1129038709.db2.gz SFYMUURCUOQNMS-UHFFFAOYSA-N 0 3 347.462 3.974 20 30 EHEDHN C=C(C)CN(C)Cc1cc(Br)c(OC)c(OCC)c1 ZINC000497123898 1122342127 /nfs/dbraw/zinc/34/21/27/1122342127.db2.gz DPSSQTZSCHGQLO-UHFFFAOYSA-N 0 3 328.250 3.864 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC2CCCC2)cc1 ZINC000916947923 1122409109 /nfs/dbraw/zinc/40/91/09/1122409109.db2.gz CEGXCNCUAYZMAM-RDTXWAMCSA-N 0 3 342.439 3.807 20 30 EHEDHN Cc1ccc(CN(C)CC(=O)C(C#N)c2nc3ccccc3s2)o1 ZINC000917018865 1122440732 /nfs/dbraw/zinc/44/07/32/1122440732.db2.gz BSEDSGYSTOSOPS-AWEZNQCLSA-N 0 3 339.420 3.506 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CCCCC1 ZINC000917094249 1122495345 /nfs/dbraw/zinc/49/53/45/1122495345.db2.gz OFHPGUYFGZJRBG-HNNXBMFYSA-N 0 3 341.480 3.985 20 30 EHEDHN C#CCN(C[C@H](O)c1ccc(F)c(F)c1)[C@H]1CCc2ccccc21 ZINC000917119312 1122513421 /nfs/dbraw/zinc/51/34/21/1122513421.db2.gz ZGQYANHTAFPJSG-PMACEKPBSA-N 0 3 327.374 3.621 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)CCC(C)(C)c1ccccc1 ZINC000155081620 1123144674 /nfs/dbraw/zinc/14/46/74/1123144674.db2.gz OVMTVBPCDNSSGZ-QGZVFWFLSA-N 0 3 328.456 3.760 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cccc(SCC#N)c1 ZINC000079547610 1123702386 /nfs/dbraw/zinc/70/23/86/1123702386.db2.gz ANCSKYNYUUICQZ-UHFFFAOYSA-N 0 3 339.464 3.925 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000610134096 1123739084 /nfs/dbraw/zinc/73/90/84/1123739084.db2.gz BAEKAANFYSOZPC-LAUBAEHRSA-N 0 3 341.499 3.904 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000617037546 1124075639 /nfs/dbraw/zinc/07/56/39/1124075639.db2.gz OGCAYLPYOVGTMA-VAMGGRTRSA-N 0 3 341.499 3.545 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180918589 1124101797 /nfs/dbraw/zinc/10/17/97/1124101797.db2.gz BALKBXRGGDKDSB-MSOLQXFVSA-N 0 3 349.478 3.988 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCc2ccccc21 ZINC000734704513 1131268159 /nfs/dbraw/zinc/26/81/59/1131268159.db2.gz RXDPQXQXZUPWIE-WBVHZDCISA-N 0 3 329.403 3.870 20 30 EHEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000069752179 1125038020 /nfs/dbraw/zinc/03/80/20/1125038020.db2.gz LYKCRCJKEGVQGK-OAHLLOKOSA-N 0 3 338.411 3.795 20 30 EHEDHN N#CCOc1ccc(Cl)cc1CN1CCc2ccc(O)cc2CC1 ZINC000735310153 1131334064 /nfs/dbraw/zinc/33/40/64/1131334064.db2.gz RMHTXNQCNCHYSZ-UHFFFAOYSA-N 0 3 342.826 3.549 20 30 EHEDHN CC[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000735311799 1131334700 /nfs/dbraw/zinc/33/47/00/1131334700.db2.gz VTIXUYSWOAMFNE-CABCVRRESA-N 0 3 341.480 3.985 20 30 EHEDHN COc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1NC(C)=O ZINC000618804720 1125207719 /nfs/dbraw/zinc/20/77/19/1125207719.db2.gz LQSVGKYGCOQMPP-YJYMSZOUSA-N 0 3 349.434 3.863 20 30 EHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000618805313 1125208002 /nfs/dbraw/zinc/20/80/02/1125208002.db2.gz GFAQXUVAXIVKDK-RNODOKPDSA-N 0 3 331.419 3.781 20 30 EHEDHN COc1cc2c(cc1OC)[C@@H](N[C@H]1CCc3cc(C#N)ccc31)CC2 ZINC000619465988 1125350795 /nfs/dbraw/zinc/35/07/95/1125350795.db2.gz WUUPHUTYQRXIFX-OALUTQOASA-N 0 3 334.419 3.840 20 30 EHEDHN COc1cc2c(cc1OC)[C@@H](N[C@@H]1CCc3cc(C#N)ccc31)CC2 ZINC000619465987 1125350827 /nfs/dbraw/zinc/35/08/27/1125350827.db2.gz WUUPHUTYQRXIFX-MOPGFXCFSA-N 0 3 334.419 3.840 20 30 EHEDHN COCCCCN(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000092507055 1129549600 /nfs/dbraw/zinc/54/96/00/1129549600.db2.gz UKPVHRGWEPRKLH-UHFFFAOYSA-N 0 3 348.450 3.635 20 30 EHEDHN N#Cc1ccc(CNCCc2nc(-c3ccccn3)cs2)c(F)c1 ZINC000347835867 1129906207 /nfs/dbraw/zinc/90/62/07/1129906207.db2.gz JHQJGXGSPGCUTM-UHFFFAOYSA-N 0 3 338.411 3.548 20 30 EHEDHN C#CCC(C)(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000804128908 1130558510 /nfs/dbraw/zinc/55/85/10/1130558510.db2.gz UTXZSFFRYPRNIY-QGZVFWFLSA-N 0 3 334.891 3.889 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2ccccc2Cl)CC1 ZINC000730024707 1130664553 /nfs/dbraw/zinc/66/45/53/1130664553.db2.gz RBHQHHIEHIFPFJ-HNNXBMFYSA-N 0 3 349.906 3.611 20 30 EHEDHN CN1CCC(N(C(=O)/C=C/c2ccccc2C#N)c2ccccc2)CC1 ZINC000732732705 1130953688 /nfs/dbraw/zinc/95/36/88/1130953688.db2.gz ISJIDJCPZBDJBB-VAWYXSNFSA-N 0 3 345.446 3.699 20 30 EHEDHN CSCC[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736319124 1131416387 /nfs/dbraw/zinc/41/63/87/1131416387.db2.gz USFYFHKYYCQQTC-OLZOCXBDSA-N 0 3 347.509 3.546 20 30 EHEDHN N#CC(C(=O)C[C@H]1C(=O)Nc2ccccc21)c1ccc2ccccc2n1 ZINC000741110622 1131576365 /nfs/dbraw/zinc/57/63/65/1131576365.db2.gz KIXLUGUBUUXDJZ-CVEARBPZSA-N 0 3 341.370 3.537 20 30 EHEDHN COc1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1C#N ZINC000742369087 1131711051 /nfs/dbraw/zinc/71/10/51/1131711051.db2.gz MGMZILOTSVHMNP-UHFFFAOYSA-N 0 3 335.451 3.847 20 30 EHEDHN CCCCCCCC[C@@H](CC)n1nc(C(=O)N(C)C)c2c1CCNC2 ZINC001172505677 1131762216 /nfs/dbraw/zinc/76/22/16/1131762216.db2.gz RPPAPRPAWPTTCY-MRXNPFEDSA-N 0 3 348.535 3.932 20 30 EHEDHN CC(C)OC(=O)CC[C@H](C)N1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001172771981 1131841382 /nfs/dbraw/zinc/84/13/82/1131841382.db2.gz ARNOJKAVDVMLMY-WMZOPIPTSA-N 0 3 344.455 3.522 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC2(F)CCCCC2)C[C@H]1C#N ZINC001172967464 1131920322 /nfs/dbraw/zinc/92/03/22/1131920322.db2.gz XLNUEJJBRCOTSR-GJZGRUSLSA-N 0 3 339.455 3.540 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(Cl)cc2)C[C@H]1C#N ZINC001172967518 1131920515 /nfs/dbraw/zinc/92/05/15/1131920515.db2.gz JULDOQVHDZZWOL-CVEARBPZSA-N 0 3 349.862 3.721 20 30 EHEDHN CN(C)Cc1ccccc1Nc1cc(C(F)(F)F)c(C#N)cc1N ZINC001173932179 1132189645 /nfs/dbraw/zinc/18/96/45/1132189645.db2.gz RWIGNHBGYZUWJW-UHFFFAOYSA-N 0 3 334.345 3.964 20 30 EHEDHN CCN1CCN(c2ccc(Nc3cc(F)c(F)c(C#N)c3)cc2)CC1 ZINC001175781471 1132764406 /nfs/dbraw/zinc/76/44/06/1132764406.db2.gz IRXASUPMNQVKCV-UHFFFAOYSA-N 0 3 342.393 3.722 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000766915418 1132913788 /nfs/dbraw/zinc/91/37/88/1132913788.db2.gz MOWMTNUQJVJWPD-TZIWHRDSSA-N 0 3 336.435 3.655 20 30 EHEDHN C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001176364827 1132922252 /nfs/dbraw/zinc/92/22/52/1132922252.db2.gz HBYWDVRFKBLOQZ-UZLBHIALSA-N 0 3 333.435 3.765 20 30 EHEDHN CCC[C@H]1CCCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001176778639 1132997168 /nfs/dbraw/zinc/99/71/68/1132997168.db2.gz YXTUSZDOCCHSHO-SFHVURJKSA-N 0 3 327.472 3.815 20 30 EHEDHN N#CCc1cccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000067360812 1133035654 /nfs/dbraw/zinc/03/56/54/1133035654.db2.gz NQUYJVQRBRQMEI-NRFANRHFSA-N 0 3 347.462 3.537 20 30 EHEDHN CSC=CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000771578870 1133573645 /nfs/dbraw/zinc/57/36/45/1133573645.db2.gz POPKXMRTUNZOAK-OTDNITJGSA-N 0 3 329.208 3.517 20 30 EHEDHN Cc1cc(CN(C)CCOCc2ccc(C#N)cc2)c2c(n1)CCCC2 ZINC001182136744 1133576911 /nfs/dbraw/zinc/57/69/11/1133576911.db2.gz BSPKBJCBSMISCW-UHFFFAOYSA-N 0 3 349.478 3.789 20 30 EHEDHN CCCCN(CC)[C@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC001182236369 1133596758 /nfs/dbraw/zinc/59/67/58/1133596758.db2.gz QUTOERNDFNRMAE-SFHVURJKSA-N 0 3 327.472 3.660 20 30 EHEDHN CC[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000774265733 1133650057 /nfs/dbraw/zinc/65/00/57/1133650057.db2.gz GVOYCHXUMPLLJM-RTWAWAEBSA-N 0 3 347.462 3.790 20 30 EHEDHN CCOCc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000785616905 1133732963 /nfs/dbraw/zinc/73/29/63/1133732963.db2.gz YHCFSTGDVJLWEA-HXUWFJFHSA-N 0 3 336.435 3.880 20 30 EHEDHN N#Cc1ccc(COC(=O)c2cccc(CN3CCCC3)c2)c(F)c1 ZINC000785712904 1133746465 /nfs/dbraw/zinc/74/64/65/1133746465.db2.gz HZQKAFCLXLOFGB-UHFFFAOYSA-N 0 3 338.382 3.650 20 30 EHEDHN C=CCCCCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000785812820 1133754051 /nfs/dbraw/zinc/75/40/51/1133754051.db2.gz ISYVEIUEHKDHQL-UHFFFAOYSA-N 0 3 348.487 3.581 20 30 EHEDHN C#CC1(O)CCN(Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC001183053218 1133764082 /nfs/dbraw/zinc/76/40/82/1133764082.db2.gz KFPOMZGSNBYLBN-UHFFFAOYSA-N 0 3 335.447 3.631 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCCCC(C)C)c1 ZINC000786548515 1133873018 /nfs/dbraw/zinc/87/30/18/1133873018.db2.gz LLSLPZFUZYSCSC-SFHVURJKSA-N 0 3 328.456 3.927 20 30 EHEDHN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)NCc2cccc(C)c2)C1(C)C ZINC000786550343 1133873961 /nfs/dbraw/zinc/87/39/61/1133873961.db2.gz OIVWEZOCXXLICK-RCCFBDPRSA-N 0 3 338.451 3.559 20 30 EHEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786555489 1133874891 /nfs/dbraw/zinc/87/48/91/1133874891.db2.gz UBYJPLMEEKDFSC-BLLLJJGKSA-N 0 3 348.393 3.506 20 30 EHEDHN C=CC[C@H](N[C@@H](C)c1ccc(N2CCNC2=O)cc1)c1ccncc1 ZINC000786830150 1133905802 /nfs/dbraw/zinc/90/58/02/1133905802.db2.gz PMVDRJIXJHAOBS-KXBFYZLASA-N 0 3 336.439 3.579 20 30 EHEDHN C=CC[C@@H](N[C@H](C)c1ccc(N2CCNC2=O)cc1)c1ccncc1 ZINC000786830143 1133906069 /nfs/dbraw/zinc/90/60/69/1133906069.db2.gz PMVDRJIXJHAOBS-DNVCBOLYSA-N 0 3 336.439 3.579 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074542 1133946518 /nfs/dbraw/zinc/94/65/18/1133946518.db2.gz ZSDKZTMDKGGREB-KBAYOESNSA-N 0 3 326.440 3.570 20 30 EHEDHN C[C@@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)CC(C)(C)C ZINC000787073360 1133946694 /nfs/dbraw/zinc/94/66/94/1133946694.db2.gz ONFIDJDEBRVYCW-DOTOQJQBSA-N 0 3 328.456 3.816 20 30 EHEDHN C#CCC1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CCCCC1 ZINC000788212135 1134095254 /nfs/dbraw/zinc/09/52/54/1134095254.db2.gz FHOZWLMNEFSQBJ-SFHVURJKSA-N 0 3 326.484 3.597 20 30 EHEDHN CN(C)[C@@H]1CCOc2c(Nc3snc(Cl)c3C#N)cccc21 ZINC000788577168 1134147368 /nfs/dbraw/zinc/14/73/68/1134147368.db2.gz OCYPVYJSWMQQOF-GFCCVEGCSA-N 0 3 334.832 3.797 20 30 EHEDHN CC(C)C[C@@]1(CO)CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000789512920 1134288779 /nfs/dbraw/zinc/28/87/79/1134288779.db2.gz CRKKKMLQOCNTAY-GOSISDBHSA-N 0 3 336.863 3.615 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cccc(Cl)c1Cl ZINC001189243449 1134556415 /nfs/dbraw/zinc/55/64/15/1134556415.db2.gz DVTYRGYFKJZAQT-NSHDSACASA-N 0 3 328.243 3.765 20 30 EHEDHN C#CC[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000775401375 1134730011 /nfs/dbraw/zinc/73/00/11/1134730011.db2.gz SVVDXMBNPGTTQA-GGAORHGYSA-N 0 3 345.442 3.934 20 30 EHEDHN CCCCCCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001191096912 1134791492 /nfs/dbraw/zinc/79/14/92/1134791492.db2.gz CQVDMCPBJCBRGM-UHFFFAOYSA-N 0 3 331.504 3.874 20 30 EHEDHN C=CC[C@@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC001196443023 1135557720 /nfs/dbraw/zinc/55/77/20/1135557720.db2.gz SWXMQDTZUWBADJ-DYESRHJHSA-N 0 3 326.484 3.932 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC001196480375 1135566568 /nfs/dbraw/zinc/56/65/68/1135566568.db2.gz URVGHTDYIXANSK-KDURUIRLSA-N 0 3 349.396 3.950 20 30 EHEDHN CC(C)(C)CCC(=NNC1=N[C@H]2CCCC[C@H]2N1)c1cscn1 ZINC000807979388 1135597571 /nfs/dbraw/zinc/59/75/71/1135597571.db2.gz RFVMQRFIXKYKJK-BETUJISGSA-N 0 3 333.505 3.534 20 30 EHEDHN N#Cc1ccc(CN2C[C@H]3COC[C@@]3(c3ccccc3)C2)c(Cl)c1 ZINC001197683711 1135725513 /nfs/dbraw/zinc/72/55/13/1135725513.db2.gz ZQXSLBNTZYXELO-AZUAARDMSA-N 0 3 338.838 3.612 20 30 EHEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000775785994 1135734234 /nfs/dbraw/zinc/73/42/34/1135734234.db2.gz RBQJVGLVNGQTIF-VNHYZAJKSA-N 0 3 327.453 3.593 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]3CCC[C@H]32)cc1C ZINC000747530968 1135745899 /nfs/dbraw/zinc/74/58/99/1135745899.db2.gz SETPJQZHWXWKFE-AZUAARDMSA-N 0 3 339.483 3.815 20 30 EHEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cc(Cl)ccc1OCC#N ZINC000775873149 1135834032 /nfs/dbraw/zinc/83/40/32/1135834032.db2.gz ZPMBJLTXZLFMPP-WMZOPIPTSA-N 0 3 336.863 3.926 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000776007254 1135919149 /nfs/dbraw/zinc/91/91/49/1135919149.db2.gz QZIIWFOVFVSUME-LEWJYISDSA-N 0 3 341.499 3.952 20 30 EHEDHN N#Cc1ccc(CNC[C@@H](O)c2ccccc2F)c(C(F)(F)F)c1 ZINC000810134759 1135926084 /nfs/dbraw/zinc/92/60/84/1135926084.db2.gz WGYOEZCXBVYWTF-MRXNPFEDSA-N 0 3 338.304 3.539 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)CCCc1ccccc1Cl ZINC000810529056 1135970508 /nfs/dbraw/zinc/97/05/08/1135970508.db2.gz ZMPCTNUZKYBAFZ-HNNXBMFYSA-N 0 3 334.847 3.678 20 30 EHEDHN CCCCCCCN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001201776940 1136065551 /nfs/dbraw/zinc/06/55/51/1136065551.db2.gz PPJVGVGWLUYYQB-GUDVDZBRSA-N 0 3 332.488 3.910 20 30 EHEDHN CN(C)c1ncc(C=NN(Cc2ccccc2)Cc2ccccc2)n1C ZINC000811635749 1136114664 /nfs/dbraw/zinc/11/46/64/1136114664.db2.gz KAYYTYOSNXIJIO-UHFFFAOYSA-N 0 3 347.466 3.522 20 30 EHEDHN C=CCc1cc(OCC)cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000811776109 1136134218 /nfs/dbraw/zinc/13/42/18/1136134218.db2.gz ABQPKNMSNIPOQN-AZUAARDMSA-N 0 3 345.483 3.909 20 30 EHEDHN N#Cc1ccc(-c2cccc(CNCc3cnn4c3CCC4)c2)s1 ZINC000850153202 1136215221 /nfs/dbraw/zinc/21/52/21/1136215221.db2.gz UZDJEENLFJMGHN-UHFFFAOYSA-N 0 3 334.448 3.719 20 30 EHEDHN C#C[C@H](N[C@@H](C)CCc1ccc(OC)c(O)c1)c1ccc(F)cc1 ZINC000812792883 1136251808 /nfs/dbraw/zinc/25/18/08/1136251808.db2.gz JUIAAYNYNMJXON-KSSFIOAISA-N 0 3 327.399 3.825 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C1CC1)C1CC1 ZINC000747824797 1136267216 /nfs/dbraw/zinc/26/72/16/1136267216.db2.gz SJAOFOFYPUJRAO-AWEZNQCLSA-N 0 3 339.464 3.593 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000850738021 1136298351 /nfs/dbraw/zinc/29/83/51/1136298351.db2.gz BHALPRKBGGXROJ-XHBKTUGNSA-N 0 3 343.377 3.965 20 30 EHEDHN C=CCOc1ccccc1CNC[C@@](C)(O)c1ccc(F)cc1F ZINC000114509382 1136800188 /nfs/dbraw/zinc/80/01/88/1136800188.db2.gz CJPMGJZNOALSLH-LJQANCHMSA-N 0 3 333.378 3.527 20 30 EHEDHN N#CCOc1ccc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858046407 1136935034 /nfs/dbraw/zinc/93/50/34/1136935034.db2.gz MTMVCFPETJZGRP-FQEVSTJZSA-N 0 3 349.434 3.515 20 30 EHEDHN C#Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)cc1 ZINC001136215842 1136938055 /nfs/dbraw/zinc/93/80/55/1136938055.db2.gz RCTZKRABTWHDST-SFHVURJKSA-N 0 3 326.465 3.542 20 30 EHEDHN COc1ccc([C@@H](NCc2ccc(O[C@H](C)C#N)cc2)C2CC2)cn1 ZINC000858342329 1136959966 /nfs/dbraw/zinc/95/99/66/1136959966.db2.gz MVXPXFAIBOPWSP-VLIAUNLRSA-N 0 3 337.423 3.622 20 30 EHEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCN(C3CCC3)C2=O)cc1 ZINC000858603897 1136981918 /nfs/dbraw/zinc/98/19/18/1136981918.db2.gz XPXDFJRJUSLHIQ-RDTXWAMCSA-N 0 3 348.874 3.622 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858605852 1136982281 /nfs/dbraw/zinc/98/22/81/1136982281.db2.gz ZVOQQYRMDKXNBO-QVKFZJNVSA-N 0 3 336.435 3.904 20 30 EHEDHN Cc1ccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1C#N ZINC000859230167 1137008911 /nfs/dbraw/zinc/00/89/11/1137008911.db2.gz SDAVMXZKOIOYOV-HNNXBMFYSA-N 0 3 335.407 3.674 20 30 EHEDHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1C#N ZINC000859230470 1137009046 /nfs/dbraw/zinc/00/90/46/1137009046.db2.gz YNSKISCRTAHFKT-HNNXBMFYSA-N 0 3 335.407 3.674 20 30 EHEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc(Cl)n1 ZINC000859883297 1137035977 /nfs/dbraw/zinc/03/59/77/1137035977.db2.gz SJLLWWLEOPXTNH-UHFFFAOYSA-N 0 3 341.842 3.711 20 30 EHEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000860468961 1137061804 /nfs/dbraw/zinc/06/18/04/1137061804.db2.gz GVCGDCFZFMBPLW-DLBZAZTESA-N 0 3 344.455 3.664 20 30 EHEDHN C[C@@H]1C[C@@H](CN(CCC#N)CC2CC2)CCN1C(=O)OC(C)(C)C ZINC000823437873 1137099516 /nfs/dbraw/zinc/09/95/16/1137099516.db2.gz QFOISNMIFNJELT-WBVHZDCISA-N 0 3 335.492 3.648 20 30 EHEDHN C=CC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000862442032 1137144734 /nfs/dbraw/zinc/14/47/34/1137144734.db2.gz XDOHBUWOPGSQRE-LLVKDONJSA-N 0 3 326.234 3.561 20 30 EHEDHN C=CC[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000862442032 1137144736 /nfs/dbraw/zinc/14/47/36/1137144736.db2.gz XDOHBUWOPGSQRE-LLVKDONJSA-N 0 3 326.234 3.561 20 30 EHEDHN Cc1ccc2c(CN3CCN(c4ccc(C#N)cc4)CC3)c[nH]c2c1 ZINC001136973130 1137161314 /nfs/dbraw/zinc/16/13/14/1137161314.db2.gz NGOPKCZNMHIVFU-UHFFFAOYSA-N 0 3 330.435 3.670 20 30 EHEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2cccc(C)n2)ccc1[O-] ZINC000863161981 1137172159 /nfs/dbraw/zinc/17/21/59/1137172159.db2.gz OFAGCFIGYKXJGT-UHFFFAOYSA-N 0 3 326.444 3.774 20 30 EHEDHN C#Cc1cccc(N(CC)C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000844376830 1137218085 /nfs/dbraw/zinc/21/80/85/1137218085.db2.gz UZYSIRIYAVXQMX-JKSUJKDBSA-N 0 3 339.357 3.768 20 30 EHEDHN C=CC[C@@H](C)C(=O)N(C)C[C@H]1CCCCN1Cc1ccc(OC)cc1 ZINC001144017795 1137229300 /nfs/dbraw/zinc/22/93/00/1137229300.db2.gz NCPNAPBVAUXMCA-IEBWSBKVSA-N 0 3 344.499 3.720 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(ccnc3Cl)s2)CC1 ZINC000865194467 1137268127 /nfs/dbraw/zinc/26/81/27/1137268127.db2.gz WKSARMYXFPUMMF-UHFFFAOYSA-N 0 3 349.887 3.720 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@@H]1CCOc2cc(F)cc(F)c21 ZINC001171191827 1137298596 /nfs/dbraw/zinc/29/85/96/1137298596.db2.gz GICCIASQRWLADM-YVEFUNNKSA-N 0 3 328.362 3.881 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1ccn(Cc2ccccc2)n1 ZINC001171193182 1137299906 /nfs/dbraw/zinc/29/99/06/1137299906.db2.gz URARZCSUZHUBPY-QGZVFWFLSA-N 0 3 330.435 3.524 20 30 EHEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc3scnc3c1)C2 ZINC001144737632 1137341224 /nfs/dbraw/zinc/34/12/24/1137341224.db2.gz XPLXCFWKBVULKT-VQIMIIECSA-N 0 3 344.480 3.622 20 30 EHEDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c([O-])c1 ZINC000846211359 1137343662 /nfs/dbraw/zinc/34/36/62/1137343662.db2.gz DLXUTQSOMOFWDZ-QGZVFWFLSA-N 0 3 349.478 3.888 20 30 EHEDHN CCc1ccc([C@@H](C)CC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000121673692 1137381041 /nfs/dbraw/zinc/38/10/41/1137381041.db2.gz DALUGPXTLCMOLL-HNAYVOBHSA-N 0 3 340.467 3.900 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCCC2(CCC2)C1 ZINC000348167141 1137449654 /nfs/dbraw/zinc/44/96/54/1137449654.db2.gz ISMZMSOLKRFZKV-INIZCTEOSA-N 0 3 332.513 3.917 20 30 EHEDHN C[C@@H](CCc1ccc(F)cc1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000870135727 1137478562 /nfs/dbraw/zinc/47/85/62/1137478562.db2.gz DNCDUXYRWZZFQP-KBXCAEBGSA-N 0 3 338.382 3.742 20 30 EHEDHN COc1cc(C#N)ccc1OCCNC1(c2ccccc2F)CCC1 ZINC001171521841 1137496214 /nfs/dbraw/zinc/49/62/14/1137496214.db2.gz HWLAYBWOTRQHHY-UHFFFAOYSA-N 0 3 340.398 3.754 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC000870983872 1137517060 /nfs/dbraw/zinc/51/70/60/1137517060.db2.gz YXBVPSPVIJRZEM-GOSISDBHSA-N 0 3 347.890 3.532 20 30 EHEDHN N#CC1(CNC2CCN(c3ccc(Br)cc3)CC2)CCC1 ZINC001171989912 1137522300 /nfs/dbraw/zinc/52/23/00/1137522300.db2.gz JAUFAYHUPYDTFB-UHFFFAOYSA-N 0 3 348.288 3.701 20 30 EHEDHN COC(=O)C1(c2ccc(Cl)cc2)CCC(N2CC(CC#N)C2)CC1 ZINC001172213577 1137541691 /nfs/dbraw/zinc/54/16/91/1137541691.db2.gz POGCENOFFFTENP-UHFFFAOYSA-N 0 3 346.858 3.539 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)C2CCC=CCC2)cc1Cl ZINC000873497330 1137601054 /nfs/dbraw/zinc/60/10/54/1137601054.db2.gz FIWSNMFKQDNFRN-AWEZNQCLSA-N 0 3 346.814 3.742 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2c(C)cc(C(F)(F)F)cc2C)CC1 ZINC000874811482 1137623588 /nfs/dbraw/zinc/62/35/88/1137623588.db2.gz WYUJVXFOQHCBKI-UHFFFAOYSA-N 0 3 338.373 3.606 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 ZINC000876611676 1137657038 /nfs/dbraw/zinc/65/70/38/1137657038.db2.gz NVHGDNYFXHRAMI-ZDUSSCGKSA-N 0 3 335.662 3.812 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000876629619 1137657507 /nfs/dbraw/zinc/65/75/07/1137657507.db2.gz KGCHSQOHJGVWPJ-GFCCVEGCSA-N 0 3 335.662 3.815 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000876647239 1137658018 /nfs/dbraw/zinc/65/80/18/1137658018.db2.gz AWUDITRXJPAHNU-INIZCTEOSA-N 0 3 342.817 3.706 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000876673107 1137658786 /nfs/dbraw/zinc/65/87/86/1137658786.db2.gz UHRCHTKBOYOIBL-SECBINFHSA-N 0 3 338.782 3.591 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000876686120 1137659012 /nfs/dbraw/zinc/65/90/12/1137659012.db2.gz QDVAYMUYBFJMGY-AWEZNQCLSA-N 0 3 326.799 3.556 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000876708744 1137659640 /nfs/dbraw/zinc/65/96/40/1137659640.db2.gz ZINCHQYTXVAAQL-CYBMUJFWSA-N 0 3 342.270 3.739 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NCc1c(OC(C)C)ccc2ccccc21 ZINC000876897693 1137664866 /nfs/dbraw/zinc/66/48/66/1137664866.db2.gz MDOISSUEWCHQFV-KRWDZBQOSA-N 0 3 346.858 3.713 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000876901509 1137664987 /nfs/dbraw/zinc/66/49/87/1137664987.db2.gz FNSBIGUKMBMMCM-NOZJJQNGSA-N 0 3 335.662 3.511 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCCOC)cc1 ZINC000126275510 1137666687 /nfs/dbraw/zinc/66/66/87/1137666687.db2.gz PNUXRABIHORQQO-WMLDXEAASA-N 0 3 330.428 3.664 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000876984963 1137666908 /nfs/dbraw/zinc/66/69/08/1137666908.db2.gz QXBLERIMGZVEOZ-ZDUSSCGKSA-N 0 3 346.780 3.671 20 30 EHEDHN CCCO[C@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878088043 1137701825 /nfs/dbraw/zinc/70/18/25/1137701825.db2.gz FTEVADJAHPYFFW-LEWJYISDSA-N 0 3 342.483 3.708 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879920048 1137762508 /nfs/dbraw/zinc/76/25/08/1137762508.db2.gz VUMHXLPXKLGNDS-MRXNPFEDSA-N 0 3 338.455 3.793 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879920048 1137762509 /nfs/dbraw/zinc/76/25/09/1137762509.db2.gz VUMHXLPXKLGNDS-MRXNPFEDSA-N 0 3 338.455 3.793 20 30 EHEDHN COCc1c(C)cc(C)c(CNCc2ccc(OC)c(C#N)c2)c1C ZINC000883073303 1137843575 /nfs/dbraw/zinc/84/35/75/1137843575.db2.gz LYDWESPACNCTBK-UHFFFAOYSA-N 0 3 338.451 3.928 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2cccc(Cl)c2)CC1 ZINC000106275800 1137883145 /nfs/dbraw/zinc/88/31/45/1137883145.db2.gz PLXPRKONNAKRRQ-UHFFFAOYSA-N 0 3 349.906 3.912 20 30 EHEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)NCCN1CCCCC1 ZINC000108532595 1137889963 /nfs/dbraw/zinc/88/99/63/1137889963.db2.gz QRXMEPYQJFDIOS-HNNXBMFYSA-N 0 3 346.500 3.546 20 30 EHEDHN CCCC[C@H](CC)CCCN(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884422376 1137959650 /nfs/dbraw/zinc/95/96/50/1137959650.db2.gz VMMADVVBBZWQEQ-SARBKMAYSA-N 0 3 333.520 3.581 20 30 EHEDHN N#Cc1ccc(OC2CCN(C[C@@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC000885985835 1138030621 /nfs/dbraw/zinc/03/06/21/1138030621.db2.gz SBELZTARRCLAOT-FQEVSTJZSA-N 0 3 340.467 3.751 20 30 EHEDHN COc1ccc(CNCc2ccc(SC)c(C#N)c2)cc1OC ZINC000886279178 1138063859 /nfs/dbraw/zinc/06/38/59/1138063859.db2.gz RHFPSCASAQHNAB-UHFFFAOYSA-N 0 3 328.437 3.587 20 30 EHEDHN C=CCC1(O)CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000886761546 1138133972 /nfs/dbraw/zinc/13/39/72/1138133972.db2.gz GIOKMYDAGYZATA-UHFFFAOYSA-N 0 3 329.362 3.531 20 30 EHEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000090107381 1138209528 /nfs/dbraw/zinc/20/95/28/1138209528.db2.gz MCOBSSXPQBMZOL-AWEZNQCLSA-N 0 3 326.444 3.548 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000264994653 1138697299 /nfs/dbraw/zinc/69/72/99/1138697299.db2.gz XSNHMTYDAJOCPW-UHFFFAOYSA-N 0 3 347.361 3.598 20 30 EHEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000338351068 1138847145 /nfs/dbraw/zinc/84/71/45/1138847145.db2.gz RHYWPONWBYORPZ-KRWDZBQOSA-N 0 3 327.472 3.834 20 30 EHEDHN CC(C)CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000338391648 1138884563 /nfs/dbraw/zinc/88/45/63/1138884563.db2.gz HYAUFFHYHSMRPU-UHFFFAOYSA-N 0 3 333.863 3.707 20 30 EHEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000174295259 1139412387 /nfs/dbraw/zinc/41/23/87/1139412387.db2.gz OCLAMPFVFNVRKQ-KRWDZBQOSA-N 0 3 338.407 3.579 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)CC1 ZINC000176522964 1139562486 /nfs/dbraw/zinc/56/24/86/1139562486.db2.gz CLKNOVNEOMGMNZ-GOSISDBHSA-N 0 3 334.891 3.846 20 30 EHEDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000177995575 1139662184 /nfs/dbraw/zinc/66/21/84/1139662184.db2.gz LJTYZMCOFWWAIP-KRWDZBQOSA-N 0 3 334.341 3.742 20 30 EHEDHN CCc1nc2c(s1)[C@@H](NCc1ccc(OCC#N)cc1)CCC2 ZINC000180560286 1139846699 /nfs/dbraw/zinc/84/66/99/1139846699.db2.gz XISNSJMVEDJPBB-HNNXBMFYSA-N 0 3 327.453 3.775 20 30 EHEDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C)cc1 ZINC000190627210 1140412275 /nfs/dbraw/zinc/41/22/75/1140412275.db2.gz VKERYGATKRKGEC-NHCUHLMSSA-N 0 3 347.462 3.709 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000266702371 1140717067 /nfs/dbraw/zinc/71/70/67/1140717067.db2.gz GWTMAVXHVQDNHV-GOSISDBHSA-N 0 3 347.890 3.837 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000268953327 1141032892 /nfs/dbraw/zinc/03/28/92/1141032892.db2.gz YCDRWPJSXUOWDM-CVEARBPZSA-N 0 3 348.446 3.629 20 30 EHEDHN CCC(=O)N1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000122722184 222144670 /nfs/dbraw/zinc/14/46/70/222144670.db2.gz KINJXBGUIMKKOA-UHFFFAOYSA-N 0 3 347.462 3.670 20 30 EHEDHN C=CCC[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823894257 608537837 /nfs/dbraw/zinc/53/78/37/608537837.db2.gz LLABIGQZIHAQKC-GOSISDBHSA-N 0 3 337.402 3.803 20 30 EHEDHN C=CCC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823894257 608537838 /nfs/dbraw/zinc/53/78/38/608537838.db2.gz LLABIGQZIHAQKC-GOSISDBHSA-N 0 3 337.402 3.803 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](c2ccccc2F)C1 ZINC000339380515 1014303039 /nfs/dbraw/zinc/30/30/39/1014303039.db2.gz XTHYTWNOZMYSSC-MRXNPFEDSA-N 0 3 340.398 3.574 20 30 EHEDHN C=CCOc1ccccc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000471135593 1014718847 /nfs/dbraw/zinc/71/88/47/1014718847.db2.gz CLRHSIRMKFPCSV-OXJNMPFZSA-N 0 3 338.451 3.673 20 30 EHEDHN C[C@H](c1ccccc1)N(CC(=O)N[C@](C)(C#N)C1CC1)CC1CCC1 ZINC000246879366 1014850337 /nfs/dbraw/zinc/85/03/37/1014850337.db2.gz FRZMOUPCXADZFP-IIBYNOLFSA-N 0 3 339.483 3.658 20 30 EHEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCc2ccc(C#N)cc21 ZINC000339820788 1015695197 /nfs/dbraw/zinc/69/51/97/1015695197.db2.gz LPFRUZKZTXIPJO-UHFFFAOYSA-N 0 3 345.402 3.569 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000459475900 1032190687 /nfs/dbraw/zinc/19/06/87/1032190687.db2.gz ZBGFNDGAHPYWPM-UHFFFAOYSA-N 0 3 342.468 3.524 20 30 EHEDHN N#CCC1(CNCc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459504673 1032205606 /nfs/dbraw/zinc/20/56/06/1032205606.db2.gz DEIQTYWQMQROME-UHFFFAOYSA-N 0 3 335.455 3.844 20 30 EHEDHN Cc1ccccc1[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)C(C)C ZINC000537059320 1032497900 /nfs/dbraw/zinc/49/79/00/1032497900.db2.gz BIKIKJNJRBUUGJ-HXUWFJFHSA-N 0 3 341.499 3.967 20 30 EHEDHN C=C(C)c1cccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000890891425 1017253179 /nfs/dbraw/zinc/25/31/79/1017253179.db2.gz ZCEGRJPUBBKBJN-LJQANCHMSA-N 0 3 335.451 3.965 20 30 EHEDHN C=C(C)c1cccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000890888881 1017257592 /nfs/dbraw/zinc/25/75/92/1017257592.db2.gz LTXKVWCQRBVCIQ-GJZGRUSLSA-N 0 3 343.345 3.642 20 30 EHEDHN N#Cc1cc(F)ccc1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000377124206 1017354855 /nfs/dbraw/zinc/35/48/55/1017354855.db2.gz DCXPUMABWBNVLY-NJYVYQBISA-N 0 3 336.410 3.702 20 30 EHEDHN N#Cc1ccc(CNCCc2nc(-c3cccc(Cl)c3)no2)s1 ZINC000176970280 1017546913 /nfs/dbraw/zinc/54/69/13/1017546913.db2.gz BZZBNHOLXGKXHS-UHFFFAOYSA-N 0 3 344.827 3.655 20 30 EHEDHN N#Cc1cccc(COc2cccc(CN3CC([C@@H]4CCOC4)C3)c2)c1 ZINC000365563340 1017741218 /nfs/dbraw/zinc/74/12/18/1017741218.db2.gz STXQSQQUZPBGAZ-HXUWFJFHSA-N 0 3 348.446 3.606 20 30 EHEDHN CC[C@H]1C[C@H](C)CN1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000466929880 1018007487 /nfs/dbraw/zinc/00/74/87/1018007487.db2.gz UUZLYJWBNWUJMT-ROUUACIJSA-N 0 3 327.472 3.671 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000594004991 1032756988 /nfs/dbraw/zinc/75/69/88/1032756988.db2.gz RULFQDOZHZERII-WWMYMODYSA-N 0 3 349.478 3.544 20 30 EHEDHN N#Cc1csc(CNCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000177682795 1018378878 /nfs/dbraw/zinc/37/88/78/1018378878.db2.gz REIKANOCLKCRSR-UHFFFAOYSA-N 0 3 326.343 3.851 20 30 EHEDHN COC(=O)c1cc(CN[C@@H](C)c2ccc(C#N)cc2)[nH]c1C(C)C ZINC000894165697 1018826609 /nfs/dbraw/zinc/82/66/09/1018826609.db2.gz RZFYQOFVAONJPM-ZDUSSCGKSA-N 0 3 325.412 3.647 20 30 EHEDHN C[C@H]1CN(CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccccc1 ZINC000177826275 1020102724 /nfs/dbraw/zinc/10/27/24/1020102724.db2.gz HNHKFIRTNWQXRR-GUYCJALGSA-N 0 3 325.437 3.641 20 30 EHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345301703 1020138772 /nfs/dbraw/zinc/13/87/72/1020138772.db2.gz QEMPVJMFCLACRK-QLFBSQMISA-N 0 3 346.500 3.685 20 30 EHEDHN CC(C)(C#N)CCCN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000280284318 1020251872 /nfs/dbraw/zinc/25/18/72/1020251872.db2.gz DRNNMTMEWODBSI-CYBMUJFWSA-N 0 3 330.350 3.538 20 30 EHEDHN Fc1ccc(C#CCN2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000580968376 1020317904 /nfs/dbraw/zinc/31/79/04/1020317904.db2.gz OKQRWVKEAWRIML-IBGZPJMESA-N 0 3 333.410 3.692 20 30 EHEDHN C[C@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1cccc(C#N)c1 ZINC000276250845 1020961215 /nfs/dbraw/zinc/96/12/15/1020961215.db2.gz WEZCELCCJIMLDS-HNAYVOBHSA-N 0 3 325.456 3.533 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(Br)s1 ZINC000602508703 1032943537 /nfs/dbraw/zinc/94/35/37/1032943537.db2.gz VZGVZGKYAMMUTI-NSHDSACASA-N 0 3 343.290 3.699 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1csc(Br)c1 ZINC000602509270 1032943764 /nfs/dbraw/zinc/94/37/64/1032943764.db2.gz DSDZHMXGGSSHAQ-LLVKDONJSA-N 0 3 343.290 3.699 20 30 EHEDHN Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@H](N)CCCCC#N ZINC000602523660 1032958258 /nfs/dbraw/zinc/95/82/58/1032958258.db2.gz DVWIWFFTHNVFLQ-LJQANCHMSA-N 0 3 329.488 3.699 20 30 EHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](N)c1ccccc1 ZINC000602530763 1032964152 /nfs/dbraw/zinc/96/41/52/1032964152.db2.gz QAMRLHMRZJVUFA-HXUWFJFHSA-N 0 3 335.451 3.633 20 30 EHEDHN COc1cccc(NC(=O)[C@@H](NCCCCC#N)c2ccccc2)c1 ZINC000507467431 1021282278 /nfs/dbraw/zinc/28/22/78/1021282278.db2.gz KWVNAVKMVITLQA-IBGZPJMESA-N 0 3 337.423 3.658 20 30 EHEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)Nc2ccccc2)s1 ZINC000176018670 1021478055 /nfs/dbraw/zinc/47/80/55/1021478055.db2.gz CPBSICUZCHXREJ-MRXNPFEDSA-N 0 3 326.421 3.727 20 30 EHEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000516494390 1021487742 /nfs/dbraw/zinc/48/77/42/1021487742.db2.gz LRCPUXIRVKIJMU-AUUYWEPGSA-N 0 3 337.423 3.635 20 30 EHEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000602607593 1033024293 /nfs/dbraw/zinc/02/42/93/1033024293.db2.gz ZCXKFWXCNFBYCR-CQSZACIVSA-N 0 3 347.249 3.629 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(O[C@H]3CC3(F)F)cc2)n1 ZINC000528906034 1033049061 /nfs/dbraw/zinc/04/90/61/1033049061.db2.gz CSDTZBROSFSXON-STQMWFEESA-N 0 3 334.347 3.728 20 30 EHEDHN CC[C@@H](O)[C@@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438110724 1022396976 /nfs/dbraw/zinc/39/69/76/1022396976.db2.gz RFVCSGDMBCKQJT-DLBZAZTESA-N 0 3 341.373 3.562 20 30 EHEDHN C=CCN(CCC(=O)NCC1CCCCC1)Cc1cccc(C#N)c1 ZINC000517529909 1022429535 /nfs/dbraw/zinc/42/95/35/1022429535.db2.gz HESALRJAGFIECT-UHFFFAOYSA-N 0 3 339.483 3.633 20 30 EHEDHN C[C@]1(Br)C[C@H]1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000891721647 1022460399 /nfs/dbraw/zinc/46/03/99/1022460399.db2.gz BUYDEMSUZYLULI-YOEHRIQHSA-N 0 3 349.272 3.575 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2(O)CCCCC2)C1 ZINC000328807819 1022493221 /nfs/dbraw/zinc/49/32/21/1022493221.db2.gz CWRQQBPDIJMBPQ-SJLPKXTDSA-N 0 3 330.472 3.864 20 30 EHEDHN CC1(C)C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C(C)(C)O1 ZINC000528919513 1033080090 /nfs/dbraw/zinc/08/00/90/1033080090.db2.gz KUAKLPSRAXBDQF-ZIAGYGMSSA-N 0 3 348.830 3.581 20 30 EHEDHN CSC[C@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438611579 1022846181 /nfs/dbraw/zinc/84/61/81/1022846181.db2.gz YXJOSKUWIXWHBB-CQSZACIVSA-N 0 3 329.387 3.764 20 30 EHEDHN C=C(CC)CNCc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000894775901 1022873272 /nfs/dbraw/zinc/87/32/72/1022873272.db2.gz QLOLWTSFUFKUTN-UHFFFAOYSA-N 0 3 348.487 3.894 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000506309091 1022899364 /nfs/dbraw/zinc/89/93/64/1022899364.db2.gz JFHGSRBEICHTAH-JXFKEZNVSA-N 0 3 348.450 3.710 20 30 EHEDHN C=CCOc1ccc(CNC[C@@H]2COc3ccccc3O2)cc1Cl ZINC000518272083 1023181540 /nfs/dbraw/zinc/18/15/40/1023181540.db2.gz ONRZRBIWRZILHJ-OAHLLOKOSA-N 0 3 345.826 3.834 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1C=CCCC1 ZINC000427115706 1023228116 /nfs/dbraw/zinc/22/81/16/1023228116.db2.gz CMZPVJWXDJDFKS-MRXNPFEDSA-N 0 3 332.517 3.693 20 30 EHEDHN CCc1ccc([C@@H](NCC(=O)NC2(C#N)CCCCC2)C(C)C)cc1 ZINC000510968055 1023540664 /nfs/dbraw/zinc/54/06/64/1023540664.db2.gz OCPLPYWSKNABPM-FQEVSTJZSA-N 0 3 341.499 3.878 20 30 EHEDHN N#CCC1(CN2CCC(Oc3cccc(Br)c3)CC2)CC1 ZINC000602805461 1033177685 /nfs/dbraw/zinc/17/76/85/1033177685.db2.gz AAAUVGMDNHEZKY-UHFFFAOYSA-N 0 3 349.272 3.986 20 30 EHEDHN N#Cc1ccc(OCCNCc2sccc2Br)cc1 ZINC000185039159 1024204186 /nfs/dbraw/zinc/20/41/86/1024204186.db2.gz BBWUFLWQRLYZFW-UHFFFAOYSA-N 0 3 337.242 3.551 20 30 EHEDHN CCCn1ncc(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1C1CC1 ZINC000329879649 1024232605 /nfs/dbraw/zinc/23/26/05/1024232605.db2.gz MNYAKHDJQPZIPJ-MRXNPFEDSA-N 0 3 332.492 3.596 20 30 EHEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000538315730 1024295771 /nfs/dbraw/zinc/29/57/71/1024295771.db2.gz NKLJDGWHPOBCHY-GOSISDBHSA-N 0 3 331.822 3.743 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000520693509 1024437861 /nfs/dbraw/zinc/43/78/61/1024437861.db2.gz AJFZKKNXHJBOND-ZDUSSCGKSA-N 0 3 338.904 3.587 20 30 EHEDHN CC(C)Cc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cn1 ZINC000895395037 1024465636 /nfs/dbraw/zinc/46/56/36/1024465636.db2.gz FZBHLAKZLQXISU-UHFFFAOYSA-N 0 3 349.478 3.947 20 30 EHEDHN Cc1ccnc(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1C#N ZINC000346190181 1024472612 /nfs/dbraw/zinc/47/26/12/1024472612.db2.gz KUYIPBOVKCXBNQ-INIZCTEOSA-N 0 3 348.372 3.995 20 30 EHEDHN CCCN(CCN1CCCCCC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000346254282 1024575093 /nfs/dbraw/zinc/57/50/93/1024575093.db2.gz UNHUNGBKQJAXPH-UHFFFAOYSA-N 0 3 349.425 3.565 20 30 EHEDHN COc1ccc(C2CC2)cc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000895536566 1024595738 /nfs/dbraw/zinc/59/57/38/1024595738.db2.gz LDKKIAOVZCGWCR-HNNXBMFYSA-N 0 3 328.456 3.761 20 30 EHEDHN COc1ccc(C2CC2)cc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000895536567 1024596270 /nfs/dbraw/zinc/59/62/70/1024596270.db2.gz LDKKIAOVZCGWCR-OAHLLOKOSA-N 0 3 328.456 3.761 20 30 EHEDHN CSc1ccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000281159417 1024716625 /nfs/dbraw/zinc/71/66/25/1024716625.db2.gz KLHGHQDGAHWFOV-LSDHHAIUSA-N 0 3 345.512 3.790 20 30 EHEDHN C=CCn1cc(CN[C@@H]2CC=C(c3ccc(Cl)cc3)CC2)nn1 ZINC000425360524 1024846599 /nfs/dbraw/zinc/84/65/99/1024846599.db2.gz XOAXKMVELHZMOK-QGZVFWFLSA-N 0 3 328.847 3.843 20 30 EHEDHN COCCOCc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425365844 1024869823 /nfs/dbraw/zinc/86/98/23/1024869823.db2.gz NHVXVCYSKQVKTG-QGZVFWFLSA-N 0 3 338.451 3.914 20 30 EHEDHN CC(C)(C)c1ccc(C(C)(C)NCc2cnc3c(C#N)cnn3c2)cc1 ZINC000574519580 1033266867 /nfs/dbraw/zinc/26/68/67/1033266867.db2.gz UHGVXLCOQXFYHN-UHFFFAOYSA-N 0 3 347.466 3.923 20 30 EHEDHN CNc1ccc(C#N)cc1NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000329125288 1025614770 /nfs/dbraw/zinc/61/47/70/1025614770.db2.gz XZDBPUCSAXHYRW-GOSISDBHSA-N 0 3 326.444 3.985 20 30 EHEDHN COc1ccccc1[C@H](CNCc1cc(C#N)cs1)OC(C)C ZINC000185721914 1025691153 /nfs/dbraw/zinc/69/11/53/1025691153.db2.gz ADJCRSMBQHYUAV-SFHVURJKSA-N 0 3 330.453 3.884 20 30 EHEDHN Clc1ccc(C#CCN2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000425551149 1025730485 /nfs/dbraw/zinc/73/04/85/1025730485.db2.gz JHUAZQJDYKYCBI-IBGZPJMESA-N 0 3 329.871 3.973 20 30 EHEDHN C=CCOc1cccc(CN(C)CCc2nc(-c3ccccc3)no2)c1 ZINC000522035427 1025898424 /nfs/dbraw/zinc/89/84/24/1025898424.db2.gz TVHQLJHWBUWBIO-UHFFFAOYSA-N 0 3 349.434 3.976 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000444264822 1025989956 /nfs/dbraw/zinc/98/99/56/1025989956.db2.gz ZXRDILDWHBUOAR-UHFFFAOYSA-N 0 3 333.435 3.599 20 30 EHEDHN CC[C@@H]1C[C@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC(=O)N1 ZINC000329621991 1026095427 /nfs/dbraw/zinc/09/54/27/1026095427.db2.gz UNRNJNNPBBMHNS-RCCFBDPRSA-N 0 3 343.471 3.753 20 30 EHEDHN CN(C)[C@@H](CNc1nc2c(cc1C#N)CCC2)c1ccc(Cl)cc1 ZINC000530617968 1026144177 /nfs/dbraw/zinc/14/41/77/1026144177.db2.gz ZHUQZZNHLBYVSR-SFHVURJKSA-N 0 3 340.858 3.810 20 30 EHEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000934514133 1026563116 /nfs/dbraw/zinc/56/31/16/1026563116.db2.gz ZPSZFNZYZJKDAJ-GFCCVEGCSA-N 0 3 325.239 3.810 20 30 EHEDHN C=CCCn1cc(CN[C@H]2CC[C@H](c3cccc(Cl)c3)C2)nn1 ZINC000657486734 1026722806 /nfs/dbraw/zinc/72/28/06/1026722806.db2.gz ISBOJPAWHKZUKJ-RDJZCZTQSA-N 0 3 330.863 3.934 20 30 EHEDHN C[C@H](NCCc1cccc(C#N)c1)c1ncc(Br)cc1F ZINC000467454480 1026746885 /nfs/dbraw/zinc/74/68/85/1026746885.db2.gz PQDYDJGLMACDJJ-NSHDSACASA-N 0 3 348.219 3.748 20 30 EHEDHN CN(Cc1cccc(OCc2ccccc2C#N)c1)C[C@H]1CCCO1 ZINC000128104118 1026985428 /nfs/dbraw/zinc/98/54/28/1026985428.db2.gz GIHBCZMBCLTRRI-OAQYLSRUSA-N 0 3 336.435 3.748 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](c2ccccc2)C1 ZINC000123402590 1027290436 /nfs/dbraw/zinc/29/04/36/1027290436.db2.gz ROHCJZFAHXWLFP-QUCCMNQESA-N 0 3 347.462 3.811 20 30 EHEDHN N#CC1(CN2CCN(CCC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000501536087 1027350323 /nfs/dbraw/zinc/35/03/23/1027350323.db2.gz YIGOTOMWLLVJNA-UHFFFAOYSA-N 0 3 327.516 3.514 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCCC[C@H]1c1ccccc1 ZINC000531841851 1027509016 /nfs/dbraw/zinc/50/90/16/1027509016.db2.gz PZQQVVGHKRETLC-HKUYNNGSSA-N 0 3 327.472 3.612 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3nc(C)sc3c2)CC1 ZINC000106316791 1027696227 /nfs/dbraw/zinc/69/62/27/1027696227.db2.gz LIDFGSPOSWJTEL-UHFFFAOYSA-N 0 3 344.484 3.767 20 30 EHEDHN Cc1cccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)c1C ZINC000115602933 1027984302 /nfs/dbraw/zinc/98/43/02/1027984302.db2.gz WGWZCHABFUEZJC-DLBZAZTESA-N 0 3 327.472 3.685 20 30 EHEDHN CC1(C)C[C@H](NCC#Cc2ccc(OC(F)(F)F)cc2)C(C)(C)O1 ZINC000444633282 1028104674 /nfs/dbraw/zinc/10/46/74/1028104674.db2.gz BVIPGGMBPYTKJJ-HNNXBMFYSA-N 0 3 341.373 3.872 20 30 EHEDHN C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC000444676055 1028145444 /nfs/dbraw/zinc/14/54/44/1028145444.db2.gz PIPXEZQLIGPGOL-KRWDZBQOSA-N 0 3 330.435 3.960 20 30 EHEDHN C[C@H](NC(=O)Nc1scc(C(C)(C)C)c1C#N)C1=CCN(C)CC1 ZINC000888222188 1028260144 /nfs/dbraw/zinc/26/01/44/1028260144.db2.gz GQYFVNVFUNVTHB-LBPRGKRZSA-N 0 3 346.500 3.689 20 30 EHEDHN N#Cc1ccc(CNC[C@H](c2ccco2)N2CCCCC2)cc1F ZINC000421337781 1028306034 /nfs/dbraw/zinc/30/60/34/1028306034.db2.gz ZYYKDVDYSWGFIR-GOSISDBHSA-N 0 3 327.403 3.607 20 30 EHEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1cccc2ccccc21 ZINC000064791983 1028473382 /nfs/dbraw/zinc/47/33/82/1028473382.db2.gz PRDIPXDGLXWOAG-HXUWFJFHSA-N 0 3 335.451 3.739 20 30 EHEDHN CC(C)CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424099800 1028784381 /nfs/dbraw/zinc/78/43/81/1028784381.db2.gz WAXGEDFRGVRGDP-IAGOWNOFSA-N 0 3 335.879 3.955 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000424083924 1028789390 /nfs/dbraw/zinc/78/93/90/1028789390.db2.gz DGTDOYZIMPGHKJ-GJZGRUSLSA-N 0 3 340.254 3.678 20 30 EHEDHN Cc1csc(Sc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)n1 ZINC000424095400 1028796861 /nfs/dbraw/zinc/79/68/61/1028796861.db2.gz NMASZGGXSONXLW-CQSZACIVSA-N 0 3 346.481 3.562 20 30 EHEDHN CCC(CC)(CNC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424114521 1028809969 /nfs/dbraw/zinc/80/99/69/1028809969.db2.gz RHSOAMYYKKTKAW-INIZCTEOSA-N 0 3 335.879 3.535 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000424128172 1028825598 /nfs/dbraw/zinc/82/55/98/1028825598.db2.gz QWDBWUBTCCFKQP-IAGOWNOFSA-N 0 3 333.863 3.805 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000424128119 1028826557 /nfs/dbraw/zinc/82/65/57/1028826557.db2.gz QWDBWUBTCCFKQP-DLBZAZTESA-N 0 3 333.863 3.805 20 30 EHEDHN C=CCn1cc(CN[C@H](CC)Cc2ccc(Cl)cc2Cl)nn1 ZINC000424290313 1028930139 /nfs/dbraw/zinc/93/01/39/1028930139.db2.gz BKEAJHMSLDNJDZ-CQSZACIVSA-N 0 3 339.270 3.882 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@H](CC)c1ccncc1 ZINC000245686229 1029004424 /nfs/dbraw/zinc/00/44/24/1029004424.db2.gz AIRYELFWNIOBQK-WOJBJXKFSA-N 0 3 340.467 3.633 20 30 EHEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000454535949 1029041888 /nfs/dbraw/zinc/04/18/88/1029041888.db2.gz FYMULWMHCFGGRC-AZUAARDMSA-N 0 3 341.499 3.520 20 30 EHEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000424633791 1029197621 /nfs/dbraw/zinc/19/76/21/1029197621.db2.gz ZYUAUNSNJOKHOZ-UHFFFAOYSA-N 0 3 332.513 3.819 20 30 EHEDHN C=CC1CCN(CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)CC1 ZINC000533287315 1029577791 /nfs/dbraw/zinc/57/77/91/1029577791.db2.gz XLVPWLYSKXFCDH-FQEVSTJZSA-N 0 3 342.483 3.647 20 30 EHEDHN Cc1cccc([C@@H]2CCCN2CC(=O)NCc2cccc(C#N)c2)c1C ZINC000525124742 1029695838 /nfs/dbraw/zinc/69/58/38/1029695838.db2.gz HSLVGADGTJQHTR-NRFANRHFSA-N 0 3 347.462 3.628 20 30 EHEDHN Cc1cccc([C@H]2CCCN2CC(=O)NCc2cccc(C#N)c2)c1C ZINC000525124743 1029696063 /nfs/dbraw/zinc/69/60/63/1029696063.db2.gz HSLVGADGTJQHTR-OAQYLSRUSA-N 0 3 347.462 3.628 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](C(C)C)C2)c1 ZINC000446731272 1029765449 /nfs/dbraw/zinc/76/54/49/1029765449.db2.gz GGCRLHJJDLMVGZ-GOSISDBHSA-N 0 3 327.472 3.528 20 30 EHEDHN C=CC1CCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000525272122 1029766197 /nfs/dbraw/zinc/76/61/97/1029766197.db2.gz JQGZEUQVCGWJRJ-UHFFFAOYSA-N 0 3 332.463 3.851 20 30 EHEDHN CC[C@H](C)N[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccco1 ZINC000343256452 1029944909 /nfs/dbraw/zinc/94/49/09/1029944909.db2.gz WKTYEWZZZAZCQX-SWLSCSKDSA-N 0 3 328.372 3.601 20 30 EHEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1ccccc1SCC#N ZINC000245450475 1030079298 /nfs/dbraw/zinc/07/92/98/1030079298.db2.gz ORAXPWRGJQUMGH-BFYDXBDKSA-N 0 3 343.496 3.894 20 30 EHEDHN C=C(C)CCc1noc(-c2ccc(CN3CCSCC3)cc2)n1 ZINC000508598043 1030199445 /nfs/dbraw/zinc/19/94/45/1030199445.db2.gz YWLJBCYASOPVSS-UHFFFAOYSA-N 0 3 329.469 3.794 20 30 EHEDHN C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1)c1cccc(C#N)c1 ZINC000453377061 1030199775 /nfs/dbraw/zinc/19/97/75/1030199775.db2.gz PPBKCFWIZKMWGC-PIKADFDJSA-N 0 3 338.455 3.603 20 30 EHEDHN CC[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000278339066 1030246852 /nfs/dbraw/zinc/24/68/52/1030246852.db2.gz XFFAEJKSROYQLX-YADHBBJMSA-N 0 3 349.478 3.672 20 30 EHEDHN COc1cc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cc(OC)c1 ZINC000160149440 1030563378 /nfs/dbraw/zinc/56/33/78/1030563378.db2.gz DTCFBHCENWTYCH-CQSZACIVSA-N 0 3 345.424 3.530 20 30 EHEDHN CCSCC[C@H](C)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447884933 1030563499 /nfs/dbraw/zinc/56/34/99/1030563499.db2.gz BGGGUWBTUJEKQP-MAUKXSAKSA-N 0 3 345.512 3.517 20 30 EHEDHN CO[C@@H]1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000091772807 1030683412 /nfs/dbraw/zinc/68/34/12/1030683412.db2.gz WITMXPRGUVXRFI-OAQYLSRUSA-N 0 3 336.435 3.748 20 30 EHEDHN CC[C@@H](C)CN(CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000482872928 1030770652 /nfs/dbraw/zinc/77/06/52/1030770652.db2.gz ZQXLNQRIFBAKQO-MRXNPFEDSA-N 0 3 329.488 3.918 20 30 EHEDHN C[C@H]1[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCCN1C ZINC000343426631 1030830605 /nfs/dbraw/zinc/83/06/05/1030830605.db2.gz DIIOWOWYWMVIJJ-MGPUTAFESA-N 0 3 349.434 3.563 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000476771700 1030929136 /nfs/dbraw/zinc/92/91/36/1030929136.db2.gz ZLNVDENZLOTQPV-VQIMIIECSA-N 0 3 348.450 3.824 20 30 EHEDHN C=CCc1cc(CNCc2cccc(OC)c2C)cc(OC)c1O ZINC000657804075 1031063693 /nfs/dbraw/zinc/06/36/93/1031063693.db2.gz DFBIPKGDDYPHHR-UHFFFAOYSA-N 0 3 327.424 3.736 20 30 EHEDHN COc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1F ZINC000527811261 1031247579 /nfs/dbraw/zinc/24/75/79/1031247579.db2.gz LMAUSKXKLTVLJQ-UHFFFAOYSA-N 0 3 340.398 3.501 20 30 EHEDHN C[C@@H](NC[C@@]1(C)COc2ccccc2O1)c1ccc(C#N)cc1F ZINC000527927015 1031422415 /nfs/dbraw/zinc/42/24/15/1031422415.db2.gz BVGGZPVCFCVCPG-YJYMSZOUSA-N 0 3 326.371 3.578 20 30 EHEDHN COc1cccc([C@H](CN[C@H](C)c2ccc(C#N)cc2F)OC)c1 ZINC000527932664 1031496304 /nfs/dbraw/zinc/49/63/04/1031496304.db2.gz XPZOEZMXOKQRKS-YJYMSZOUSA-N 0 3 328.387 3.744 20 30 EHEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CCCC12CCCCC2 ZINC000533933501 1031658163 /nfs/dbraw/zinc/65/81/63/1031658163.db2.gz UKDATEJICJKTGF-UHFFFAOYSA-N 0 3 331.847 3.949 20 30 EHEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@H](C2CC2)C1 ZINC000329685018 1031787398 /nfs/dbraw/zinc/78/73/98/1031787398.db2.gz ZTDQCVUDISGYAM-HIFRSBDPSA-N 0 3 330.428 3.556 20 30 EHEDHN N#Cc1ccc(Oc2cccc(C(=O)NCCN3CCCCC3)c2)cc1 ZINC000484693935 1031888007 /nfs/dbraw/zinc/88/80/07/1031888007.db2.gz FNIBYZREKKGZNZ-UHFFFAOYSA-N 0 3 349.434 3.566 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000181343528 1031977033 /nfs/dbraw/zinc/97/70/33/1031977033.db2.gz DYTJGHVQCGNSRN-QUCCMNQESA-N 0 3 327.472 3.562 20 30 EHEDHN C=CCN(C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C1CC1 ZINC000537856035 1031982311 /nfs/dbraw/zinc/98/23/11/1031982311.db2.gz ANFCCQCHPXSCMQ-QGZVFWFLSA-N 0 3 347.528 3.881 20 30 EHEDHN C=CCN(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C1CC1 ZINC000537856026 1031982501 /nfs/dbraw/zinc/98/25/01/1031982501.db2.gz ANFCCQCHPXSCMQ-KRWDZBQOSA-N 0 3 347.528 3.881 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000598599565 1033324842 /nfs/dbraw/zinc/32/48/42/1033324842.db2.gz KDHMVHSXGYZTFM-SFHVURJKSA-N 0 3 344.405 3.945 20 30 EHEDHN COc1ccc([C@H](NC[C@@H](O)CC(C)(C)C#N)c2ccccc2)cc1 ZINC000598625534 1033357025 /nfs/dbraw/zinc/35/70/25/1033357025.db2.gz RIAGFWRFLMEJAV-AZUAARDMSA-N 0 3 338.451 3.675 20 30 EHEDHN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594435737 1033371765 /nfs/dbraw/zinc/37/17/65/1033371765.db2.gz JNQBPZFVMODJCV-XHDPSFHLSA-N 0 3 342.270 3.924 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000594446867 1033378376 /nfs/dbraw/zinc/37/83/76/1033378376.db2.gz YNAUJEIGPHLFIP-IBGZPJMESA-N 0 3 345.462 3.551 20 30 EHEDHN Cc1cccc(-c2ccc(CNC(=O)[C@@H](N)CCCCC#N)cc2)c1 ZINC000594446142 1033379114 /nfs/dbraw/zinc/37/91/14/1033379114.db2.gz QRLKCMUTDKKHKH-FQEVSTJZSA-N 0 3 335.451 3.690 20 30 EHEDHN CC(C)(C#N)c1ccc(CNCc2cccc(N3CCCC3=O)c2)cc1 ZINC000594495295 1033397623 /nfs/dbraw/zinc/39/76/23/1033397623.db2.gz PTVCFKKIXJFZSM-UHFFFAOYSA-N 0 3 347.462 3.904 20 30 EHEDHN COC(=O)c1ccc2c(c1)[C@H](NCc1ccc(C#N)c(F)c1)CCC2 ZINC000594516816 1033421996 /nfs/dbraw/zinc/42/19/96/1033421996.db2.gz FOGSSTZFTVHWQL-LJQANCHMSA-N 0 3 338.382 3.651 20 30 EHEDHN C=C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455951478 1033528037 /nfs/dbraw/zinc/52/80/37/1033528037.db2.gz ZSRWTSPYJWWFLC-GFCCVEGCSA-N 0 3 337.851 3.509 20 30 EHEDHN N#CC1(c2ccc(CNCc3ccnc(N4CCCC4)c3)cc2)CC1 ZINC000594915947 1033541523 /nfs/dbraw/zinc/54/15/23/1033541523.db2.gz YFNQQJGZMBRSES-UHFFFAOYSA-N 0 3 332.451 3.527 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000106340928 1033570455 /nfs/dbraw/zinc/57/04/55/1033570455.db2.gz DSSDBYKLUJJKDI-UHFFFAOYSA-N 0 3 329.488 3.647 20 30 EHEDHN N#Cc1cccc(OCCCN2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000612174418 1033571170 /nfs/dbraw/zinc/57/11/70/1033571170.db2.gz KNXNNZOVWLQTLD-HXUWFJFHSA-N 0 3 340.398 3.620 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000594937445 1033585735 /nfs/dbraw/zinc/58/57/35/1033585735.db2.gz ISJKODBODNVNIK-FPOVZHCZSA-N 0 3 334.419 3.503 20 30 EHEDHN CCOc1cccc(CNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000594982331 1033619981 /nfs/dbraw/zinc/61/99/81/1033619981.db2.gz DPWASNPYMPBTPZ-UHFFFAOYSA-N 0 3 336.435 3.752 20 30 EHEDHN N#Cc1csc(CNCc2cccc(COC[C@@H]3CCCO3)c2)c1 ZINC000594998072 1033625404 /nfs/dbraw/zinc/62/54/04/1033625404.db2.gz GDVOROXJUICIJB-SFHVURJKSA-N 0 3 342.464 3.605 20 30 EHEDHN C=CC[C@H]1CCCC[C@H]1NCc1csc(CC(=O)OC(C)C)n1 ZINC000595605049 1033917961 /nfs/dbraw/zinc/91/79/61/1033917961.db2.gz UJZJGYJQIAHKEN-GOEBONIOSA-N 0 3 336.501 3.862 20 30 EHEDHN C#CCCOc1ccc(CNCc2cc(OC)nc3ccccc23)cc1 ZINC000174582357 1033984816 /nfs/dbraw/zinc/98/48/16/1033984816.db2.gz BNGIFCGKXVLQLF-UHFFFAOYSA-N 0 3 346.430 3.935 20 30 EHEDHN C=CCOc1ccccc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000599631714 1034057153 /nfs/dbraw/zinc/05/71/53/1034057153.db2.gz ZBPJAQAYLXANPB-QGZVFWFLSA-N 0 3 338.451 3.502 20 30 EHEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1OC ZINC000647372181 1034059906 /nfs/dbraw/zinc/05/99/06/1034059906.db2.gz GUYAQIXMUCKXOF-CYBMUJFWSA-N 0 3 342.420 3.918 20 30 EHEDHN C[C@@H](c1ccccc1)N1CCC(Nc2nc(C#N)c(Cl)s2)CC1 ZINC000596131736 1034087265 /nfs/dbraw/zinc/08/72/65/1034087265.db2.gz CHBGUYOXTHEFTF-LBPRGKRZSA-N 0 3 346.887 3.728 20 30 EHEDHN COCCN(CCCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000450318903 1034126259 /nfs/dbraw/zinc/12/62/59/1034126259.db2.gz XJXQPPRRZVYOLN-UHFFFAOYSA-N 0 3 336.435 3.670 20 30 EHEDHN C=CCCc1csc(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000534144843 1034162563 /nfs/dbraw/zinc/16/25/63/1034162563.db2.gz LLTIKCBFOBIDQQ-UHFFFAOYSA-N 0 3 327.497 3.760 20 30 EHEDHN C=C[C@H](CO)N[C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000658334013 1034204000 /nfs/dbraw/zinc/20/40/00/1034204000.db2.gz AJSIFSOANZBWFH-PSASIEDQSA-N 0 3 338.167 3.665 20 30 EHEDHN CC1CCN([C@@H](CNC(=O)c2cccc(C#N)c2)c2ccccc2)CC1 ZINC000604200754 1034263610 /nfs/dbraw/zinc/26/36/10/1034263610.db2.gz XFTOSOMNEOEWRH-NRFANRHFSA-N 0 3 347.462 3.761 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000192421706 1034376446 /nfs/dbraw/zinc/37/64/46/1034376446.db2.gz VPRZKWWMIMCMHH-UHFFFAOYSA-N 0 3 346.233 3.904 20 30 EHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000534336837 1034432813 /nfs/dbraw/zinc/43/28/13/1034432813.db2.gz JJCBJOUVKDZYFX-UHFFFAOYSA-N 0 3 349.413 3.689 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000077566996 1034715740 /nfs/dbraw/zinc/71/57/40/1034715740.db2.gz OPSABOXWNIALQF-ZWKOTPCHSA-N 0 3 347.890 3.536 20 30 EHEDHN N#CC(C(=O)c1cnc(-c2ccccc2)nc1)c1nc2ccccc2[nH]1 ZINC000159661495 1034793733 /nfs/dbraw/zinc/79/37/33/1034793733.db2.gz SDXHUGYWWXEFSQ-OAHLLOKOSA-N 0 3 339.358 3.510 20 30 EHEDHN CC1(C)CO[C@@H](CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000892493912 1034898130 /nfs/dbraw/zinc/89/81/30/1034898130.db2.gz VIULFQVKGFJJIU-GJZGRUSLSA-N 0 3 348.830 3.583 20 30 EHEDHN C#CCN1CCC(C(=O)NC2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000152350935 1036419973 /nfs/dbraw/zinc/41/99/73/1036419973.db2.gz SEEQZBGEDFCAQL-UHFFFAOYSA-N 0 3 344.886 3.571 20 30 EHEDHN COC[C@H]1CCCCN(Cc2ccc(C#N)cc2Br)C1 ZINC000376383984 1036424751 /nfs/dbraw/zinc/42/47/51/1036424751.db2.gz HMSAVJCPSCBLHI-AWEZNQCLSA-N 0 3 337.261 3.569 20 30 EHEDHN C=CCC1(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000191906309 1036443427 /nfs/dbraw/zinc/44/34/27/1036443427.db2.gz ICRIHXDWCVBHQF-SFHVURJKSA-N 0 3 326.484 3.856 20 30 EHEDHN CC(C)(N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccs1 ZINC000541643757 1036537738 /nfs/dbraw/zinc/53/77/38/1036537738.db2.gz DYADQIGNWSYBFK-INIZCTEOSA-N 0 3 339.464 3.640 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](CSc2ccccc2)C1 ZINC000464763200 1036747450 /nfs/dbraw/zinc/74/74/50/1036747450.db2.gz OFCNCTCAOHYWBQ-QGZVFWFLSA-N 0 3 332.513 3.525 20 30 EHEDHN CSc1ccc([C@@H](CNC(=O)CCCCCC#N)N(C)C)cc1 ZINC000590532396 1036947690 /nfs/dbraw/zinc/94/76/90/1036947690.db2.gz RIQRIUKEAPEZDD-QGZVFWFLSA-N 0 3 333.501 3.601 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](C3CCC3)C2)c1C ZINC000591061761 1037221996 /nfs/dbraw/zinc/22/19/96/1037221996.db2.gz HHJPOBZVDKPYSX-IBGZPJMESA-N 0 3 339.483 3.672 20 30 EHEDHN C=CCN(CC=C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000057854809 1037224594 /nfs/dbraw/zinc/22/45/94/1037224594.db2.gz DHDOZGUPMDVQOS-HXUWFJFHSA-N 0 3 341.499 3.843 20 30 EHEDHN C=C(C)COc1cc(CNCc2cccc(OC)c2)ccc1OC ZINC000057959567 1037314323 /nfs/dbraw/zinc/31/43/23/1037314323.db2.gz WYGCOGSVRRGHDX-UHFFFAOYSA-N 0 3 327.424 3.949 20 30 EHEDHN C[C@@H](C1CC1)n1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000187622660 1037433691 /nfs/dbraw/zinc/43/36/91/1037433691.db2.gz AZLKKFFDFTYHPQ-INIZCTEOSA-N 0 3 349.482 3.802 20 30 EHEDHN C#CCn1ccc(CN(CC)CC2CCC(C(F)(F)F)CC2)n1 ZINC000491677630 1037615441 /nfs/dbraw/zinc/61/54/41/1037615441.db2.gz QZUYJBNTKZOSCS-UHFFFAOYSA-N 0 3 327.394 3.707 20 30 EHEDHN N#Cc1c(F)cccc1N1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463079523 1037747259 /nfs/dbraw/zinc/74/72/59/1037747259.db2.gz DKVTWICHJAWVHN-ROUUACIJSA-N 0 3 335.426 3.623 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CCO)c2cccc(OC(F)(F)F)c2)C1 ZINC000592394033 1037934982 /nfs/dbraw/zinc/93/49/82/1037934982.db2.gz MTTRJGOVARWYTM-XNRPHZJLSA-N 0 3 342.361 3.681 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC(C)C)cc2C)CC1 ZINC000592526084 1038026581 /nfs/dbraw/zinc/02/65/81/1038026581.db2.gz CFGUSFBQWSFBOQ-UHFFFAOYSA-N 0 3 331.460 3.554 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3nc(C)cc3C)cc2)n1 ZINC000041520528 1038114779 /nfs/dbraw/zinc/11/47/79/1038114779.db2.gz QFOPFKGWQBNGOQ-MRXNPFEDSA-N 0 3 336.420 3.744 20 30 EHEDHN COc1cccc(COCCN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508957 1038349216 /nfs/dbraw/zinc/34/92/16/1038349216.db2.gz PHLZJMHISMZDIQ-CQSZACIVSA-N 0 3 328.387 3.573 20 30 EHEDHN C#CC[C@H](NCCCS(=O)(=O)c1cccc(C)c1)c1ccccc1 ZINC000274357914 1038351192 /nfs/dbraw/zinc/35/11/92/1038351192.db2.gz YTADIIOHJOOWOF-FQEVSTJZSA-N 0 3 341.476 3.513 20 30 EHEDHN C=CCC[C@H](NCCNc1nccc(C(F)(F)F)n1)c1ccco1 ZINC000552046889 1038911413 /nfs/dbraw/zinc/91/14/13/1038911413.db2.gz VMRNVOGVTKWATB-LBPRGKRZSA-N 0 3 340.349 3.797 20 30 EHEDHN CCCN(CCN1CCCCC1)C(=O)Nc1cc(C#N)ccc1C ZINC000554177426 1039001583 /nfs/dbraw/zinc/00/15/83/1039001583.db2.gz VMIJDRUTPLLMOX-UHFFFAOYSA-N 0 3 328.460 3.597 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2c(C)cccc2C)CC1 ZINC000545467783 1039005547 /nfs/dbraw/zinc/00/55/47/1039005547.db2.gz BNOAQAZETAGYDO-KRWDZBQOSA-N 0 3 329.488 3.704 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2C)C2CC2)CC1 ZINC000489186363 1039715229 /nfs/dbraw/zinc/71/52/29/1039715229.db2.gz SNMFVYXTBHSXCT-HXUWFJFHSA-N 0 3 341.499 3.786 20 30 EHEDHN C[C@H](CN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000489206312 1039727116 /nfs/dbraw/zinc/72/71/16/1039727116.db2.gz OJYYLKQBGMMMQP-UTKZUKDTSA-N 0 3 347.462 3.789 20 30 EHEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCC(=O)N2 ZINC000417370303 1039741861 /nfs/dbraw/zinc/74/18/61/1039741861.db2.gz SGHGQPQELYJFCE-FZKQIMNGSA-N 0 3 347.418 3.617 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(F)c2SC)CC1 ZINC000667410218 1039774986 /nfs/dbraw/zinc/77/49/86/1039774986.db2.gz WSOJDDZTYHOSLI-UHFFFAOYSA-N 0 3 337.464 3.710 20 30 EHEDHN C[C@@H](c1ccccc1)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCC1 ZINC000554851314 1039836577 /nfs/dbraw/zinc/83/65/77/1039836577.db2.gz GODCCTOUIMQLMF-KKSFZXQISA-N 0 3 339.483 3.801 20 30 EHEDHN C[C@H](NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(C#N)cc1F ZINC000512661363 1040445331 /nfs/dbraw/zinc/44/53/31/1040445331.db2.gz RMPILHIEIHLSSI-DJJJIMSYSA-N 0 3 329.394 3.790 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)NCC1CCCCC1)c1ccccc1 ZINC000433022469 1040479065 /nfs/dbraw/zinc/47/90/65/1040479065.db2.gz VLOSCQRDNIDOQE-LJQANCHMSA-N 0 3 327.472 3.708 20 30 EHEDHN C=CCC(C)(C)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000429859521 1040831389 /nfs/dbraw/zinc/83/13/89/1040831389.db2.gz QFHVHKGQIMGDFX-SFHVURJKSA-N 0 3 332.488 3.797 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)SC)cc1 ZINC000156339434 1041124564 /nfs/dbraw/zinc/12/45/64/1041124564.db2.gz LRFHSIWGTWASHX-CJNGLKHVSA-N 0 3 332.469 3.818 20 30 EHEDHN N#Cc1cccc(C2(NC[C@H](O)c3ccc(Cl)c(F)c3)CC2)c1 ZINC000759867393 1041240816 /nfs/dbraw/zinc/24/08/16/1041240816.db2.gz SFNJYLRGTWOTQL-KRWDZBQOSA-N 0 3 330.790 3.663 20 30 EHEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000156508463 1041278224 /nfs/dbraw/zinc/27/82/24/1041278224.db2.gz UCKACPUOHDYRBI-CABZTGNLSA-N 0 3 345.251 3.782 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](c2cccs2)C(CC)CC)CC1 ZINC000067215101 1041286387 /nfs/dbraw/zinc/28/63/87/1041286387.db2.gz OAZQAISSLMMAHM-GOSISDBHSA-N 0 3 332.513 3.687 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000053749292 1041421286 /nfs/dbraw/zinc/42/12/86/1041421286.db2.gz JCCBGENZSNYFPG-BEFAXECRSA-N 0 3 334.423 3.515 20 30 EHEDHN C=CCN(Cc1ccc(OCc2ccncc2)cc1)[C@H](C)COC ZINC000661243780 1042024947 /nfs/dbraw/zinc/02/49/47/1042024947.db2.gz NEQCRRJOMZVNIP-QGZVFWFLSA-N 0 3 326.440 3.684 20 30 EHEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000343915612 1042820297 /nfs/dbraw/zinc/82/02/97/1042820297.db2.gz XAEUCHNNHWBBKV-ZWKOTPCHSA-N 0 3 327.472 3.834 20 30 EHEDHN CC(C)(C#N)CCCN1CCN(c2nccc3sccc32)CC1 ZINC000343960705 1042954184 /nfs/dbraw/zinc/95/41/84/1042954184.db2.gz IIIIFHXHMNIIIS-UHFFFAOYSA-N 0 3 328.485 3.748 20 30 EHEDHN N#CC(C(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1ccccn1 ZINC000187242278 1043924432 /nfs/dbraw/zinc/92/44/32/1043924432.db2.gz ACSRMAYFAZAMCG-CYBMUJFWSA-N 0 3 328.331 3.708 20 30 EHEDHN CC(C)(C#N)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000279711872 1044453786 /nfs/dbraw/zinc/45/37/86/1044453786.db2.gz AWFWRGSQILRTOS-UHFFFAOYSA-N 0 3 339.483 3.578 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(-n3ccnc3)cc2)c1 ZINC000073012374 1126974980 /nfs/dbraw/zinc/97/49/80/1126974980.db2.gz IPYKXDLIKJRSCW-HXUWFJFHSA-N 0 3 346.434 3.843 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)CCc2ccccc2)CC1 ZINC000623578942 1126990481 /nfs/dbraw/zinc/99/04/81/1126990481.db2.gz FYNBHBMOLIQJPG-LJQANCHMSA-N 0 3 343.515 3.738 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(C(=O)N2CCCC2)cc1 ZINC000921500890 1127045837 /nfs/dbraw/zinc/04/58/37/1127045837.db2.gz FSWNFPBEJPZIIN-UHFFFAOYSA-N 0 3 347.462 3.701 20 30 EHEDHN C=CCC[C@H](NCC(=O)Nc1nnc(C(C)C)s1)c1ccccc1 ZINC000180036442 1127112775 /nfs/dbraw/zinc/11/27/75/1127112775.db2.gz WRDCPFRJOVSZJD-HNNXBMFYSA-N 0 3 344.484 3.897 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)nc21 ZINC000763987687 1127201549 /nfs/dbraw/zinc/20/15/49/1127201549.db2.gz NYJJGYGROMCBHE-SWLSCSKDSA-N 0 3 348.362 3.760 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000181005938 1127263939 /nfs/dbraw/zinc/26/39/39/1127263939.db2.gz VRLAFYOFIKIULU-QRWLVFNGSA-N 0 3 345.462 3.655 20 30 EHEDHN CC[C@H]1CN(C)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000552400392 1127754254 /nfs/dbraw/zinc/75/42/54/1127754254.db2.gz LMEXQYPTXNNPQN-NRFANRHFSA-N 0 3 349.478 3.663 20 30 EHEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cc(C#N)ccc1F)c1ccco1 ZINC000888367826 1127970121 /nfs/dbraw/zinc/97/01/21/1127970121.db2.gz RDWXIINIVUIMTG-MLGOLLRUSA-N 0 3 344.390 3.541 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](c2ccccc2)C(C)C)CC1 ZINC000106259846 1128487936 /nfs/dbraw/zinc/48/79/36/1128487936.db2.gz VXOVYFCVPKGMJL-FQEVSTJZSA-N 0 3 343.515 3.766 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccccc2SC)CC1 ZINC000282282275 1128497570 /nfs/dbraw/zinc/49/75/70/1128497570.db2.gz VTZISZYSJFPMPR-OAHLLOKOSA-N 0 3 347.528 3.809 20 30 EHEDHN CC(C)CN1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301646217 1128600718 /nfs/dbraw/zinc/60/07/18/1128600718.db2.gz PNOOAJUBPLTWRJ-UHFFFAOYSA-N 0 3 328.847 3.538 20 30 EHEDHN CCN(CC)[C@@H](CNc1nc2ccccn2c1C#N)c1ccsc1 ZINC000302111698 1128620255 /nfs/dbraw/zinc/62/02/55/1128620255.db2.gz UQXIJRGZNXTVMJ-INIZCTEOSA-N 0 3 339.468 3.762 20 30 EHEDHN N#Cc1ccc(OCCN(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000302741735 1128645848 /nfs/dbraw/zinc/64/58/48/1128645848.db2.gz REJLUNPFKNIOEA-SFHVURJKSA-N 0 3 342.464 3.680 20 30 EHEDHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(CC#N)CC1 ZINC000542852922 1128692375 /nfs/dbraw/zinc/69/23/75/1128692375.db2.gz BSWOHPYNSJAOGW-UHFFFAOYSA-N 0 3 326.419 3.754 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000303829363 1128699634 /nfs/dbraw/zinc/69/96/34/1128699634.db2.gz LHCQAINDSLPEJF-GOSISDBHSA-N 0 3 340.398 3.922 20 30 EHEDHN C=CC(C)(C)CCCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001687384028 1120244029 /nfs/dbraw/zinc/24/40/29/1120244029.db2.gz JMAVSVLTASUVEJ-LJQANCHMSA-N 0 3 343.515 3.861 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000494446812 1120560679 /nfs/dbraw/zinc/56/06/79/1120560679.db2.gz PCNAQXSGDAFCAT-ZWNOBZJWSA-N 0 3 327.306 3.786 20 30 EHEDHN C=CCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000195717682 1120810821 /nfs/dbraw/zinc/81/08/21/1120810821.db2.gz PEWIGTBHHSGPON-IBGZPJMESA-N 0 3 338.451 3.593 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C3CCC3)cc2)CC1 ZINC000494808076 1120848506 /nfs/dbraw/zinc/84/85/06/1120848506.db2.gz KNCDEIPAESNJBQ-UHFFFAOYSA-N 0 3 341.499 3.794 20 30 EHEDHN C=CC[C@@H](C(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC000494905464 1120901501 /nfs/dbraw/zinc/90/15/01/1120901501.db2.gz UNRICEXVQLZLQW-LEWJYISDSA-N 0 3 336.479 3.635 20 30 EHEDHN CC(C)C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000542557079 1121182020 /nfs/dbraw/zinc/18/20/20/1121182020.db2.gz YBTPVNAAPJQOCH-INIZCTEOSA-N 0 3 327.453 3.935 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC12CCN(Cc1ccc(C#N)cc1)CC2 ZINC000496043863 1121626539 /nfs/dbraw/zinc/62/65/39/1121626539.db2.gz PNSWCEUTXPSKCJ-UHFFFAOYSA-N 0 3 341.455 3.534 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SC1CC2(CCC2)C1 ZINC000916410564 1122147320 /nfs/dbraw/zinc/14/73/20/1122147320.db2.gz VMBJUDQYQRVOJY-UHFFFAOYSA-N 0 3 346.544 3.917 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCc2cccs2)cc1 ZINC000916908982 1122392732 /nfs/dbraw/zinc/39/27/32/1122392732.db2.gz GXUUHJOHFNFVID-QGZVFWFLSA-N 0 3 340.448 3.981 20 30 EHEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000916948685 1122409786 /nfs/dbraw/zinc/40/97/86/1122409786.db2.gz JIZLJMIOGKQZBY-YOEHRIQHSA-N 0 3 330.428 3.664 20 30 EHEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000917100599 1122500037 /nfs/dbraw/zinc/50/00/37/1122500037.db2.gz SHHPFVQKIKCGBH-KFWWJZLASA-N 0 3 341.480 3.983 20 30 EHEDHN N#Cc1ccccc1CSCCNCc1cnn(-c2ccccc2)c1 ZINC000170670832 1122516122 /nfs/dbraw/zinc/51/61/22/1122516122.db2.gz DRQANHWOEPYQII-UHFFFAOYSA-N 0 3 348.475 3.767 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(C)cc1C ZINC000497605632 1122607174 /nfs/dbraw/zinc/60/71/74/1122607174.db2.gz NAKMNPCHWSEORO-HXUWFJFHSA-N 0 3 325.452 3.731 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(OC)c2OC)c([O-])c1 ZINC000917559297 1122631974 /nfs/dbraw/zinc/63/19/74/1122631974.db2.gz KFYRHPKIZBKZDV-FYJGNVAPSA-N 0 3 342.439 3.875 20 30 EHEDHN CC(C)(C)c1ccc(N2CCC(NC[C@@H](C#N)CCC#N)CC2)cc1 ZINC000920092343 1123285356 /nfs/dbraw/zinc/28/53/56/1123285356.db2.gz RWQIGSASHXFTPQ-QGZVFWFLSA-N 0 3 338.499 3.986 20 30 EHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCC2(CCCCC2)C1 ZINC000609541350 1123607421 /nfs/dbraw/zinc/60/74/21/1123607421.db2.gz ITOSQGDHAXFIKB-QGZVFWFLSA-N 0 3 331.504 3.764 20 30 EHEDHN COCCCN(CCc1ccc(OC)cc1)Cc1ccccc1C#N ZINC000609672531 1123639433 /nfs/dbraw/zinc/63/94/33/1123639433.db2.gz LDFZFKVABJZDSD-UHFFFAOYSA-N 0 3 338.451 3.648 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000609822823 1123670349 /nfs/dbraw/zinc/67/03/49/1123670349.db2.gz GBXDCGZKSWEPOR-MRXNPFEDSA-N 0 3 339.483 3.780 20 30 EHEDHN CC1=CCC[C@@H](C)[C@H]1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000615504127 1123813087 /nfs/dbraw/zinc/81/30/87/1123813087.db2.gz ILXPZDDBKLEJBZ-WBVHZDCISA-N 0 3 340.471 3.538 20 30 EHEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1nc2ccccc2[nH]1 ZINC000734964057 1131296915 /nfs/dbraw/zinc/29/69/15/1131296915.db2.gz SAFSHKOEDSUPDZ-IJLUTSLNSA-N 0 3 337.329 3.821 20 30 EHEDHN COC[C@H](NCCCOc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000181431984 1124823431 /nfs/dbraw/zinc/82/34/31/1124823431.db2.gz BMGQUWDCPGSKSO-IBGZPJMESA-N 0 3 346.377 3.583 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc(-c2ccncc2)s1 ZINC000618741700 1125178676 /nfs/dbraw/zinc/17/86/76/1125178676.db2.gz HVXZBVFYAFQHIH-SFHVURJKSA-N 0 3 332.432 3.854 20 30 EHEDHN C[S@@](=O)c1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000619508586 1125354456 /nfs/dbraw/zinc/35/44/56/1125354456.db2.gz NMNMUIRCOPTTDX-HYBUGGRVSA-N 0 3 338.476 3.853 20 30 EHEDHN C[C@H](NCc1ccc(Cl)cc1-n1cncn1)c1cccc(C#N)c1 ZINC000619511067 1125355039 /nfs/dbraw/zinc/35/50/39/1125355039.db2.gz BHJBZDADWAVNFI-ZDUSSCGKSA-N 0 3 337.814 3.643 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265858701 1129509927 /nfs/dbraw/zinc/50/99/27/1129509927.db2.gz RQCGXBVBCVNMQE-RKVPGOIHSA-N 0 3 343.471 3.854 20 30 EHEDHN C[C@H](NCC1CCC(C#N)CC1)c1ncc(Br)s1 ZINC000282516845 1129987419 /nfs/dbraw/zinc/98/74/19/1129987419.db2.gz ZKKGNYMACNZTKV-WHXUTIOJSA-N 0 3 328.279 3.886 20 30 EHEDHN C=CCN1CCC(NC(=O)NC2CCC(c3ccccc3)CC2)CC1 ZINC000171710120 1130081776 /nfs/dbraw/zinc/08/17/76/1130081776.db2.gz BDGJJADCQUWMBG-UHFFFAOYSA-N 0 3 341.499 3.662 20 30 EHEDHN C=CCN1CCC(NC(=S)Nc2c(CC)cccc2CC)CC1 ZINC000729941843 1130657918 /nfs/dbraw/zinc/65/79/18/1130657918.db2.gz DWIKTLIRXNATTJ-UHFFFAOYSA-N 0 3 331.529 3.748 20 30 EHEDHN C=CCN1CCC(NC(=S)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000729943205 1130657946 /nfs/dbraw/zinc/65/79/46/1130657946.db2.gz RCJQWPDLSFLPIL-UHFFFAOYSA-N 0 3 344.311 3.930 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CNc2ccnc3ccccc32)ccc1OC ZINC000733302418 1131019237 /nfs/dbraw/zinc/01/92/37/1131019237.db2.gz TYJFCBNUPAXNMH-INIZCTEOSA-N 0 3 347.418 3.958 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000739142718 1131493289 /nfs/dbraw/zinc/49/32/89/1131493289.db2.gz DUERSKCBWMNWQU-MAUKXSAKSA-N 0 3 328.456 3.758 20 30 EHEDHN CCCC[C@@H]1C[C@H](NCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001172628249 1131794425 /nfs/dbraw/zinc/79/44/25/1131794425.db2.gz UIXDGOOUEZHFEI-HZPDHXFCSA-N 0 3 335.492 3.838 20 30 EHEDHN CCS[C@@H]1CC[C@H](N(C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743397901 1131911195 /nfs/dbraw/zinc/91/11/95/1131911195.db2.gz DODLLRNMCMASJM-ZWKOTPCHSA-N 0 3 340.496 3.985 20 30 EHEDHN C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1ccc(F)cc1 ZINC001172968350 1131920702 /nfs/dbraw/zinc/92/07/02/1131920702.db2.gz QHXPBSLTRHVIHZ-JQFCIGGWSA-N 0 3 347.434 3.768 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCN2Cc3ccccc3C2)c([O-])c1 ZINC000743538898 1131942891 /nfs/dbraw/zinc/94/28/91/1131942891.db2.gz RRCAKVKPNLENRL-HMAPJEAMSA-N 0 3 337.467 3.673 20 30 EHEDHN CCCCN(CCC#N)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173418233 1132067974 /nfs/dbraw/zinc/06/79/74/1132067974.db2.gz JNMMPSFAPYGHSK-UHFFFAOYSA-N 0 3 347.890 3.960 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001175312488 1132635167 /nfs/dbraw/zinc/63/51/67/1132635167.db2.gz TXHYZXKAJHNFEQ-SKBHOOIQSA-N 0 3 345.446 3.621 20 30 EHEDHN COC(=O)c1cc(C#N)cc(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175506557 1132694167 /nfs/dbraw/zinc/69/41/67/1132694167.db2.gz GGRZUPHFVYJRMC-UHFFFAOYSA-N 0 3 347.418 3.547 20 30 EHEDHN C#CCCCN(CC#C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766900382 1132906906 /nfs/dbraw/zinc/90/69/06/1132906906.db2.gz CDJRHHYBURXYCM-MRXNPFEDSA-N 0 3 332.241 3.621 20 30 EHEDHN N#Cc1ccc(OCCCN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000767720938 1133042862 /nfs/dbraw/zinc/04/28/62/1133042862.db2.gz AUKSJGKOHDHLAB-UHFFFAOYSA-N 0 3 343.430 3.988 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(Cl)cc(Cl)n1 ZINC001177905108 1133110742 /nfs/dbraw/zinc/11/07/42/1133110742.db2.gz WBIZWGYEBYVYMM-QMMMGPOBSA-N 0 3 326.208 3.771 20 30 EHEDHN C#CCOc1cccc(Cl)c1CNC[C@](C)(O)C1CCCCC1 ZINC001178482439 1133172768 /nfs/dbraw/zinc/17/27/68/1133172768.db2.gz BYLWSLNSXAJSOT-IBGZPJMESA-N 0 3 335.875 3.773 20 30 EHEDHN C#CCCCCCCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001180386449 1133363774 /nfs/dbraw/zinc/36/37/74/1133363774.db2.gz PYNACPJVDRNJBU-UHFFFAOYSA-N 0 3 330.447 3.557 20 30 EHEDHN CCCCCCC[C@H](C)C(=O)N(CCOC)C1CCN(C)CC1 ZINC001181123432 1133455786 /nfs/dbraw/zinc/45/57/86/1133455786.db2.gz TUMLFTFXOVQNIC-KRWDZBQOSA-N 0 3 326.525 3.552 20 30 EHEDHN C#C[C@H](N[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(Br)cc1 ZINC001182031159 1133564244 /nfs/dbraw/zinc/56/42/44/1133564244.db2.gz GLXDKDNEWGGQNZ-YESZJQIVSA-N 0 3 336.273 3.917 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc2[nH]c3ccccc3c2c1 ZINC001182068601 1133571753 /nfs/dbraw/zinc/57/17/53/1133571753.db2.gz MTRBSQKVZCZLLU-KRWDZBQOSA-N 0 3 347.462 3.630 20 30 EHEDHN CCCCCCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786572228 1133875626 /nfs/dbraw/zinc/87/56/26/1133875626.db2.gz WFIRSOYZKNODTQ-AWEZNQCLSA-N 0 3 336.382 3.650 20 30 EHEDHN C#CC[C@H](N[C@H](C)c1ccc(N2CCNC2=O)cc1)c1ccccc1 ZINC000786870661 1133914880 /nfs/dbraw/zinc/91/48/80/1133914880.db2.gz KSXQSDXEBUYDOQ-UZLBHIALSA-N 0 3 333.435 3.631 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccncc1)c1ccccc1 ZINC000787032695 1133940852 /nfs/dbraw/zinc/94/08/52/1133940852.db2.gz RRBNONQERSHKRR-LZQZEXGQSA-N 0 3 349.434 3.552 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccncc1)c1ccccc1 ZINC000787032696 1133941057 /nfs/dbraw/zinc/94/10/57/1133941057.db2.gz RRBNONQERSHKRR-MNEFBYGVSA-N 0 3 349.434 3.552 20 30 EHEDHN CCCC[C@H](CC)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074851 1133945994 /nfs/dbraw/zinc/94/59/94/1133945994.db2.gz SDGFSYPBPCVMRG-WMZOPIPTSA-N 0 3 328.456 3.960 20 30 EHEDHN C[C@@H]1CCCC[C@H]1CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074543 1133946214 /nfs/dbraw/zinc/94/62/14/1133946214.db2.gz ZSDKZTMDKGGREB-NJAFHUGGSA-N 0 3 326.440 3.570 20 30 EHEDHN C[C@@H]1CCC[C@H](CC(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787078384 1133946449 /nfs/dbraw/zinc/94/64/49/1133946449.db2.gz NEYXFIZZMBLZGQ-BPQIPLTHSA-N 0 3 326.440 3.570 20 30 EHEDHN N#Cc1nc(NC[C@H]2CCCN2Cc2ccccc2)sc1Cl ZINC001185421501 1134082456 /nfs/dbraw/zinc/08/24/56/1134082456.db2.gz WVUYPKFZIGGWSE-CYBMUJFWSA-N 0 3 332.860 3.745 20 30 EHEDHN C#CCC1(C(=O)NCCCN2CCc3ccccc3C2)CCCCC1 ZINC000788157754 1134089539 /nfs/dbraw/zinc/08/95/39/1134089539.db2.gz RYQKAEPDDYYGOG-UHFFFAOYSA-N 0 3 338.495 3.525 20 30 EHEDHN CC(C)(C)OC(=O)NCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000774912494 1134119462 /nfs/dbraw/zinc/11/94/62/1134119462.db2.gz CHAZMIOFTVSWND-UHFFFAOYSA-N 0 3 341.455 3.562 20 30 EHEDHN C[C@H](NCC1CCC(C#N)CC1)c1nc(Br)ccc1F ZINC000788814327 1134183770 /nfs/dbraw/zinc/18/37/70/1134183770.db2.gz LDKLAEARBCGGNJ-UNXYVOJBSA-N 0 3 340.240 3.964 20 30 EHEDHN CC[C@@H](C)N[C@H](CNc1cc(C)c([N+](=O)[O-])cc1C#N)c1ccco1 ZINC001186404907 1134208645 /nfs/dbraw/zinc/20/86/45/1134208645.db2.gz JAGLCJAFSDQECL-CZUORRHYSA-N 0 3 342.399 3.909 20 30 EHEDHN C#CCC1(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CCCCC1 ZINC000791717306 1134594698 /nfs/dbraw/zinc/59/46/98/1134594698.db2.gz YGTUVNWXWJVJGM-PKOBYXMFSA-N 0 3 326.484 3.768 20 30 EHEDHN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCC#Cc1ccccc1 ZINC000792247878 1134671289 /nfs/dbraw/zinc/67/12/89/1134671289.db2.gz HMYQQCDEMCXGSU-FQEVSTJZSA-N 0 3 330.472 3.567 20 30 EHEDHN CCCCCCCNC(=O)NC1CCN(Cc2ccc(O)cc2)CC1 ZINC001191123873 1134797829 /nfs/dbraw/zinc/79/78/29/1134797829.db2.gz XITCIXOPAWXZFF-UHFFFAOYSA-N 0 3 347.503 3.626 20 30 EHEDHN CN(C)[C@@H]1CCOc2c(Nc3nc(Cl)c(C#N)s3)cccc21 ZINC000804673488 1135164368 /nfs/dbraw/zinc/16/43/68/1135164368.db2.gz DRPOFXDAINPFSG-LLVKDONJSA-N 0 3 334.832 3.797 20 30 EHEDHN N#Cc1c(F)cccc1CNCCc1ccccc1Br ZINC001205646226 1135185465 /nfs/dbraw/zinc/18/54/65/1135185465.db2.gz ZZYLYFXALZSAPC-UHFFFAOYSA-N 0 3 333.204 3.792 20 30 EHEDHN CCCCCCCCCOC(=O)N(CCOC)C1CCN(C)CC1 ZINC001194913522 1135338713 /nfs/dbraw/zinc/33/87/13/1135338713.db2.gz DUFFGIKQPVKZCC-UHFFFAOYSA-N 0 3 342.524 3.916 20 30 EHEDHN N#Cc1ccc(N2CC[C@@H](N3CC[C@H](C4CCCCC4)C3)C2=O)cc1 ZINC001195894640 1135482098 /nfs/dbraw/zinc/48/20/98/1135482098.db2.gz WHIGXOXHMMOQKG-AZUAARDMSA-N 0 3 337.467 3.566 20 30 EHEDHN CC[C@]1(Cc2ccccc2)CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC001195985913 1135496816 /nfs/dbraw/zinc/49/68/16/1135496816.db2.gz LNGYORXKIANNJC-JOCHJYFZSA-N 0 3 347.462 3.984 20 30 EHEDHN CCc1cc(C(=O)N(C2CCCC2)C2CCN(C)CC2)ccc1C#N ZINC001197292817 1135674964 /nfs/dbraw/zinc/67/49/64/1135674964.db2.gz QMYDQKWDNMXPHF-UHFFFAOYSA-N 0 3 339.483 3.600 20 30 EHEDHN C#C[C@H](NCCSc1ccnc2cc(Cl)ccc21)[C@H]1CCCO1 ZINC000775788243 1135736824 /nfs/dbraw/zinc/73/68/24/1135736824.db2.gz DVQQVRNJPRETPP-DOTOQJQBSA-N 0 3 346.883 3.751 20 30 EHEDHN C=CCCCN(CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC001198457605 1135817512 /nfs/dbraw/zinc/81/75/12/1135817512.db2.gz DNXYAGIEYJXEJI-UHFFFAOYSA-N 0 3 327.472 3.838 20 30 EHEDHN C#CCN(Cc1ccc(COCCOC)cc1)[C@H]1CCc2ccccc21 ZINC000809539239 1135848810 /nfs/dbraw/zinc/84/88/10/1135848810.db2.gz NSIZTIVYIQZXEG-QHCPKHFHSA-N 0 3 349.474 3.972 20 30 EHEDHN C#C[C@@H](CC)NCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000809685928 1135872210 /nfs/dbraw/zinc/87/22/10/1135872210.db2.gz ABNZNUVZSFXWMR-JTQLQIEISA-N 0 3 348.187 3.561 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN2CCC[C@@](C)(C#N)C2)CC1 ZINC000809974838 1135907330 /nfs/dbraw/zinc/90/73/30/1135907330.db2.gz MQRLJPGBSVHAGH-ZWOKBUDYSA-N 0 3 349.519 3.943 20 30 EHEDHN CN(C)c1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000810126090 1135923930 /nfs/dbraw/zinc/92/39/30/1135923930.db2.gz RQGQIFXKSVCHDT-UHFFFAOYSA-N 0 3 333.357 3.933 20 30 EHEDHN CCC(=O)Nc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776154437 1136005920 /nfs/dbraw/zinc/00/59/20/1136005920.db2.gz STFVGMJLUIUUBT-OAHLLOKOSA-N 0 3 337.423 3.788 20 30 EHEDHN N#Cc1ccc([O-])c(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001201477022 1136032602 /nfs/dbraw/zinc/03/26/02/1136032602.db2.gz AOIBJRWUUWDRJW-MOPGFXCFSA-N 0 3 331.419 3.997 20 30 EHEDHN N#Cc1ccc([O-])c(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001201477022 1136032606 /nfs/dbraw/zinc/03/26/06/1136032606.db2.gz AOIBJRWUUWDRJW-MOPGFXCFSA-N 0 3 331.419 3.997 20 30 EHEDHN C#Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC001202474433 1136169252 /nfs/dbraw/zinc/16/92/52/1136169252.db2.gz BACGGECQDLXJTJ-UHFFFAOYSA-N 0 3 340.430 3.735 20 30 EHEDHN C=CCc1cc(CNCc2cc(COC)cs2)cc(OC)c1OC ZINC000850119365 1136212386 /nfs/dbraw/zinc/21/23/86/1136212386.db2.gz OBOCTOVVGUVCNO-UHFFFAOYSA-N 0 3 347.480 3.930 20 30 EHEDHN C=CCC1(NCc2cnn(Cc3ccccc3)c2Cl)CCOCC1 ZINC000850368098 1136242482 /nfs/dbraw/zinc/24/24/82/1136242482.db2.gz IOZHLHJPVWCWQS-UHFFFAOYSA-N 0 3 345.874 3.800 20 30 EHEDHN C#CCCOc1ccc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1 ZINC000850394809 1136248285 /nfs/dbraw/zinc/24/82/85/1136248285.db2.gz DYKIXTOCVMRVEB-YADHBBJMSA-N 0 3 337.463 3.937 20 30 EHEDHN C#C[C@H](NC1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000812793318 1136251311 /nfs/dbraw/zinc/25/13/11/1136251311.db2.gz TYIQCIXKKIOCRY-VJFUWPCTSA-N 0 3 331.431 3.990 20 30 EHEDHN N#CC(C(=O)c1ccnc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000813214261 1136303604 /nfs/dbraw/zinc/30/36/04/1136303604.db2.gz QDQHWEYVHWKQNM-JTQLQIEISA-N 0 3 325.677 3.639 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CC3(C2)CCCCC3)c1 ZINC000850977184 1136324792 /nfs/dbraw/zinc/32/47/92/1136324792.db2.gz NXQZVAITEMUZEI-GOSISDBHSA-N 0 3 338.451 3.681 20 30 EHEDHN CO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCCCC1 ZINC000851039058 1136330955 /nfs/dbraw/zinc/33/09/55/1136330955.db2.gz PZYLJINMNSHIRC-BBRMVZONSA-N 0 3 340.345 3.872 20 30 EHEDHN C[C@@H](CC(C)(C)C#N)OC(=O)C1CCN(c2ccc(Cl)cc2)C1=O ZINC000851210753 1136352501 /nfs/dbraw/zinc/35/25/01/1136352501.db2.gz UUYOOQKNABEHIU-WFASDCNBSA-N 0 3 348.830 3.564 20 30 EHEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000852098265 1136433284 /nfs/dbraw/zinc/43/32/84/1136433284.db2.gz IQDWVHKFUWUEGW-WOJBJXKFSA-N 0 3 340.492 3.654 20 30 EHEDHN C[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)c1ccnn1C ZINC000817713800 1136834580 /nfs/dbraw/zinc/83/45/80/1136834580.db2.gz WAGJEZNIMICTJW-ONGXEEELSA-N 0 3 344.827 3.663 20 30 EHEDHN C=C1CC(C)(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)C1 ZINC001136037924 1136842403 /nfs/dbraw/zinc/84/24/03/1136842403.db2.gz VONICTCYUYEFED-GOSISDBHSA-N 0 3 330.472 3.551 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046590 1136935232 /nfs/dbraw/zinc/93/52/32/1136935232.db2.gz CENPHJCLESRKKJ-HXUWFJFHSA-N 0 3 333.435 3.792 20 30 EHEDHN N#CCc1ccc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858048095 1136935640 /nfs/dbraw/zinc/93/56/40/1136935640.db2.gz OVZNSGPNRRCMNF-FQEVSTJZSA-N 0 3 333.435 3.678 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000858199111 1136949171 /nfs/dbraw/zinc/94/91/71/1136949171.db2.gz AUIMVJVPLKCZII-GOSISDBHSA-N 0 3 347.890 3.667 20 30 EHEDHN C#CC[C@H](COC)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000858335022 1136959293 /nfs/dbraw/zinc/95/92/93/1136959293.db2.gz LDBWGJJWHDDSRQ-CYBMUJFWSA-N 0 3 339.279 3.852 20 30 EHEDHN CC[C@@H](Cc1ccccc1C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000819945934 1136968907 /nfs/dbraw/zinc/96/89/07/1136968907.db2.gz XJKIXHRMRJINHH-LPHOPBHVSA-N 0 3 340.467 3.722 20 30 EHEDHN Cc1ccccc1[C@@H](C)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000116592343 1137005799 /nfs/dbraw/zinc/00/57/99/1137005799.db2.gz ZDAUDSPIZSHKRI-YJBOKZPZSA-N 0 3 326.440 3.646 20 30 EHEDHN Cc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1C#N ZINC000859195620 1137007092 /nfs/dbraw/zinc/00/70/92/1137007092.db2.gz SGXGYVLGPKRDCC-QAPCUYQASA-N 0 3 343.471 3.602 20 30 EHEDHN N#CCCOCCN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000339018449 1137011403 /nfs/dbraw/zinc/01/14/03/1137011403.db2.gz YFXPZFLBLUHZFK-AWEZNQCLSA-N 0 3 343.254 3.767 20 30 EHEDHN COC(=O)c1ccc(C(=N)Nc2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC001170984281 1137055121 /nfs/dbraw/zinc/05/51/21/1137055121.db2.gz SOKRMMYTZOATEQ-UHFFFAOYSA-N 0 3 338.407 3.614 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000823619075 1137106668 /nfs/dbraw/zinc/10/66/68/1137106668.db2.gz WYZXNDIJXHVOSD-QGZVFWFLSA-N 0 3 347.462 3.987 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCCC)c(C)c2)CC1 ZINC000861628610 1137115548 /nfs/dbraw/zinc/11/55/48/1137115548.db2.gz XWRAEEJGSILOCP-UHFFFAOYSA-N 0 3 331.460 3.556 20 30 EHEDHN Cc1cccn2c(CN3CCC(Cc4ccc(C#N)cc4)CC3)cnc12 ZINC001136964531 1137157929 /nfs/dbraw/zinc/15/79/29/1137157929.db2.gz YHCGNSKLTDTJJJ-UHFFFAOYSA-N 0 3 344.462 3.969 20 30 EHEDHN COc1ccc(C(C)=NOCCSC)cc1CN1CCCCC1 ZINC000794575182 1137209110 /nfs/dbraw/zinc/20/91/10/1137209110.db2.gz YRAOLKYBIDFKOL-UHFFFAOYSA-N 0 3 336.501 3.785 20 30 EHEDHN N#Cc1cncc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1 ZINC001144080177 1137237266 /nfs/dbraw/zinc/23/72/66/1137237266.db2.gz XNHQVGFMWQXLCV-FCHUYYIVSA-N 0 3 347.462 3.565 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCc2ccccc2C1 ZINC000845436710 1137291910 /nfs/dbraw/zinc/29/19/10/1137291910.db2.gz JDGLJWXPYBFQHW-IRXDYDNUSA-N 0 3 329.403 3.555 20 30 EHEDHN CC[C@H](NCc1ccc(C#N)cc1)c1cc(OC)c(OC)c(OC)c1 ZINC000846141554 1137338362 /nfs/dbraw/zinc/33/83/62/1137338362.db2.gz PWUHEMCLNSWFNW-KRWDZBQOSA-N 0 3 340.423 3.825 20 30 EHEDHN C[C@H](NC1CCN(c2ccccc2C#N)CC1)c1cccnc1Cl ZINC000866448794 1137355543 /nfs/dbraw/zinc/35/55/43/1137355543.db2.gz MFCVVZFICGFPOY-AWEZNQCLSA-N 0 3 340.858 3.926 20 30 EHEDHN [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000846757396 1137363472 /nfs/dbraw/zinc/36/34/72/1137363472.db2.gz YNBKYVGTJTWJBG-GECXBNKPSA-N 0 3 337.261 3.591 20 30 EHEDHN [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000846757396 1137363474 /nfs/dbraw/zinc/36/34/74/1137363474.db2.gz YNBKYVGTJTWJBG-GECXBNKPSA-N 0 3 337.261 3.591 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2coc(-c3ccccc3)n2)c1 ZINC000121685561 1137382039 /nfs/dbraw/zinc/38/20/39/1137382039.db2.gz YTAZVUHVQCZAIK-MRXNPFEDSA-N 0 3 345.358 3.611 20 30 EHEDHN N#CC(C(=O)CCC(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000796628942 1137389526 /nfs/dbraw/zinc/38/95/26/1137389526.db2.gz FSRHKJOURDDFFZ-JTQLQIEISA-N 0 3 335.137 3.686 20 30 EHEDHN C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC001148630097 1137430110 /nfs/dbraw/zinc/43/01/10/1137430110.db2.gz XRASLYADIXDJJP-UWJYYQICSA-N 0 3 347.462 3.708 20 30 EHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000282716566 1137441357 /nfs/dbraw/zinc/44/13/57/1137441357.db2.gz LSTFIWRLTKQODX-XUJVJEKNSA-N 0 3 335.245 3.945 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CC(CC#N)C2)C[C@H]1C(C)(C)C ZINC001171599652 1137500190 /nfs/dbraw/zinc/50/01/90/1137500190.db2.gz CWDUUCZXMDCYOB-CVEARBPZSA-N 0 3 335.492 3.646 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CC(CC#N)C2)CC12CCCCC2 ZINC001172051699 1137529455 /nfs/dbraw/zinc/52/94/55/1137529455.db2.gz ILTIISTXYDHQJW-QGZVFWFLSA-N 0 3 347.503 3.934 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(Cc2ccccc2)C[C@H]1C ZINC001172307612 1137545562 /nfs/dbraw/zinc/54/55/62/1137545562.db2.gz OXZHSYNCNKKETL-RTBURBONSA-N 0 3 333.479 3.696 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(C2(c3ccccc3)CC2)CC1 ZINC001172310970 1137546017 /nfs/dbraw/zinc/54/60/17/1137546017.db2.gz MQNRMUHCGWXQIV-IBGZPJMESA-N 0 3 345.490 3.796 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H]1CCOc2cc(F)cc(F)c21 ZINC001172298654 1137549037 /nfs/dbraw/zinc/54/90/37/1137549037.db2.gz ZWIBLBXCMMIKQA-PXAZEXFGSA-N 0 3 328.362 3.881 20 30 EHEDHN C=CCOC[C@H]1CCC[C@@]12CN([C@@H](C)CCO[C@H](C)CC)CCO2 ZINC001172341701 1137552342 /nfs/dbraw/zinc/55/23/42/1137552342.db2.gz XEPKEROKYZIGEX-MTQWCTHYSA-N 0 3 339.520 3.654 20 30 EHEDHN N#CCCCOc1cccc(CNCc2ccc3oc(=O)[nH]c3c2)c1 ZINC000873172759 1137592221 /nfs/dbraw/zinc/59/22/21/1137592221.db2.gz HKKFYNZTPRNTAL-UHFFFAOYSA-N 0 3 337.379 3.506 20 30 EHEDHN N#Cc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c(F)cc1F ZINC000876347630 1137649488 /nfs/dbraw/zinc/64/94/88/1137649488.db2.gz GYKGOHGLEMIHLI-UWVGGRQHSA-N 0 3 348.271 3.523 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000876641922 1137657882 /nfs/dbraw/zinc/65/78/82/1137657882.db2.gz QATICWMPNVQRJA-QPUJVOFHSA-N 0 3 335.662 3.683 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000876984962 1137666872 /nfs/dbraw/zinc/66/68/72/1137666872.db2.gz QXBLERIMGZVEOZ-CYBMUJFWSA-N 0 3 346.780 3.671 20 30 EHEDHN C=C(Cl)CN[C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877149326 1137671567 /nfs/dbraw/zinc/67/15/67/1137671567.db2.gz LUKMWAZPXPFKHV-CABCVRRESA-N 0 3 343.696 3.927 20 30 EHEDHN C=C(Cl)CN[C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877149329 1137671680 /nfs/dbraw/zinc/67/16/80/1137671680.db2.gz LUKMWAZPXPFKHV-LSDHHAIUSA-N 0 3 343.696 3.927 20 30 EHEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000877336435 1137674557 /nfs/dbraw/zinc/67/45/57/1137674557.db2.gz MOXSUHHYQUVQMK-IRXDYDNUSA-N 0 3 345.805 3.756 20 30 EHEDHN CC(=O)[C@@](C#N)(CCN(C)[C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000878105313 1137702528 /nfs/dbraw/zinc/70/25/28/1137702528.db2.gz AISAIXKTFTXNOH-PKTZIBPZSA-N 0 3 346.474 3.916 20 30 EHEDHN N#Cc1cnccc1CN1CCC[C@@H](c2cc(-c3ccccc3)[nH]n2)C1 ZINC000880274921 1137772541 /nfs/dbraw/zinc/77/25/41/1137772541.db2.gz ACPCBRWENDOHQO-GOSISDBHSA-N 0 3 343.434 3.723 20 30 EHEDHN C=CCC[C@H](NCC(=O)Nc1ccc(C)cc1Cl)[C@@H]1CCCO1 ZINC000883237821 1137849930 /nfs/dbraw/zinc/84/99/30/1137849930.db2.gz KZDKWNNRSVVENC-IRXDYDNUSA-N 0 3 336.863 3.690 20 30 EHEDHN CCCCC[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1 ZINC000884115077 1137910337 /nfs/dbraw/zinc/91/03/37/1137910337.db2.gz ITITVIGQOBLORY-LSNYBQGISA-N 0 3 339.483 3.564 20 30 EHEDHN CCSc1ccc(Cl)cc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884126759 1137913105 /nfs/dbraw/zinc/91/31/05/1137913105.db2.gz JWWONSIBWDRJNW-VMBJYNEYSA-N 0 3 349.887 3.530 20 30 EHEDHN C=CCc1cc(CN[C@H](c2cnn(C)c2)C(C)C)cc(OC)c1OC ZINC000886544861 1138094013 /nfs/dbraw/zinc/09/40/13/1138094013.db2.gz BSRZEFLDQOUSOL-IBGZPJMESA-N 0 3 343.471 3.653 20 30 EHEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000090107378 1138209305 /nfs/dbraw/zinc/20/93/05/1138209305.db2.gz MCOBSSXPQBMZOL-CQSZACIVSA-N 0 3 326.444 3.548 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(F)c(COC)c2)cc1 ZINC000151194818 1139016270 /nfs/dbraw/zinc/01/62/70/1139016270.db2.gz WSEWFEOSNRTVOP-OAHLLOKOSA-N 0 3 327.399 3.835 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C#N ZINC000174255210 1139409792 /nfs/dbraw/zinc/40/97/92/1139409792.db2.gz NCPAIIRAZHTMHE-AWEZNQCLSA-N 0 3 349.434 3.766 20 30 EHEDHN CC(=O)[C@H](C)SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000175196043 1139471038 /nfs/dbraw/zinc/47/10/38/1139471038.db2.gz JGFAVEZMEBBYKL-JSGCOSHPSA-N 0 3 344.461 3.697 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000175417140 1139488780 /nfs/dbraw/zinc/48/87/80/1139488780.db2.gz ZSQACRWUMWWANL-YLJYHZDGSA-N 0 3 341.499 3.615 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](CC)Cc2ccccc2)CC1 ZINC000176498605 1139560476 /nfs/dbraw/zinc/56/04/76/1139560476.db2.gz LPENLHMELCLTQE-HXUWFJFHSA-N 0 3 343.515 3.690 20 30 EHEDHN Cc1sc(NC(=O)CN[C@@H](c2ccccc2)C2CC2)c(C#N)c1C ZINC000179691286 1139774782 /nfs/dbraw/zinc/77/47/82/1139774782.db2.gz KDUZRXMOKQMKCK-SFHVURJKSA-N 0 3 339.464 3.916 20 30 EHEDHN O[C@H](CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)CC(F)(F)F ZINC000189834839 1140367673 /nfs/dbraw/zinc/36/76/73/1140367673.db2.gz WZNZQJLZNIDCMP-QWRGUYRKSA-N 0 3 333.247 3.722 20 30 EHEDHN COC(=O)COc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000190034979 1140381174 /nfs/dbraw/zinc/38/11/74/1140381174.db2.gz XSJVOZMMXGEHHQ-CABCVRRESA-N 0 3 338.407 3.522 20 30 EHEDHN CCOc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1OCC ZINC000190688973 1140414408 /nfs/dbraw/zinc/41/44/08/1140414408.db2.gz MZHANXQMEKCHFT-CQSZACIVSA-N 0 3 327.428 3.545 20 30 EHEDHN N#Cc1ccccc1N1CCCN(CCCCC(F)(F)F)CC1 ZINC000269753731 1141141343 /nfs/dbraw/zinc/14/13/43/1141141343.db2.gz BDWZQZXXBWCAON-UHFFFAOYSA-N 0 3 325.378 3.803 20 30 EHEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000270172736 1141187773 /nfs/dbraw/zinc/18/77/73/1141187773.db2.gz VTMGOBKGZIJLEW-UPCLLVRISA-N 0 3 341.476 3.677 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271494161 1141380042 /nfs/dbraw/zinc/38/00/42/1141380042.db2.gz PIJMIVAFOTVETJ-DAOMAXFVSA-N 0 3 342.464 3.738 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cc(C#N)ccc1C)c1ccco1 ZINC000349100106 1141638954 /nfs/dbraw/zinc/63/89/54/1141638954.db2.gz VSQWGACPRYSFRW-YOEHRIQHSA-N 0 3 340.427 3.711 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](C)c1ccccc1 ZINC000735425775 599207669 /nfs/dbraw/zinc/20/76/69/599207669.db2.gz GNSDVRFZDQDJON-MRXNPFEDSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](C)c1ccccc1 ZINC000735425775 599207671 /nfs/dbraw/zinc/20/76/71/599207671.db2.gz GNSDVRFZDQDJON-MRXNPFEDSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](C)c1ccccc1 ZINC000735425775 599207674 /nfs/dbraw/zinc/20/76/74/599207674.db2.gz GNSDVRFZDQDJON-MRXNPFEDSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](C)c1ccccc1 ZINC000735425775 599207676 /nfs/dbraw/zinc/20/76/76/599207676.db2.gz GNSDVRFZDQDJON-MRXNPFEDSA-N 0 3 333.439 3.658 20 30 EHEDHN CCOc1ccc(N(CCC#N)C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000413358901 1014630012 /nfs/dbraw/zinc/63/00/12/1014630012.db2.gz NJWROJQNHBZLSH-BBWFWOEESA-N 0 3 343.471 3.593 20 30 EHEDHN C[C@@H](N[C@H](c1ccccc1)C1CCC1)C(=O)NC1(C#N)CCCCC1 ZINC000533505465 1015776927 /nfs/dbraw/zinc/77/69/27/1015776927.db2.gz KKTSDMOCBUQTSO-VQIMIIECSA-N 0 3 339.483 3.849 20 30 EHEDHN Cc1nc2c(n1[C@H]1CCN(Cc3cc(C#N)ccc3F)C1)CCCC2 ZINC000275346705 1016505627 /nfs/dbraw/zinc/50/56/27/1016505627.db2.gz SMKRSZGJZRVMRL-KRWDZBQOSA-N 0 3 338.430 3.528 20 30 EHEDHN CC[C@@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000278730827 1032156748 /nfs/dbraw/zinc/15/67/48/1032156748.db2.gz MSHUJAVFACEWAK-LJQANCHMSA-N 0 3 335.407 3.756 20 30 EHEDHN N#Cc1ccc(OC2CCN(CCOCC3CCCC3)CC2)c(F)c1 ZINC000459480752 1032174216 /nfs/dbraw/zinc/17/42/16/1032174216.db2.gz KEGCEKFRYMZXMK-UHFFFAOYSA-N 0 3 346.446 3.747 20 30 EHEDHN N#Cc1ccc(NC(=O)CN[C@@H](c2cccs2)C2CC2)cc1Cl ZINC000538262645 1032244141 /nfs/dbraw/zinc/24/41/41/1032244141.db2.gz FXPPFJANUKYPIA-QGZVFWFLSA-N 0 3 345.855 3.953 20 30 EHEDHN C=CC[C@H](CC)[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459542949 1032259310 /nfs/dbraw/zinc/25/93/10/1032259310.db2.gz OWMUINKSNQTBMI-LBPRGKRZSA-N 0 3 328.250 3.998 20 30 EHEDHN CC(C)(CC#N)CNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000459684309 1032414197 /nfs/dbraw/zinc/41/41/97/1032414197.db2.gz BZKIQXLZXJHTPH-MRXNPFEDSA-N 0 3 336.863 3.927 20 30 EHEDHN CN(C)[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccc(F)cc1 ZINC000255072413 1017352288 /nfs/dbraw/zinc/35/22/88/1017352288.db2.gz KMPOGABCMLDBLM-ZIHVZMLCSA-N 0 3 337.398 3.801 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000471433182 1017676620 /nfs/dbraw/zinc/67/66/20/1017676620.db2.gz XZFPXYZHPKBSKI-GOSISDBHSA-N 0 3 336.435 3.596 20 30 EHEDHN CCCN(C)CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541132708 1017725899 /nfs/dbraw/zinc/72/58/99/1017725899.db2.gz VGORITKZWFMFTM-MRXNPFEDSA-N 0 3 335.451 3.744 20 30 EHEDHN C[C@@H]1CC(F)(F)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000528765588 1032763301 /nfs/dbraw/zinc/76/33/01/1032763301.db2.gz DTQSSXJGSRXQTM-NEPJUHHUSA-N 0 3 349.406 3.592 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OC)cc1Br ZINC000449548853 1032767536 /nfs/dbraw/zinc/76/75/36/1032767536.db2.gz RHWCNVLNGVKGBM-LYRGGWFBSA-N 0 3 340.261 3.842 20 30 EHEDHN CC[C@@H](N[C@H](CC)c1ccc(C#N)cc1)C(=O)NCc1cccs1 ZINC000592397900 1032772272 /nfs/dbraw/zinc/77/22/72/1032772272.db2.gz UYCBUVCEJXBVHG-QZTJIDSGSA-N 0 3 341.480 3.755 20 30 EHEDHN Cc1cc(C#N)ccc1CN(CCCO)Cc1cccc(Cl)c1 ZINC000614403568 1018980694 /nfs/dbraw/zinc/98/06/94/1018980694.db2.gz KVXVMRRECPDHHQ-UHFFFAOYSA-N 0 3 328.843 3.905 20 30 EHEDHN N#Cc1ccc(CN(CCCn2c3ccccc3[nH]c2=O)C2CC2)cc1 ZINC000544189598 1019196198 /nfs/dbraw/zinc/19/61/98/1019196198.db2.gz OKLPBPKWGKCJLD-UHFFFAOYSA-N 0 3 346.434 3.668 20 30 EHEDHN CC#Cc1cncc(Nc2sc(N)c3c2CN(CCC)CC3)c1 ZINC001211056362 1019321959 /nfs/dbraw/zinc/32/19/59/1019321959.db2.gz NMXCEGDNQTXGTF-UHFFFAOYSA-N 0 3 326.469 3.608 20 30 EHEDHN C=CCN(Cc1cnc(N2CCOCC2)s1)CC1CCCCC1 ZINC000125619332 1019375734 /nfs/dbraw/zinc/37/57/34/1019375734.db2.gz GBBDTWCBSRVSOF-UHFFFAOYSA-N 0 3 335.517 3.548 20 30 EHEDHN CCc1ccc([C@H](NCC(=O)NCc2ccc(C#N)cc2)C(C)C)cc1 ZINC000513592008 1019856584 /nfs/dbraw/zinc/85/65/84/1019856584.db2.gz LOBRMPHGWQQSCJ-JOCHJYFZSA-N 0 3 349.478 3.724 20 30 EHEDHN C=CCc1cc(CN2CCC[C@@H](OC3CCC3)C2)cc(OC)c1O ZINC000656272363 1019875597 /nfs/dbraw/zinc/87/55/97/1019875597.db2.gz UPMMHYQVQAQQKG-GOSISDBHSA-N 0 3 331.456 3.663 20 30 EHEDHN CC[C@H](NCc1cc(C#N)ccc1Br)[C@@H]1CCCCO1 ZINC000594040126 1032862015 /nfs/dbraw/zinc/86/20/15/1032862015.db2.gz DJKHCTXNNCKEIM-HOTGVXAUSA-N 0 3 337.261 3.758 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000126501758 1020071910 /nfs/dbraw/zinc/07/19/10/1020071910.db2.gz ZNMSKGUVUQGEPK-QZTJIDSGSA-N 0 3 343.515 3.751 20 30 EHEDHN C[C@@H](CCC#N)CN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000602487035 1032915671 /nfs/dbraw/zinc/91/56/71/1032915671.db2.gz SGOSZWWMOLKMGO-RDJZCZTQSA-N 0 3 339.439 3.567 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nc(Br)cs1 ZINC000834789972 1020714074 /nfs/dbraw/zinc/71/40/74/1020714074.db2.gz JZPLZMVXXFGRBE-UMNHJUIQSA-N 0 3 331.279 3.537 20 30 EHEDHN C=C(C)COCCNCc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000134500774 1020989353 /nfs/dbraw/zinc/98/93/53/1020989353.db2.gz KRIUSSGCLNELQY-UHFFFAOYSA-N 0 3 347.890 3.884 20 30 EHEDHN Cc1ccccc1[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075680128 1021177532 /nfs/dbraw/zinc/17/75/32/1021177532.db2.gz GZUHCPKPLMMODF-GOSISDBHSA-N 0 3 344.418 3.906 20 30 EHEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000664874792 1021394429 /nfs/dbraw/zinc/39/44/29/1021394429.db2.gz QDMIGQNOYAIPLD-BBWFWOEESA-N 0 3 333.476 3.707 20 30 EHEDHN CC(C)(C)c1cc2cccnc2c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000602549936 1032984046 /nfs/dbraw/zinc/98/40/46/1032984046.db2.gz FVZKBNNIVZWEOM-MRXNPFEDSA-N 0 3 338.455 3.882 20 30 EHEDHN N#CC1(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000593654809 1032999499 /nfs/dbraw/zinc/99/94/99/1032999499.db2.gz PVABKBKRZXMODH-DOTOQJQBSA-N 0 3 327.428 3.980 20 30 EHEDHN C[C@@H](NC[C@H]1CSc2ccccc2O1)c1ccc(C#N)cc1F ZINC000519154225 1021888083 /nfs/dbraw/zinc/88/80/83/1021888083.db2.gz AXQBLGNWARMWMA-OCCSQVGLSA-N 0 3 328.412 3.901 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000341451433 1021934441 /nfs/dbraw/zinc/93/44/41/1021934441.db2.gz HKAURWAVWHJACO-CRAIPNDOSA-N 0 3 347.478 3.901 20 30 EHEDHN C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1cccc(C#N)c1 ZINC000178177569 1021942746 /nfs/dbraw/zinc/94/27/46/1021942746.db2.gz LQZAKNUAOPEZTI-GJZGRUSLSA-N 0 3 335.407 3.927 20 30 EHEDHN Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000328888829 1022527703 /nfs/dbraw/zinc/52/77/03/1022527703.db2.gz PXEJEGGTDYSDDN-IRWQIABSSA-N 0 3 340.471 3.542 20 30 EHEDHN CCN1CCCC[C@H]1CNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000330672258 1022652214 /nfs/dbraw/zinc/65/22/14/1022652214.db2.gz GCLCBMFSCPFTOS-HNNXBMFYSA-N 0 3 334.508 3.941 20 30 EHEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1C(=O)c1ccccc1 ZINC000639001435 1022812163 /nfs/dbraw/zinc/81/21/63/1022812163.db2.gz LLJMSRYKIYCEOF-IBGZPJMESA-N 0 3 349.434 3.576 20 30 EHEDHN Cc1ccccc1C(C)(C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000550262435 1022916210 /nfs/dbraw/zinc/91/62/10/1022916210.db2.gz GQHCPOYEDUEYRO-HXUWFJFHSA-N 0 3 347.462 3.887 20 30 EHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000426765966 1023018653 /nfs/dbraw/zinc/01/86/53/1023018653.db2.gz VCHDMSTZUHIEBS-BPLDGKMQSA-N 0 3 331.847 3.661 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCN1c1cc(C#N)c2ccccc2n1 ZINC000383092928 1023024491 /nfs/dbraw/zinc/02/44/91/1023024491.db2.gz VRASYNRNDBHVOE-QGZVFWFLSA-N 0 3 342.446 3.817 20 30 EHEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075745746 1033095789 /nfs/dbraw/zinc/09/57/89/1033095789.db2.gz JFSHUNRVMURESA-DNVCBOLYSA-N 0 3 344.418 3.986 20 30 EHEDHN CC1(F)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000602740192 1033106665 /nfs/dbraw/zinc/10/66/65/1033106665.db2.gz AKWSQJZNEFYRAY-UHFFFAOYSA-N 0 3 326.419 3.788 20 30 EHEDHN CC[C@H](Cc1ccccc1Br)NC[C@H](C#N)CCC#N ZINC000562996100 1023150253 /nfs/dbraw/zinc/15/02/53/1023150253.db2.gz HIVOPIBBUNOAPY-DZGCQCFKSA-N 0 3 334.261 3.803 20 30 EHEDHN N#CCCN(C(=O)CN[C@H](c1cccs1)C1CC1)c1ccccc1 ZINC000341842603 1023437536 /nfs/dbraw/zinc/43/75/36/1023437536.db2.gz KOKATVZGRKJNHM-IBGZPJMESA-N 0 3 339.464 3.736 20 30 EHEDHN COc1ccc(CN2CCC[C@@H]2c2cccc(N(C)C)c2)cc1C#N ZINC000610994368 1023999765 /nfs/dbraw/zinc/99/97/65/1023999765.db2.gz YKHJEWKIJWGKJD-HXUWFJFHSA-N 0 3 335.451 3.970 20 30 EHEDHN COC(=O)c1cc(CNC(C)(C)c2cccc(C#N)c2)[nH]c1C(C)C ZINC000895234851 1024029705 /nfs/dbraw/zinc/02/97/05/1024029705.db2.gz HHUZHTAWYGWMCH-UHFFFAOYSA-N 0 3 339.439 3.821 20 30 EHEDHN O=C(NCc1cccc2cc[nH]c21)N1CCN(C2CCCCC2)CC1 ZINC000329824408 1024211582 /nfs/dbraw/zinc/21/15/82/1024211582.db2.gz ZXSKVSCLNNHBKX-UHFFFAOYSA-N 0 3 340.471 3.532 20 30 EHEDHN C[C@H](NCc1ccccc1Cn1ccnc1)c1ccc(C#N)c(F)c1 ZINC000346211595 1024502205 /nfs/dbraw/zinc/50/22/05/1024502205.db2.gz YNAQQWXGYCVJAV-HNNXBMFYSA-N 0 3 334.398 3.793 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000097079360 1024977871 /nfs/dbraw/zinc/97/78/71/1024977871.db2.gz OJVIWTCIWKIFOS-KBXCAEBGSA-N 0 3 333.451 3.511 20 30 EHEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000895960716 1025000761 /nfs/dbraw/zinc/00/07/61/1025000761.db2.gz HNZCGYWNXUSVRP-HZPDHXFCSA-N 0 3 342.487 3.532 20 30 EHEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000342410386 1025258385 /nfs/dbraw/zinc/25/83/85/1025258385.db2.gz KIABNGHMIDRWKK-GHTZIAJQSA-N 0 3 349.478 3.711 20 30 EHEDHN CN(CCOc1ccc(C#N)cc1)CCOc1cccc(Cl)c1 ZINC000302808201 1025570462 /nfs/dbraw/zinc/57/04/62/1025570462.db2.gz QYTSLTPYMPOHBY-UHFFFAOYSA-N 0 3 330.815 3.601 20 30 EHEDHN N#Cc1cc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cs1 ZINC000892225125 1025632345 /nfs/dbraw/zinc/63/23/45/1025632345.db2.gz MTAGWWOGBANNIM-WMZOPIPTSA-N 0 3 330.428 3.847 20 30 EHEDHN Cc1cc(C)cc(OC[C@@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425533345 1025661468 /nfs/dbraw/zinc/66/14/68/1025661468.db2.gz DMMGPUUZQWVWPV-PXNSSMCTSA-N 0 3 338.451 3.608 20 30 EHEDHN Cc1oc(NC(=O)CN[C@H](c2cccs2)C2CC2)c(C#N)c1C ZINC000342470018 1025713511 /nfs/dbraw/zinc/71/35/11/1025713511.db2.gz ILSSAUBEVIGVOJ-INIZCTEOSA-N 0 3 329.425 3.509 20 30 EHEDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCCC#N)c1[O-] ZINC000848523653 1025810824 /nfs/dbraw/zinc/81/08/24/1025810824.db2.gz BBLRNGTUNBGUGB-JTQLQIEISA-N 0 3 327.222 3.508 20 30 EHEDHN N#Cc1ccc(CN[C@H]2CCOC23CCCC3)c(Br)c1 ZINC000934386503 1025940293 /nfs/dbraw/zinc/94/02/93/1025940293.db2.gz LGKSPDQANVTQAB-HNNXBMFYSA-N 0 3 335.245 3.512 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000522097731 1025969299 /nfs/dbraw/zinc/96/92/99/1025969299.db2.gz WWAJFQHCGFTDRS-RDJZCZTQSA-N 0 3 332.875 3.718 20 30 EHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)N1CCCCCC1 ZINC000342545969 1026222718 /nfs/dbraw/zinc/22/27/18/1026222718.db2.gz RETDWNQXSQGONF-SFHVURJKSA-N 0 3 346.519 3.633 20 30 EHEDHN N#Cc1cc(CN[C@@H](c2cccs2)C2(CO)CCC2)ccc1F ZINC000452063937 1026459165 /nfs/dbraw/zinc/45/91/65/1026459165.db2.gz YLHKLWDDNPSORB-KRWDZBQOSA-N 0 3 330.428 3.752 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000186325807 1026510280 /nfs/dbraw/zinc/51/02/80/1026510280.db2.gz FZOWICKPIYUFSV-INIZCTEOSA-N 0 3 348.372 3.919 20 30 EHEDHN C=CCN1CCC(Nc2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000301189503 1026716223 /nfs/dbraw/zinc/71/62/23/1026716223.db2.gz VIRRLLHOQGBHEC-UHFFFAOYSA-N 0 3 345.450 3.754 20 30 EHEDHN CCCN(CCN1CCCCC1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000342802583 1027187354 /nfs/dbraw/zinc/18/73/54/1027187354.db2.gz NYHFTGMQAPMKSH-HXUWFJFHSA-N 0 3 341.499 3.798 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(F)cc2F)s1 ZINC000419828230 1027202208 /nfs/dbraw/zinc/20/22/08/1027202208.db2.gz CEWUOMCUFMFHNF-JTQLQIEISA-N 0 3 335.379 3.965 20 30 EHEDHN N#CC(C(=O)c1ccc(C2CC2)cn1)c1ccc(C(F)(F)F)cn1 ZINC000531783405 1027373360 /nfs/dbraw/zinc/37/33/60/1027373360.db2.gz OYKCKKBAIJPECO-CYBMUJFWSA-N 0 3 331.297 3.863 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420943005 1027938193 /nfs/dbraw/zinc/93/81/93/1027938193.db2.gz HSXLPIFECZBKOS-LLVKDONJSA-N 0 3 345.390 3.613 20 30 EHEDHN C=CC(C)(C)CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000455366494 1028072179 /nfs/dbraw/zinc/07/21/79/1028072179.db2.gz MDPSJWKXVLPMDD-KRWDZBQOSA-N 0 3 329.488 3.505 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000582919012 1028246835 /nfs/dbraw/zinc/24/68/35/1028246835.db2.gz QIMOQIPLGGIOAW-FQEVSTJZSA-N 0 3 328.500 3.658 20 30 EHEDHN COc1ccccc1[C@@H](CNCc1ccc(C#N)c(F)c1)OC(C)C ZINC000421348614 1028290777 /nfs/dbraw/zinc/29/07/77/1028290777.db2.gz WMVJFVJRAAJRBW-HXUWFJFHSA-N 0 3 342.414 3.962 20 30 EHEDHN COc1cc(CNCc2ccc(-c3cccnc3)cc2)ccc1C#N ZINC000366902008 1028302351 /nfs/dbraw/zinc/30/23/51/1028302351.db2.gz WMRPHLOYOIMWCJ-UHFFFAOYSA-N 0 3 329.403 3.919 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1c1cccc(F)c1 ZINC000053718064 1028347951 /nfs/dbraw/zinc/34/79/51/1028347951.db2.gz ZRMSAFLXTOBHSC-INIZCTEOSA-N 0 3 343.427 3.925 20 30 EHEDHN Clc1ccc(C#CCNC2(c3ccccc3)CCOCC2)cc1 ZINC000532708854 1028401202 /nfs/dbraw/zinc/40/12/02/1028401202.db2.gz HFLXSTWONPSRJX-UHFFFAOYSA-N 0 3 325.839 3.987 20 30 EHEDHN Cc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1[N+](=O)[O-] ZINC000729685732 1028754049 /nfs/dbraw/zinc/75/40/49/1028754049.db2.gz HJZYKUMUXLPHNI-AWEZNQCLSA-N 0 3 325.368 3.656 20 30 EHEDHN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@H](N)CCCC#N)c2)C1 ZINC000424104114 1028786149 /nfs/dbraw/zinc/78/61/49/1028786149.db2.gz GGQPZICCDSWADU-ATZDWAIDSA-N 0 3 343.471 3.742 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000424083927 1028787961 /nfs/dbraw/zinc/78/79/61/1028787961.db2.gz DGTDOYZIMPGHKJ-HUUCEWRRSA-N 0 3 340.254 3.678 20 30 EHEDHN CC(C)(C)c1ccc(C2(CNC(=O)[C@H](N)CCCC#N)CCC2)cc1 ZINC000424111008 1028807378 /nfs/dbraw/zinc/80/73/78/1028807378.db2.gz FFLYEEVERCVAST-GOSISDBHSA-N 0 3 341.499 3.543 20 30 EHEDHN Cc1ccccc1COc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424148278 1028835284 /nfs/dbraw/zinc/83/52/84/1028835284.db2.gz ZVUFFYVYTRHPKQ-IBGZPJMESA-N 0 3 337.423 3.534 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000272012076 1029271637 /nfs/dbraw/zinc/27/16/37/1029271637.db2.gz CVXSHDRAMFDQIF-UHFFFAOYSA-N 0 3 333.435 3.864 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114621175 1029536025 /nfs/dbraw/zinc/53/60/25/1029536025.db2.gz BZJHSEAMCQPUSM-HNNXBMFYSA-N 0 3 335.388 3.704 20 30 EHEDHN CCN(CC)C(=O)CCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192173229 1029618151 /nfs/dbraw/zinc/61/81/51/1029618151.db2.gz JNMCBKCSTLOLAY-UHFFFAOYSA-N 0 3 345.462 3.558 20 30 EHEDHN C=C(C)COCCNCc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000531883796 1029972212 /nfs/dbraw/zinc/97/22/12/1029972212.db2.gz DKOYYHYKIQXPMM-UHFFFAOYSA-N 0 3 327.472 3.852 20 30 EHEDHN C=CCCCN(C)CC(=O)NCc1ccccc1OC1CCCC1 ZINC000531904480 1030012578 /nfs/dbraw/zinc/01/25/78/1030012578.db2.gz GEMMZIMCAQZACL-UHFFFAOYSA-N 0 3 330.472 3.522 20 30 EHEDHN N#CC1(NC(=O)CNC2(c3ccc(Cl)cc3)CCCCC2)CCC1 ZINC000525886736 1030203829 /nfs/dbraw/zinc/20/38/29/1030203829.db2.gz ZGHRNJSTSXKUSU-UHFFFAOYSA-N 0 3 345.874 3.651 20 30 EHEDHN CC[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447532195 1030268456 /nfs/dbraw/zinc/26/84/56/1030268456.db2.gz SQXUWMXGGGGFPQ-WOJBJXKFSA-N 0 3 333.435 3.795 20 30 EHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000246311525 1030441672 /nfs/dbraw/zinc/44/16/72/1030441672.db2.gz CMCAVQVJYNSKCZ-SCTDSRPQSA-N 0 3 339.483 3.596 20 30 EHEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482527897 1030506409 /nfs/dbraw/zinc/50/64/09/1030506409.db2.gz GAPQQUIXDYMCFO-ZWKOTPCHSA-N 0 3 349.478 3.662 20 30 EHEDHN N#Cc1ccc(N2CCC[C@@H](NC3(c4ccccc4)CCC3)C2=O)cc1 ZINC000447852794 1030541843 /nfs/dbraw/zinc/54/18/43/1030541843.db2.gz CVMZRWDQQPTYGW-HXUWFJFHSA-N 0 3 345.446 3.723 20 30 EHEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2)CN1Cc1ccccc1 ZINC000160128937 1030552831 /nfs/dbraw/zinc/55/28/31/1030552831.db2.gz SFFKOYSUGAMJPP-UZLBHIALSA-N 0 3 348.450 3.537 20 30 EHEDHN CN(C)CCN(C(=O)N[C@@H](CCC#N)c1ccccc1)C1CCCC1 ZINC000160699345 1030941805 /nfs/dbraw/zinc/94/18/05/1030941805.db2.gz QEXSCSIAVBEHQN-IBGZPJMESA-N 0 3 342.487 3.547 20 30 EHEDHN COc1cccc([C@H](CNc2ncc(Cl)c(C)c2C#N)N(C)C)c1 ZINC000343503036 1031160527 /nfs/dbraw/zinc/16/05/27/1031160527.db2.gz ACCVYDDJWBKSJI-KRWDZBQOSA-N 0 3 344.846 3.639 20 30 EHEDHN C=CC[C@H](Cc1ccccc1)NCc1csc(-c2cnn(C)c2)n1 ZINC000527721005 1031181207 /nfs/dbraw/zinc/18/12/07/1031181207.db2.gz MPJLLBCHJSVGGF-QGZVFWFLSA-N 0 3 338.480 3.821 20 30 EHEDHN N#Cc1ccc(CN2CCCN(c3nccc4ccccc43)CC2)cc1 ZINC000527831658 1031299315 /nfs/dbraw/zinc/29/93/15/1031299315.db2.gz IKOHJDBKKRXXPO-UHFFFAOYSA-N 0 3 342.446 3.819 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000175477422 1031339192 /nfs/dbraw/zinc/33/91/92/1031339192.db2.gz ABRSSFDDIUVHJH-BEFAXECRSA-N 0 3 345.462 3.569 20 30 EHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000329691467 1031826963 /nfs/dbraw/zinc/82/69/63/1031826963.db2.gz DKNRRXGOEUDYAB-WNRNVDISSA-N 0 3 344.503 3.965 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc(Cl)cc3ccccc32)CC1 ZINC000668370304 1031889701 /nfs/dbraw/zinc/88/97/01/1031889701.db2.gz UIZOADOVWXRDIW-UHFFFAOYSA-N 0 3 328.843 3.873 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(-n3ccnc3)cc2)n1 ZINC000180781822 1031908632 /nfs/dbraw/zinc/90/86/32/1031908632.db2.gz KGNLXRKLWMODRZ-HNNXBMFYSA-N 0 3 336.420 3.942 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000181160207 1031987883 /nfs/dbraw/zinc/98/78/83/1031987883.db2.gz SGFINWRFTZSUDF-HXUWFJFHSA-N 0 3 341.499 3.868 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000598600793 1033309203 /nfs/dbraw/zinc/30/92/03/1033309203.db2.gz KAZXGFUXYAIFMM-UONOGXRCSA-N 0 3 332.341 3.710 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000594430992 1033369370 /nfs/dbraw/zinc/36/93/70/1033369370.db2.gz FGJOMARUFFBXLW-CYBMUJFWSA-N 0 3 328.441 3.523 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000594457224 1033381073 /nfs/dbraw/zinc/38/10/73/1033381073.db2.gz WSNTYSNDEQVRQC-IBGZPJMESA-N 0 3 333.435 3.654 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000594426413 1033388648 /nfs/dbraw/zinc/38/86/48/1033388648.db2.gz CPWXZRGZNSLLOP-NHCUHLMSSA-N 0 3 347.462 3.572 20 30 EHEDHN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](N)CCCCC#N ZINC000594427012 1033389446 /nfs/dbraw/zinc/38/94/46/1033389446.db2.gz GTPGALHQKSYQIX-OAHLLOKOSA-N 0 3 342.270 3.753 20 30 EHEDHN N#Cc1cccc(C2(NCc3cc(F)cc(F)c3)CCOCC2)c1 ZINC000594984655 1033619343 /nfs/dbraw/zinc/61/93/43/1033619343.db2.gz PTHJTWUPHNKJBH-UHFFFAOYSA-N 0 3 328.362 3.632 20 30 EHEDHN C=CCOc1ccc(CNCc2c(C)[nH]c(C(=O)OCC)c2C)cc1 ZINC000598975889 1033623489 /nfs/dbraw/zinc/62/34/89/1033623489.db2.gz NDFYCXKUTJHGEO-UHFFFAOYSA-N 0 3 342.439 3.663 20 30 EHEDHN CN(CCCN(C)[C@@H](C#N)c1ccc(Cl)cc1)Cc1ccco1 ZINC000595485400 1033812744 /nfs/dbraw/zinc/81/27/44/1033812744.db2.gz YACLSICBFKRYNF-SFHVURJKSA-N 0 3 331.847 3.952 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CCC[C@H]2c2ccccc2Cl)CCOCC1 ZINC000599265397 1033841731 /nfs/dbraw/zinc/84/17/31/1033841731.db2.gz QZQDBWVJBRMFHZ-QAPCUYQASA-N 0 3 348.874 3.548 20 30 EHEDHN C=CCC1(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCCC1 ZINC000450193525 1033872270 /nfs/dbraw/zinc/87/22/70/1033872270.db2.gz NTFAQOFFIBFENH-QGZVFWFLSA-N 0 3 341.499 3.860 20 30 EHEDHN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@H](O)CC1(C#N)CC1 ZINC000599385847 1033912562 /nfs/dbraw/zinc/91/25/62/1033912562.db2.gz PGTKJSUAPZWDKG-HIFRSBDPSA-N 0 3 326.362 3.633 20 30 EHEDHN C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CCc2ccccc21 ZINC000593097304 1033940164 /nfs/dbraw/zinc/94/01/64/1033940164.db2.gz XSMKDRGFAXECJY-OAHLLOKOSA-N 0 3 344.418 3.770 20 30 EHEDHN CC(C)CC1(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000595830507 1034015336 /nfs/dbraw/zinc/01/53/36/1034015336.db2.gz GUEOLJOWTWHBEG-GFCCVEGCSA-N 0 3 331.485 3.604 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1OC ZINC000647371051 1034055701 /nfs/dbraw/zinc/05/57/01/1034055701.db2.gz JDMASZIHRDWXIE-LBPRGKRZSA-N 0 3 328.393 3.528 20 30 EHEDHN CCN(CC)[C@H](CNc1cc(C)c([N+](=O)[O-])c(C#N)c1)c1ccco1 ZINC000596093079 1034080257 /nfs/dbraw/zinc/08/02/57/1034080257.db2.gz QFXFDUICGAOWDH-MRXNPFEDSA-N 0 3 342.399 3.863 20 30 EHEDHN C[C@H](CCc1ccccc1)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000604012550 1034136292 /nfs/dbraw/zinc/13/62/92/1034136292.db2.gz ONFWPWJBSJSEPM-LJQANCHMSA-N 0 3 333.479 3.697 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC(CCN(CCC#N)CC2CC2)CC1 ZINC000179453699 1034310514 /nfs/dbraw/zinc/31/05/14/1034310514.db2.gz FUDKATIZDLWMHG-UHFFFAOYSA-N 0 3 335.492 3.649 20 30 EHEDHN COCCN(CCOc1ccccc1C#N)Cc1ccc(C)cc1C ZINC000604493461 1034396855 /nfs/dbraw/zinc/39/68/55/1034396855.db2.gz SIUJLKIFBMXBAA-UHFFFAOYSA-N 0 3 338.451 3.703 20 30 EHEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCCCC2 ZINC000584472939 1034778160 /nfs/dbraw/zinc/77/81/60/1034778160.db2.gz KWDJBMUDBUSJPJ-QZTJIDSGSA-N 0 3 343.427 3.684 20 30 EHEDHN C=CCN(CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000065959289 1035028665 /nfs/dbraw/zinc/02/86/65/1035028665.db2.gz RRDZZBHBLWIDHP-UHFFFAOYSA-N 0 3 326.396 3.704 20 30 EHEDHN CC(C)CN(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000065962084 1035030377 /nfs/dbraw/zinc/03/03/77/1035030377.db2.gz WNOGVXCQJMANLE-CYBMUJFWSA-N 0 3 333.501 3.803 20 30 EHEDHN C=CCN(CCC(=O)N1CCc2ccccc2C1)Cc1cccs1 ZINC000188938550 1035984226 /nfs/dbraw/zinc/98/42/26/1035984226.db2.gz RPWCUEAPISHTTM-UHFFFAOYSA-N 0 3 340.492 3.711 20 30 EHEDHN Cc1ccccc1[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)C1CC1 ZINC000272067663 1036070760 /nfs/dbraw/zinc/07/07/60/1036070760.db2.gz TXTVZZXNWILIRN-FOIQADDNSA-N 0 3 333.435 3.935 20 30 EHEDHN C[C@H](NC[C@@]1(C)OCCc2sccc21)c1ccc(C#N)cc1F ZINC000589349652 1036368648 /nfs/dbraw/zinc/36/86/48/1036368648.db2.gz LQDUGVWUBQQOEO-KPZWWZAWSA-N 0 3 330.428 3.898 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](CSc2ccccc2)C1 ZINC000464776782 1036768211 /nfs/dbraw/zinc/76/82/11/1036768211.db2.gz SOWNZYYVOACODO-ROUUACIJSA-N 0 3 346.540 3.914 20 30 EHEDHN Cc1nsc(NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1C#N ZINC000376449164 1036876601 /nfs/dbraw/zinc/87/66/01/1036876601.db2.gz OUXZJVUOIYDAPU-IUODEOHRSA-N 0 3 332.498 3.880 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2c(c1)OCCCCO2 ZINC000590653799 1036992127 /nfs/dbraw/zinc/99/21/27/1036992127.db2.gz YAUAQIHUTOGGAM-IBGZPJMESA-N 0 3 334.419 3.887 20 30 EHEDHN C=CCC1(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CCCC1 ZINC000659046193 1036993662 /nfs/dbraw/zinc/99/36/62/1036993662.db2.gz ZIRSYYAKEZSTNC-SFHVURJKSA-N 0 3 343.471 3.606 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1CCCC1 ZINC000077901179 1036995407 /nfs/dbraw/zinc/99/54/07/1036995407.db2.gz JSANQWJMCTUCOW-UHFFFAOYSA-N 0 3 334.533 3.775 20 30 EHEDHN Cc1c(Cl)cnc(N[C@H]2CCN(C)[C@H]2c2ccccc2)c1C#N ZINC000542207953 1037178192 /nfs/dbraw/zinc/17/81/92/1037178192.db2.gz JVDSESNZAQYSGL-IRXDYDNUSA-N 0 3 326.831 3.772 20 30 EHEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1C#N ZINC000542207952 1037180763 /nfs/dbraw/zinc/18/07/63/1037180763.db2.gz JVDSESNZAQYSGL-IAGOWNOFSA-N 0 3 326.831 3.772 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CC#Cc1ccc(F)cc1 ZINC001168193615 1037185879 /nfs/dbraw/zinc/18/58/79/1037185879.db2.gz SGNZZGILUITHGU-MOPGFXCFSA-N 0 3 336.454 3.772 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CNC(CC)(CC)c1ccc(Cl)cc1 ZINC000303205864 1037218876 /nfs/dbraw/zinc/21/88/76/1037218876.db2.gz NDSSBIJIURPNQY-HNNXBMFYSA-N 0 3 349.906 3.953 20 30 EHEDHN Cn1cc(CNCc2ccc(-c3ccccc3C#N)cc2)cc1C#N ZINC000191549836 1037231703 /nfs/dbraw/zinc/23/17/03/1037231703.db2.gz HCYSLYIPOCGMLW-UHFFFAOYSA-N 0 3 326.403 3.725 20 30 EHEDHN N#Cc1cccc(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000104705740 1037354994 /nfs/dbraw/zinc/35/49/94/1037354994.db2.gz ULQNORHATAQDCA-HXUWFJFHSA-N 0 3 337.398 3.767 20 30 EHEDHN CCN(CCC1CC1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000760879127 1037566279 /nfs/dbraw/zinc/56/62/79/1037566279.db2.gz AVTPPEYUMKDFPM-CQSZACIVSA-N 0 3 327.453 3.595 20 30 EHEDHN CCN(CCC1CC1)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000760891002 1037603891 /nfs/dbraw/zinc/60/38/91/1037603891.db2.gz YVLLSCGBLVAIMQ-QGZVFWFLSA-N 0 3 327.472 3.752 20 30 EHEDHN C#C[C@@H](NC1CCN(C(=O)CC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000491788534 1037673134 /nfs/dbraw/zinc/67/31/34/1037673134.db2.gz XNEJWTNIHAROAN-GOSISDBHSA-N 0 3 330.447 3.517 20 30 EHEDHN N#Cc1ccc(NC(=O)CN2CCCC23CCCCC3)cc1Cl ZINC001168234890 1037840943 /nfs/dbraw/zinc/84/09/43/1037840943.db2.gz ORBGMFGUXRTGIB-UHFFFAOYSA-N 0 3 331.847 3.949 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)cc1F ZINC000592165831 1037911034 /nfs/dbraw/zinc/91/10/34/1037911034.db2.gz FSPDQUVNZOHJIX-RTWAWAEBSA-N 0 3 338.426 3.655 20 30 EHEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OC[C@@H]2CCCO2)c1 ZINC000463242426 1037927469 /nfs/dbraw/zinc/92/74/69/1037927469.db2.gz MAFACOGPGJHMOL-UHOSZYNNSA-N 0 3 328.456 3.725 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000592507363 1038014549 /nfs/dbraw/zinc/01/45/49/1038014549.db2.gz XPRDWKGHTHBMGF-WOJBJXKFSA-N 0 3 341.499 3.662 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2cccc(C)c2)CC(C)C)CC1 ZINC000592528658 1038027988 /nfs/dbraw/zinc/02/79/88/1038027988.db2.gz RCRNYIVAKPLZON-UHFFFAOYSA-N 0 3 343.515 3.813 20 30 EHEDHN N#Cc1ccccc1CSCCNCc1cc(F)c(F)cc1F ZINC000540516338 1038042038 /nfs/dbraw/zinc/04/20/38/1038042038.db2.gz CNRITYHYYGATJV-UHFFFAOYSA-N 0 3 336.382 3.999 20 30 EHEDHN C=CCCn1cc(CNC[C@@H](C)c2ccc(Br)cc2)nn1 ZINC000897469412 1038077271 /nfs/dbraw/zinc/07/72/71/1038077271.db2.gz JVAXNHMJTXABNM-CYBMUJFWSA-N 0 3 349.276 3.510 20 30 EHEDHN C=CCCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000461582632 1038510426 /nfs/dbraw/zinc/51/04/26/1038510426.db2.gz UVTFTDDHXYJYOY-UHFFFAOYSA-N 0 3 326.484 4.000 20 30 EHEDHN C=CCN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461950555 1038690154 /nfs/dbraw/zinc/69/01/54/1038690154.db2.gz ASMUEVSWCYFVQV-UHFFFAOYSA-N 0 3 343.349 3.984 20 30 EHEDHN Cc1cccc(OCCCC(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000128085278 1038703648 /nfs/dbraw/zinc/70/36/48/1038703648.db2.gz SDZXJCGGZFPXCG-SFHVURJKSA-N 0 3 336.391 3.502 20 30 EHEDHN CCSc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000539305631 1038776384 /nfs/dbraw/zinc/77/63/84/1038776384.db2.gz WVBOXOOUWDWVFM-YZVOILCLSA-N 0 3 347.528 3.892 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000911313895 1039327820 /nfs/dbraw/zinc/32/78/20/1039327820.db2.gz WXPGJSLDYVGNGT-HNNXBMFYSA-N 0 3 346.434 3.996 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(NC(C)=O)c(OC)c1 ZINC000912316914 1039811514 /nfs/dbraw/zinc/81/15/14/1039811514.db2.gz VFYZNLPAICMKEM-MRXNPFEDSA-N 0 3 349.475 3.670 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c(C(F)(F)F)c1 ZINC000573500332 1040131313 /nfs/dbraw/zinc/13/13/13/1040131313.db2.gz QXSMXYVYGMQKFU-GOEBONIOSA-N 0 3 338.373 3.826 20 30 EHEDHN C=CCOc1ccccc1CN1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC000512561753 1040132574 /nfs/dbraw/zinc/13/25/74/1040132574.db2.gz MBPMKAOMEZIYPB-HKUYNNGSSA-N 0 3 344.499 3.768 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCOC2CCSCC2)c([O-])c1 ZINC000899233658 1040190349 /nfs/dbraw/zinc/19/03/49/1040190349.db2.gz MCBWGTXCZHYJFD-XMHGGMMESA-N 0 3 336.501 3.570 20 30 EHEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)C2(C)CCCC2)cc1 ZINC000489866796 1040213102 /nfs/dbraw/zinc/21/31/02/1040213102.db2.gz SJIPNMYMJUKOOO-UHFFFAOYSA-N 0 3 343.471 3.596 20 30 EHEDHN COC(=O)c1ccc(CN(C)Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614170688 1040357474 /nfs/dbraw/zinc/35/74/74/1040357474.db2.gz JCRWEIUKTXWKAL-UHFFFAOYSA-N 0 3 336.435 3.906 20 30 EHEDHN COc1ccc(O[C@H](C)CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512665907 1040458889 /nfs/dbraw/zinc/45/88/89/1040458889.db2.gz IALJDXTYPVOSMK-ZIAGYGMSSA-N 0 3 328.387 3.824 20 30 EHEDHN CC(=O)c1cccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433024837 1040486836 /nfs/dbraw/zinc/48/68/36/1040486836.db2.gz ZENIWOOYKIDVAQ-HXUWFJFHSA-N 0 3 349.434 3.852 20 30 EHEDHN C[C@H]1Cc2ccccc2N1C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433030325 1040502874 /nfs/dbraw/zinc/50/28/74/1040502874.db2.gz JOKXEXFELSWELF-FXAWDEMLSA-N 0 3 347.462 3.989 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1ccccc1F)c1ccccc1 ZINC000433035070 1040532849 /nfs/dbraw/zinc/53/28/49/1040532849.db2.gz KMNMPJLTKZVGCX-KRWDZBQOSA-N 0 3 325.387 3.789 20 30 EHEDHN COc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000600192090 1040802672 /nfs/dbraw/zinc/80/26/72/1040802672.db2.gz SOTYCWRWOLNILY-UHFFFAOYSA-N 0 3 335.451 3.952 20 30 EHEDHN Cc1ccccc1C(C)(C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000555612594 1040913430 /nfs/dbraw/zinc/91/34/30/1040913430.db2.gz VGIYZHNCKJBHDR-UHFFFAOYSA-N 0 3 341.842 3.984 20 30 EHEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000925675317 1040954964 /nfs/dbraw/zinc/95/49/64/1040954964.db2.gz VQZMRBJJFCGLCA-VMGRFDJRSA-N 0 3 333.863 3.530 20 30 EHEDHN COCCc1nc(C)c([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000092740966 1040968583 /nfs/dbraw/zinc/96/85/83/1040968583.db2.gz UWSPNXITRNTNKO-QWHCGFSZSA-N 0 3 329.469 3.924 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](C)[C@H](C)[C@H]2C)c1C ZINC000419336767 1041403075 /nfs/dbraw/zinc/40/30/75/1041403075.db2.gz AOQKCGQVHJTRBF-XYJFISCASA-N 0 3 327.472 3.526 20 30 EHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(CC#N)cc1 ZINC000469048039 1041435296 /nfs/dbraw/zinc/43/52/96/1041435296.db2.gz TXNDAQKNNYJMDG-OAQYLSRUSA-N 0 3 349.478 3.639 20 30 EHEDHN C=CCC[C@@H](NCCOc1cccc(NC(C)=O)c1)c1ccco1 ZINC000278839042 1041634691 /nfs/dbraw/zinc/63/46/91/1041634691.db2.gz DCHRABMGQWBRHV-GOSISDBHSA-N 0 3 328.412 3.914 20 30 EHEDHN C=CCN(CC(=O)NCc1ccc(COC(C)C)cc1)C(C)(C)C ZINC000661756260 1042307697 /nfs/dbraw/zinc/30/76/97/1042307697.db2.gz HZEZYJUBBZZNNE-UHFFFAOYSA-N 0 3 332.488 3.514 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000662085358 1042503505 /nfs/dbraw/zinc/50/35/05/1042503505.db2.gz FRNKEDORQLUDBQ-MWDXBVQZSA-N 0 3 330.497 3.983 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000165421855 1042815244 /nfs/dbraw/zinc/81/52/44/1042815244.db2.gz QVIXHIMTGXDMJJ-GJZGRUSLSA-N 0 3 337.423 3.601 20 30 EHEDHN Cc1ncc(CO)c(C[NH2+]C#C[Si](C(C)C)(C(C)C)C(C)C)c1[O-] ZINC001167818773 1042893216 /nfs/dbraw/zinc/89/32/16/1042893216.db2.gz GZEQCFOHDISNAU-UHFFFAOYSA-N 0 3 348.563 3.856 20 30 EHEDHN CN(CC(=O)Nc1cccc(C#N)c1)C1CCC(C(F)(F)F)CC1 ZINC000344128660 1043297569 /nfs/dbraw/zinc/29/75/69/1043297569.db2.gz LAUCJQKIVWRJRV-UHFFFAOYSA-N 0 3 339.361 3.550 20 30 EHEDHN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(C#N)c1 ZINC000344312723 1043650988 /nfs/dbraw/zinc/65/09/88/1043650988.db2.gz XRWWUBAVBMYRLE-CZUORRHYSA-N 0 3 339.826 3.668 20 30 EHEDHN CN(C)CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000279689282 1044422456 /nfs/dbraw/zinc/42/24/56/1044422456.db2.gz PQUDYQVNFKYEBJ-UHFFFAOYSA-N 0 3 335.451 3.696 20 30 EHEDHN CC(C)Sc1ccc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000112543349 1044612782 /nfs/dbraw/zinc/61/27/82/1044612782.db2.gz QGUQQKYVDPYHAU-LSDHHAIUSA-N 0 3 333.501 3.598 20 30 EHEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1 ZINC000180139247 1127125226 /nfs/dbraw/zinc/12/52/26/1127125226.db2.gz JOHGDZHYOGLGKA-ZNLUXHQJSA-N 0 3 334.463 3.908 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3CCCCCC3)nc2)n1 ZINC000193267872 1127414372 /nfs/dbraw/zinc/41/43/72/1127414372.db2.gz QJVCMBJJYQXJKF-OAHLLOKOSA-N 0 3 340.452 3.717 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](c2ccccc2)C(C)C)CC1 ZINC000106259843 1128488015 /nfs/dbraw/zinc/48/80/15/1128488015.db2.gz VXOVYFCVPKGMJL-HXUWFJFHSA-N 0 3 343.515 3.766 20 30 EHEDHN Cc1cc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc(C)c1O ZINC000347641274 1128504632 /nfs/dbraw/zinc/50/46/32/1128504632.db2.gz RFJULVYVICUNOX-UHFFFAOYSA-N 0 3 336.435 3.924 20 30 EHEDHN CN(C)[C@H](CNc1nc2c(cc1C#N)CCCC2)c1cccc(F)c1 ZINC000301076940 1128571690 /nfs/dbraw/zinc/57/16/90/1128571690.db2.gz HYUKTHIGPMTUFQ-LJQANCHMSA-N 0 3 338.430 3.686 20 30 EHEDHN N#Cc1cnc2ccc(Cl)cc2c1N1CCN(C2CCCC2)CC1 ZINC000301333553 1128585577 /nfs/dbraw/zinc/58/55/77/1128585577.db2.gz FLTFWMLQIBCFPH-UHFFFAOYSA-N 0 3 340.858 3.824 20 30 EHEDHN Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(C2CCCC2)CC1 ZINC000301331305 1128585611 /nfs/dbraw/zinc/58/56/11/1128585611.db2.gz DTECFURCDWUVTC-UHFFFAOYSA-N 0 3 338.430 3.619 20 30 EHEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000301484818 1128593484 /nfs/dbraw/zinc/59/34/84/1128593484.db2.gz VVUDVOJUEMUDLV-KRWDZBQOSA-N 0 3 344.802 3.835 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000302099349 1128619370 /nfs/dbraw/zinc/61/93/70/1128619370.db2.gz KPZNWPOZFFFIQW-YWZLYKJASA-N 0 3 333.435 3.836 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000302184549 1128624601 /nfs/dbraw/zinc/62/46/01/1128624601.db2.gz SUNDCCRHMDMSAV-YCRPNKLZSA-N 0 3 333.435 3.693 20 30 EHEDHN N#Cc1cc(CN[C@@H]2CCN(c3ccccc3OC(F)F)C2)cs1 ZINC000921752670 1128730522 /nfs/dbraw/zinc/73/05/22/1128730522.db2.gz WHCWAHRYGBIDHF-CYBMUJFWSA-N 0 3 349.406 3.590 20 30 EHEDHN C#CCN(C(=O)N[C@H](CC)c1cccc(Cl)c1)C1CCN(C)CC1 ZINC000914052721 1120373043 /nfs/dbraw/zinc/37/30/43/1120373043.db2.gz AZURBTFTUDPUGA-GOSISDBHSA-N 0 3 347.890 3.530 20 30 EHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000185037164 1120396920 /nfs/dbraw/zinc/39/69/20/1120396920.db2.gz XGWCIRYLLSORJB-LPHOPBHVSA-N 0 3 332.488 3.797 20 30 EHEDHN COCCCOc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921920560 1128919297 /nfs/dbraw/zinc/91/92/97/1128919297.db2.gz ABKBOIKSYPXSCM-UHFFFAOYSA-N 0 3 338.451 3.880 20 30 EHEDHN Cc1ccccc1NC(=O)C[C@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000272194557 1120561262 /nfs/dbraw/zinc/56/12/62/1120561262.db2.gz IAJPJEIJWRZNKW-INIZCTEOSA-N 0 3 333.435 3.863 20 30 EHEDHN C[C@@H](CCC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000542535476 1120934658 /nfs/dbraw/zinc/93/46/58/1120934658.db2.gz QOQPPNRKFNWTON-KRWDZBQOSA-N 0 3 343.515 3.911 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2cccc(Cl)c2)CC1 ZINC000171710308 1121490482 /nfs/dbraw/zinc/49/04/82/1121490482.db2.gz VAIZNMBHDROKFH-QGZVFWFLSA-N 0 3 335.879 3.741 20 30 EHEDHN CN(C)c1ccc([C@@H](CNCCC#N)c2c[nH]c3ccccc32)cc1 ZINC000916576863 1122202234 /nfs/dbraw/zinc/20/22/34/1122202234.db2.gz WCRAWEOAHXXTCU-LJQANCHMSA-N 0 3 332.451 3.869 20 30 EHEDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000125715800 1122327111 /nfs/dbraw/zinc/32/71/11/1122327111.db2.gz JSJYOTKHKGYXIQ-UHFFFAOYSA-N 0 3 330.476 3.539 20 30 EHEDHN Cc1oc(-c2ccccc2)nc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000916898693 1122382240 /nfs/dbraw/zinc/38/22/40/1122382240.db2.gz GYXQYEPOQPGJOF-MRXNPFEDSA-N 0 3 345.358 3.611 20 30 EHEDHN CCOc1ccc(/C=N/C[C@@H](c2ccc(F)cc2)N(C)C)c(O)c1 ZINC000917557788 1122637537 /nfs/dbraw/zinc/63/75/37/1122637537.db2.gz VNPSTTUENKHFEK-IUOVYFEOSA-N 0 3 330.403 3.652 20 30 EHEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)C1=O ZINC000499608940 1129077607 /nfs/dbraw/zinc/07/76/07/1129077607.db2.gz WXNXRNPPWXGEGW-YWZLYKJASA-N 0 3 338.426 3.930 20 30 EHEDHN C#CCOc1ccccc1CN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000920956676 1123442723 /nfs/dbraw/zinc/44/27/23/1123442723.db2.gz UYBCPZCORUJVNF-QGZVFWFLSA-N 0 3 331.419 3.735 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175096354 1123592902 /nfs/dbraw/zinc/59/29/02/1123592902.db2.gz DVDOPNQEONXODJ-GHMZBOCLSA-N 0 3 326.849 3.520 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175095703 1123592989 /nfs/dbraw/zinc/59/29/89/1123592989.db2.gz RLZMTQZQVKWPIQ-NWDGAFQWSA-N 0 3 340.876 3.910 20 30 EHEDHN CN1CCC(N(C(=O)CCc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000609566765 1123610243 /nfs/dbraw/zinc/61/02/43/1123610243.db2.gz LMYBRYWORGXAFJ-UHFFFAOYSA-N 0 3 347.462 3.618 20 30 EHEDHN Cc1c([C@H](C)NCc2ccc(OCC#N)cc2)cccc1[N+](=O)[O-] ZINC000180550016 1124028682 /nfs/dbraw/zinc/02/86/82/1124028682.db2.gz OTPMZCCHYLVUPC-AWEZNQCLSA-N 0 3 325.368 3.656 20 30 EHEDHN N#Cc1ccc(Br)c(CNCCCC2CCOCC2)c1 ZINC000922150379 1129162539 /nfs/dbraw/zinc/16/25/39/1129162539.db2.gz SPJYPIUADDMQOZ-UHFFFAOYSA-N 0 3 337.261 3.617 20 30 EHEDHN Cc1cc(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000618594543 1125125017 /nfs/dbraw/zinc/12/50/17/1125125017.db2.gz LMUMFYKXDFZYQI-INIZCTEOSA-N 0 3 328.456 3.811 20 30 EHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000618805315 1125207865 /nfs/dbraw/zinc/20/78/65/1125207865.db2.gz GFAQXUVAXIVKDK-XCLFUZPHSA-N 0 3 331.419 3.781 20 30 EHEDHN C[C@@](C#N)(NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000182569252 1125331908 /nfs/dbraw/zinc/33/19/08/1125331908.db2.gz LDFGGIJDAZEKCE-MOPGFXCFSA-N 0 3 345.874 3.579 20 30 EHEDHN N#Cc1ccc(Br)c(CNCC[C@@H]2CCCS2)c1 ZINC000922309210 1129454097 /nfs/dbraw/zinc/45/40/97/1129454097.db2.gz SYGJXADTFDVGLC-ZDUSSCGKSA-N 0 3 325.275 3.696 20 30 EHEDHN N#Cc1ccc(Br)c(CNCC[C@H]2CCCS2)c1 ZINC000922309209 1129454299 /nfs/dbraw/zinc/45/42/99/1129454299.db2.gz SYGJXADTFDVGLC-CYBMUJFWSA-N 0 3 325.275 3.696 20 30 EHEDHN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(C#N)o1 ZINC000092078276 1129531809 /nfs/dbraw/zinc/53/18/09/1129531809.db2.gz BLTLWXURXRTGNX-UHFFFAOYSA-N 0 3 338.386 3.745 20 30 EHEDHN N#CC(C(=O)C=Cc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000214227669 1129653813 /nfs/dbraw/zinc/65/38/13/1129653813.db2.gz XEWJNWAKPKEGAM-YYRKOSNBSA-N 0 3 340.814 3.548 20 30 EHEDHN Cc1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc(C)c1O ZINC000347810313 1129853518 /nfs/dbraw/zinc/85/35/18/1129853518.db2.gz JXFBXZJVAWHTLQ-UHFFFAOYSA-N 0 3 336.435 3.924 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccccc2SC(F)(F)F)CC1 ZINC000729977101 1130661382 /nfs/dbraw/zinc/66/13/82/1130661382.db2.gz IXTYVGDTCQVJKK-UHFFFAOYSA-N 0 3 344.402 3.679 20 30 EHEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000730122832 1130677330 /nfs/dbraw/zinc/67/73/30/1130677330.db2.gz VHRUBXFKYNIZDH-SJLPKXTDSA-N 0 3 335.536 3.789 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000731288627 1130783537 /nfs/dbraw/zinc/78/35/37/1130783537.db2.gz YOKNNSCRWPSQHR-VAMGGRTRSA-N 0 3 348.446 3.959 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2OCCc3ccccc32)c([O-])c1 ZINC000733080909 1130988789 /nfs/dbraw/zinc/98/87/89/1130988789.db2.gz GAXGCTMUEPRESW-ODLJZMMESA-N 0 3 338.451 3.971 20 30 EHEDHN N#Cc1ccccc1/C=C/C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000739649370 1131508200 /nfs/dbraw/zinc/50/82/00/1131508200.db2.gz NIPNZULRQWEGHQ-OUKQBFOZSA-N 0 3 345.446 3.700 20 30 EHEDHN C#CCOc1ccccc1CNC[C@@H](OC)c1ccc(Cl)cc1 ZINC000742378000 1131718613 /nfs/dbraw/zinc/71/86/13/1131718613.db2.gz RQBGLAQACWMBJE-LJQANCHMSA-N 0 3 329.827 3.829 20 30 EHEDHN C#CCOc1ccccc1CNC[C@H](C)Oc1ccccc1Cl ZINC000742379699 1131718664 /nfs/dbraw/zinc/71/86/64/1131718664.db2.gz ZZXPYWDSZJGBNE-HNNXBMFYSA-N 0 3 329.827 3.909 20 30 EHEDHN C[C@@H](CCCC#N)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001172491313 1131757742 /nfs/dbraw/zinc/75/77/42/1131757742.db2.gz DQMVYFUOIFYOMX-AWEZNQCLSA-N 0 3 325.378 3.910 20 30 EHEDHN C[C@@H](Cc1c(F)cccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001172847983 1131870247 /nfs/dbraw/zinc/87/02/47/1131870247.db2.gz QWUCPWMQIJVUHW-ZUZCIYMTSA-N 0 3 325.836 3.684 20 30 EHEDHN CCS[C@H]1CC[C@H](N(C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743397900 1131911168 /nfs/dbraw/zinc/91/11/68/1131911168.db2.gz DODLLRNMCMASJM-ROUUACIJSA-N 0 3 340.496 3.985 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(Cl)cc2)C[C@H]1C#N ZINC001172967519 1131919895 /nfs/dbraw/zinc/91/98/95/1131919895.db2.gz JULDOQVHDZZWOL-HOTGVXAUSA-N 0 3 349.862 3.721 20 30 EHEDHN N#CCC1CCC(N2CCN(Cc3c(F)cccc3F)CC2)CC1 ZINC001173337038 1132053003 /nfs/dbraw/zinc/05/30/03/1132053003.db2.gz WQBNOLPVPVSXMK-UHFFFAOYSA-N 0 3 333.426 3.555 20 30 EHEDHN CC1(C#N)CCC(N2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001173597663 1132101217 /nfs/dbraw/zinc/10/12/17/1132101217.db2.gz DDEUNIVGQKXVJP-UHFFFAOYSA-N 0 3 331.891 3.930 20 30 EHEDHN CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC(C)(C#N)CC1 ZINC001173599736 1132101795 /nfs/dbraw/zinc/10/17/95/1132101795.db2.gz PRDKSTOYXFOARG-MDCZIUGASA-N 0 3 335.492 3.790 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](CC(C)C)C2)cc1 ZINC000745946391 1132334938 /nfs/dbraw/zinc/33/49/38/1132334938.db2.gz BVQMVOOCIZKXFI-RTBURBONSA-N 0 3 341.499 3.998 20 30 EHEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(SC)cc1)C2 ZINC001204141642 1132354151 /nfs/dbraw/zinc/35/41/51/1132354151.db2.gz WHJDJOFBDYMOQO-PKOBYXMFSA-N 0 3 333.497 3.735 20 30 EHEDHN Cc1ccc(CN(CC(=O)NCc2ccc(C#N)cc2)C(C)(C)C)cc1 ZINC001174779282 1132463610 /nfs/dbraw/zinc/46/36/10/1132463610.db2.gz CTFPTBMAUDSYFX-UHFFFAOYSA-N 0 3 349.478 3.784 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000785486702 1132748275 /nfs/dbraw/zinc/74/82/75/1132748275.db2.gz LAOGPRBPPKTALT-OAHLLOKOSA-N 0 3 343.471 3.998 20 30 EHEDHN N#Cc1sc(NC[C@H](c2ccccc2)N2CCCC2)nc1Cl ZINC000804326334 1132766891 /nfs/dbraw/zinc/76/68/91/1132766891.db2.gz NYTBBZMRFCSEBE-CYBMUJFWSA-N 0 3 332.860 3.917 20 30 EHEDHN C#C[C@@H](NCc1cccc2c(Br)cccc12)[C@H]1CCCO1 ZINC001169498337 1132771754 /nfs/dbraw/zinc/77/17/54/1132771754.db2.gz ZWGRCEPZIUMKKP-QZTJIDSGSA-N 0 3 344.252 3.873 20 30 EHEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1Cn1cccn1 ZINC001177524752 1133073947 /nfs/dbraw/zinc/07/39/47/1133073947.db2.gz HWWBIKJOGDZCRV-MRXNPFEDSA-N 0 3 346.434 3.662 20 30 EHEDHN C#CCCOc1ccc(CN(C)Cc2ccc(C(=O)OC)cc2)cc1 ZINC000768783823 1133182548 /nfs/dbraw/zinc/18/25/48/1133182548.db2.gz ZTAGKYYCCZGKPE-UHFFFAOYSA-N 0 3 337.419 3.507 20 30 EHEDHN N#Cc1cccc(OC2CCN(Cc3ccc4c(c3)COC4)CC2)c1 ZINC000768894426 1133197913 /nfs/dbraw/zinc/19/79/13/1133197913.db2.gz XJIZKMCXLVBXCD-UHFFFAOYSA-N 0 3 334.419 3.632 20 30 EHEDHN C#CCCOc1ccc(CN(C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000769020573 1133214590 /nfs/dbraw/zinc/21/45/90/1133214590.db2.gz FFGLSSGQEZCZCI-QFIPXVFZSA-N 0 3 335.447 3.835 20 30 EHEDHN FC(F)(F)c1ccccc1N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001181053452 1133444943 /nfs/dbraw/zinc/44/49/43/1133444943.db2.gz BECYOCLZRKZUFZ-QGZVFWFLSA-N 0 3 344.380 3.925 20 30 EHEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000772349386 1133673717 /nfs/dbraw/zinc/67/37/17/1133673717.db2.gz VQKVHDLGEMZNQT-ZWKOTPCHSA-N 0 3 327.472 3.813 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@@H](C)c2ccccc2)c1 ZINC000786540326 1133863497 /nfs/dbraw/zinc/86/34/97/1133863497.db2.gz LGISONMHVQJSET-XLIONFOSSA-N 0 3 348.446 3.904 20 30 EHEDHN C[C@H](NC[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(C#N)cc1F ZINC000787026175 1133939163 /nfs/dbraw/zinc/93/91/63/1133939163.db2.gz NCKLCCAWFNPGGI-DYZYQPBXSA-N 0 3 336.769 3.874 20 30 EHEDHN C[C@@H](NC[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000787028853 1133940158 /nfs/dbraw/zinc/94/01/58/1133940158.db2.gz WQJAZHDTMPWSIE-QGHHPUGFSA-N 0 3 336.769 3.874 20 30 EHEDHN C/C(C=Nn1cnnc1-c1ccccc1)=C\c1cccc([N+](=O)[O-])c1 ZINC000787151971 1133960041 /nfs/dbraw/zinc/96/00/41/1133960041.db2.gz NKRAEOAAQDCYQK-KSDZURJPSA-N 0 3 333.351 3.791 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC001185635746 1134116227 /nfs/dbraw/zinc/11/62/27/1134116227.db2.gz LUDBYZNTHWWGGI-LBPRGKRZSA-N 0 3 345.340 3.616 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)NC(C)(C)c1cccc(C(=C)C)c1 ZINC001189281751 1134560199 /nfs/dbraw/zinc/56/01/99/1134560199.db2.gz MJURDPPSWSLUQU-IBGZPJMESA-N 0 3 341.499 3.904 20 30 EHEDHN CC[C@@](C)(NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000775387279 1134701069 /nfs/dbraw/zinc/70/10/69/1134701069.db2.gz KNJSIOABNACCEJ-LJQANCHMSA-N 0 3 327.472 3.586 20 30 EHEDHN CN(C)c1ccc(CNCc2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000792920501 1134825601 /nfs/dbraw/zinc/82/56/01/1134825601.db2.gz XNPFBAKZCNOXCX-UHFFFAOYSA-N 0 3 333.357 3.933 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cc(F)c(F)cc3F)nc21 ZINC000793158026 1134857759 /nfs/dbraw/zinc/85/77/59/1134857759.db2.gz YWFJWHZSJSAABF-LLVKDONJSA-N 0 3 343.308 3.708 20 30 EHEDHN CCCCCCC[C@H](C)NC(=O)N1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001192938237 1135080031 /nfs/dbraw/zinc/08/00/31/1135080031.db2.gz KNOSZFKYRMYQME-OKZBNKHCSA-N 0 3 341.515 3.953 20 30 EHEDHN CCCCCCCOC(=O)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001193995663 1135219184 /nfs/dbraw/zinc/21/91/84/1135219184.db2.gz UKMXADOYENEWSV-OALUTQOASA-N 0 3 345.487 3.552 20 30 EHEDHN C[C@H](NC[C@@H](O)Cc1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000805749341 1135318553 /nfs/dbraw/zinc/31/85/53/1135318553.db2.gz LPCXZYNVMQTMMU-LRDDRELGSA-N 0 3 332.806 3.605 20 30 EHEDHN C#Cc1cccc(NC(=O)NC[C@H](N[C@H](C)CC)c2ccco2)c1 ZINC000806182850 1135407622 /nfs/dbraw/zinc/40/76/22/1135407622.db2.gz FEEJXYQRQOUDLK-PBHICJAKSA-N 0 3 325.412 3.512 20 30 EHEDHN C=CCN(CC(=O)N[C@@H](CC)c1ccccc1OCC)C(C)(C)C ZINC001196198450 1135529954 /nfs/dbraw/zinc/52/99/54/1135529954.db2.gz LVLABHAETMJYLA-KRWDZBQOSA-N 0 3 332.488 3.939 20 30 EHEDHN C#CC[C@H]1CCN(Cc2nc3ccccc3n2-c2ccc(OC)cc2)C1 ZINC001197701234 1135727244 /nfs/dbraw/zinc/72/72/44/1135727244.db2.gz FZQYNFRPKMXJGC-KRWDZBQOSA-N 0 3 345.446 3.879 20 30 EHEDHN C#CC[C@H]1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC001197701475 1135727369 /nfs/dbraw/zinc/72/73/69/1135727369.db2.gz JTYNRKBYEANQNB-IBGZPJMESA-N 0 3 332.447 3.565 20 30 EHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810129931 1135925258 /nfs/dbraw/zinc/92/52/58/1135925258.db2.gz RPOKPIWGUAWIOC-INIZCTEOSA-N 0 3 333.435 3.926 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCSC2)cc1 ZINC000810532367 1135971100 /nfs/dbraw/zinc/97/11/00/1135971100.db2.gz DBTRGBUWNFGYAO-JLJPHGGASA-N 0 3 344.480 3.991 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ncc(C)c(OC)c2C)c([O-])c1 ZINC000747615491 1135983175 /nfs/dbraw/zinc/98/31/75/1135983175.db2.gz XCTNFDRXTPAPDM-MTJSOVHGSA-N 0 3 341.455 3.878 20 30 EHEDHN N#Cc1cccc(N)c1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201483369 1136033118 /nfs/dbraw/zinc/03/31/18/1136033118.db2.gz XAAOJWXXDALERY-MOPGFXCFSA-N 0 3 330.435 3.873 20 30 EHEDHN C#CCOc1ccc(CNCc2cn(CC)nc2-c2ccccc2)cc1 ZINC001202465662 1136146616 /nfs/dbraw/zinc/14/66/16/1136146616.db2.gz FVTINTDGYWFYTM-UHFFFAOYSA-N 0 3 345.446 3.872 20 30 EHEDHN CCN(c1ccc(NC(=O)C(C#N)c2nc(C)cs2)cc1)C(C)C ZINC000812454447 1136210732 /nfs/dbraw/zinc/21/07/32/1136210732.db2.gz HJPQVWWESNNMPB-MRXNPFEDSA-N 0 3 342.468 3.932 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc(COC)cs2)c1 ZINC000850137108 1136213291 /nfs/dbraw/zinc/21/32/91/1136213291.db2.gz IWDXCSLKOOZYAR-INIZCTEOSA-N 0 3 330.453 3.865 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000747792486 1136218996 /nfs/dbraw/zinc/21/89/96/1136218996.db2.gz SOWRNVBZCLVRDJ-PZJWPPBQSA-N 0 3 336.435 3.655 20 30 EHEDHN C#C[C@@H](NC1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000812793319 1136251353 /nfs/dbraw/zinc/25/13/53/1136251353.db2.gz TYIQCIXKKIOCRY-VMWRSERWSA-N 0 3 331.431 3.990 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)[C@@H](C)COC)cc1 ZINC000813059896 1136283756 /nfs/dbraw/zinc/28/37/56/1136283756.db2.gz KMPIZSSEVSTZCZ-YRBFXIGRSA-N 0 3 344.455 3.766 20 30 EHEDHN C=CCCCCCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850765538 1136302301 /nfs/dbraw/zinc/30/23/01/1136302301.db2.gz YFPOZQSTPKYRBZ-SFHVURJKSA-N 0 3 331.460 3.606 20 30 EHEDHN Cc1cccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000813214282 1136303881 /nfs/dbraw/zinc/30/38/81/1136303881.db2.gz QLAPAUBEZZDHFT-CQSZACIVSA-N 0 3 334.297 3.664 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(OC)cc2)ccc1OC ZINC000113348252 1136697127 /nfs/dbraw/zinc/69/71/27/1136697127.db2.gz HXCFURXDFLUCAW-KRWDZBQOSA-N 0 3 340.423 3.675 20 30 EHEDHN CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2ccc(Cl)cc2C#N)C1 ZINC000776823009 1136712428 /nfs/dbraw/zinc/71/24/28/1136712428.db2.gz LMFLOSUHQQABSY-DZGCQCFKSA-N 0 3 349.862 3.558 20 30 EHEDHN C[C@@H]1[C@H](OC(=O)c2ccc(C#N)cc2)CCCN1Cc1ccccc1 ZINC000816469300 1136718935 /nfs/dbraw/zinc/71/89/35/1136718935.db2.gz VRRJEXXMNLCQLG-OXQOHEQNSA-N 0 3 334.419 3.768 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCCCCC1 ZINC000856885106 1136820662 /nfs/dbraw/zinc/82/06/62/1136820662.db2.gz QOLLAGSWIGPXFO-MRXNPFEDSA-N 0 3 331.435 3.727 20 30 EHEDHN Cc1ccccc1COCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000857030786 1136834788 /nfs/dbraw/zinc/83/47/88/1136834788.db2.gz XKOUWULKGRHQCI-OAHLLOKOSA-N 0 3 348.324 3.802 20 30 EHEDHN C#CCCOc1ccc(CN[C@@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858343059 1136959808 /nfs/dbraw/zinc/95/98/08/1136959808.db2.gz WYJBUOUPNZJNSY-OAQYLSRUSA-N 0 3 336.435 3.733 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000116591971 1137005699 /nfs/dbraw/zinc/00/56/99/1137005699.db2.gz XIXLONPNRFDYAM-RHSMWYFYSA-N 0 3 332.419 3.725 20 30 EHEDHN Cc1cccn2c(CN3CCC(c4cccc(C#N)c4)CC3)cnc12 ZINC001136964451 1137157758 /nfs/dbraw/zinc/15/77/58/1137157758.db2.gz RZCLOIJPMARNSA-UHFFFAOYSA-N 0 3 330.435 3.894 20 30 EHEDHN Cc1ccc(C#N)cc1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001143678941 1137188671 /nfs/dbraw/zinc/18/86/71/1137188671.db2.gz BJAXFRGZIHOKSY-NRFANRHFSA-N 0 3 347.462 3.824 20 30 EHEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000119642586 1137204118 /nfs/dbraw/zinc/20/41/18/1137204118.db2.gz YQZJLEJBDJZQBM-HDMKZQKVSA-N 0 3 342.439 3.829 20 30 EHEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000119642379 1137204248 /nfs/dbraw/zinc/20/42/48/1137204248.db2.gz YQZJLEJBDJZQBM-DAYGRLMNSA-N 0 3 342.439 3.829 20 30 EHEDHN CC(C)(C)c1ccc([C@H](O)CNCc2ccc(C#N)cc2F)cc1 ZINC000772920973 1137290049 /nfs/dbraw/zinc/29/00/49/1137290049.db2.gz LIZOTHWXQIWINP-LJQANCHMSA-N 0 3 326.415 3.818 20 30 EHEDHN CCC(=O)NCc1cccc(NC(=N)c2ccc3cc(O)ccc3c2)c1 ZINC001171184247 1137293626 /nfs/dbraw/zinc/29/36/26/1137293626.db2.gz GPXOPQLPKSTCDK-UHFFFAOYSA-N 0 3 347.418 3.609 20 30 EHEDHN N#Cc1ccccc1N1CCC(NCc2ccc(F)c(F)c2F)CC1 ZINC000865695040 1137304887 /nfs/dbraw/zinc/30/48/87/1137304887.db2.gz LPNXZKOHCJPGAV-UHFFFAOYSA-N 0 3 345.368 3.734 20 30 EHEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000865731137 1137307321 /nfs/dbraw/zinc/30/73/21/1137307321.db2.gz DABCKISHXXTWGJ-AWEZNQCLSA-N 0 3 336.391 3.786 20 30 EHEDHN C#C[C@@H](NC1CC(CCNC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC000845975284 1137322876 /nfs/dbraw/zinc/32/28/76/1137322876.db2.gz BUQGSYFQBCYYCK-IUPXNIOVSA-N 0 3 346.446 3.783 20 30 EHEDHN CC[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccccc1[O-] ZINC000866448934 1137355751 /nfs/dbraw/zinc/35/57/51/1137355751.db2.gz OFAVPENHAUOAMD-LJQANCHMSA-N 0 3 335.451 3.974 20 30 EHEDHN C#CCN(Cc1cc2ccccc2n(C)c1=O)[C@H]1CCc2ccccc21 ZINC000846780775 1137365150 /nfs/dbraw/zinc/36/51/50/1137365150.db2.gz TULOTRAUNGWFJM-QFIPXVFZSA-N 0 3 342.442 3.661 20 30 EHEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1ncc(-c2ccccc2)n1C ZINC000866616189 1137369531 /nfs/dbraw/zinc/36/95/31/1137369531.db2.gz LAHIKNRBSNHFOD-MGPUTAFESA-N 0 3 342.446 3.777 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)COC2(C)CCC2)cc1 ZINC000772972666 1137389315 /nfs/dbraw/zinc/38/93/15/1137389315.db2.gz VKHGXWLICSXQJN-QGZVFWFLSA-N 0 3 342.439 3.636 20 30 EHEDHN CCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)[C@H]1CCN(CC)C1 ZINC001146909839 1137396913 /nfs/dbraw/zinc/39/69/13/1137396913.db2.gz FANHYEZGCXOZKX-QFIPXVFZSA-N 0 3 346.474 3.643 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H]1CN(CC2(CC#N)CC2)C[C@H]1c1ccccc1 ZINC001171545078 1137494447 /nfs/dbraw/zinc/49/44/47/1137494447.db2.gz QWTQRLUKPAXIDN-ZWKOTPCHSA-N 0 3 340.467 3.738 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CC2)C[C@H]1C(C)(C)C ZINC001171590942 1137497212 /nfs/dbraw/zinc/49/72/12/1137497212.db2.gz SLNUWNMDRKBIPW-CABCVRRESA-N 0 3 335.492 3.694 20 30 EHEDHN C=CC[C@H]1CCCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001171847772 1137515761 /nfs/dbraw/zinc/51/57/61/1137515761.db2.gz SAVHEKNUJBXVFM-CABCVRRESA-N 0 3 336.426 3.772 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCC(Cc2ccccc2Cl)CC1 ZINC000870980431 1137517098 /nfs/dbraw/zinc/51/70/98/1137517098.db2.gz SPYJHWBBFGXJQJ-SFHVURJKSA-N 0 3 347.890 3.532 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC000870983873 1137517206 /nfs/dbraw/zinc/51/72/06/1137517206.db2.gz YXBVPSPVIJRZEM-SFHVURJKSA-N 0 3 347.890 3.532 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000876618495 1137657188 /nfs/dbraw/zinc/65/71/88/1137657188.db2.gz WWLWSQXFNMUIKR-ROUUACIJSA-N 0 3 328.843 3.973 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000876677931 1137658861 /nfs/dbraw/zinc/65/88/61/1137658861.db2.gz GDHVGEHDAZCUTM-RBUKOAKNSA-N 0 3 340.854 3.783 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000877489041 1137678163 /nfs/dbraw/zinc/67/81/63/1137678163.db2.gz JXFGECTUZSVDPE-HNNXBMFYSA-N 0 3 340.858 3.613 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC000882570050 1137829551 /nfs/dbraw/zinc/82/95/51/1137829551.db2.gz VBXHLGNXRDNZKA-HNNXBMFYSA-N 0 3 342.336 3.543 20 30 EHEDHN Cc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000132001758 1137862082 /nfs/dbraw/zinc/86/20/82/1137862082.db2.gz SJPVYNZLRBQNOI-GFCCVEGCSA-N 0 3 348.189 3.658 20 30 EHEDHN Cc1cncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000132001758 1137862083 /nfs/dbraw/zinc/86/20/83/1137862083.db2.gz SJPVYNZLRBQNOI-GFCCVEGCSA-N 0 3 348.189 3.658 20 30 EHEDHN Cc1cccc2ncc(CN3CCC(c4cccc(C#N)c4)CC3)n21 ZINC001137196708 1137869424 /nfs/dbraw/zinc/86/94/24/1137869424.db2.gz XAYKXRDYKZJQTQ-UHFFFAOYSA-N 0 3 330.435 3.894 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H]2CC[C@H](C)C2)c1C ZINC000429561696 1137885789 /nfs/dbraw/zinc/88/57/89/1137885789.db2.gz SENFHBDTUXGTMR-MAUKXSAKSA-N 0 3 327.472 3.671 20 30 EHEDHN C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000331783298 1137920348 /nfs/dbraw/zinc/92/03/48/1137920348.db2.gz IGFRAFBZAXHGTC-UWJYYQICSA-N 0 3 339.483 3.875 20 30 EHEDHN C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000331783277 1137920414 /nfs/dbraw/zinc/92/04/14/1137920414.db2.gz IGFRAFBZAXHGTC-LAUBAEHRSA-N 0 3 339.483 3.875 20 30 EHEDHN N#Cc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1F ZINC000120475535 1137950128 /nfs/dbraw/zinc/95/01/28/1137950128.db2.gz KIFVAKHZAXCJMP-SFHVURJKSA-N 0 3 340.398 3.584 20 30 EHEDHN N#CC1(C[C@H](O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)CCC1 ZINC000886065716 1138037412 /nfs/dbraw/zinc/03/74/12/1138037412.db2.gz VOBXJHNAGZKBIT-PMACEKPBSA-N 0 3 338.426 3.950 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CCc3cc(C(F)(F)F)ccc3C2)CCC1 ZINC000886300227 1138065634 /nfs/dbraw/zinc/06/56/34/1138065634.db2.gz CNIAAAHYWJUVHW-MRXNPFEDSA-N 0 3 338.373 3.508 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000264410294 1138504723 /nfs/dbraw/zinc/50/47/23/1138504723.db2.gz SWIVEURJKSGANN-UHFFFAOYSA-N 0 3 341.908 3.583 20 30 EHEDHN C[C@H](C1CCCCC1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000338351069 1138847035 /nfs/dbraw/zinc/84/70/35/1138847035.db2.gz RHYWPONWBYORPZ-QGZVFWFLSA-N 0 3 327.472 3.834 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(N3CCCC3)nc2)cc1 ZINC000151040523 1139002035 /nfs/dbraw/zinc/00/20/35/1139002035.db2.gz NFLYMYUNUZGWKR-KRWDZBQOSA-N 0 3 335.451 3.545 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000176321947 1139551406 /nfs/dbraw/zinc/55/14/06/1139551406.db2.gz HYHJMMKJEXJTEP-UHFFFAOYSA-N 0 3 340.423 3.842 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)cc2OCC)CC1 ZINC000177656377 1139632439 /nfs/dbraw/zinc/63/24/39/1139632439.db2.gz BBPDTYIFXKTSHR-UHFFFAOYSA-N 0 3 337.851 3.511 20 30 EHEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000185841277 1140172699 /nfs/dbraw/zinc/17/26/99/1140172699.db2.gz BQBSWOPPEOMBTI-DZKIICNBSA-N 0 3 331.847 3.507 20 30 EHEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000185841254 1140173123 /nfs/dbraw/zinc/17/31/23/1140173123.db2.gz BQBSWOPPEOMBTI-SQWLQELKSA-N 0 3 331.847 3.507 20 30 EHEDHN C#CC[C@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)c1ccccc1 ZINC000271569233 1141399563 /nfs/dbraw/zinc/39/95/63/1141399563.db2.gz VMKCWQHHVMRHIA-AVRDEDQJSA-N 0 3 334.463 3.938 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1c1cccs1 ZINC000021473219 212226290 /nfs/dbraw/zinc/22/62/90/212226290.db2.gz HMYOFPMSIWZJQG-CYBMUJFWSA-N 0 3 331.466 3.847 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000078533159 217069732 /nfs/dbraw/zinc/06/97/32/217069732.db2.gz KKPFYFRLQPEJLD-UHFFFAOYSA-N 0 3 341.377 3.867 20 30 EHEDHN C=CCNCc1cc(Br)c(OCC)c(Br)c1 ZINC000010475009 211176312 /nfs/dbraw/zinc/17/63/12/211176312.db2.gz NEDZEQAMGTZSEO-UHFFFAOYSA-N 0 3 349.066 3.886 20 30 EHEDHN CN(Cc1ccccn1)[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000275601920 564009568 /nfs/dbraw/zinc/00/95/68/564009568.db2.gz IIFSVUIVAARYNK-QGZVFWFLSA-N 0 3 340.496 3.501 20 30 EHEDHN C#CCCC[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823841337 946491604 /nfs/dbraw/zinc/49/16/04/946491604.db2.gz LIUNPQJHKLLXRC-HNNXBMFYSA-N 0 3 331.423 3.598 20 30 EHEDHN C#CCCC[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823841337 946491613 /nfs/dbraw/zinc/49/16/13/946491613.db2.gz LIUNPQJHKLLXRC-HNNXBMFYSA-N 0 3 331.423 3.598 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)Cc1ccsc1 ZINC000823914768 946519005 /nfs/dbraw/zinc/51/90/05/946519005.db2.gz NAWVSSXMSQVFQN-AWEZNQCLSA-N 0 3 339.468 3.547 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)Cc1ccsc1 ZINC000823914768 946519014 /nfs/dbraw/zinc/51/90/14/946519014.db2.gz NAWVSSXMSQVFQN-AWEZNQCLSA-N 0 3 339.468 3.547 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)Cc1ccsc1 ZINC000823914768 946519020 /nfs/dbraw/zinc/51/90/20/946519020.db2.gz NAWVSSXMSQVFQN-AWEZNQCLSA-N 0 3 339.468 3.547 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)Cc1ccsc1 ZINC000823914768 946519031 /nfs/dbraw/zinc/51/90/31/946519031.db2.gz NAWVSSXMSQVFQN-AWEZNQCLSA-N 0 3 339.468 3.547 20 30 EHEDHN N#CCc1ccc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000343724013 1032077840 /nfs/dbraw/zinc/07/78/40/1032077840.db2.gz YKUCWCGCOAEHFW-UHFFFAOYSA-N 0 3 346.430 3.813 20 30 EHEDHN Cn1cc(CN2CC[C@@H](Sc3cccc(Cl)c3)C2)cc1C#N ZINC000430195518 1014790782 /nfs/dbraw/zinc/79/07/82/1014790782.db2.gz JAEDYNCWJCBQSS-QGZVFWFLSA-N 0 3 331.872 3.917 20 30 EHEDHN Cc1nsc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000342822940 1015432156 /nfs/dbraw/zinc/43/21/56/1015432156.db2.gz GGSZCSSAPIRTRH-DYVFJYSZSA-N 0 3 326.469 3.646 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](CC2CC2)C1 ZINC000339676129 1015505672 /nfs/dbraw/zinc/50/56/72/1015505672.db2.gz SRMYNHZXCNTEEB-WBVHZDCISA-N 0 3 343.446 3.583 20 30 EHEDHN COc1cc(NC2=CCN(C)CC2)c(C#N)cc1OCc1ccccc1 ZINC001208930367 1015621959 /nfs/dbraw/zinc/62/19/59/1015621959.db2.gz OFCMYZUMCHJVQO-UHFFFAOYSA-N 0 3 349.434 3.777 20 30 EHEDHN CC(C)N1CCN(c2ccc(N[C@@H](C)c3cccc(C#N)c3)cn2)CC1 ZINC001167710977 1016756992 /nfs/dbraw/zinc/75/69/92/1016756992.db2.gz ZDLVFWXSIMFATJ-KRWDZBQOSA-N 0 3 349.482 3.657 20 30 EHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000248714027 1032379198 /nfs/dbraw/zinc/37/91/98/1032379198.db2.gz BQBSWOPPEOMBTI-IJEWVQPXSA-N 0 3 331.847 3.507 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000185379215 1032387577 /nfs/dbraw/zinc/38/75/77/1032387577.db2.gz MZLZOFURLFNNLW-AWEZNQCLSA-N 0 3 343.858 3.906 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([O-])c1 ZINC000255064263 1017302429 /nfs/dbraw/zinc/30/24/29/1017302429.db2.gz QIBIYWSLSKLIPO-RKBSBGDISA-N 0 3 328.456 3.615 20 30 EHEDHN CC[C@H](CC(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000459998868 1032550542 /nfs/dbraw/zinc/55/05/42/1032550542.db2.gz OHBKEJJZQZUBNP-LJQANCHMSA-N 0 3 329.488 3.521 20 30 EHEDHN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]2CCCC[C@@H]21 ZINC000541112453 1017535764 /nfs/dbraw/zinc/53/57/64/1017535764.db2.gz PXKMLLNHIQNPPF-SRCQZFHVSA-N 0 3 331.847 3.661 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000728711437 1018327609 /nfs/dbraw/zinc/32/76/09/1018327609.db2.gz FBVLXKDZPWBHDR-GJZGRUSLSA-N 0 3 349.434 3.713 20 30 EHEDHN C=CCOc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000471538610 1018632622 /nfs/dbraw/zinc/63/26/22/1018632622.db2.gz JDNBYVSITQNCRQ-OXJNMPFZSA-N 0 3 338.451 3.673 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419356519 1018809020 /nfs/dbraw/zinc/80/90/20/1018809020.db2.gz OJOOBSSTQCEPOC-AUSJPIAWSA-N 0 3 327.472 3.658 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(C(F)(F)F)c1 ZINC000449554468 1032789738 /nfs/dbraw/zinc/78/97/38/1032789738.db2.gz OISHKZCHUKHKGL-YCPHGPKFSA-N 0 3 338.373 3.560 20 30 EHEDHN C=CCOCCN1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000549921614 1019109076 /nfs/dbraw/zinc/10/90/76/1019109076.db2.gz HSAAFFABDQUNKL-KRWDZBQOSA-N 0 3 347.503 3.965 20 30 EHEDHN CC[C@H](NCc1cc(C#N)ccc1Br)[C@H]1CCCCO1 ZINC000594040130 1032862173 /nfs/dbraw/zinc/86/21/73/1032862173.db2.gz DJKHCTXNNCKEIM-JKSUJKDBSA-N 0 3 337.261 3.758 20 30 EHEDHN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCC(F)(F)CC1 ZINC000594045365 1032875503 /nfs/dbraw/zinc/87/55/03/1032875503.db2.gz URSMTXHJMBGSOM-LBPRGKRZSA-N 0 3 346.381 3.912 20 30 EHEDHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cccc(C#N)n1 ZINC000602449121 1032896523 /nfs/dbraw/zinc/89/65/23/1032896523.db2.gz NEACRWVMTROGBN-UHFFFAOYSA-N 0 3 349.413 3.547 20 30 EHEDHN O=C1C=COC2(CCN(Cc3ccccc3N3CCCCC3)CC2)C1 ZINC000897598986 1032903653 /nfs/dbraw/zinc/90/36/53/1032903653.db2.gz KIMICOCJXQAKRN-UHFFFAOYSA-N 0 3 340.467 3.515 20 30 EHEDHN O=C1C=COC2(CCN(Cc3ccc(N4CCCCC4)cc3)CC2)C1 ZINC000897602594 1032931604 /nfs/dbraw/zinc/93/16/04/1032931604.db2.gz RNXOYZNBZLTEGQ-UHFFFAOYSA-N 0 3 340.467 3.515 20 30 EHEDHN C=CCC[C@H](NC[C@@H](O)c1cc(OC)cc(OC)c1)c1ccco1 ZINC000276397264 1021174983 /nfs/dbraw/zinc/17/49/83/1021174983.db2.gz CQBYBQHYAIKMAY-ZWKOTPCHSA-N 0 3 331.412 3.627 20 30 EHEDHN CC[C@H](NCc1cc2ccccc2n(C)c1=O)c1ccc(C#N)cc1 ZINC000426317905 1021238916 /nfs/dbraw/zinc/23/89/16/1021238916.db2.gz OPYBFBNFNOGXHV-IBGZPJMESA-N 0 3 331.419 3.651 20 30 EHEDHN CCC[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C(C)C ZINC000120833807 1021250342 /nfs/dbraw/zinc/25/03/42/1021250342.db2.gz MLCHYPLFIJZHOD-IBGZPJMESA-N 0 3 329.488 3.521 20 30 EHEDHN C=CCC[C@@H](O)CN1CCC(c2ccccc2Br)CC1 ZINC000439257443 1021303052 /nfs/dbraw/zinc/30/30/52/1021303052.db2.gz GKSRZOLEFZNEOB-OAHLLOKOSA-N 0 3 338.289 3.956 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC000602559725 1032972795 /nfs/dbraw/zinc/97/27/95/1032972795.db2.gz PRZBNTDUDWAVEF-PMACEKPBSA-N 0 3 347.462 3.598 20 30 EHEDHN CCc1[nH]c(CN[C@H](CCCC#N)c2ccccc2)cc1C(=O)OC ZINC000894855868 1021439208 /nfs/dbraw/zinc/43/92/08/1021439208.db2.gz UUYWPQGPLYFIFS-LJQANCHMSA-N 0 3 339.439 3.888 20 30 EHEDHN CC(C)(C)[C@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729475478 1021477366 /nfs/dbraw/zinc/47/73/66/1021477366.db2.gz VQHZCBKAFYCDDQ-SUMWQHHRSA-N 0 3 341.480 3.983 20 30 EHEDHN C[C@H](NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000437092917 1021545604 /nfs/dbraw/zinc/54/56/04/1021545604.db2.gz FXCHSQXNARTXSV-GHJWDPDVSA-N 0 3 344.352 3.832 20 30 EHEDHN C[C@@H](CNCc1nc(C#N)cs1)c1cccc(Br)c1 ZINC000897629657 1033025732 /nfs/dbraw/zinc/02/57/32/1033025732.db2.gz XHFXWUYMBQQCST-JTQLQIEISA-N 0 3 336.258 3.671 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441207921 1022066657 /nfs/dbraw/zinc/06/66/57/1022066657.db2.gz NFTPXHYGUZNBEV-SJORKVTESA-N 0 3 337.385 3.805 20 30 EHEDHN C=CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000441265654 1022111884 /nfs/dbraw/zinc/11/18/84/1022111884.db2.gz MIHGAUPKXSMFPH-UHFFFAOYSA-N 0 3 342.395 3.670 20 30 EHEDHN COc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc(OC)c1OC ZINC000266435089 1022159054 /nfs/dbraw/zinc/15/90/54/1022159054.db2.gz FDQJJMFITXKOQV-ZIAGYGMSSA-N 0 3 340.423 3.996 20 30 EHEDHN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1C ZINC000517593628 1022468204 /nfs/dbraw/zinc/46/82/04/1022468204.db2.gz KIOQGLBGSKWWCB-CHWSQXEVSA-N 0 3 331.485 3.557 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000517582042 1022471316 /nfs/dbraw/zinc/47/13/16/1022471316.db2.gz ALWBGJOEZVAEBV-DLBZAZTESA-N 0 3 332.488 3.938 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000517582044 1022472427 /nfs/dbraw/zinc/47/24/27/1022472427.db2.gz ALWBGJOEZVAEBV-IRXDYDNUSA-N 0 3 332.488 3.938 20 30 EHEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000328816636 1022493817 /nfs/dbraw/zinc/49/38/17/1022493817.db2.gz HDHZHNPJNFQCRP-BMGDILEWSA-N 0 3 343.471 3.924 20 30 EHEDHN Cn1cc(CNC(C)(C)c2ccc(Br)cc2)cc1C#N ZINC000232314603 1022562311 /nfs/dbraw/zinc/56/23/11/1022562311.db2.gz HGECTHRHYZSOFZ-UHFFFAOYSA-N 0 3 332.245 3.684 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn([C@H](C)CC)c2C)CC1 ZINC000331143733 1022754983 /nfs/dbraw/zinc/75/49/83/1022754983.db2.gz RSOQDHISELTOTQ-CQSZACIVSA-N 0 3 333.480 3.529 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CC)[C@H](C)c2ccc(F)cc2)CC1 ZINC000518024214 1022927265 /nfs/dbraw/zinc/92/72/65/1022927265.db2.gz YTADKQKASBROPB-OAHLLOKOSA-N 0 3 333.451 3.569 20 30 EHEDHN C[C@]1(NCC(=O)N(CCC#N)c2ccccc2)CCCc2ccccc21 ZINC000341685779 1023005270 /nfs/dbraw/zinc/00/52/70/1023005270.db2.gz AUWMPIGWAYMURO-QFIPXVFZSA-N 0 3 347.462 3.775 20 30 EHEDHN C[C@@H](CC1CCCC1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000510726034 1023034635 /nfs/dbraw/zinc/03/46/35/1023034635.db2.gz SCYZGDFAWXNMFI-KRWDZBQOSA-N 0 3 341.499 3.665 20 30 EHEDHN CC(C)(CCC#N)CN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000507142898 1023147825 /nfs/dbraw/zinc/14/78/25/1023147825.db2.gz KMLJNGOFSJCXCC-UHFFFAOYSA-N 0 3 337.870 3.927 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000341739962 1023224107 /nfs/dbraw/zinc/22/41/07/1023224107.db2.gz CAJYONVJJBISNT-LJQANCHMSA-N 0 3 347.890 3.923 20 30 EHEDHN N#Cc1ccc(CNCc2ccc(OC[C@H]3CCCO3)cc2)cc1F ZINC000449735973 1033131811 /nfs/dbraw/zinc/13/18/11/1033131811.db2.gz TXFMDTGTFJANQD-LJQANCHMSA-N 0 3 340.398 3.545 20 30 EHEDHN Cc1nsc(NC[C@H](c2ccc(C)cc2)N2CCCC2)c1C#N ZINC000341929241 1023714848 /nfs/dbraw/zinc/71/48/48/1023714848.db2.gz NCWUMLFSOLJNPJ-QGZVFWFLSA-N 0 3 326.469 3.881 20 30 EHEDHN COc1ccc(CN(CCc2ccccn2)CC2(CC#N)CC2)cc1 ZINC000602820188 1033206643 /nfs/dbraw/zinc/20/66/43/1033206643.db2.gz HAFXDYKJXKDGTH-UHFFFAOYSA-N 0 3 335.451 3.829 20 30 EHEDHN CC(C)N(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1F ZINC000434764795 1024412279 /nfs/dbraw/zinc/41/22/79/1024412279.db2.gz AUCWZZJTGRZONP-UHFFFAOYSA-N 0 3 339.414 3.937 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ncc(Br)cc1F ZINC000280956813 1024488095 /nfs/dbraw/zinc/48/80/95/1024488095.db2.gz YGZYYBWCPYKANS-HFAKWTLXSA-N 0 3 343.240 3.615 20 30 EHEDHN C#CCCOc1ccc(CN2CCC[C@H](CC(=O)OC(C)C)C2)cc1 ZINC000185584210 1024642453 /nfs/dbraw/zinc/64/24/53/1024642453.db2.gz KZSFAFFWCNCNSI-LJQANCHMSA-N 0 3 343.467 3.642 20 30 EHEDHN C#CCC1(O)CCN(Cc2ccc(-c3ccc(F)cc3C)o2)CC1 ZINC000895675109 1024707246 /nfs/dbraw/zinc/70/72/46/1024707246.db2.gz MNRGLDCDAZBGGI-UHFFFAOYSA-N 0 3 327.399 3.744 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(Cl)cc1 ZINC000514858368 1024812852 /nfs/dbraw/zinc/81/28/52/1024812852.db2.gz HBSQYVASPJTYLS-IBGZPJMESA-N 0 3 345.870 3.940 20 30 EHEDHN N#Cc1cc(CN2CC[C@H](c3ccc4cccnc4n3)C2)ccc1F ZINC000602888177 1033235999 /nfs/dbraw/zinc/23/59/99/1033235999.db2.gz PTLFESYFJPSRGO-INIZCTEOSA-N 0 3 332.382 3.630 20 30 EHEDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909253 1033241135 /nfs/dbraw/zinc/24/11/35/1033241135.db2.gz KSXLEHUTONDSHX-AWEZNQCLSA-N 0 3 336.395 3.802 20 30 EHEDHN Cc1cnc(C2CCN(CCOc3ccc(C#N)cc3)CC2)s1 ZINC000277426655 1025059637 /nfs/dbraw/zinc/05/96/37/1025059637.db2.gz MTBCZNZIPOSZSB-UHFFFAOYSA-N 0 3 327.453 3.582 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(COC(C)C)c2)CC1 ZINC000521588701 1025506263 /nfs/dbraw/zinc/50/62/63/1025506263.db2.gz HTUGLCPJJGJTEB-UHFFFAOYSA-N 0 3 345.487 3.774 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOCC(F)(F)C(F)(F)F ZINC000425534363 1025679316 /nfs/dbraw/zinc/67/93/16/1025679316.db2.gz LVYBNFFXHPPKBF-LLVKDONJSA-N 0 3 336.304 3.765 20 30 EHEDHN CCN(CCC#N)C(=O)CN(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000303804113 1025715845 /nfs/dbraw/zinc/71/58/45/1025715845.db2.gz HIBPLWKCVJJOBH-KRWDZBQOSA-N 0 3 327.472 3.612 20 30 EHEDHN Cc1c(C(=O)N[C@H](C)C2=CCN(C)CC2)cnn1C1CCCCC1 ZINC000329318787 1025746284 /nfs/dbraw/zinc/74/62/84/1025746284.db2.gz IHNCYOMDRQXOEL-CQSZACIVSA-N 0 3 330.476 3.652 20 30 EHEDHN CC(C)c1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)nn1C(C)(C)C ZINC000329343908 1025768153 /nfs/dbraw/zinc/76/81/53/1025768153.db2.gz QJFBNBCJNNASHL-CQSZACIVSA-N 0 3 332.492 3.717 20 30 EHEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000329451380 1025866212 /nfs/dbraw/zinc/86/62/12/1025866212.db2.gz CRCBWHQKFIEZSF-ZIAGYGMSSA-N 0 3 332.444 3.522 20 30 EHEDHN N#CC1(c2ccccn2)CCN(CCCOCc2ccccc2)CC1 ZINC000367064623 1025949199 /nfs/dbraw/zinc/94/91/99/1025949199.db2.gz DWMSXYGHQVJOGQ-UHFFFAOYSA-N 0 3 335.451 3.546 20 30 EHEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000451475505 1025990952 /nfs/dbraw/zinc/99/09/52/1025990952.db2.gz RYVDPRWUMPMGFI-CVEARBPZSA-N 0 3 336.382 3.597 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CC)c1cccc2ccccc21 ZINC000451672114 1026200705 /nfs/dbraw/zinc/20/07/05/1026200705.db2.gz HKFNFMWVMLWVDN-QUCCMNQESA-N 0 3 338.451 3.516 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000523010541 1026365059 /nfs/dbraw/zinc/36/50/59/1026365059.db2.gz JMEAEHQRWWJLOV-XYJFISCASA-N 0 3 330.447 3.593 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](CC2CC2)C1 ZINC000582732856 1027209725 /nfs/dbraw/zinc/20/97/25/1027209725.db2.gz KROMIRSENLDABX-DOTOQJQBSA-N 0 3 332.513 3.773 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCCC[C@H]1c1ccccc1 ZINC000531841855 1027507813 /nfs/dbraw/zinc/50/78/13/1027507813.db2.gz PZQQVVGHKRETLC-MJGOQNOKSA-N 0 3 327.472 3.612 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3ccc(C)nc32)CC1 ZINC000114578509 1027974494 /nfs/dbraw/zinc/97/44/94/1027974494.db2.gz UVBPYWQKDXDDOY-UHFFFAOYSA-N 0 3 338.455 3.705 20 30 EHEDHN C=CC[C@@H]1N(CC(=O)N[C@@H]2CCOc3ccccc32)CCCC1(C)C ZINC000444788835 1028287456 /nfs/dbraw/zinc/28/74/56/1028287456.db2.gz YCZZEJVCKRVZDM-MJGOQNOKSA-N 0 3 342.483 3.693 20 30 EHEDHN CCc1ccccc1NC(=O)C[C@@H](C)NCc1ccc(C#N)s1 ZINC000421346779 1028290660 /nfs/dbraw/zinc/29/06/60/1028290660.db2.gz AOVWAAQEETWKRR-CYBMUJFWSA-N 0 3 327.453 3.689 20 30 EHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429591655 1028588985 /nfs/dbraw/zinc/58/89/85/1028588985.db2.gz OPHQOWUZSYWOMM-OAGGEKHMSA-N 0 3 345.512 3.997 20 30 EHEDHN CC(C)Sc1c(Cl)cccc1NC(=O)[C@@H](N)CCCC#N ZINC000424079133 1028778597 /nfs/dbraw/zinc/77/85/97/1028778597.db2.gz FMNKBCJOGBXOCF-LBPRGKRZSA-N 0 3 325.865 3.800 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000424147969 1028833517 /nfs/dbraw/zinc/83/35/17/1028833517.db2.gz ZGGRMKUOMOQUPM-QGZVFWFLSA-N 0 3 333.863 3.632 20 30 EHEDHN N#C[C@H]1CC[C@@H](NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000424209203 1028872582 /nfs/dbraw/zinc/87/25/82/1028872582.db2.gz ZITWAKCAQWAEBQ-WMLDXEAASA-N 0 3 348.372 3.732 20 30 EHEDHN N#C[C@H]1CC[C@@H](NCc2cccc(Br)c2OC(F)F)C1 ZINC000424193911 1028879499 /nfs/dbraw/zinc/87/94/99/1028879499.db2.gz KYKUWTYOAVDEKQ-GXSJLCMTSA-N 0 3 345.187 3.832 20 30 EHEDHN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424194797 1028881418 /nfs/dbraw/zinc/88/14/18/1028881418.db2.gz SHLUOEOEJUHSGP-QMTHXVAHSA-N 0 3 328.243 3.534 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000250214100 1029045241 /nfs/dbraw/zinc/04/52/41/1029045241.db2.gz ROHCJZFAHXWLFP-AZUAARDMSA-N 0 3 347.462 3.811 20 30 EHEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C(C)C)C2CCC2)cc1 ZINC000077358753 1029104095 /nfs/dbraw/zinc/10/40/95/1029104095.db2.gz OBFMGKJFIFFURC-UHFFFAOYSA-N 0 3 343.471 3.595 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC[C@H](c3ccccc3)C2(C)C)CC1 ZINC000422170507 1029106798 /nfs/dbraw/zinc/10/67/98/1029106798.db2.gz VUBFBSDJHDAYJD-LJQANCHMSA-N 0 3 341.499 3.615 20 30 EHEDHN N#CCc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000078248013 1029244147 /nfs/dbraw/zinc/24/41/47/1029244147.db2.gz QAXAJDARVXYXHC-HXUWFJFHSA-N 0 3 348.450 3.711 20 30 EHEDHN N#Cc1ccccc1OCCN1CCC(OCC2CCCCC2)CC1 ZINC000524755562 1029486315 /nfs/dbraw/zinc/48/63/15/1029486315.db2.gz PNMPHOLWOMYTTJ-UHFFFAOYSA-N 0 3 342.483 3.998 20 30 EHEDHN C=CC[C@@H](C)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272517501 1029815022 /nfs/dbraw/zinc/81/50/22/1029815022.db2.gz XWUCDWVARMEHMS-AUUYWEPGSA-N 0 3 347.455 3.873 20 30 EHEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000481765122 1029929764 /nfs/dbraw/zinc/92/97/64/1029929764.db2.gz IXMPCDARWROILF-DOTOQJQBSA-N 0 3 338.398 3.843 20 30 EHEDHN C=CCC[C@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000458577425 1030057270 /nfs/dbraw/zinc/05/72/70/1030057270.db2.gz ORVRUICHIHGFRK-PXNSSMCTSA-N 0 3 341.499 3.820 20 30 EHEDHN CCC[C@@]1(COC)CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000447387760 1030177498 /nfs/dbraw/zinc/17/74/98/1030177498.db2.gz UUODKYISHXRDSB-SFHVURJKSA-N 0 3 338.398 3.941 20 30 EHEDHN CC[C@H](N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447587807 1030320806 /nfs/dbraw/zinc/32/08/06/1030320806.db2.gz RPVFRXXQGCAYTA-XPGWFJOJSA-N 0 3 333.435 3.793 20 30 EHEDHN C[C@H](C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)N1CCCCCC1 ZINC000075535735 1030436508 /nfs/dbraw/zinc/43/65/08/1030436508.db2.gz BWBSCGYGVZXDIO-HOJAQTOUSA-N 0 3 339.483 3.549 20 30 EHEDHN C[C@@H]1[C@@H](C)N(Cc2cccc(OCc3cccc(C#N)c3)c2)CCN1C ZINC000482509368 1030490468 /nfs/dbraw/zinc/49/04/68/1030490468.db2.gz NJXWSRLKWMRJGX-QZTJIDSGSA-N 0 3 349.478 3.662 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(OC3CCCC3)CC2)cc1 ZINC000092758720 1030508965 /nfs/dbraw/zinc/50/89/65/1030508965.db2.gz ZDCJTAHECXTIKG-INIZCTEOSA-N 0 3 328.456 3.901 20 30 EHEDHN C[C@H](O)C[C@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000447841500 1030531107 /nfs/dbraw/zinc/53/11/07/1030531107.db2.gz YAQLJEFNEDAXIL-GOEBONIOSA-N 0 3 341.373 3.562 20 30 EHEDHN CN([C@H]1CCc2ccccc21)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447856579 1030547980 /nfs/dbraw/zinc/54/79/80/1030547980.db2.gz RUZDZKASVRNHNU-SFTDATJTSA-N 0 3 345.446 3.673 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000171563533 1030796140 /nfs/dbraw/zinc/79/61/40/1030796140.db2.gz WOYRQKKWFJRRNU-TYCQWZJGSA-N 0 3 336.435 3.987 20 30 EHEDHN CCC(CC)Nc1ccncc1NC(=O)c1cc(C#N)ccc1Cl ZINC000565494082 1031128631 /nfs/dbraw/zinc/12/86/31/1031128631.db2.gz YWTWYHMANFABDQ-UHFFFAOYSA-N 0 3 342.830 3.881 20 30 EHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(Cl)cc1Br ZINC000527703734 1031138566 /nfs/dbraw/zinc/13/85/66/1031138566.db2.gz RZMMBAZJOQJQOV-IINYFYTJSA-N 0 3 345.668 3.568 20 30 EHEDHN C=CCN1CCC(Nc2ncc(F)c(Oc3ccccc3F)n2)CC1 ZINC000527884316 1031373430 /nfs/dbraw/zinc/37/34/30/1031373430.db2.gz YVJKAGHZMGUJJV-UHFFFAOYSA-N 0 3 346.381 3.609 20 30 EHEDHN C[C@@H]1[C@@H](NC(=O)Nc2cccc(CC#N)c2)CCN1Cc1ccccc1 ZINC000455904028 1031755154 /nfs/dbraw/zinc/75/51/54/1031755154.db2.gz JFPRWGKNMFVVEB-UZLBHIALSA-N 0 3 348.450 3.537 20 30 EHEDHN C=CCN(CC(=O)N[C@@H](C)c1ccccc1OC)CC1CCCCC1 ZINC000484632120 1031828054 /nfs/dbraw/zinc/82/80/54/1031828054.db2.gz XKVJWHLTQXMSIG-KRWDZBQOSA-N 0 3 344.499 3.941 20 30 EHEDHN C=CCN(CC(=O)N[C@@H]1CCOc2ccccc21)CC1CCCCC1 ZINC000484671991 1031858791 /nfs/dbraw/zinc/85/87/91/1031858791.db2.gz UKBUBLWISFNIDY-LJQANCHMSA-N 0 3 342.483 3.695 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000594432089 1033368896 /nfs/dbraw/zinc/36/88/96/1033368896.db2.gz XJGZPRHVWFZTOP-WOJBJXKFSA-N 0 3 335.451 3.915 20 30 EHEDHN CCSc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594432626 1033369250 /nfs/dbraw/zinc/36/92/50/1033369250.db2.gz AAQXZIZPRHDTJU-LBPRGKRZSA-N 0 3 325.865 3.802 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594432594 1033369812 /nfs/dbraw/zinc/36/98/12/1033369812.db2.gz DNANUXJFEKIZHY-ZQIUZPCESA-N 0 3 335.879 3.702 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000594434625 1033370443 /nfs/dbraw/zinc/37/04/43/1033370443.db2.gz QKZXKKAEULWQJL-IAGOWNOFSA-N 0 3 333.863 3.709 20 30 EHEDHN CCN(C(=O)[C@H](N)CCCCC#N)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000594433311 1033370714 /nfs/dbraw/zinc/37/07/14/1033370714.db2.gz NNXMCOVPZVHCRK-MOPGFXCFSA-N 0 3 347.478 3.653 20 30 EHEDHN CC(C)Cn1ccc2cc(NC(=O)[C@@H](N)CCCCC#N)ccc21 ZINC000594438685 1033375624 /nfs/dbraw/zinc/37/56/24/1033375624.db2.gz PUATUZJITWBJGV-KRWDZBQOSA-N 0 3 326.444 3.647 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000594446654 1033378660 /nfs/dbraw/zinc/37/86/60/1033378660.db2.gz QUIZQRKXNKZNJT-LJQANCHMSA-N 0 3 349.434 3.638 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1OCc1ccccc1 ZINC000594451667 1033381388 /nfs/dbraw/zinc/38/13/88/1033381388.db2.gz ADUPXJQXINCEDE-KRWDZBQOSA-N 0 3 337.423 3.615 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000594425524 1033387892 /nfs/dbraw/zinc/38/78/92/1033387892.db2.gz KMVGVXNEULYEOC-ZDUSSCGKSA-N 0 3 348.859 3.813 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000594424439 1033389492 /nfs/dbraw/zinc/38/94/92/1033389492.db2.gz DPEZCDHWBHQFTL-NRFANRHFSA-N 0 3 349.478 3.736 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000598734187 1033424753 /nfs/dbraw/zinc/42/47/53/1033424753.db2.gz GTPFWOLACJQVOU-HOTGVXAUSA-N 0 3 331.460 3.689 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]2C(C)C)c1 ZINC000063618447 1033520655 /nfs/dbraw/zinc/52/06/55/1033520655.db2.gz UXXGQXRLGFFHSJ-IBGZPJMESA-N 0 3 327.472 3.671 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000594951183 1033592813 /nfs/dbraw/zinc/59/28/13/1033592813.db2.gz SOBIDCBDYYAERP-UNMCSNQZSA-N 0 3 348.446 3.893 20 30 EHEDHN CCOC(=O)c1[nH]c(C)c(CN[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000598955114 1033608848 /nfs/dbraw/zinc/60/88/48/1033608848.db2.gz GEDPNBTVNXTWQE-ZDUSSCGKSA-N 0 3 325.412 3.531 20 30 EHEDHN CCOc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000594982340 1033619690 /nfs/dbraw/zinc/61/96/90/1033619690.db2.gz FAOXJJSQVGNSBC-UHFFFAOYSA-N 0 3 336.435 3.752 20 30 EHEDHN CCOC(=O)c1[nH]c(C)c(CNCc2ccc(C#N)c(Cl)c2)c1C ZINC000598979815 1033628621 /nfs/dbraw/zinc/62/86/21/1033628621.db2.gz PLRPCZZWYOPVGH-UHFFFAOYSA-N 0 3 345.830 3.623 20 30 EHEDHN N#CC1(CNC2CCN(c3ccc(F)cc3F)CC2)CCCCC1 ZINC000595091471 1033699246 /nfs/dbraw/zinc/69/92/46/1033699246.db2.gz RBAOCOXNZYDBFV-UHFFFAOYSA-N 0 3 333.426 3.997 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc3c2OC(C)(C)CC3)CC1 ZINC000529295500 1033756248 /nfs/dbraw/zinc/75/62/48/1033756248.db2.gz CQFSLSTUHLXMFZ-UHFFFAOYSA-N 0 3 343.471 3.562 20 30 EHEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1Cl ZINC000593003126 1033795775 /nfs/dbraw/zinc/79/57/75/1033795775.db2.gz STNAPWSEZYKQTB-RYUDHWBXSA-N 0 3 346.736 3.898 20 30 EHEDHN COc1ccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1C#N ZINC000174308822 1033901316 /nfs/dbraw/zinc/90/13/16/1033901316.db2.gz AETUKBQUINCWGG-OAHLLOKOSA-N 0 3 349.434 3.544 20 30 EHEDHN CC[C@H](C)N(CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000595597876 1033913678 /nfs/dbraw/zinc/91/36/78/1033913678.db2.gz BWECGRNZBSAQCA-GJZGRUSLSA-N 0 3 333.501 3.997 20 30 EHEDHN Cc1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1C#N ZINC000599435712 1033937112 /nfs/dbraw/zinc/93/71/12/1033937112.db2.gz ZTWIMNTZVYISRJ-SFHVURJKSA-N 0 3 326.465 3.922 20 30 EHEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000595662264 1033940641 /nfs/dbraw/zinc/94/06/41/1033940641.db2.gz GTMPITGTKKHPRK-MSOLQXFVSA-N 0 3 342.487 3.594 20 30 EHEDHN COc1ccc([C@@H]2CCN(Cc3ccc(C#N)cc3OC)C2)cc1F ZINC000599680623 1034109937 /nfs/dbraw/zinc/10/99/37/1034109937.db2.gz VCTVZEAWHGEJRL-MRXNPFEDSA-N 0 3 340.398 3.704 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000171563385 1034463992 /nfs/dbraw/zinc/46/39/92/1034463992.db2.gz UNYKYTJGKXQGNL-KBPBESRZSA-N 0 3 325.368 3.736 20 30 EHEDHN COCCCN(Cc1ccncc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130533 1034551736 /nfs/dbraw/zinc/55/17/36/1034551736.db2.gz SMSSLUJBJLMGNO-UHFFFAOYSA-N 0 3 335.451 3.675 20 30 EHEDHN Cc1cccc(-c2n[nH]cc2CNCc2ccc(OCC#N)cc2)c1 ZINC000171769088 1034623057 /nfs/dbraw/zinc/62/30/57/1034623057.db2.gz RGVIVEXCCZHZKQ-UHFFFAOYSA-N 0 3 332.407 3.577 20 30 EHEDHN CCN(C(=O)c1ccc(C#N)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000364479940 1034658733 /nfs/dbraw/zinc/65/87/33/1034658733.db2.gz CXDHZNRQMXBLNO-UWJYYQICSA-N 0 3 347.462 3.856 20 30 EHEDHN CC(C)(CO)[C@H](CNCc1cccc(F)c1C#N)c1ccccc1 ZINC000602011875 1034857920 /nfs/dbraw/zinc/85/79/20/1034857920.db2.gz NOXOJOMSLOZWFN-GOSISDBHSA-N 0 3 326.415 3.589 20 30 EHEDHN CC1(C)CO[C@@H](CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000892493914 1034898089 /nfs/dbraw/zinc/89/80/89/1034898089.db2.gz VIULFQVKGFJJIU-LSDHHAIUSA-N 0 3 348.830 3.583 20 30 EHEDHN N#Cc1ccc(Br)c(CN2CC[C@H](C3CCOCC3)C2)c1 ZINC000365191423 1034955618 /nfs/dbraw/zinc/95/56/18/1034955618.db2.gz RSILEUGJQDPCCT-HNNXBMFYSA-N 0 3 349.272 3.569 20 30 EHEDHN CC(C)[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(C(C)(C)C)cc1 ZINC000548939032 1035056432 /nfs/dbraw/zinc/05/64/32/1035056432.db2.gz VEXMKWZWSHTVRE-LJQANCHMSA-N 0 3 341.499 3.833 20 30 EHEDHN CC(C)N1CC[C@@H](N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1=O ZINC000543861359 1035414807 /nfs/dbraw/zinc/41/48/07/1035414807.db2.gz KLMFRFIBGAPSJK-IIBYNOLFSA-N 0 3 347.462 3.885 20 30 EHEDHN CN(CCCN(C)c1nc(C(C)(C)C)ccc1C#N)Cc1ccco1 ZINC000588083433 1035707191 /nfs/dbraw/zinc/70/71/91/1035707191.db2.gz YVOPYJDPVHAODD-UHFFFAOYSA-N 0 3 340.471 3.802 20 30 EHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457101254 1035740253 /nfs/dbraw/zinc/74/02/53/1035740253.db2.gz XRORSWSEZNAJGE-OAHLLOKOSA-N 0 3 341.480 3.636 20 30 EHEDHN N#CC(C(=O)C=Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129630928 1035809515 /nfs/dbraw/zinc/80/95/15/1035809515.db2.gz SMZXDHJRTRKCGP-FUEXJSSKSA-N 0 3 349.173 3.947 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc([C@@H]3CCCOC3)cc2)n1 ZINC000540947056 1035847978 /nfs/dbraw/zinc/84/79/78/1035847978.db2.gz OLQBAGRUPYSNHW-HZPDHXFCSA-N 0 3 326.421 3.836 20 30 EHEDHN COc1ccc2c(c1)CC[C@H](C(=O)C(C#N)c1nc3ccccc3o1)C2 ZINC000892553677 1036017865 /nfs/dbraw/zinc/01/78/65/1036017865.db2.gz RUALPXNAUOCFJJ-DOTOQJQBSA-N 0 3 346.386 3.818 20 30 EHEDHN Cc1ccccc1[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)C1CC1 ZINC000272067669 1036071158 /nfs/dbraw/zinc/07/11/58/1036071158.db2.gz TXTVZZXNWILIRN-QRWLVFNGSA-N 0 3 333.435 3.935 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CC(C(C)(C)C)C1 ZINC000457504261 1036207624 /nfs/dbraw/zinc/20/76/24/1036207624.db2.gz SBQMLKPFHQOPAZ-UHFFFAOYSA-N 0 3 341.499 3.521 20 30 EHEDHN COc1ccc(CNCc2ccccc2-n2nc(C)cc2C)cc1C#N ZINC000152281960 1036307906 /nfs/dbraw/zinc/30/79/06/1036307906.db2.gz ZYSQQDDRQVDPHG-UHFFFAOYSA-N 0 3 346.434 3.659 20 30 EHEDHN C=CCN(CCOC)Cc1ccc(Br)c2cccnc12 ZINC000191761244 1036427478 /nfs/dbraw/zinc/42/74/78/1036427478.db2.gz MEXYYNKOAHXKIW-UHFFFAOYSA-N 0 3 335.245 3.632 20 30 EHEDHN C[C@@H](NC1(C2CC2)CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541595849 1036480991 /nfs/dbraw/zinc/48/09/91/1036480991.db2.gz ZZSZNASIXMUJQS-GFCCVEGCSA-N 0 3 343.496 3.748 20 30 EHEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000152382993 1036489114 /nfs/dbraw/zinc/48/91/14/1036489114.db2.gz CHZGSKNIWTVLAV-ZQIUZPCESA-N 0 3 330.428 3.663 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464758894 1036740956 /nfs/dbraw/zinc/74/09/56/1036740956.db2.gz RSCLBOJVEXSYNG-QZTJIDSGSA-N 0 3 344.524 3.690 20 30 EHEDHN C[C@@H](CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccc(Cl)c1 ZINC000428787228 1036795802 /nfs/dbraw/zinc/79/58/02/1036795802.db2.gz JLFQRTHZVOJYAJ-KBXCAEBGSA-N 0 3 341.842 3.863 20 30 EHEDHN C=CCC1(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CCCCC1 ZINC000659044273 1036967037 /nfs/dbraw/zinc/96/70/37/1036967037.db2.gz QEZIXDGZVKJZAI-GOSISDBHSA-N 0 3 343.471 3.748 20 30 EHEDHN COc1ccc(-c2nc(CN[C@H]3CC[C@@H](CC#N)C3)cs2)cc1 ZINC000590656424 1036993487 /nfs/dbraw/zinc/99/34/87/1036993487.db2.gz DXQQZVMIPRUMMK-ZFWWWQNUSA-N 0 3 327.453 3.991 20 30 EHEDHN N#Cc1cc(CN[C@H](c2ccccc2)C2(CO)CCCCC2)ccn1 ZINC000591051559 1037199628 /nfs/dbraw/zinc/19/96/28/1037199628.db2.gz UERBBPDMLXMIOV-HXUWFJFHSA-N 0 3 335.451 3.727 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000610969962 1037373690 /nfs/dbraw/zinc/37/36/90/1037373690.db2.gz CHHMUIICNRZFGL-OAQYLSRUSA-N 0 3 347.462 3.824 20 30 EHEDHN CCCCc1ccc2nc(NC(=O)[C@H](N)CCCC#N)sc2c1 ZINC000591592716 1037535589 /nfs/dbraw/zinc/53/55/89/1037535589.db2.gz WOIVDIOWEYXUBA-CYBMUJFWSA-N 0 3 330.457 3.599 20 30 EHEDHN COCCCOc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271920672 1037775546 /nfs/dbraw/zinc/77/55/46/1037775546.db2.gz DPENHWGOMNGGEJ-HNNXBMFYSA-N 0 3 342.414 3.963 20 30 EHEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccccc1OC(F)F ZINC000540346488 1037850864 /nfs/dbraw/zinc/85/08/64/1037850864.db2.gz DIZACQNCUHMPGI-CYBMUJFWSA-N 0 3 332.350 3.889 20 30 EHEDHN N#Cc1cc(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)ccc1F ZINC000592166139 1037909581 /nfs/dbraw/zinc/90/95/81/1037909581.db2.gz GXOQCCVKLRQLMG-RTWAWAEBSA-N 0 3 338.426 3.655 20 30 EHEDHN CC[C@H](NCC(=O)NCc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000341302387 1037912407 /nfs/dbraw/zinc/91/24/07/1037912407.db2.gz REBMYFMXBJLUOL-SFHVURJKSA-N 0 3 341.842 3.569 20 30 EHEDHN N#Cc1ccc(CNCC[C@@H]2CSc3ccccc3O2)c(F)c1 ZINC000592373243 1037921264 /nfs/dbraw/zinc/92/12/64/1037921264.db2.gz UJNVCLVFPHLQKN-OAHLLOKOSA-N 0 3 328.412 3.730 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](CC1CCCC1)c1ccccc1 ZINC000540433579 1037954578 /nfs/dbraw/zinc/95/45/78/1037954578.db2.gz WJCJCCAVJHFSOZ-CTNGQTDRSA-N 0 3 341.499 3.952 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2cccc(C)c2C)CC1 ZINC000173196124 1037971413 /nfs/dbraw/zinc/97/14/13/1037971413.db2.gz OGJZYBXEAGHQMX-FQEVSTJZSA-N 0 3 341.499 3.800 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000540567580 1038084455 /nfs/dbraw/zinc/08/44/55/1038084455.db2.gz LRCCPACMPRHUOY-INIZCTEOSA-N 0 3 335.467 3.644 20 30 EHEDHN CCN1CCCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000539184045 1038721907 /nfs/dbraw/zinc/72/19/07/1038721907.db2.gz UJPKUTPYGBEETR-UHFFFAOYSA-N 0 3 347.462 3.646 20 30 EHEDHN Cc1ccccc1[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485257684 1038821996 /nfs/dbraw/zinc/82/19/96/1038821996.db2.gz GJRXDYBOIPPPDD-JXFKEZNVSA-N 0 3 333.435 3.713 20 30 EHEDHN C[C@@H](NC[C@@](C)(CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000477859247 1038967676 /nfs/dbraw/zinc/96/76/76/1038967676.db2.gz IPGMYUJFLWAODZ-QRWLVFNGSA-N 0 3 326.415 3.589 20 30 EHEDHN C=C1CCN(Cc2cc(CN3CCC(=C)CC3)cc(OC)c2)CC1 ZINC000432826375 1039471790 /nfs/dbraw/zinc/47/17/90/1039471790.db2.gz YSHCZWYEXOLNDI-UHFFFAOYSA-N 0 3 326.484 3.999 20 30 EHEDHN Cc1ccc(C)c(OC[C@@H](O)CN[C@H](CCC#N)c2ccccc2)c1 ZINC000553054898 1039737708 /nfs/dbraw/zinc/73/77/08/1039737708.db2.gz WTWJNYOOFNWTAZ-VQTJNVASSA-N 0 3 338.451 3.678 20 30 EHEDHN CCc1ccc([C@H](C#N)NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000489960928 1040261306 /nfs/dbraw/zinc/26/13/06/1040261306.db2.gz ICFHWEBLEGNKLY-NRFANRHFSA-N 0 3 347.462 3.839 20 30 EHEDHN CC(C)C[C@@H](C)N(C)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433012399 1040448169 /nfs/dbraw/zinc/44/81/69/1040448169.db2.gz SHVNWSFNGDRNHV-IEBWSBKVSA-N 0 3 329.488 3.904 20 30 EHEDHN C[C@@H]1CCC[C@@H](C)N1C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433021346 1040469816 /nfs/dbraw/zinc/46/98/16/1040469816.db2.gz QOCXPLLSRUHRFT-ZHALLVOQSA-N 0 3 327.472 3.801 20 30 EHEDHN C[C@@H](Cc1ccc(Br)c(F)c1)NCC1(C#N)CCC1 ZINC000418144676 1040657833 /nfs/dbraw/zinc/65/78/33/1040657833.db2.gz UNZRVNATRGRQGN-NSHDSACASA-N 0 3 325.225 3.803 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000067166516 1040756940 /nfs/dbraw/zinc/75/69/40/1040756940.db2.gz RCQUSJXRCOXTRT-FQEVSTJZSA-N 0 3 342.458 3.518 20 30 EHEDHN CC(C)[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000015057092 1040948434 /nfs/dbraw/zinc/94/84/34/1040948434.db2.gz JWJMGBOHGAEIGM-IBGZPJMESA-N 0 3 345.462 3.797 20 30 EHEDHN N#CC[C@@H]1CC[C@H](N[C@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000419261919 1040977128 /nfs/dbraw/zinc/97/71/28/1040977128.db2.gz RIGCRCZIXFPSTO-YYWHXJBOSA-N 0 3 347.462 3.716 20 30 EHEDHN C#CCCCCCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000760656597 1041130731 /nfs/dbraw/zinc/13/07/31/1041130731.db2.gz YGSQYXMQWPKAMO-HXUWFJFHSA-N 0 3 326.484 3.693 20 30 EHEDHN Cc1cc(C(C#N)C(=O)c2csc(C(F)(F)F)c2)nc(C)n1 ZINC000626292959 1041193533 /nfs/dbraw/zinc/19/35/33/1041193533.db2.gz KPKSBBABRKTDEY-SNVBAGLBSA-N 0 3 325.315 3.664 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000432277073 1042461251 /nfs/dbraw/zinc/46/12/51/1042461251.db2.gz MHZLDHDTVDLMCN-LJQANCHMSA-N 0 3 348.450 3.653 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000662090326 1042511385 /nfs/dbraw/zinc/51/13/85/1042511385.db2.gz MUNCULTZYHABKS-OLMNPRSZSA-N 0 3 336.439 3.587 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000663451760 1042871623 /nfs/dbraw/zinc/87/16/23/1042871623.db2.gz USTNOCAASFEFAC-BBWFWOEESA-N 0 3 345.512 3.778 20 30 EHEDHN Cc1cc([C@H](NCc2cnc3ccc(C#N)cn23)C2CC2)ccc1F ZINC000585766813 1043029166 /nfs/dbraw/zinc/02/91/66/1043029166.db2.gz QQYPAGJNFUFFLZ-HXUWFJFHSA-N 0 3 334.398 3.894 20 30 EHEDHN CCN(CCC#N)C(=O)CN1CCCCC[C@H]1c1cccc(C)c1 ZINC000344493603 1044069383 /nfs/dbraw/zinc/06/93/83/1044069383.db2.gz HZELJAQIWKPZEO-IBGZPJMESA-N 0 3 327.472 3.674 20 30 EHEDHN N#Cc1ccc(CNCCc2nc(-c3ccncc3)cs2)c(F)c1 ZINC000344559108 1044129546 /nfs/dbraw/zinc/12/95/46/1044129546.db2.gz ZGIGDIBXPVSYSQ-UHFFFAOYSA-N 0 3 338.411 3.548 20 30 EHEDHN Cc1csc(C(C#N)C(=O)CSc2nc3cc(C)ccc3o2)n1 ZINC000072626536 1126811510 /nfs/dbraw/zinc/81/15/10/1126811510.db2.gz HDJPGXJIKACZSK-LLVKDONJSA-N 0 3 343.433 3.870 20 30 EHEDHN N#CC(C(=O)C=Cc1ccccc1Cl)c1nnc2n1CCCCC2 ZINC000072678694 1126847997 /nfs/dbraw/zinc/84/79/97/1126847997.db2.gz ZWNWNRSMDHTYCF-HBWSCVEGSA-N 0 3 340.814 3.548 20 30 EHEDHN Cc1cnc([C@H](NCCCOc2cccc(C#N)c2)C2CC2)s1 ZINC000185306922 1126860633 /nfs/dbraw/zinc/86/06/33/1126860633.db2.gz QTAWTYZLACPLKL-QGZVFWFLSA-N 0 3 327.453 3.833 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000181061686 1127265469 /nfs/dbraw/zinc/26/54/69/1127265469.db2.gz NBQXFIVYFLWAQU-RDTXWAMCSA-N 0 3 333.451 3.511 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](CC)c1c(C)noc1C ZINC000182416912 1127328724 /nfs/dbraw/zinc/32/87/24/1127328724.db2.gz AJRFQEKVLULHJC-ROUUACIJSA-N 0 3 344.455 3.501 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000765015916 1127565859 /nfs/dbraw/zinc/56/58/59/1127565859.db2.gz RXUYOJJQJZACCU-MRXNPFEDSA-N 0 3 346.434 3.722 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000172352726 1127908422 /nfs/dbraw/zinc/90/84/22/1127908422.db2.gz XACWMWXIHKMOMN-HNNXBMFYSA-N 0 3 349.906 3.563 20 30 EHEDHN N#Cc1ccc2nc(NC[C@@H](c3ccco3)N3CCCC3)ccc2c1 ZINC000301796555 1128605919 /nfs/dbraw/zinc/60/59/19/1128605919.db2.gz AIBSREAJONTIPN-SFHVURJKSA-N 0 3 332.407 3.948 20 30 EHEDHN CC[C@H](C/N=C\c1c(O)cccc1OC)N1CCc2ccccc2C1 ZINC000914701904 1120955818 /nfs/dbraw/zinc/95/58/18/1120955818.db2.gz RCHGNPXLVYNZAU-QWQBBLJPSA-N 0 3 338.451 3.657 20 30 EHEDHN C[C@@H](NCCCCNC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000495205010 1120986908 /nfs/dbraw/zinc/98/69/08/1120986908.db2.gz CRXUEROFDSCOLQ-CYBMUJFWSA-N 0 3 335.423 3.653 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000171637095 1121060232 /nfs/dbraw/zinc/06/02/32/1121060232.db2.gz ADYUUUCSQUWJSQ-UHFFFAOYSA-N 0 3 345.340 3.616 20 30 EHEDHN CC(C)c1cccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000762069408 1121089556 /nfs/dbraw/zinc/08/95/56/1121089556.db2.gz QVHJVGOMOUHGDP-LBPRGKRZSA-N 0 3 341.798 3.820 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(Cl)s2)cc1 ZINC000193447055 1121302030 /nfs/dbraw/zinc/30/20/30/1121302030.db2.gz FQUYPSQMGGWBBZ-LBPRGKRZSA-N 0 3 332.812 3.925 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495782878 1121425448 /nfs/dbraw/zinc/42/54/48/1121425448.db2.gz ACCOBWOFHCZAOL-MGPUTAFESA-N 0 3 343.471 3.856 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495782879 1121425742 /nfs/dbraw/zinc/42/57/42/1121425742.db2.gz ACCOBWOFHCZAOL-QRWLVFNGSA-N 0 3 343.471 3.856 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000171738531 1121663707 /nfs/dbraw/zinc/66/37/07/1121663707.db2.gz KUWFOTCKMQREIO-UHFFFAOYSA-N 0 3 341.427 3.773 20 30 EHEDHN CCCCCCCC(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000763138430 1121724522 /nfs/dbraw/zinc/72/45/22/1121724522.db2.gz KNLIUSRZTZWAII-UHFFFAOYSA-N 0 3 332.488 3.942 20 30 EHEDHN N#Cc1ccc(Br)c(CNCCC[C@@H]2CCCCO2)c1 ZINC000922000799 1129013776 /nfs/dbraw/zinc/01/37/76/1129013776.db2.gz ROYMUJIGRXWRRY-HNNXBMFYSA-N 0 3 337.261 3.760 20 30 EHEDHN C[C@@H](C/N=C/c1cc(Br)ccc1[O-])[NH+]1CCCCCC1 ZINC000915978849 1122004208 /nfs/dbraw/zinc/00/42/08/1122004208.db2.gz BABCWSXWNCVPIR-HTMJNSLASA-N 0 3 339.277 3.838 20 30 EHEDHN CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000496376880 1122065266 /nfs/dbraw/zinc/06/52/66/1122065266.db2.gz JNIYYWJMOLZPIB-CQSZACIVSA-N 0 3 349.500 3.747 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1ccccc1 ZINC000916622826 1122220391 /nfs/dbraw/zinc/22/03/91/1122220391.db2.gz NDRCDHMBZPILPZ-HNNXBMFYSA-N 0 3 335.432 3.605 20 30 EHEDHN N#CC(C(=O)C1=Cc2ccccc2OC1)c1ccc2ccccc2n1 ZINC000916849705 1122361008 /nfs/dbraw/zinc/36/10/08/1122361008.db2.gz YBVKXIGNYQSQFU-QGZVFWFLSA-N 0 3 326.355 3.887 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)CCSc1ccc(C)c(C)c1 ZINC000916877467 1122378155 /nfs/dbraw/zinc/37/81/55/1122378155.db2.gz FTGZMEJDLRUGBJ-KRWDZBQOSA-N 0 3 346.496 3.801 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC2CCCC2)cc1 ZINC000916947921 1122409181 /nfs/dbraw/zinc/40/91/81/1122409181.db2.gz CEGXCNCUAYZMAM-KDOFPFPSSA-N 0 3 342.439 3.807 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccccc2COc2ccccc2)CC1 ZINC000066921522 1122490784 /nfs/dbraw/zinc/49/07/84/1122490784.db2.gz FUVCRWBZVYHJNB-UHFFFAOYSA-N 0 3 348.446 3.549 20 30 EHEDHN CN1CCC[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 ZINC000918548564 1122844408 /nfs/dbraw/zinc/84/44/08/1122844408.db2.gz XKCOTLZJFNTIOZ-PMACEKPBSA-N 0 3 348.450 3.558 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000074206659 1123265263 /nfs/dbraw/zinc/26/52/63/1123265263.db2.gz NKXKNRNZBQJTMN-UONOGXRCSA-N 0 3 340.414 3.752 20 30 EHEDHN N#CCOc1ccccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000920106313 1123292406 /nfs/dbraw/zinc/29/24/06/1123292406.db2.gz MXPQQFOKZLNRRO-MRXNPFEDSA-N 0 3 327.343 3.627 20 30 EHEDHN CCOc1ccc(/C=N\C[C@H](c2cccc(OC)c2)N(C)C)c(O)c1 ZINC000920945023 1123441195 /nfs/dbraw/zinc/44/11/95/1123441195.db2.gz MNOWBWDQBJKSRB-UOIFGXKSSA-N 0 3 342.439 3.521 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)NCc1ccccc1)c1ccc(Cl)s1 ZINC000175101878 1123593703 /nfs/dbraw/zinc/59/37/03/1123593703.db2.gz FACMWABPTMMEFV-YPMHNXCESA-N 0 3 346.839 3.530 20 30 EHEDHN N#Cc1ccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000609627434 1123628514 /nfs/dbraw/zinc/62/85/14/1123628514.db2.gz UHLNHRJWGKGTRQ-CYBMUJFWSA-N 0 3 336.351 3.553 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000609627620 1123629473 /nfs/dbraw/zinc/62/94/73/1123629473.db2.gz WDDKVWKGYWHSBV-CYBMUJFWSA-N 0 3 341.367 3.690 20 30 EHEDHN Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000610002959 1123710672 /nfs/dbraw/zinc/71/06/72/1123710672.db2.gz SNKMJGFHEGEPOC-UGNRZPKXSA-N 0 3 341.499 3.616 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCc2ccccc21 ZINC000734704511 1131268102 /nfs/dbraw/zinc/26/81/02/1131268102.db2.gz RXDPQXQXZUPWIE-NVXWUHKLSA-N 0 3 329.403 3.870 20 30 EHEDHN C[C@@H](c1cccc(Cl)c1)N(C)C[C@H](O)COc1ccccc1C#N ZINC000324857271 1124818463 /nfs/dbraw/zinc/81/84/63/1124818463.db2.gz GSMLCTZEJOPFDI-KSSFIOAISA-N 0 3 344.842 3.644 20 30 EHEDHN CC(C)[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000735311206 1131333736 /nfs/dbraw/zinc/33/37/36/1131333736.db2.gz BSVBXXCGUDHBLN-GOEBONIOSA-N 0 3 341.480 3.983 20 30 EHEDHN CC(C)[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000735311205 1131334429 /nfs/dbraw/zinc/33/44/29/1131334429.db2.gz BSVBXXCGUDHBLN-GDBMZVCRSA-N 0 3 341.480 3.983 20 30 EHEDHN C[C@@H]1c2ccsc2CCN1CCC(=O)Nc1ccccc1C#N ZINC000198391965 1125441723 /nfs/dbraw/zinc/44/17/23/1125441723.db2.gz GBMSDYLQJQUIJH-CYBMUJFWSA-N 0 3 325.437 3.568 20 30 EHEDHN CC(C)CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000532503257 1129445364 /nfs/dbraw/zinc/44/53/64/1129445364.db2.gz WNOGVXCQJMANLE-ZDUSSCGKSA-N 0 3 333.501 3.803 20 30 EHEDHN C=CCCO[C@H](C)C(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000347713765 1129471197 /nfs/dbraw/zinc/47/11/97/1129471197.db2.gz UFPKOKPJPKNWTK-NSHGMRRFSA-N 0 3 344.499 3.652 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265858700 1129510189 /nfs/dbraw/zinc/51/01/89/1129510189.db2.gz RQCGXBVBCVNMQE-IIDMSEBBSA-N 0 3 343.471 3.854 20 30 EHEDHN C=CCn1c([C@@H](C)CC)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508934767 1129559337 /nfs/dbraw/zinc/55/93/37/1129559337.db2.gz KSIGHPLESFNYRT-INIZCTEOSA-N 0 3 333.524 3.536 20 30 EHEDHN N#Cc1c(F)cccc1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000428942793 1129624611 /nfs/dbraw/zinc/62/46/11/1129624611.db2.gz OIDMNNMJRJSKIY-SVFBPWRDSA-N 0 3 336.410 3.702 20 30 EHEDHN Cn1cncc1CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000347741952 1129675691 /nfs/dbraw/zinc/67/56/91/1129675691.db2.gz YIUPQKPLFFSKLE-UHFFFAOYSA-N 0 3 348.425 3.676 20 30 EHEDHN CCCn1nc(C)c(C(=O)C(C#N)c2ccc3ccccc3n2)c1C ZINC000675343257 1130314570 /nfs/dbraw/zinc/31/45/70/1130314570.db2.gz MAYWZHJMHXOUTK-INIZCTEOSA-N 0 3 332.407 3.948 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000731288626 1130783230 /nfs/dbraw/zinc/78/32/30/1130783230.db2.gz YOKNNSCRWPSQHR-SLFFLAALSA-N 0 3 348.446 3.959 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)CC1 ZINC000176159096 1130906556 /nfs/dbraw/zinc/90/65/56/1130906556.db2.gz JXLSRJXBMMFGSA-GOSISDBHSA-N 0 3 347.478 3.863 20 30 EHEDHN N#CC(C(=O)C[C@H]1CCc2ccccc2C1)c1nc2ccccc2[nH]1 ZINC000732593534 1130937333 /nfs/dbraw/zinc/93/73/33/1130937333.db2.gz OJJRBAOXXYYAGT-YOEHRIQHSA-N 0 3 329.403 3.934 20 30 EHEDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1cc(C#N)ccc1F ZINC000734002578 1131181616 /nfs/dbraw/zinc/18/16/16/1131181616.db2.gz PZPSNCFVHUQIDB-LJQANCHMSA-N 0 3 349.450 3.726 20 30 EHEDHN CCCCCC[C@H](CCC)N1CCN(c2nccnc2C#N)CC1 ZINC001172382767 1131727576 /nfs/dbraw/zinc/72/75/76/1131727576.db2.gz CMHNTAKWEGTFHO-KRWDZBQOSA-N 0 3 329.492 3.609 20 30 EHEDHN C[C@@H](CCCC#N)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001172498697 1131760217 /nfs/dbraw/zinc/76/02/17/1131760217.db2.gz NHFSZRIBSIFKOR-FXAWDEMLSA-N 0 3 329.463 3.948 20 30 EHEDHN CC(C)OC(=O)CC[C@@H](C)N1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001172761102 1131837755 /nfs/dbraw/zinc/83/77/55/1131837755.db2.gz DLXLYWYVVZYWFG-VQIMIIECSA-N 0 3 344.455 3.522 20 30 EHEDHN CCS[C@H]1CC[C@@H](N(C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743397898 1131911649 /nfs/dbraw/zinc/91/16/49/1131911649.db2.gz DODLLRNMCMASJM-MSOLQXFVSA-N 0 3 340.496 3.985 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)CC(C)(C)c1ccccc1 ZINC000743449617 1131920258 /nfs/dbraw/zinc/92/02/58/1131920258.db2.gz SQYHVOLVAHYQFB-QGZVFWFLSA-N 0 3 328.456 3.760 20 30 EHEDHN C[C@@H]1CC[C@@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744428353 1132095421 /nfs/dbraw/zinc/09/54/21/1132095421.db2.gz IXBITMXTUBGSCJ-MGPQQGTHSA-N 0 3 327.453 3.593 20 30 EHEDHN C[C@H](NCC#Cc1cccc(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000181878691 1132175791 /nfs/dbraw/zinc/17/57/91/1132175791.db2.gz NCMSEIIUSZEDKP-HNNXBMFYSA-N 0 3 336.826 3.623 20 30 EHEDHN C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000745170684 1132212357 /nfs/dbraw/zinc/21/23/57/1132212357.db2.gz JKWUHEDOBLTPKR-ZIAGYGMSSA-N 0 3 327.453 3.595 20 30 EHEDHN C#CCC(C)(C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000767067901 1132941000 /nfs/dbraw/zinc/94/10/00/1132941000.db2.gz ZPGCFAAMJALMDA-IBGZPJMESA-N 0 3 326.484 3.625 20 30 EHEDHN C[C@H]1CC(N=Nc2nncc3ccccc32)CN(Cc2ccccc2)C1 ZINC000767357621 1132989019 /nfs/dbraw/zinc/98/90/19/1132989019.db2.gz IIJHCRHVYKVPEI-INIZCTEOSA-N 0 3 345.450 3.940 20 30 EHEDHN N#CCOc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000767731559 1133047372 /nfs/dbraw/zinc/04/73/72/1133047372.db2.gz UHXSSHWXAOJZIT-UHFFFAOYSA-N 0 3 329.403 3.750 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc([C@H](C)O)cc2)cc1OC ZINC001177479799 1133074935 /nfs/dbraw/zinc/07/49/35/1133074935.db2.gz ZIUSZPQLUJQMPX-HNNXBMFYSA-N 0 3 327.424 3.603 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(-c2ccncn2)cs1 ZINC001177904338 1133111093 /nfs/dbraw/zinc/11/10/93/1133111093.db2.gz OONQFIDCSYWDOK-LLVKDONJSA-N 0 3 340.433 3.588 20 30 EHEDHN CN(CCN(C)C(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000768746886 1133177124 /nfs/dbraw/zinc/17/71/24/1133177124.db2.gz ZWVBPFNTQZPWJM-UHFFFAOYSA-N 0 3 345.487 3.786 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H](F)c1ccccc1 ZINC000769282747 1133254147 /nfs/dbraw/zinc/25/41/47/1133254147.db2.gz PJJDOCJDJRQLOR-WFASDCNBSA-N 0 3 330.746 3.698 20 30 EHEDHN CC(C)P(CCNC(=O)Cc1c[nH]c2cccc(C#N)c12)C(C)C ZINC001182585505 1133704228 /nfs/dbraw/zinc/70/42/28/1133704228.db2.gz CGCGTOLNTSXGBS-UHFFFAOYSA-N 0 3 343.411 3.997 20 30 EHEDHN C#CCN(Cc1ccc(-n2cncn2)c(C)c1)[C@@H]1CCc2ccccc21 ZINC000772600712 1133707900 /nfs/dbraw/zinc/70/79/00/1133707900.db2.gz XMNQKOIRVMUPSE-JOCHJYFZSA-N 0 3 342.446 3.698 20 30 EHEDHN Cc1cc(C#N)ccc1COC(=O)c1cccc(CN2CCCC2)c1 ZINC000785726588 1133741907 /nfs/dbraw/zinc/74/19/07/1133741907.db2.gz DMSVVYKHVKILMF-UHFFFAOYSA-N 0 3 334.419 3.820 20 30 EHEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001182959795 1133751721 /nfs/dbraw/zinc/75/17/21/1133751721.db2.gz UFYQVAGSWAWRBC-FXAWDEMLSA-N 0 3 347.462 3.568 20 30 EHEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000786314506 1133836592 /nfs/dbraw/zinc/83/65/92/1133836592.db2.gz YQNFEMCPDYWBIJ-WBAXXEDZSA-N 0 3 326.440 3.537 20 30 EHEDHN C[C@@H](NC[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000787028850 1133940256 /nfs/dbraw/zinc/94/02/56/1133940256.db2.gz WQJAZHDTMPWSIE-BMLIUANNSA-N 0 3 336.769 3.874 20 30 EHEDHN CCCCC[C@@H](CC)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787065660 1133944129 /nfs/dbraw/zinc/94/41/29/1133944129.db2.gz ABDGBJKHUMSDQE-MSOLQXFVSA-N 0 3 328.456 3.960 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000787066344 1133945204 /nfs/dbraw/zinc/94/52/04/1133945204.db2.gz LAMYUKBGMBUUPU-IRXDYDNUSA-N 0 3 326.440 3.570 20 30 EHEDHN CC(C)CN1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC001184500178 1133951642 /nfs/dbraw/zinc/95/16/42/1133951642.db2.gz DJXKNQGEHCYEOL-UHFFFAOYSA-N 0 3 328.847 3.538 20 30 EHEDHN CC(=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1cnn(C(C)C)c1C ZINC000787151346 1133960627 /nfs/dbraw/zinc/96/06/27/1133960627.db2.gz BJQKRXOKXJUFTF-UHFFFAOYSA-N 0 3 332.358 3.763 20 30 EHEDHN Cc1cc(CN2CCC[C@H](CNC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774856917 1134070143 /nfs/dbraw/zinc/07/01/43/1134070143.db2.gz HNQQCXNNRGEQDH-QGZVFWFLSA-N 0 3 343.471 3.603 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](c2ccnn2C)C(C)C)c([O-])c1 ZINC000788285538 1134108487 /nfs/dbraw/zinc/10/84/87/1134108487.db2.gz JCJWHVPUOZZNFP-KOMLCTQHSA-N 0 3 342.487 3.831 20 30 EHEDHN CCCCc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001187728741 1134376279 /nfs/dbraw/zinc/37/62/79/1134376279.db2.gz TXCZRVKBDONLHU-MRXNPFEDSA-N 0 3 330.453 3.835 20 30 EHEDHN CC[C@@](C)(NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000775387818 1134701751 /nfs/dbraw/zinc/70/17/51/1134701751.db2.gz MPYREVPREAPPFW-LJQANCHMSA-N 0 3 325.412 3.622 20 30 EHEDHN CCCCCCCNC(=O)N1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001191104379 1134793321 /nfs/dbraw/zinc/79/33/21/1134793321.db2.gz BIDGDBHZVZSLTM-DLBZAZTESA-N 0 3 327.488 3.565 20 30 EHEDHN C=CCc1cc(OCC)ccc1OC(=O)C1CCN(C2CC2)CC1 ZINC000805850004 1135339426 /nfs/dbraw/zinc/33/94/26/1135339426.db2.gz VWTSULBEABRPRC-UHFFFAOYSA-N 0 3 329.440 3.594 20 30 EHEDHN C#Cc1cccc(NC(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)c1 ZINC000806182852 1135407598 /nfs/dbraw/zinc/40/75/98/1135407598.db2.gz FEEJXYQRQOUDLK-WMLDXEAASA-N 0 3 325.412 3.512 20 30 EHEDHN CCN(CCC#N)C(=O)CN(Cc1ccc(C)cc1C)CC(C)C ZINC001195413354 1135421018 /nfs/dbraw/zinc/42/10/18/1135421018.db2.gz PDOJSHYSZZNOOI-UHFFFAOYSA-N 0 3 329.488 3.524 20 30 EHEDHN Clc1ccc(C#CCN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 ZINC001195658788 1135453348 /nfs/dbraw/zinc/45/33/48/1135453348.db2.gz DFRYHALBHFRMKQ-OALUTQOASA-N 0 3 336.866 3.760 20 30 EHEDHN CC[C@@]1(Cc2ccccc2)CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC001195985914 1135497112 /nfs/dbraw/zinc/49/71/12/1135497112.db2.gz LNGYORXKIANNJC-QFIPXVFZSA-N 0 3 347.462 3.984 20 30 EHEDHN C#CCN(C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C1CCCCC1 ZINC000807403501 1135543008 /nfs/dbraw/zinc/54/30/08/1135543008.db2.gz GKGGVLFZVFLUOB-XLIONFOSSA-N 0 3 341.499 3.655 20 30 EHEDHN C#CCN(C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)C1CCCCC1 ZINC000807445122 1135548347 /nfs/dbraw/zinc/54/83/47/1135548347.db2.gz OSLJNGGYAZTJFS-WMZOPIPTSA-N 0 3 345.487 3.686 20 30 EHEDHN C=CC1(CC(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)CCCCC1 ZINC001131099198 1135587805 /nfs/dbraw/zinc/58/78/05/1135587805.db2.gz XQQKYQLPMLXDAJ-GOSISDBHSA-N 0 3 348.531 3.615 20 30 EHEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747532276 1135751574 /nfs/dbraw/zinc/75/15/74/1135751574.db2.gz VWAIUDDESAHNAF-MAUKXSAKSA-N 0 3 327.472 3.671 20 30 EHEDHN C=CCC[C@H](C)NCc1ccc(C(=O)OC)cc1Br ZINC000809753167 1135886038 /nfs/dbraw/zinc/88/60/38/1135886038.db2.gz BPLKCCMDANFWRA-NSHDSACASA-N 0 3 326.234 3.680 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(OCC(F)F)c2)cc1 ZINC000105483278 1135949754 /nfs/dbraw/zinc/94/97/54/1135949754.db2.gz VVVVTLNEALGPSI-CQSZACIVSA-N 0 3 346.377 3.911 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)cc1 ZINC000810532375 1135971108 /nfs/dbraw/zinc/97/11/08/1135971108.db2.gz DBTRGBUWNFGYAO-LXZKKBNFSA-N 0 3 344.480 3.991 20 30 EHEDHN CCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776154436 1136006039 /nfs/dbraw/zinc/00/60/39/1136006039.db2.gz STFVGMJLUIUUBT-HNNXBMFYSA-N 0 3 337.423 3.788 20 30 EHEDHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)N[C@H](C)c1ccc(C#N)cc1 ZINC000776154281 1136006318 /nfs/dbraw/zinc/00/63/18/1136006318.db2.gz SBOZRUVMOQIXKF-DYESRHJHSA-N 0 3 349.478 3.689 20 30 EHEDHN CCCCCCCN1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001201762369 1136060624 /nfs/dbraw/zinc/06/06/24/1136060624.db2.gz HSQJTGYHAPLKRR-HXUWFJFHSA-N 0 3 331.504 3.723 20 30 EHEDHN CCCCCCCCN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001201813166 1136064741 /nfs/dbraw/zinc/06/47/41/1136064741.db2.gz BLCSTEYOLFDOIQ-UHFFFAOYSA-N 0 3 329.492 3.694 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1c(Cl)cccc1Cl ZINC001202111033 1136100612 /nfs/dbraw/zinc/10/06/12/1136100612.db2.gz DHDKYWSCAHGEGH-NSHDSACASA-N 0 3 328.243 3.765 20 30 EHEDHN C[C@H]1C(N=Nc2nncc3ccccc32)CCN1Cc1ccccc1 ZINC000811631128 1136111412 /nfs/dbraw/zinc/11/14/12/1136111412.db2.gz LTAXQIAMPLCCCF-HNNXBMFYSA-N 0 3 331.423 3.692 20 30 EHEDHN C=CCc1cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)c(OC)c1 ZINC000811776535 1136134264 /nfs/dbraw/zinc/13/42/64/1136134264.db2.gz DMZXNMDYQMAOAA-QFBILLFUSA-N 0 3 331.456 3.519 20 30 EHEDHN Cc1cc(C2OCCO2)c(C)cc1CNC1(c2cccc(C#N)c2)CC1 ZINC001202367048 1136134259 /nfs/dbraw/zinc/13/42/59/1136134259.db2.gz WGPUWXGNGLVLNI-UHFFFAOYSA-N 0 3 348.446 3.999 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C1CC1)C1CC1 ZINC000747824798 1136267067 /nfs/dbraw/zinc/26/70/67/1136267067.db2.gz SJAOFOFYPUJRAO-CQSZACIVSA-N 0 3 339.464 3.593 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000850740000 1136298457 /nfs/dbraw/zinc/29/84/57/1136298457.db2.gz ZVMRVCRJHBUSQH-MNOVXSKESA-N 0 3 336.222 3.724 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000850760613 1136300978 /nfs/dbraw/zinc/30/09/78/1136300978.db2.gz VLJWSFXLOFXCCK-AAEUAGOBSA-N 0 3 339.222 3.616 20 30 EHEDHN Cc1ccccc1OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813213454 1136303830 /nfs/dbraw/zinc/30/38/30/1136303830.db2.gz MMXFIAKSUGJHDJ-ZDUSSCGKSA-N 0 3 334.297 3.664 20 30 EHEDHN CC1CCC(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CC1 ZINC000813218536 1136304560 /nfs/dbraw/zinc/30/45/60/1136304560.db2.gz QBTNKPOPQCLUFP-UXUKBGGZSA-N 0 3 340.345 3.872 20 30 EHEDHN CC(C)(C)CN(CCC#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000109813966 1136347297 /nfs/dbraw/zinc/34/72/97/1136347297.db2.gz JWIBYLRHPVWHFA-UHFFFAOYSA-N 0 3 337.508 3.895 20 30 EHEDHN CC(C)(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(C#N)c1 ZINC000852354219 1136451715 /nfs/dbraw/zinc/45/17/15/1136451715.db2.gz LXCFELYYECJLHF-FQEVSTJZSA-N 0 3 347.462 3.574 20 30 EHEDHN N#CCOc1ccc(CN2CCC3(CCc4ccccc4O3)CC2)cc1 ZINC000852674540 1136476377 /nfs/dbraw/zinc/47/63/77/1136476377.db2.gz HGZNCSDRYRKJQV-UHFFFAOYSA-N 0 3 348.446 3.949 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)C(=O)Nc1cccc(C#N)c1 ZINC000852781602 1136486658 /nfs/dbraw/zinc/48/66/58/1136486658.db2.gz MNOPSYNOOBLKLJ-GJZGRUSLSA-N 0 3 349.434 3.561 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](CC(C)C)c2ccccc2C)CC1 ZINC000112257784 1136618584 /nfs/dbraw/zinc/61/85/84/1136618584.db2.gz CXRZAMFXJHKMQG-FQEVSTJZSA-N 0 3 326.484 3.544 20 30 EHEDHN C=CCCO[C@H](C)C(=O)O[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000816468878 1136720289 /nfs/dbraw/zinc/72/02/89/1136720289.db2.gz OUZYAVRSKKJKKS-ZHALLVOQSA-N 0 3 331.456 3.564 20 30 EHEDHN C#CCN(C)CCCNC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 ZINC000818589135 1136885598 /nfs/dbraw/zinc/88/55/98/1136885598.db2.gz RWKBGUYPBFMJMN-UHFFFAOYSA-N 0 3 344.455 3.548 20 30 EHEDHN CC(=O)N(C)c1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000858250967 1136952316 /nfs/dbraw/zinc/95/23/16/1136952316.db2.gz LGEYDJYHXRUJBM-UHFFFAOYSA-N 0 3 335.451 3.760 20 30 EHEDHN CC(=O)N(C)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000858495393 1136973215 /nfs/dbraw/zinc/97/32/15/1136973215.db2.gz CNKKWJCBURJORL-OAQYLSRUSA-N 0 3 333.435 3.708 20 30 EHEDHN Cc1ccc(CN2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859107370 1137003387 /nfs/dbraw/zinc/00/33/87/1137003387.db2.gz HLPCWHQHPOYNEE-QGZVFWFLSA-N 0 3 343.471 3.603 20 30 EHEDHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1C#N ZINC000859229871 1137008964 /nfs/dbraw/zinc/00/89/64/1137008964.db2.gz OTLIPRKFLJQSOE-INIZCTEOSA-N 0 3 333.435 3.844 20 30 EHEDHN C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001136514275 1137044010 /nfs/dbraw/zinc/04/40/10/1137044010.db2.gz AFRLBXBUJBGUNV-UHFFFAOYSA-N 0 3 349.409 3.706 20 30 EHEDHN C#CC[C@H]1CCN(Cc2ccnc3c(Br)cccc23)C1 ZINC000862446817 1137145436 /nfs/dbraw/zinc/14/54/36/1137145436.db2.gz FSOZYEFEVJAASI-ZDUSSCGKSA-N 0 3 329.241 3.843 20 30 EHEDHN N#CCOc1ccc(Cl)cc1CN1CCC2(CC2(F)F)CC1 ZINC000844409491 1137220716 /nfs/dbraw/zinc/22/07/16/1137220716.db2.gz NHRDBCFRVGTCJM-UHFFFAOYSA-N 0 3 326.774 3.864 20 30 EHEDHN C=CCC(C)(C)C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001144069076 1137234517 /nfs/dbraw/zinc/23/45/17/1137234517.db2.gz FFIGDOKIXLEAPO-HKUYNNGSSA-N 0 3 328.500 3.958 20 30 EHEDHN C#Cc1cccc(NC(=S)N[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000844593128 1137238293 /nfs/dbraw/zinc/23/82/93/1137238293.db2.gz CZJUUWLSEHJMIE-OAQYLSRUSA-N 0 3 349.503 3.619 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)CCC(=O)OC(C)C)c([O-])c1 ZINC000794832745 1137273379 /nfs/dbraw/zinc/27/33/79/1137273379.db2.gz KONAQOSTZILXBC-OOWUWCJESA-N 0 3 334.460 3.778 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1ccn(Cc2ccccc2)n1 ZINC001171193181 1137299724 /nfs/dbraw/zinc/29/97/24/1137299724.db2.gz URARZCSUZHUBPY-KRWDZBQOSA-N 0 3 330.435 3.524 20 30 EHEDHN C#Cc1ccc(CN2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001144568386 1137311220 /nfs/dbraw/zinc/31/12/20/1137311220.db2.gz SYKFDYLXDJTAKV-NRFANRHFSA-N 0 3 340.467 3.643 20 30 EHEDHN C#Cc1ccc(CN2CCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001144568568 1137311529 /nfs/dbraw/zinc/31/15/29/1137311529.db2.gz YLHPNUSBCZBSJA-SFHVURJKSA-N 0 3 328.456 3.547 20 30 EHEDHN C#Cc1cccc(CN[C@H](CC)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000846168244 1137337737 /nfs/dbraw/zinc/33/77/37/1137337737.db2.gz IYJNJXGLJNCNQM-GOSISDBHSA-N 0 3 339.435 3.935 20 30 EHEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1cc(OC)c(OC)c(OC)c1 ZINC000846141555 1137338557 /nfs/dbraw/zinc/33/85/57/1137338557.db2.gz PWUHEMCLNSWFNW-QGZVFWFLSA-N 0 3 340.423 3.825 20 30 EHEDHN C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)c1cccc(C#N)c1[O-] ZINC000866278653 1137342095 /nfs/dbraw/zinc/34/20/95/1137342095.db2.gz VXFWMUKIPQWBRP-HNNXBMFYSA-N 0 3 327.472 3.712 20 30 EHEDHN CCN1C[C@H](CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)OC1=O ZINC000846852067 1137371920 /nfs/dbraw/zinc/37/19/20/1137371920.db2.gz VWFRZFGYKMFHHB-YWZLYKJASA-N 0 3 349.434 3.717 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC2(C)CCC2)cc1 ZINC000772970115 1137387306 /nfs/dbraw/zinc/38/73/06/1137387306.db2.gz AJGRUQBXCFUCLP-YOEHRIQHSA-N 0 3 342.439 3.807 20 30 EHEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H](c4ccccc4)C3)o2)cc1 ZINC000173586020 1137435302 /nfs/dbraw/zinc/43/53/02/1137435302.db2.gz TUEOCEHLCHNKIK-GOSISDBHSA-N 0 3 330.391 3.598 20 30 EHEDHN C=CCOc1ccccc1[C@@H](C)Nc1ccc2c(c1)COC21CNC1 ZINC001171376167 1137462585 /nfs/dbraw/zinc/46/25/85/1137462585.db2.gz PFIKPNVRVPHKSW-OAHLLOKOSA-N 0 3 336.435 3.753 20 30 EHEDHN CCc1nc2c(s1)[C@H](NCc1ccc(OC)c(C#N)c1)CCC2 ZINC000773084567 1137464038 /nfs/dbraw/zinc/46/40/38/1137464038.db2.gz UEMBFJRWPVBYAU-CQSZACIVSA-N 0 3 327.453 3.753 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000876643525 1137658044 /nfs/dbraw/zinc/65/80/44/1137658044.db2.gz ZCZCNTMDRPEDAL-KBPBESRZSA-N 0 3 346.780 3.839 20 30 EHEDHN CN(C)c1ccc(C#N)cc1CN1CCC2(CC1)OCc1ccccc12 ZINC000876776773 1137661033 /nfs/dbraw/zinc/66/10/33/1137661033.db2.gz QORYEJLUHTTXSW-UHFFFAOYSA-N 0 3 347.462 3.646 20 30 EHEDHN N#Cc1cccc(CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000876804980 1137661999 /nfs/dbraw/zinc/66/19/99/1137661999.db2.gz WCMYMLCFZBGVOL-MSOLQXFVSA-N 0 3 341.480 3.883 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CNC[C@H]2CC2(Cl)Cl)ccc1OC ZINC000877030088 1137668141 /nfs/dbraw/zinc/66/81/41/1137668141.db2.gz XMIFFEBPGRIYQA-OLZOCXBDSA-N 0 3 343.254 3.660 20 30 EHEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000877376124 1137674950 /nfs/dbraw/zinc/67/49/50/1137674950.db2.gz BCDYWBOQAUISQC-IAGOWNOFSA-N 0 3 327.815 3.617 20 30 EHEDHN CC(=O)C1(c2ccccc2)CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC001137120439 1137677616 /nfs/dbraw/zinc/67/76/16/1137677616.db2.gz MTZCHQWTFKKEGH-UHFFFAOYSA-N 0 3 348.446 3.712 20 30 EHEDHN C[C@@H](CCOCc1ccccc1)NCc1cc(C#N)cnc1Cl ZINC000877531789 1137680076 /nfs/dbraw/zinc/68/00/76/1137680076.db2.gz CGNUZCKDZOPEDF-AWEZNQCLSA-N 0 3 329.831 3.692 20 30 EHEDHN CC(=O)[C@@](C#N)(CCN1CCc2ccccc2CC1)c1ccccc1 ZINC000878111004 1137702815 /nfs/dbraw/zinc/70/28/15/1137702815.db2.gz PCMKSCQEWRHLGV-QFIPXVFZSA-N 0 3 332.447 3.528 20 30 EHEDHN N#CCC1(CN(Cc2ccccc2)C[C@@H](O)c2cccs2)CC1 ZINC000878187314 1137706366 /nfs/dbraw/zinc/70/63/66/1137706366.db2.gz ZWWPTFOSLQXOPC-QGZVFWFLSA-N 0 3 326.465 3.978 20 30 EHEDHN C=CCCC[C@@H](C(=O)NC1CCN(CC=C)CC1)c1ccccc1 ZINC000878750416 1137727052 /nfs/dbraw/zinc/72/70/52/1137727052.db2.gz DOGHQCUEXNZLBU-HXUWFJFHSA-N 0 3 326.484 3.893 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878885897 1137730978 /nfs/dbraw/zinc/73/09/78/1137730978.db2.gz UHZJPBPINVWMOY-UKRRQHHQSA-N 0 3 342.399 3.869 20 30 EHEDHN COc1cccc(CN2CCN(CCCCC(C)(C)C#N)CC2)c1 ZINC000879448990 1137747978 /nfs/dbraw/zinc/74/79/78/1137747978.db2.gz GAUFPWDZWTTXFM-UHFFFAOYSA-N 0 3 329.488 3.533 20 30 EHEDHN N#Cc1ccc(CNC2([C@@H]3CCCCO3)CCC2)c(OC(F)F)c1 ZINC000879735701 1137757071 /nfs/dbraw/zinc/75/70/71/1137757071.db2.gz YMSQLFPZGGCERF-INIZCTEOSA-N 0 3 336.382 3.741 20 30 EHEDHN COc1cc(C#N)ccc1OC1CCN(Cc2cc(C)cs2)CC1 ZINC001137158273 1137784693 /nfs/dbraw/zinc/78/46/93/1137784693.db2.gz LEOSDVQEGWFGTB-UHFFFAOYSA-N 0 3 342.464 3.980 20 30 EHEDHN C#CCCCCCC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001137176336 1137825027 /nfs/dbraw/zinc/82/50/27/1137825027.db2.gz OMNLZCCHJXPWAD-UHFFFAOYSA-N 0 3 332.532 3.929 20 30 EHEDHN C=CCCC[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccccc1 ZINC000883176166 1137847380 /nfs/dbraw/zinc/84/73/80/1137847380.db2.gz XDLJKKAJKZZGHT-VQTJNVASSA-N 0 3 339.483 3.940 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OCC3CC3)nc2)cc1 ZINC000131316622 1137850443 /nfs/dbraw/zinc/85/04/43/1137850443.db2.gz JZAVOSYHKGRZFO-MRXNPFEDSA-N 0 3 336.435 3.733 20 30 EHEDHN N#CC1(c2ccc(CN[C@@H](Cn3ccnc3)c3ccccc3)cc2)CC1 ZINC000883397846 1137859638 /nfs/dbraw/zinc/85/96/38/1137859638.db2.gz XJPHNCFYHDRJFI-NRFANRHFSA-N 0 3 342.446 3.969 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000106315232 1137883165 /nfs/dbraw/zinc/88/31/65/1137883165.db2.gz IQUOKUPQEUGIHK-UHFFFAOYSA-N 0 3 337.851 3.511 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCCN(c2ccccc2C#N)CC1 ZINC000118393250 1137933611 /nfs/dbraw/zinc/93/36/11/1137933611.db2.gz CBKVCQGHRJNTLP-KRWDZBQOSA-N 0 3 330.435 3.703 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=CSCc1ccco1 ZINC000134117467 1137940668 /nfs/dbraw/zinc/94/06/68/1137940668.db2.gz JCSXPFXZBZYEGW-PLWJUESGSA-N 0 3 337.404 3.790 20 30 EHEDHN N#Cc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)ccc1F ZINC000120475701 1137950056 /nfs/dbraw/zinc/95/00/56/1137950056.db2.gz KIFVAKHZAXCJMP-GOSISDBHSA-N 0 3 340.398 3.584 20 30 EHEDHN N#Cc1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)ccc1F ZINC000134807743 1137960985 /nfs/dbraw/zinc/96/09/85/1137960985.db2.gz YWSDAUXDVWXQGV-UYAOXDASSA-N 0 3 342.389 3.925 20 30 EHEDHN N#CC1(C[C@H](O)CN2CCc3cc(C(F)(F)F)ccc3C2)CCC1 ZINC000886300226 1138065815 /nfs/dbraw/zinc/06/58/15/1138065815.db2.gz CNIAAAHYWJUVHW-INIZCTEOSA-N 0 3 338.373 3.508 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000068919399 1138086741 /nfs/dbraw/zinc/08/67/41/1138086741.db2.gz JOLNHIBTXNYNCC-UHFFFAOYSA-N 0 3 345.657 3.931 20 30 EHEDHN CSc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C#N ZINC000886688308 1138115653 /nfs/dbraw/zinc/11/56/53/1138115653.db2.gz OLAZBSPPUJDIOO-NPMABZOXSA-N 0 3 344.505 3.868 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cccc(F)c2)C(C)C)CC1 ZINC000264342586 1138482319 /nfs/dbraw/zinc/48/23/19/1138482319.db2.gz COVOJECDZWICQU-UHFFFAOYSA-N 0 3 347.478 3.786 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CC)[C@@H](CC)c2ccccc2)CC1 ZINC000264375248 1138493673 /nfs/dbraw/zinc/49/36/73/1138493673.db2.gz SJGBBNBIRVJZCE-IBGZPJMESA-N 0 3 329.488 3.820 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3ccccc3C)C2)CC1 ZINC000264385792 1138496807 /nfs/dbraw/zinc/49/68/07/1138496807.db2.gz MOMNSTOPNAPIDV-GOSISDBHSA-N 0 3 341.499 3.534 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(OCC)c2)CC1 ZINC000264402002 1138501756 /nfs/dbraw/zinc/50/17/56/1138501756.db2.gz PDIOSFWXGBBZKW-UHFFFAOYSA-N 0 3 331.460 3.556 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccnc(N3CCCC3)c2)cc1 ZINC000131409792 1138515738 /nfs/dbraw/zinc/51/57/38/1138515738.db2.gz FNFDGGIRRDXIQK-KRWDZBQOSA-N 0 3 335.451 3.545 20 30 EHEDHN C[C@@H](N[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(C#N)cc1 ZINC000338356195 1138850725 /nfs/dbraw/zinc/85/07/25/1138850725.db2.gz KQOYMSHCEVCXKZ-KUHUBIRLSA-N 0 3 337.398 3.544 20 30 EHEDHN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCN1CCC(C)CC1 ZINC000338401717 1138892895 /nfs/dbraw/zinc/89/28/95/1138892895.db2.gz ZPZNXZGLUJWTPI-UHFFFAOYSA-N 0 3 343.858 3.567 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(SC)c(Cl)c2)CC1 ZINC000176110290 1139540071 /nfs/dbraw/zinc/54/00/71/1139540071.db2.gz TZSUGLHNVKACGR-UHFFFAOYSA-N 0 3 339.892 3.834 20 30 EHEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)c(C#N)c1C ZINC000179689912 1139774305 /nfs/dbraw/zinc/77/43/05/1139774305.db2.gz XGNXTLJWZNOVJC-SCLBCKFNSA-N 0 3 337.423 3.836 20 30 EHEDHN COc1cc(O)c(CN[C@H](CCC#N)c2ccccc2)cc1OC ZINC000182655892 1139985098 /nfs/dbraw/zinc/98/50/98/1139985098.db2.gz PGSHUKGJHXJNLU-MRXNPFEDSA-N 0 3 326.396 3.544 20 30 EHEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000184282735 1140092336 /nfs/dbraw/zinc/09/23/36/1140092336.db2.gz QNQWCHZNWOIORG-NSHDSACASA-N 0 3 336.775 3.535 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000185788886 1140169766 /nfs/dbraw/zinc/16/97/66/1140169766.db2.gz AICVZCSQFGDFSG-CRAIPNDOSA-N 0 3 325.456 3.987 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3ccsc3)CC2)CC1 ZINC000186870217 1140226013 /nfs/dbraw/zinc/22/60/13/1140226013.db2.gz HJBDVLHDKSSULX-UHFFFAOYSA-N 0 3 347.528 3.678 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000187730020 1140269341 /nfs/dbraw/zinc/26/93/41/1140269341.db2.gz OOXADHFBANBIJL-SFHVURJKSA-N 0 3 344.462 3.699 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000266957649 1140743436 /nfs/dbraw/zinc/74/34/36/1140743436.db2.gz SVYVTWPKKHJPHK-LBPRGKRZSA-N 0 3 341.282 3.864 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268605424 1140961768 /nfs/dbraw/zinc/96/17/68/1140961768.db2.gz YDBHYRNLWOSTJI-LJQANCHMSA-N 0 3 348.450 3.605 20 30 EHEDHN CC(C)CN1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000301625726 719339944 /nfs/dbraw/zinc/33/99/44/719339944.db2.gz GKZNISREWMGLKL-UHFFFAOYSA-N 0 3 328.847 3.538 20 30 EHEDHN N#Cc1c(Cl)c2ccccc2nc1N1CCN(C2CCCC2)CC1 ZINC001165031646 721859769 /nfs/dbraw/zinc/85/97/69/721859769.db2.gz GOPITXQUIAZBRC-UHFFFAOYSA-N 0 3 340.858 3.824 20 30 EHEDHN C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573341967 947535473 /nfs/dbraw/zinc/53/54/73/947535473.db2.gz RWOPKEGPKUEIEZ-MRXNPFEDSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CC[N@H+](CCc1ccccc1)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573341967 947535481 /nfs/dbraw/zinc/53/54/81/947535481.db2.gz RWOPKEGPKUEIEZ-MRXNPFEDSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573341967 947535485 /nfs/dbraw/zinc/53/54/85/947535485.db2.gz RWOPKEGPKUEIEZ-MRXNPFEDSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CC[N@H+](CCc1ccccc1)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573341967 947535494 /nfs/dbraw/zinc/53/54/94/947535494.db2.gz RWOPKEGPKUEIEZ-MRXNPFEDSA-N 0 3 333.439 3.658 20 30 EHEDHN COc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1Br ZINC000189586084 1016563086 /nfs/dbraw/zinc/56/30/86/1016563086.db2.gz IAODBCUSXIPBKZ-LLVKDONJSA-N 0 3 348.244 3.519 20 30 EHEDHN C[C@H](Nc1cccc2cc([C@H]3CNCCO3)cn21)c1cccc(C#N)c1 ZINC001167711196 1016813113 /nfs/dbraw/zinc/81/31/13/1016813113.db2.gz ZUXOXTFFWBVGEF-MGPUTAFESA-N 0 3 346.434 3.645 20 30 EHEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCCCC[C@H]1c1ccco1 ZINC000528391393 1032214584 /nfs/dbraw/zinc/21/45/84/1032214584.db2.gz ZCUHZQYWPWUUCB-ROUUACIJSA-N 0 3 340.423 3.508 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CNC1(c2cccc(Cl)c2)CCCC1 ZINC000538224783 1032225557 /nfs/dbraw/zinc/22/55/57/1032225557.db2.gz JQDHDOMQWIVNTH-HNNXBMFYSA-N 0 3 347.890 3.707 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](CCC)c2cccc(Cl)c2)CC1 ZINC000528447191 1032289443 /nfs/dbraw/zinc/28/94/43/1032289443.db2.gz DXWOIGNQUGPPOX-SFHVURJKSA-N 0 3 334.891 3.990 20 30 EHEDHN Oc1ccc2ccccc2c1/C=N\[C@@H]1CCCN2CCSC[C@@H]12 ZINC000905002262 1032316143 /nfs/dbraw/zinc/31/61/43/1032316143.db2.gz GDJWGUMTGXVKNG-RJKQYODTSA-N 0 3 326.465 3.544 20 30 EHEDHN CCOc1cc(/C=C2/C(=O)c3ncnn3C2C)ccc1OCC(C)C ZINC000905082904 1032333865 /nfs/dbraw/zinc/33/38/65/1032333865.db2.gz YIBZFNTVTUHVCE-LIOBOASVSA-N 0 3 341.411 3.553 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)c(F)c1)c1nc2ccccc2s1 ZINC000160118213 1032349420 /nfs/dbraw/zinc/34/94/20/1032349420.db2.gz MIMWJBGPNZJZOC-JTQLQIEISA-N 0 3 329.331 3.820 20 30 EHEDHN C[C@@H](NC1CCC(C)(C#N)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000449258219 1032367099 /nfs/dbraw/zinc/36/70/99/1032367099.db2.gz LYQUEXLGOLPBDC-QCGKTTIDSA-N 0 3 328.391 3.999 20 30 EHEDHN COc1ccccc1-c1noc([C@H](C)NC2CCC(C)(C#N)CC2)n1 ZINC000449279622 1032398774 /nfs/dbraw/zinc/39/87/74/1032398774.db2.gz RQETWGOYPKEKBN-CDJWAVJASA-N 0 3 340.427 3.868 20 30 EHEDHN C=CCN(CCOC)Cc1ccnc2c(Br)cccc12 ZINC000449283781 1032404437 /nfs/dbraw/zinc/40/44/37/1032404437.db2.gz MODYLTMJLJJWIO-UHFFFAOYSA-N 0 3 335.245 3.632 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccs1 ZINC000537077983 1032508345 /nfs/dbraw/zinc/50/83/45/1032508345.db2.gz OCXCQYUFUUZROY-ZWKOTPCHSA-N 0 3 333.501 3.623 20 30 EHEDHN C[C@@H]1CCCC[C@H]1OCCN1CCCN(c2ccccc2C#N)CC1 ZINC000058580251 1032591615 /nfs/dbraw/zinc/59/16/15/1032591615.db2.gz JBDMCARPHRWHCH-WIYYLYMNSA-N 0 3 341.499 3.666 20 30 EHEDHN C=CCNC(=O)CNC(CC)(CC)c1ccc(Cl)c(Cl)c1 ZINC000580296046 1017584773 /nfs/dbraw/zinc/58/47/73/1017584773.db2.gz CRFWPKCQFBTETK-UHFFFAOYSA-N 0 3 329.271 3.901 20 30 EHEDHN N#Cc1ccc(CCNC(=O)c2cccc(CN3CCCCC3)c2)cc1 ZINC000597893675 1032754668 /nfs/dbraw/zinc/75/46/68/1032754668.db2.gz HJJDGXYWKQGGRQ-UHFFFAOYSA-N 0 3 347.462 3.517 20 30 EHEDHN C=CCOc1ccc(CN2CCC(C(=O)N(C)CCCC)CC2)cc1 ZINC000092145478 1032771286 /nfs/dbraw/zinc/77/12/86/1032771286.db2.gz VNARHJHJQXRABH-UHFFFAOYSA-N 0 3 344.499 3.722 20 30 EHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cncc(Br)c1 ZINC000580096613 1018638876 /nfs/dbraw/zinc/63/88/76/1018638876.db2.gz KPRCSHJJBUFLFB-GFCCVEGCSA-N 0 3 330.229 3.761 20 30 EHEDHN N#Cc1ccc(C2CCN(Cc3ccnn3-c3ccncc3)CC2)cc1 ZINC000897588642 1032856258 /nfs/dbraw/zinc/85/62/58/1032856258.db2.gz JDVDRDSVWQQNCE-UHFFFAOYSA-N 0 3 343.434 3.519 20 30 EHEDHN CCN(CC)[C@@H](CNc1c(C#N)nnc2ccccc21)c1ccco1 ZINC000077213290 1020448259 /nfs/dbraw/zinc/44/82/59/1020448259.db2.gz JFYDVJMOKVYJGY-KRWDZBQOSA-N 0 3 335.411 3.589 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1Cl ZINC000093869922 1032918287 /nfs/dbraw/zinc/91/82/87/1032918287.db2.gz QEVZSSRQGCRTKJ-MRXNPFEDSA-N 0 3 345.874 3.703 20 30 EHEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000606968143 1032926552 /nfs/dbraw/zinc/92/65/52/1032926552.db2.gz RWTVGMFXTFQPFV-LJQANCHMSA-N 0 3 329.488 3.649 20 30 EHEDHN C[C@H](COc1ccccc1C(F)(F)F)NCc1cccc(C#N)n1 ZINC000602522578 1032935309 /nfs/dbraw/zinc/93/53/09/1032935309.db2.gz DUYIDMURFSRWLM-GFCCVEGCSA-N 0 3 335.329 3.529 20 30 EHEDHN C(=NOCc1ccc2c(c1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000255310042 1020988608 /nfs/dbraw/zinc/98/86/08/1020988608.db2.gz DQKUYWINJOIUOF-UHFFFAOYSA-N 0 3 336.435 3.563 20 30 EHEDHN CC[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[C@H]1c1ccccc1 ZINC000592504936 1032954749 /nfs/dbraw/zinc/95/47/49/1032954749.db2.gz NALGIXKDLKXHCO-FXAWDEMLSA-N 0 3 345.450 3.617 20 30 EHEDHN N#CCSCCCN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000074981714 1021136466 /nfs/dbraw/zinc/13/64/66/1021136466.db2.gz PVYPMTMORGOQIG-UHFFFAOYSA-N 0 3 338.423 3.506 20 30 EHEDHN CC(C)(C)c1cc2cccnc2c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000602549934 1032983082 /nfs/dbraw/zinc/98/30/82/1032983082.db2.gz FVZKBNNIVZWEOM-INIZCTEOSA-N 0 3 338.455 3.882 20 30 EHEDHN CSc1ccc([C@@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000439480398 1021487787 /nfs/dbraw/zinc/48/77/87/1021487787.db2.gz XPESPNRFGDIDFT-QWQRMKEZSA-N 0 3 333.501 3.502 20 30 EHEDHN CCC(CC)Nc1ccncc1NC(=O)CCc1ccc(C#N)cc1 ZINC000516559377 1021542167 /nfs/dbraw/zinc/54/21/67/1021542167.db2.gz UBSDSCWWXKGXEF-UHFFFAOYSA-N 0 3 336.439 3.547 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC000602577011 1032995923 /nfs/dbraw/zinc/99/59/23/1032995923.db2.gz FEEBNNIIGVNZCI-CQSZACIVSA-N 0 3 334.489 3.931 20 30 EHEDHN C=CCNC(=O)[C@H](C)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000519876144 1021732029 /nfs/dbraw/zinc/73/20/29/1021732029.db2.gz XFQLMRVZXLHQRH-KXBFYZLASA-N 0 3 342.870 3.904 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000341455268 1021939894 /nfs/dbraw/zinc/93/98/94/1021939894.db2.gz LBPNFRZYNFARDV-QGZVFWFLSA-N 0 3 333.451 3.655 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000574306627 1033036266 /nfs/dbraw/zinc/03/62/66/1033036266.db2.gz BOWXYTNTOUMWIP-BLLLJJGKSA-N 0 3 345.830 3.664 20 30 EHEDHN CO[C@H](C)CN(CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000438070927 1022351482 /nfs/dbraw/zinc/35/14/82/1022351482.db2.gz XZSHWSIOEXGVPX-CQSZACIVSA-N 0 3 329.362 3.682 20 30 EHEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCC1(C#N)CCCCC1 ZINC000598303760 1033073662 /nfs/dbraw/zinc/07/36/62/1033073662.db2.gz DCBDTHUSTZAXJC-UHFFFAOYSA-N 0 3 339.439 3.698 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)n1 ZINC000048787595 1022789514 /nfs/dbraw/zinc/78/95/14/1022789514.db2.gz HPMOSJKTPRHXHD-LBPRGKRZSA-N 0 3 341.358 3.922 20 30 EHEDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccco1 ZINC000067383273 1022908723 /nfs/dbraw/zinc/90/87/23/1022908723.db2.gz BHCVPCHJTMIWJD-INIZCTEOSA-N 0 3 328.372 3.554 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)CC(C)C)CC1 ZINC000517998097 1022920093 /nfs/dbraw/zinc/92/00/93/1022920093.db2.gz XIDCNGSBPQXRJC-UHFFFAOYSA-N 0 3 343.515 3.895 20 30 EHEDHN C[C@@H](CCC#N)CN1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000602707983 1033095585 /nfs/dbraw/zinc/09/55/85/1033095585.db2.gz XDQGHQGXOAPTBE-MAUKXSAKSA-N 0 3 328.456 3.867 20 30 EHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000127384324 1023114400 /nfs/dbraw/zinc/11/44/00/1023114400.db2.gz RVDOFGHSCVBJEO-NRFANRHFSA-N 0 3 336.435 3.748 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@H]2C)CC1 ZINC000507182393 1023167759 /nfs/dbraw/zinc/16/77/59/1023167759.db2.gz PMCMLUJCHYRGNH-AUUYWEPGSA-N 0 3 347.890 3.525 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccsc1C(F)(F)F ZINC000602725703 1033110359 /nfs/dbraw/zinc/11/03/59/1033110359.db2.gz ISXABOLXQJGCCF-LLVKDONJSA-N 0 3 332.391 3.955 20 30 EHEDHN Cc1nsc(NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1C#N ZINC000341929234 1023714744 /nfs/dbraw/zinc/71/47/44/1023714744.db2.gz NCWUMLFSOLJNPJ-KRWDZBQOSA-N 0 3 326.469 3.881 20 30 EHEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCCC[C@@H]1O ZINC000181451863 1023940563 /nfs/dbraw/zinc/94/05/63/1023940563.db2.gz LAHSEIFBQGFTGE-WBVHZDCISA-N 0 3 325.374 3.540 20 30 EHEDHN COc1cc(CN[C@@H](c2cccs2)C2(CO)CCC2)ccc1C#N ZINC000449770183 1033184142 /nfs/dbraw/zinc/18/41/42/1033184142.db2.gz WBVXMEQJGWGTAJ-SFHVURJKSA-N 0 3 342.464 3.622 20 30 EHEDHN Cc1ccccc1[C@H](NCC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000183232418 1024194007 /nfs/dbraw/zinc/19/40/07/1024194007.db2.gz LMRNETOWVGCINW-LJQANCHMSA-N 0 3 327.472 3.624 20 30 EHEDHN Cc1ccccc1[C@@H](NCC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000183232439 1024194576 /nfs/dbraw/zinc/19/45/76/1024194576.db2.gz LMRNETOWVGCINW-IBGZPJMESA-N 0 3 327.472 3.624 20 30 EHEDHN C=CCC[C@@H](NCC(=O)N(C)CC)c1ccc(C(F)(F)F)cc1 ZINC000342195558 1024368007 /nfs/dbraw/zinc/36/80/07/1024368007.db2.gz BWSYEPDURNKDAL-OAHLLOKOSA-N 0 3 328.378 3.781 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000443660964 1024374524 /nfs/dbraw/zinc/37/45/24/1024374524.db2.gz ZTIZTHVWFDAIIR-IXDOHACOSA-N 0 3 345.462 3.829 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000342232329 1024497807 /nfs/dbraw/zinc/49/78/07/1024497807.db2.gz YDELXEACFYKPCG-PXNSSMCTSA-N 0 3 341.499 3.906 20 30 EHEDHN CCCN(Cc1ccc(Br)cc1C#N)C1CCOCC1 ZINC001141817117 1024591146 /nfs/dbraw/zinc/59/11/46/1024591146.db2.gz WYAZVCKGSTWIQI-UHFFFAOYSA-N 0 3 337.261 3.712 20 30 EHEDHN C#CCC1(O)CCN(Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000895674832 1024707830 /nfs/dbraw/zinc/70/78/30/1024707830.db2.gz FWXCIHPDITZRTR-UHFFFAOYSA-N 0 3 331.362 3.575 20 30 EHEDHN N#Cc1ccc([C@H](NC[C@H]2CCCC[C@H]2c2ccccc2)C(N)=O)cc1 ZINC000514824552 1024768932 /nfs/dbraw/zinc/76/89/32/1024768932.db2.gz MUAFNUCILXJVOP-HKBOAZHASA-N 0 3 347.462 3.648 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(N2CCOC2=O)cc1 ZINC000783535509 1025372920 /nfs/dbraw/zinc/37/29/20/1025372920.db2.gz NMUOFSPTCRVALJ-HXUWFJFHSA-N 0 3 347.418 3.682 20 30 EHEDHN C[C@H](CCc1ccccc1)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000521422177 1025373195 /nfs/dbraw/zinc/37/31/95/1025373195.db2.gz DJERPPOZPJTFAO-QGZVFWFLSA-N 0 3 337.442 3.841 20 30 EHEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2Cc2cc(C#N)ccc2F)C1 ZINC000439012963 1025404407 /nfs/dbraw/zinc/40/44/07/1025404407.db2.gz VRPPNENONBDYAY-JBCDFXQESA-N 0 3 330.447 3.849 20 30 EHEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2Cc2cc(C#N)ccc2F)C1 ZINC000439012966 1025412871 /nfs/dbraw/zinc/41/28/71/1025412871.db2.gz VRPPNENONBDYAY-JRJVTICQSA-N 0 3 330.447 3.849 20 30 EHEDHN C[C@](C#N)(NC(=O)CN1CCC[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000098137009 1025431381 /nfs/dbraw/zinc/43/13/81/1025431381.db2.gz ADUONHYBEGFUTH-IFMALSPDSA-N 0 3 347.462 3.785 20 30 EHEDHN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)C2(C)C)C1=CCN(C)CC1 ZINC000329000777 1025567306 /nfs/dbraw/zinc/56/73/06/1025567306.db2.gz XIXPSWBFKXUWHP-LBPRGKRZSA-N 0 3 327.428 3.521 20 30 EHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1sccc1C#N ZINC000347287402 1025834245 /nfs/dbraw/zinc/83/42/45/1025834245.db2.gz HZEMVDPXBDOLBH-KRWDZBQOSA-N 0 3 341.480 3.506 20 30 EHEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2Br)[C@H]2CCCO[C@@H]21 ZINC000451483080 1026029540 /nfs/dbraw/zinc/02/95/40/1026029540.db2.gz XHAJKPITGPGJBR-BMFZPTHFSA-N 0 3 349.272 3.614 20 30 EHEDHN Cc1ccc(C#N)c(Nc2cccc(N3CCN(C(C)C)CC3)c2)n1 ZINC000342543271 1026202251 /nfs/dbraw/zinc/20/22/51/1026202251.db2.gz LMHMUHAACFNUDY-UHFFFAOYSA-N 0 3 335.455 3.536 20 30 EHEDHN C=CC[C@@H](CO)NCc1ccccc1OCc1ccc(F)cc1F ZINC000657434230 1026300395 /nfs/dbraw/zinc/30/03/95/1026300395.db2.gz AWGVUWXQTIQDHK-KRWDZBQOSA-N 0 3 333.378 3.570 20 30 EHEDHN CC(C)[C@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000451796858 1026301616 /nfs/dbraw/zinc/30/16/16/1026301616.db2.gz ILLOLTSOHXVEQK-BBRMVZONSA-N 0 3 333.863 3.578 20 30 EHEDHN Cc1ccccc1C(=O)NC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186265990 1026391703 /nfs/dbraw/zinc/39/17/03/1026391703.db2.gz JDVIGTSXVRFMMD-UHFFFAOYSA-N 0 3 347.462 3.570 20 30 EHEDHN C=CCC[C@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000452174427 1026521580 /nfs/dbraw/zinc/52/15/80/1026521580.db2.gz QBJWLAJMTNOGPY-PXNSSMCTSA-N 0 3 326.484 3.679 20 30 EHEDHN COc1ccc(S[C@@H](C)C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000048789466 1026722470 /nfs/dbraw/zinc/72/24/70/1026722470.db2.gz BYSXVHNXBMLGJG-FZMZJTMJSA-N 0 3 332.450 3.817 20 30 EHEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1cccc(OC(F)F)c1 ZINC000342728267 1026872127 /nfs/dbraw/zinc/87/21/27/1026872127.db2.gz LZLMEMSCZVFKEB-GFCCVEGCSA-N 0 3 342.349 3.658 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2ccccc2-n2cccn2)cc1C#N ZINC000151857042 1026962297 /nfs/dbraw/zinc/96/22/97/1026962297.db2.gz XBBWMOSZTYXTOX-HNNXBMFYSA-N 0 3 332.407 3.603 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](CC2CC2)C1 ZINC000582732859 1027210715 /nfs/dbraw/zinc/21/07/15/1027210715.db2.gz KROMIRSENLDABX-WBVHZDCISA-N 0 3 332.513 3.773 20 30 EHEDHN CC(C)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1CC1 ZINC000532659111 1027444910 /nfs/dbraw/zinc/44/49/10/1027444910.db2.gz BSDQLVZXGXENGN-UHFFFAOYSA-N 0 3 333.863 3.707 20 30 EHEDHN C=CCCCN(C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000347336476 1027776958 /nfs/dbraw/zinc/77/69/58/1027776958.db2.gz VRWMWGWIFZSGLB-UHFFFAOYSA-N 0 3 326.440 3.706 20 30 EHEDHN C=CCSCCNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000237764864 1028105856 /nfs/dbraw/zinc/10/58/56/1028105856.db2.gz CWDOJDIWZVDVDT-MRXNPFEDSA-N 0 3 341.904 3.907 20 30 EHEDHN C=CCCC[C@@H](C)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000091513962 1028371340 /nfs/dbraw/zinc/37/13/40/1028371340.db2.gz UTHDDEDKVFECOP-IAGOWNOFSA-N 0 3 347.478 3.515 20 30 EHEDHN N#Cc1ccc([C@@H](NCC2(c3ccccc3)CCCCC2)C(N)=O)cc1 ZINC000523735127 1028578501 /nfs/dbraw/zinc/57/85/01/1028578501.db2.gz YDIHMFYJAZCNNR-HXUWFJFHSA-N 0 3 347.462 3.576 20 30 EHEDHN CC(C)Cc1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1 ZINC000424064426 1028782786 /nfs/dbraw/zinc/78/27/86/1028782786.db2.gz KBDLZNYMLMVHJU-RBUKOAKNSA-N 0 3 329.488 3.720 20 30 EHEDHN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@H](N)CCCC#N)c2)C1 ZINC000424104115 1028787327 /nfs/dbraw/zinc/78/73/27/1028787327.db2.gz GGQPZICCDSWADU-AYOQOUSVSA-N 0 3 343.471 3.742 20 30 EHEDHN CCC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424108966 1028805263 /nfs/dbraw/zinc/80/52/63/1028805263.db2.gz AEZAWRVQJCLWEJ-LSDHHAIUSA-N 0 3 342.270 3.972 20 30 EHEDHN N#Cc1ccc(CN2CCC(N[C@@H]3C[C@]3(F)c3ccccc3)CC2)cc1 ZINC000424181905 1028856168 /nfs/dbraw/zinc/85/61/68/1028856168.db2.gz DZEYSOJBFRHZIS-YADHBBJMSA-N 0 3 349.453 3.750 20 30 EHEDHN C=CCn1cc(CN[C@@H](C)CC(C)(C)c2c[nH]c3ccccc32)nn1 ZINC000424296627 1028935471 /nfs/dbraw/zinc/93/54/71/1028935471.db2.gz PAOGVXPMOZHWLT-HNNXBMFYSA-N 0 3 337.471 3.791 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cccc(Nc3ccccc3)c2)CC1 ZINC000522810444 1028979010 /nfs/dbraw/zinc/97/90/10/1028979010.db2.gz ZQFDZLDVIHZIOD-UHFFFAOYSA-N 0 3 335.451 3.810 20 30 EHEDHN COc1cc(CN[C@@H](C)c2cccc(-n3ccnc3)c2)ccc1C#N ZINC000440816760 1028993515 /nfs/dbraw/zinc/99/35/15/1028993515.db2.gz DWVLOQJKRHLSAH-HNNXBMFYSA-N 0 3 332.407 3.603 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000250214106 1029045286 /nfs/dbraw/zinc/04/52/86/1029045286.db2.gz ROHCJZFAHXWLFP-UYAOXDASSA-N 0 3 347.462 3.811 20 30 EHEDHN CC[C@H]1C[C@H](CN2CCN(c3ccc(C#N)cc3Cl)CC2)CCO1 ZINC000446919567 1029853158 /nfs/dbraw/zinc/85/31/58/1029853158.db2.gz UKOZTMCQMXPCOV-SJORKVTESA-N 0 3 347.890 3.539 20 30 EHEDHN COC[C@@H](NCCOc1ccccc1C#N)c1cccc(Cl)c1 ZINC000583529475 1030046259 /nfs/dbraw/zinc/04/62/59/1030046259.db2.gz MHRBJPMJCYVFLX-QGZVFWFLSA-N 0 3 330.815 3.568 20 30 EHEDHN C=CCC[C@H](NC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000458577426 1030057661 /nfs/dbraw/zinc/05/76/61/1030057661.db2.gz ORVRUICHIHGFRK-XLIONFOSSA-N 0 3 341.499 3.820 20 30 EHEDHN CC[C@H](C)CN(C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000532098088 1030396402 /nfs/dbraw/zinc/39/64/02/1030396402.db2.gz IMJCZVBAFWGAHH-AWEZNQCLSA-N 0 3 335.879 3.873 20 30 EHEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)c2ccccc21 ZINC000526136055 1030437260 /nfs/dbraw/zinc/43/72/60/1030437260.db2.gz UDXUIFHTUHCNRB-CYBMUJFWSA-N 0 3 341.842 3.706 20 30 EHEDHN Cc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000190620031 1030678665 /nfs/dbraw/zinc/67/86/65/1030678665.db2.gz OOFPLDAOERUJOO-UWJYYQICSA-N 0 3 347.462 3.627 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000190620006 1030679594 /nfs/dbraw/zinc/67/95/94/1030679594.db2.gz OOFPLDAOERUJOO-UTKZUKDTSA-N 0 3 347.462 3.627 20 30 EHEDHN N#Cc1ccc(OCCNCc2ccsc2C(F)(F)F)cc1 ZINC000527664030 1031091571 /nfs/dbraw/zinc/09/15/71/1031091571.db2.gz AKFZHIKNLCVEEZ-UHFFFAOYSA-N 0 3 326.343 3.807 20 30 EHEDHN CC(C)(COc1ncccc1C(F)(F)F)NCC#Cc1ccccc1 ZINC000484064891 1031447291 /nfs/dbraw/zinc/44/72/91/1031447291.db2.gz KFQJRJAGACCIPK-UHFFFAOYSA-N 0 3 348.368 3.899 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3cccc4c3OCC4)CC2)cc1 ZINC000527953623 1031486564 /nfs/dbraw/zinc/48/65/64/1031486564.db2.gz AECULMIWIOFSNB-UHFFFAOYSA-N 0 3 333.435 3.570 20 30 EHEDHN Cc1cc(C)c(C#N)c(NC2CCN([C@@H](C)c3ccncc3)CC2)n1 ZINC000584049409 1031563235 /nfs/dbraw/zinc/56/32/35/1031563235.db2.gz ZDVXSNBXCBOKSY-INIZCTEOSA-N 0 3 335.455 3.603 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](CCC)c2ccc(Cl)cc2)CC1 ZINC000668369355 1031885265 /nfs/dbraw/zinc/88/52/65/1031885265.db2.gz VKWMWKPSJLVKPP-GOSISDBHSA-N 0 3 334.891 3.990 20 30 EHEDHN C=CCN(C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)C1CC1 ZINC000537912029 1032010952 /nfs/dbraw/zinc/01/09/52/1032010952.db2.gz QWBVZEMMZNDRFQ-FQEVSTJZSA-N 0 3 341.499 3.820 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000594432689 1033368523 /nfs/dbraw/zinc/36/85/23/1033368523.db2.gz GACCVFMLNZBDJB-NHCUHLMSSA-N 0 3 347.462 3.724 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000594436247 1033375196 /nfs/dbraw/zinc/37/51/96/1033375196.db2.gz CBCHQPSLKNUQEU-GOSISDBHSA-N 0 3 328.460 3.781 20 30 EHEDHN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594437799 1033375366 /nfs/dbraw/zinc/37/53/66/1033375366.db2.gz FQQVWUMXXKSFJJ-AEFFLSMTSA-N 0 3 342.487 3.724 20 30 EHEDHN CC(=O)N1CC[C@@H](N[C@H]2CCc3cc(C#N)ccc32)c2ccccc21 ZINC000598680333 1033379807 /nfs/dbraw/zinc/37/98/07/1033379807.db2.gz XBEIXOCXYGIBON-VQTJNVASSA-N 0 3 331.419 3.633 20 30 EHEDHN CC1(C)CCc2ccccc2[C@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594456902 1033381144 /nfs/dbraw/zinc/38/11/44/1033381144.db2.gz UYRDGDNNYWVLTO-QZTJIDSGSA-N 0 3 327.472 3.618 20 30 EHEDHN Cc1cccc(C2(CNC(=O)[C@@H](N)CCCCC#N)CCCCC2)c1 ZINC000594426510 1033388255 /nfs/dbraw/zinc/38/82/55/1033388255.db2.gz DMXOLCJUVVIUJH-IBGZPJMESA-N 0 3 341.499 3.724 20 30 EHEDHN COC(=O)c1ccc2c(c1)[C@H](N[C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000594499761 1033401855 /nfs/dbraw/zinc/40/18/55/1033401855.db2.gz JAHCJVZJCHTSHG-NHCUHLMSSA-N 0 3 346.430 3.999 20 30 EHEDHN C[S@@](=O)Cc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594506475 1033407142 /nfs/dbraw/zinc/40/71/42/1033407142.db2.gz SSCVXOOHGOETIJ-XMMPIXPASA-N 0 3 340.492 3.656 20 30 EHEDHN C[C@@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)C(=O)N1c1ccccc1 ZINC000594511306 1033417406 /nfs/dbraw/zinc/41/74/06/1033417406.db2.gz FDDDTDMOBPTIQX-UZLBHIALSA-N 0 3 347.462 3.771 20 30 EHEDHN C[C@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)C(=O)N1c1ccccc1 ZINC000594511303 1033418069 /nfs/dbraw/zinc/41/80/69/1033418069.db2.gz FDDDTDMOBPTIQX-JXFKEZNVSA-N 0 3 347.462 3.771 20 30 EHEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000594518341 1033424401 /nfs/dbraw/zinc/42/44/01/1033424401.db2.gz PESLWCXNJNONBK-MRXNPFEDSA-N 0 3 347.462 3.990 20 30 EHEDHN COCc1cc(C#N)ccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000603276605 1033499032 /nfs/dbraw/zinc/49/90/32/1033499032.db2.gz QPKNRGLXFAUHLC-SFHVURJKSA-N 0 3 325.412 3.547 20 30 EHEDHN N#CCC[C@H](C#N)CNCC1(Cc2ccc(Br)cc2)CC1 ZINC000594732713 1033506407 /nfs/dbraw/zinc/50/64/07/1033506407.db2.gz XEWVYSYXCSUHSK-OAHLLOKOSA-N 0 3 346.272 3.805 20 30 EHEDHN N#CC1(c2ccc(CN[C@@]3(CO)CCCc4ccccc43)cc2)CC1 ZINC000594937991 1033586023 /nfs/dbraw/zinc/58/60/23/1033586023.db2.gz RPCVOHUXBWXRKP-JOCHJYFZSA-N 0 3 332.447 3.555 20 30 EHEDHN N#Cc1ccc(CNCc2ccc(O[C@H]3CCOC3)cc2)cc1Cl ZINC000594941605 1033588498 /nfs/dbraw/zinc/58/84/98/1033588498.db2.gz WXWBCWKLIGGCGL-SFHVURJKSA-N 0 3 342.826 3.669 20 30 EHEDHN N#Cc1ccc(CNCc2cccc(COC[C@H]3CCCO3)c2)cc1 ZINC000594997675 1033626202 /nfs/dbraw/zinc/62/62/02/1033626202.db2.gz AUQDDXLZASFBRX-OAQYLSRUSA-N 0 3 336.435 3.544 20 30 EHEDHN COCCN(CCCOc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000063754241 1033668938 /nfs/dbraw/zinc/66/89/38/1033668938.db2.gz QCRRNZOSZGYLNR-UHFFFAOYSA-N 0 3 342.414 3.615 20 30 EHEDHN Cc1csc([C@@H](C)NC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000599056303 1033696529 /nfs/dbraw/zinc/69/65/29/1033696529.db2.gz WPVRLKPMIOUCMF-OAHLLOKOSA-N 0 3 340.496 3.638 20 30 EHEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000595662265 1033940191 /nfs/dbraw/zinc/94/01/91/1033940191.db2.gz GTMPITGTKKHPRK-QZTJIDSGSA-N 0 3 342.487 3.594 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593101761 1033941639 /nfs/dbraw/zinc/94/16/39/1033941639.db2.gz STUKPZIMNMELCG-OLZOCXBDSA-N 0 3 326.318 3.553 20 30 EHEDHN N#Cc1ccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000609018150 1033997020 /nfs/dbraw/zinc/99/70/20/1033997020.db2.gz QVVPANMGRKFDHQ-HXUWFJFHSA-N 0 3 333.435 3.515 20 30 EHEDHN N#Cc1cccc(NC(=O)CN2CCC[C@H]2CCc2ccccc2)c1 ZINC000603895469 1034016910 /nfs/dbraw/zinc/01/69/10/1034016910.db2.gz DJAOWXGEQOHSCA-FQEVSTJZSA-N 0 3 333.435 3.594 20 30 EHEDHN N#CC(C(=O)c1ccc(Cn2cccn2)cc1)c1nc(C2CC2)cs1 ZINC000647375471 1034072919 /nfs/dbraw/zinc/07/29/19/1034072919.db2.gz ZTZMTZXQWRCADK-MRXNPFEDSA-N 0 3 348.431 3.755 20 30 EHEDHN CCCCCNC(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000188235738 1034083999 /nfs/dbraw/zinc/08/39/99/1034083999.db2.gz PMDRLTIBWJSFMO-INIZCTEOSA-N 0 3 327.472 3.638 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000255710725 1034247453 /nfs/dbraw/zinc/24/74/53/1034247453.db2.gz JSCVJCORUAQARI-TUNPGAEXSA-N 0 3 326.440 3.699 20 30 EHEDHN C=CC1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604202464 1034264465 /nfs/dbraw/zinc/26/44/65/1034264465.db2.gz FLWTUIKSYBFLDE-FQEVSTJZSA-N 0 3 341.499 3.821 20 30 EHEDHN C[C@H]1CCCC[C@@H]1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000604482183 1034387362 /nfs/dbraw/zinc/38/73/62/1034387362.db2.gz FKDMFQBNZKFGQW-FXAWDEMLSA-N 0 3 341.499 3.665 20 30 EHEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)Cc1ccc2c(c1)OCCO2 ZINC000596980962 1034479688 /nfs/dbraw/zinc/47/96/88/1034479688.db2.gz YEVYXIZYEYLJLB-UHFFFAOYSA-N 0 3 334.419 3.645 20 30 EHEDHN C=CC[C@H](C)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000604880331 1034543834 /nfs/dbraw/zinc/54/38/34/1034543834.db2.gz XKDUHJZENPYSPN-YOEHRIQHSA-N 0 3 340.389 3.522 20 30 EHEDHN C=CCN1CCC(NC(=O)NCCCc2ccc(C(C)C)cc2)CC1 ZINC000604919358 1034552632 /nfs/dbraw/zinc/55/26/32/1034552632.db2.gz UWPLUBAPRRWSDQ-UHFFFAOYSA-N 0 3 343.515 3.692 20 30 EHEDHN CCCCCCOCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000171698518 1034562246 /nfs/dbraw/zinc/56/22/46/1034562246.db2.gz HBHMALGMACTNGG-HNNXBMFYSA-N 0 3 336.819 3.584 20 30 EHEDHN COC(=O)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000597153633 1034567137 /nfs/dbraw/zinc/56/71/37/1034567137.db2.gz KUSCMFIMUROROG-IBGZPJMESA-N 0 3 338.382 3.651 20 30 EHEDHN CCc1ccc(C)nc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000597184163 1034588980 /nfs/dbraw/zinc/58/89/80/1034588980.db2.gz LUKNQDLJXKFATQ-UHFFFAOYSA-N 0 3 334.467 3.901 20 30 EHEDHN CC(C)(C)OC(=O)CCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000597199214 1034603551 /nfs/dbraw/zinc/60/35/51/1034603551.db2.gz QAHKSMJRVLBGPD-UHFFFAOYSA-N 0 3 334.485 3.954 20 30 EHEDHN N#CC(C(=O)CC[C@H]1CCc2ccccc21)C(=O)NCc1ccccc1 ZINC000892485287 1034779506 /nfs/dbraw/zinc/77/95/06/1034779506.db2.gz WYFVDVWFJOICJJ-QUCCMNQESA-N 0 3 346.430 3.522 20 30 EHEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000605740698 1034823521 /nfs/dbraw/zinc/82/35/21/1034823521.db2.gz RPSYPOWPVLQJCP-CYBMUJFWSA-N 0 3 339.277 3.524 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000605754951 1034823844 /nfs/dbraw/zinc/82/38/44/1034823844.db2.gz BQQZXEODSMKHAB-WMZOPIPTSA-N 0 3 332.463 3.503 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCC1CCCCC1 ZINC000065931161 1034955796 /nfs/dbraw/zinc/95/57/96/1034955796.db2.gz PNENCGOSQKJZRH-UHFFFAOYSA-N 0 3 341.499 3.809 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000431725782 1035373988 /nfs/dbraw/zinc/37/39/88/1035373988.db2.gz OHRLXTULUZXITL-VQIMIIECSA-N 0 3 348.450 3.824 20 30 EHEDHN C#CCN(C(=O)N[C@H](CC(C)C)c1ccccc1)C1CCN(C)CC1 ZINC000913910229 1035774791 /nfs/dbraw/zinc/77/47/91/1035774791.db2.gz VLZPZKVZIXZUCC-HXUWFJFHSA-N 0 3 341.499 3.513 20 30 EHEDHN C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)N1CCc2ccccc2C1 ZINC000129663682 1036212763 /nfs/dbraw/zinc/21/27/63/1036212763.db2.gz YUZSDZOBEKFMBI-BRABVMKYSA-N 0 3 345.446 3.806 20 30 EHEDHN C[C@@H](NC[C@]1(C)OCCc2sccc21)c1ccc(C#N)cc1F ZINC000589349661 1036366535 /nfs/dbraw/zinc/36/65/35/1036366535.db2.gz LQDUGVWUBQQOEO-XIKOKIGWSA-N 0 3 330.428 3.898 20 30 EHEDHN CN(C)c1cccc(CN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000610368842 1036465945 /nfs/dbraw/zinc/46/59/45/1036465945.db2.gz VNPMDOQPWVVUKW-UHFFFAOYSA-N 0 3 335.451 3.668 20 30 EHEDHN C[C@H](CCC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000541622052 1036511101 /nfs/dbraw/zinc/51/11/01/1036511101.db2.gz LPNSIFLYCVCMNQ-QGZVFWFLSA-N 0 3 343.515 3.911 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc(C3CC3)nc3ccc(C)cc32)CC1 ZINC000176780072 1036693189 /nfs/dbraw/zinc/69/31/89/1036693189.db2.gz ZWHZCAVSBILRSC-UHFFFAOYSA-N 0 3 349.478 3.801 20 30 EHEDHN Cc1cc([C@@H](NCC(=O)NC2(C#N)CCCCC2)C2CC2)ccc1F ZINC000539424265 1036745009 /nfs/dbraw/zinc/74/50/09/1036745009.db2.gz MPOOYWBCPOXOCE-IBGZPJMESA-N 0 3 343.446 3.518 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2C2CCC2)c1C ZINC000102950153 1036809403 /nfs/dbraw/zinc/80/94/03/1036809403.db2.gz NTRPPFUOVLKPME-HXUWFJFHSA-N 0 3 339.483 3.815 20 30 EHEDHN C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000171584753 1036928850 /nfs/dbraw/zinc/92/88/50/1036928850.db2.gz DRHROWCJSDEPMI-HNNXBMFYSA-N 0 3 343.471 3.683 20 30 EHEDHN CC[C@@H]1c2ccsc2CCN1CCC(=O)Nc1ccccc1C#N ZINC000054428221 1037004645 /nfs/dbraw/zinc/00/46/45/1037004645.db2.gz BYAJSHPCCVMYQA-QGZVFWFLSA-N 0 3 339.464 3.958 20 30 EHEDHN C=C(C)COc1cc(CNCc2ccc(OC)cc2)ccc1OC ZINC000057958724 1037315492 /nfs/dbraw/zinc/31/54/92/1037315492.db2.gz UZMLCDWCRULKEA-UHFFFAOYSA-N 0 3 327.424 3.949 20 30 EHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cnn(Cc2ccccc2)c1 ZINC000181154927 1037443355 /nfs/dbraw/zinc/44/33/55/1037443355.db2.gz VOUNLBLHPGDXQE-KRWDZBQOSA-N 0 3 346.434 3.533 20 30 EHEDHN CC(C)N(Cc1ccc(C#N)cc1Br)C1CCOCC1 ZINC000181177422 1037449612 /nfs/dbraw/zinc/44/96/12/1037449612.db2.gz WDAHLXNZQKJWKY-UHFFFAOYSA-N 0 3 337.261 3.710 20 30 EHEDHN C#C[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Cl)cc1 ZINC000491670995 1037613653 /nfs/dbraw/zinc/61/36/53/1037613653.db2.gz PTAHYOYWWOFNEG-GOSISDBHSA-N 0 3 342.826 3.502 20 30 EHEDHN Cc1nn(-c2ccncc2)cc1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000591839145 1037646833 /nfs/dbraw/zinc/64/68/33/1037646833.db2.gz ZCIGZPBOUGJDDA-INIZCTEOSA-N 0 3 331.423 3.640 20 30 EHEDHN Cc1cccc(C2(NCC(=O)N(CCC#N)c3ccccc3)CCC2)c1 ZINC000592146030 1037848044 /nfs/dbraw/zinc/84/80/44/1037848044.db2.gz KOCJLVCTZNWFJY-UHFFFAOYSA-N 0 3 347.462 3.911 20 30 EHEDHN COc1ccc2c(c1)OC[C@@H]2CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000760969332 1037955914 /nfs/dbraw/zinc/95/59/14/1037955914.db2.gz UDXXITBESXWPDL-SWLSCSKDSA-N 0 3 348.358 3.579 20 30 EHEDHN C=CC[C@@H](C)N[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000539070356 1038670326 /nfs/dbraw/zinc/67/03/26/1038670326.db2.gz FNQVMWXCGXFMGW-NEPJUHHUSA-N 0 3 349.276 3.953 20 30 EHEDHN C=CC[C@H](C)N[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000539070357 1038670707 /nfs/dbraw/zinc/67/07/07/1038670707.db2.gz FNQVMWXCGXFMGW-NWDGAFQWSA-N 0 3 349.276 3.953 20 30 EHEDHN C[C@@H]1C[C@H](NC(=O)Nc2cccc(CC#N)c2)CN1Cc1ccccc1 ZINC000455919678 1038713009 /nfs/dbraw/zinc/71/30/09/1038713009.db2.gz MLGMTQBPQYEIJT-UZLBHIALSA-N 0 3 348.450 3.537 20 30 EHEDHN C=CCCC[C@H](C)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000539248065 1038741942 /nfs/dbraw/zinc/74/19/42/1038741942.db2.gz HTFWQZOCFMRZFJ-KRWDZBQOSA-N 0 3 340.471 3.599 20 30 EHEDHN C=CCC[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccco1 ZINC000552251398 1039130386 /nfs/dbraw/zinc/13/03/86/1039130386.db2.gz VNNRHJVMHMFCLU-DYVFJYSZSA-N 0 3 337.366 3.595 20 30 EHEDHN N#CC(C(=O)c1c[nH]c(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000429583261 1039147121 /nfs/dbraw/zinc/14/71/21/1039147121.db2.gz APTCNUSVLFNWGZ-SECBINFHSA-N 0 3 347.218 3.937 20 30 EHEDHN Cc1ccc(C)c([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000488465480 1039206427 /nfs/dbraw/zinc/20/64/27/1039206427.db2.gz OISJOLNJAXMCHN-LAUBAEHRSA-N 0 3 347.462 3.627 20 30 EHEDHN C=CCn1cccc1C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000488501831 1039228541 /nfs/dbraw/zinc/22/85/41/1039228541.db2.gz RFUYZZDJAHAEQR-KRWDZBQOSA-N 0 3 331.485 3.549 20 30 EHEDHN Cc1ccccc1[C@H](C(C)C)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000488799764 1039413565 /nfs/dbraw/zinc/41/35/65/1039413565.db2.gz QUTYLHMCXPQFHN-QFIPXVFZSA-N 0 3 349.478 3.812 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@@H]2CC[C@H](C)C2)c1 ZINC000429586757 1039429175 /nfs/dbraw/zinc/42/91/75/1039429175.db2.gz CTJWYZZJYOHNOD-MAUKXSAKSA-N 0 3 327.472 3.671 20 30 EHEDHN CC(C)[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000054667667 1039459682 /nfs/dbraw/zinc/45/96/82/1039459682.db2.gz WGGRHOMITCPKTP-QZTJIDSGSA-N 0 3 335.879 3.681 20 30 EHEDHN CC(C)c1cccc(OCC(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000128183792 1039543253 /nfs/dbraw/zinc/54/32/53/1039543253.db2.gz VODZVRKCRSMRGO-SFHVURJKSA-N 0 3 336.391 3.536 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000912084821 1039666528 /nfs/dbraw/zinc/66/65/28/1039666528.db2.gz ZDFKATMVGUJREA-SFHVURJKSA-N 0 3 345.487 3.612 20 30 EHEDHN N#CCC[C@@H](NC[C@@H](O)COc1cccc2[nH]ccc21)c1ccccc1 ZINC000553054672 1039738364 /nfs/dbraw/zinc/73/83/64/1039738364.db2.gz NGIYWDFSSGIZIO-IEBWSBKVSA-N 0 3 349.434 3.542 20 30 EHEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C(=O)N(C)C)cc1 ZINC000417370647 1039742819 /nfs/dbraw/zinc/74/28/19/1039742819.db2.gz SMRMEYIETRRYIM-YCRPNKLZSA-N 0 3 347.462 3.988 20 30 EHEDHN COc1ccc(CN(C)CCOc2ccccc2C#N)cc1Cl ZINC000489253082 1039773924 /nfs/dbraw/zinc/77/39/24/1039773924.db2.gz HIVFNGRGBAJBBG-UHFFFAOYSA-N 0 3 330.815 3.731 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccccc1C(=O)N(C)C ZINC000417718560 1040186686 /nfs/dbraw/zinc/18/66/86/1040186686.db2.gz OLONRXIDWIWYNW-UHFFFAOYSA-N 0 3 335.451 3.672 20 30 EHEDHN C=CCc1cc(CN2CCC([C@H]3CCCCO3)CC2)cc(OC)c1O ZINC000668628099 1040204917 /nfs/dbraw/zinc/20/49/17/1040204917.db2.gz POEMDGZUXWZWHY-LJQANCHMSA-N 0 3 345.483 3.910 20 30 EHEDHN C[C@@H](N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(C#N)cc1F ZINC000512620421 1040284409 /nfs/dbraw/zinc/28/44/09/1040284409.db2.gz QJQAYQUMEJFNPU-OCCSQVGLSA-N 0 3 345.368 3.905 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000433011953 1040423775 /nfs/dbraw/zinc/42/37/75/1040423775.db2.gz IBBFCDCGKRVSGG-INIZCTEOSA-N 0 3 342.830 3.698 20 30 EHEDHN COc1cccc([C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)N(C)C)c1 ZINC000512669250 1040468159 /nfs/dbraw/zinc/46/81/59/1040468159.db2.gz ZLABJHIPVNTQPY-VBKZILBWSA-N 0 3 341.430 3.659 20 30 EHEDHN C[C@H](NC(=O)CN[C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433033002 1040514751 /nfs/dbraw/zinc/51/47/51/1040514751.db2.gz CNENUJGHLGWPIE-PXNSSMCTSA-N 0 3 335.451 3.889 20 30 EHEDHN C#CCCCCCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000760656595 1041129345 /nfs/dbraw/zinc/12/93/45/1041129345.db2.gz YGSQYXMQWPKAMO-FQEVSTJZSA-N 0 3 326.484 3.693 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)SC)cc1 ZINC000156361186 1041163465 /nfs/dbraw/zinc/16/34/65/1041163465.db2.gz BISXBDGQVJFOCA-ZENOOKHLSA-N 0 3 332.469 3.989 20 30 EHEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@](C)(OC)C1CC1 ZINC000411958687 1041191988 /nfs/dbraw/zinc/19/19/88/1041191988.db2.gz XIYFYQUMYWIPHG-LIRRHRJNSA-N 0 3 348.512 3.696 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)c2csc(C)c2)CC1 ZINC000645213021 1041427485 /nfs/dbraw/zinc/42/74/85/1041427485.db2.gz ZUGKHPALLXVCDQ-KRWDZBQOSA-N 0 3 335.517 3.847 20 30 EHEDHN N#Cc1ccc2ncc(CN3CC[C@H](c4ccc(Cl)cc4)C3)n2c1 ZINC000125374736 1041977618 /nfs/dbraw/zinc/97/76/18/1041977618.db2.gz YRSLMMNHNJQBDA-INIZCTEOSA-N 0 3 336.826 3.849 20 30 EHEDHN C=CCN(CC(=O)NCc1cccc(COC(C)C)c1)C(C)(C)C ZINC000661756401 1042309006 /nfs/dbraw/zinc/30/90/06/1042309006.db2.gz NHRPGFDDOSCWIS-UHFFFAOYSA-N 0 3 332.488 3.514 20 30 EHEDHN CCCSCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000125598793 1042413568 /nfs/dbraw/zinc/41/35/68/1042413568.db2.gz BOJHBGCKZCTOBX-GFCCVEGCSA-N 0 3 345.251 3.784 20 30 EHEDHN COc1ccc([C@H](NCc2ccc(C3(C#N)CC3)cc2)C2CC2)cn1 ZINC000599019496 1042497775 /nfs/dbraw/zinc/49/77/75/1042497775.db2.gz DYNWZKLPWHITFH-HXUWFJFHSA-N 0 3 333.435 3.886 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)CC2CCCC2)c1 ZINC000344225079 1043474406 /nfs/dbraw/zinc/47/44/06/1043474406.db2.gz RJOQEXALMAVPDC-UHFFFAOYSA-N 0 3 327.472 3.672 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000344353653 1043720845 /nfs/dbraw/zinc/72/08/45/1043720845.db2.gz CUAFYSIHPNDZTQ-LPHOPBHVSA-N 0 3 348.450 3.651 20 30 EHEDHN N#Cc1ccc(CNCCNc2ncc(Cl)cc2Cl)c(F)c1 ZINC000344445599 1044006351 /nfs/dbraw/zinc/00/63/51/1044006351.db2.gz XRQOZNIUMFWOML-UHFFFAOYSA-N 0 3 339.201 3.601 20 30 EHEDHN COc1cccc(CNCCOc2ccc(C#N)cc2)c1OC(C)C ZINC000344577465 1044142717 /nfs/dbraw/zinc/14/27/17/1044142717.db2.gz JPOJANMMZQQDSO-UHFFFAOYSA-N 0 3 340.423 3.523 20 30 EHEDHN C=CCOc1ccccc1CNC[C@@](C)(O)c1ccccc1Cl ZINC000764982044 1127562040 /nfs/dbraw/zinc/56/20/40/1127562040.db2.gz FDWHUWYKFFWPRF-LJQANCHMSA-N 0 3 331.843 3.902 20 30 EHEDHN C=CCOc1ccccc1CNC[C@](C)(O)c1cccc(Cl)c1 ZINC000764981379 1127562149 /nfs/dbraw/zinc/56/21/49/1127562149.db2.gz YBQDMPRRKIQGAZ-IBGZPJMESA-N 0 3 331.843 3.902 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000106038064 1128479517 /nfs/dbraw/zinc/47/95/17/1128479517.db2.gz AHMVQRFKDWJQMV-UHFFFAOYSA-N 0 3 341.480 3.580 20 30 EHEDHN CN(CCNc1ccc2cc(C#N)ccc2n1)Cc1ccc(F)cc1 ZINC000301976464 1128613653 /nfs/dbraw/zinc/61/36/53/1128613653.db2.gz MJPKJYIWPSLESY-UHFFFAOYSA-N 0 3 334.398 3.789 20 30 EHEDHN COc1cccc([C@@H](CNc2cc(C#N)nc3ccccc32)N(C)C)c1 ZINC000301366948 1128587693 /nfs/dbraw/zinc/58/76/93/1128587693.db2.gz SOMUGIMCJPHMMZ-OAQYLSRUSA-N 0 3 346.434 3.830 20 30 EHEDHN Cc1ccc(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)nc1C#N ZINC000302772145 1128647050 /nfs/dbraw/zinc/64/70/50/1128647050.db2.gz NFEBYUMWCAZGCS-INIZCTEOSA-N 0 3 348.372 3.995 20 30 EHEDHN N#Cc1ccnc(NC2CCN(Cc3ccccc3)CC2)c1Cl ZINC000303947322 1128709292 /nfs/dbraw/zinc/70/92/92/1128709292.db2.gz SLMAKIFJHPLNDE-UHFFFAOYSA-N 0 3 326.831 3.683 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)c(OC(F)F)c1 ZINC000494484039 1120570363 /nfs/dbraw/zinc/57/03/63/1120570363.db2.gz JMLUHFIQLGHQTM-AEFFLSMTSA-N 0 3 344.361 3.779 20 30 EHEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](CC)[C@@H]1CCCCO1 ZINC000653880553 1120612987 /nfs/dbraw/zinc/61/29/87/1120612987.db2.gz NTMNSSSLHALRCC-RDJZCZTQSA-N 0 3 348.512 3.841 20 30 EHEDHN C=CCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000195717683 1120810812 /nfs/dbraw/zinc/81/08/12/1120810812.db2.gz PEWIGTBHHSGPON-LJQANCHMSA-N 0 3 338.451 3.593 20 30 EHEDHN CC[C@@H](C/N=C\c1cccc(OC)c1O)N1CCc2ccccc2C1 ZINC000914701255 1120955450 /nfs/dbraw/zinc/95/54/50/1120955450.db2.gz CKPQAFBLDYKLML-CVHFWEDTSA-N 0 3 338.451 3.657 20 30 EHEDHN C[C@@H](NC[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(C#N)cc1F ZINC000495281162 1121036217 /nfs/dbraw/zinc/03/62/17/1121036217.db2.gz JZKWTPRDUPIQDG-PXAZEXFGSA-N 0 3 347.434 3.651 20 30 EHEDHN C[C@H](C[C@@H](O)c1ccco1)NCc1cc(C#N)ccc1Br ZINC000921951715 1128964790 /nfs/dbraw/zinc/96/47/90/1128964790.db2.gz XGLLTPOQFVGMSF-IAQYHMDHSA-N 0 3 349.228 3.516 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1nc2ccccc2o1 ZINC000915100472 1121188006 /nfs/dbraw/zinc/18/80/06/1121188006.db2.gz RPGMHHMCLVLFNG-CYBMUJFWSA-N 0 3 344.374 3.524 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2ccccc2Cl)CC1 ZINC000171740990 1121696298 /nfs/dbraw/zinc/69/62/98/1121696298.db2.gz SHRIXICRRQGEGI-CQSZACIVSA-N 0 3 335.879 3.693 20 30 EHEDHN N#Cc1ccc([C@@H](O)CNCc2ccccc2OC2CCCC2)cc1 ZINC000763229795 1121914504 /nfs/dbraw/zinc/91/45/04/1121914504.db2.gz CIDZKHQMVFEXOE-FQEVSTJZSA-N 0 3 336.435 3.703 20 30 EHEDHN C#CC[C@H](CC(F)(F)F)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496148305 1121978616 /nfs/dbraw/zinc/97/86/16/1121978616.db2.gz SLIYQPQNSNXCEM-TZMCWYRMSA-N 0 3 340.345 3.638 20 30 EHEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000917100596 1122500075 /nfs/dbraw/zinc/50/00/75/1122500075.db2.gz SHHPFVQKIKCGBH-ILXRZTDVSA-N 0 3 341.480 3.983 20 30 EHEDHN C=CCN(CC=C)[C@H](CNc1cc(C(C)=O)ccc1C#N)C(C)C ZINC000498899661 1123102529 /nfs/dbraw/zinc/10/25/29/1123102529.db2.gz HCHFMXFMCULGFP-HXUWFJFHSA-N 0 3 325.456 3.871 20 30 EHEDHN C=CCN1CC[C@H](N[C@@H](Cc2ccccc2)c2sccc2C)C1=O ZINC000499624117 1129106933 /nfs/dbraw/zinc/10/69/33/1129106933.db2.gz HNQYRDBYBJBNIM-ROUUACIJSA-N 0 3 340.492 3.717 20 30 EHEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CC(C)(C)OC1(C)C ZINC000132607968 1123257287 /nfs/dbraw/zinc/25/72/87/1123257287.db2.gz JDNHUVZSZWXBRU-MRXNPFEDSA-N 0 3 348.512 3.839 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000610132267 1123738984 /nfs/dbraw/zinc/73/89/84/1123738984.db2.gz KJXWMACVOBTHEQ-ZDUSSCGKSA-N 0 3 346.377 3.917 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180918632 1124101752 /nfs/dbraw/zinc/10/17/52/1124101752.db2.gz BALKBXRGGDKDSB-QZTJIDSGSA-N 0 3 349.478 3.988 20 30 EHEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247967454 1124632018 /nfs/dbraw/zinc/63/20/18/1124632018.db2.gz DXMRNMNJZWBBEI-NHCUHLMSSA-N 0 3 349.478 3.830 20 30 EHEDHN C[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1cccc(C#N)c1 ZINC000181545715 1124927034 /nfs/dbraw/zinc/92/70/34/1124927034.db2.gz RJSFQBLYFQWDCQ-INIZCTEOSA-N 0 3 333.435 3.531 20 30 EHEDHN C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)c1cccc(C#N)c1 ZINC000181545735 1124933267 /nfs/dbraw/zinc/93/32/67/1124933267.db2.gz RJSFQBLYFQWDCQ-MRXNPFEDSA-N 0 3 333.435 3.531 20 30 EHEDHN COc1ccc(Br)c(CNCCc2cccc(C#N)c2)c1 ZINC000466425078 1129441801 /nfs/dbraw/zinc/44/18/01/1129441801.db2.gz ZJYPMALALLTSQI-UHFFFAOYSA-N 0 3 345.240 3.662 20 30 EHEDHN CO[C@@H]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000091772724 1129523252 /nfs/dbraw/zinc/52/32/52/1129523252.db2.gz BHLQNFGAVMAYSI-OAQYLSRUSA-N 0 3 336.435 3.748 20 30 EHEDHN Cc1ccc(CNCc2ccc(OC[C@H]3CCCO3)cc2)cc1C#N ZINC000922759114 1129653247 /nfs/dbraw/zinc/65/32/47/1129653247.db2.gz LQCJEEVEEFFDBZ-OAQYLSRUSA-N 0 3 336.435 3.714 20 30 EHEDHN COCCCCN(Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000156337007 1129711578 /nfs/dbraw/zinc/71/15/78/1129711578.db2.gz MXWSOJLCRKCUHG-UHFFFAOYSA-N 0 3 338.451 3.996 20 30 EHEDHN C=CCOc1ccccc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000509096622 1129742140 /nfs/dbraw/zinc/74/21/40/1129742140.db2.gz HTDMIXDNFXWEJC-UHFFFAOYSA-N 0 3 347.462 3.835 20 30 EHEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1CC1CCC(C#N)CC1 ZINC001168750162 1129935502 /nfs/dbraw/zinc/93/55/02/1129935502.db2.gz IQESUTPHGAAGCZ-NUWOQIAWSA-N 0 3 335.492 3.646 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000172396042 1130129848 /nfs/dbraw/zinc/12/98/48/1130129848.db2.gz NPHJDOXPJNQGQX-IAGOWNOFSA-N 0 3 339.483 3.590 20 30 EHEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000730122828 1130677903 /nfs/dbraw/zinc/67/79/03/1130677903.db2.gz VHRUBXFKYNIZDH-AEFFLSMTSA-N 0 3 335.536 3.789 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCOc2ccc(OC)cc2)c([O-])c1 ZINC000730547076 1130718773 /nfs/dbraw/zinc/71/87/73/1130718773.db2.gz MJYMFPWXFNXNCC-QNGOZBTKSA-N 0 3 342.439 3.745 20 30 EHEDHN N#CC(C(=O)C[C@H]1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000732596069 1130937541 /nfs/dbraw/zinc/93/75/41/1130937541.db2.gz IXBPEWFWFPTBCS-KXBFYZLASA-N 0 3 332.403 3.529 20 30 EHEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2nccnc2Cl)ccc1[O-] ZINC000733080695 1130989123 /nfs/dbraw/zinc/98/91/23/1130989123.db2.gz XBVZQJGYGQXRBW-UHFFFAOYSA-N 0 3 347.850 3.514 20 30 EHEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H](C)C(C)C ZINC000741788506 1131647728 /nfs/dbraw/zinc/64/77/28/1131647728.db2.gz VQCCKHYXILFLHL-UONOGXRCSA-N 0 3 329.469 3.839 20 30 EHEDHN CC1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000741804842 1131652299 /nfs/dbraw/zinc/65/22/99/1131652299.db2.gz MMSDNDZEIFBIKR-AWEZNQCLSA-N 0 3 341.480 3.985 20 30 EHEDHN CC(C)OC(=O)CC[C@@H](C)N1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001172771973 1131841704 /nfs/dbraw/zinc/84/17/04/1131841704.db2.gz ARNOJKAVDVMLMY-AEFFLSMTSA-N 0 3 344.455 3.522 20 30 EHEDHN Cc1cccc(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172981390 1131926033 /nfs/dbraw/zinc/92/60/33/1131926033.db2.gz VUJIYZIVLLGADG-MSOLQXFVSA-N 0 3 343.471 3.719 20 30 EHEDHN N#CCC1CCC(NCC(=O)c2ccc(Br)cc2)CC1 ZINC001173323789 1132047245 /nfs/dbraw/zinc/04/72/45/1132047245.db2.gz AJTQERVORCJDNE-UHFFFAOYSA-N 0 3 335.245 3.694 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2C1CCC(C)(C#N)CC1 ZINC001173593703 1132098341 /nfs/dbraw/zinc/09/83/41/1132098341.db2.gz LZDRTOKOALGVHB-YJTLQXIOSA-N 0 3 333.476 3.543 20 30 EHEDHN CC1(C#N)CCC(N2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC001173596321 1132098899 /nfs/dbraw/zinc/09/88/99/1132098899.db2.gz RYNQKNGUPAUWOF-UHFFFAOYSA-N 0 3 340.496 3.891 20 30 EHEDHN CC(C)(NCC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCCO1 ZINC001175530600 1132701437 /nfs/dbraw/zinc/70/14/37/1132701437.db2.gz DORVUTBSQAUOEM-INIZCTEOSA-N 0 3 341.373 3.874 20 30 EHEDHN CCN1CCN(Cc2ccc(Nc3cc(F)cc(C#N)c3)cc2)CC1 ZINC001175685437 1132738163 /nfs/dbraw/zinc/73/81/63/1132738163.db2.gz RYXIVEGFNWHGKL-UHFFFAOYSA-N 0 3 338.430 3.578 20 30 EHEDHN CC(=O)N1CC[C@H](N(Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)C1 ZINC001169560315 1132786653 /nfs/dbraw/zinc/78/66/53/1132786653.db2.gz LNNCHASFTXUYTH-VGSWGCGISA-N 0 3 347.462 3.742 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@]2(C)CCO[C@@H]2C2CC2)c([O-])c1 ZINC000767336427 1132983499 /nfs/dbraw/zinc/98/34/99/1132983499.db2.gz FACATIWWUXEHTK-ZXRHXNHJSA-N 0 3 330.472 3.863 20 30 EHEDHN CCCN1CCN(c2ccccc2CN(CCC#N)CC(C)C)CC1 ZINC000768153652 1133102508 /nfs/dbraw/zinc/10/25/08/1133102508.db2.gz IEXPMEUQCLUZJY-UHFFFAOYSA-N 0 3 342.531 3.590 20 30 EHEDHN C#CCOc1ccccc1CN1CCC(OCc2ccccc2)CC1 ZINC000768213914 1133113363 /nfs/dbraw/zinc/11/33/63/1133113363.db2.gz AVHIRRUYBVTNDQ-UHFFFAOYSA-N 0 3 335.447 3.880 20 30 EHEDHN CC#CC[C@@H](CO)NCc1ccccc1Oc1ccc(C)cc1OC ZINC001179054464 1133223136 /nfs/dbraw/zinc/22/31/36/1133223136.db2.gz TYHBTSXYADWMFP-SFHVURJKSA-N 0 3 339.435 3.660 20 30 EHEDHN COc1ccc(CNCc2ccc3c(c2)COC(C)(C)O3)cc1C#N ZINC000769530298 1133309554 /nfs/dbraw/zinc/30/95/54/1133309554.db2.gz DUWKOXOFQBTCHH-UHFFFAOYSA-N 0 3 338.407 3.502 20 30 EHEDHN CCOC(=O)CC(C)(C)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC001180133304 1133329130 /nfs/dbraw/zinc/32/91/30/1133329130.db2.gz TUUIBBJCVBKTKT-UHFFFAOYSA-N 0 3 326.440 3.627 20 30 EHEDHN C[C@H]1CCOCCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000769786635 1133345695 /nfs/dbraw/zinc/34/56/95/1133345695.db2.gz LWXMUMNGZKQRIM-IBGZPJMESA-N 0 3 334.463 3.997 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(N(C)C)c(F)c2)n1 ZINC000770140873 1133392645 /nfs/dbraw/zinc/39/26/45/1133392645.db2.gz ILIIGRNSZXSIIE-GFCCVEGCSA-N 0 3 331.416 3.962 20 30 EHEDHN CCC(CC)(CNC(=O)OC(C)(C)C)NCC#Cc1ccccc1 ZINC001180686139 1133407111 /nfs/dbraw/zinc/40/71/11/1133407111.db2.gz BEKYLAAHRWNMJQ-UHFFFAOYSA-N 0 3 330.472 3.711 20 30 EHEDHN CCCC(=CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CCC ZINC000770669899 1133456986 /nfs/dbraw/zinc/45/69/86/1133456986.db2.gz UJORCWAQKZLZCZ-UHFFFAOYSA-N 0 3 341.499 3.975 20 30 EHEDHN CC[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000774265730 1133649926 /nfs/dbraw/zinc/64/99/26/1133649926.db2.gz GVOYCHXUMPLLJM-NHCUHLMSSA-N 0 3 347.462 3.790 20 30 EHEDHN C#CCOc1ccccc1-c1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 ZINC000785584880 1133723106 /nfs/dbraw/zinc/72/31/06/1133723106.db2.gz QZPKHUKVINEBDI-KKUMJFAQSA-N 0 3 325.412 3.682 20 30 EHEDHN N#C[C@@H](OC(=O)c1cccc(CN2CCCC2)c1)C1CCCCC1 ZINC000785720783 1133741803 /nfs/dbraw/zinc/74/18/03/1133741803.db2.gz MSVLVCALYRULCO-LJQANCHMSA-N 0 3 326.440 3.912 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCC2CCCC2)c1 ZINC000786549719 1133873695 /nfs/dbraw/zinc/87/36/95/1133873695.db2.gz SCLNZHUKIOHJAD-GOSISDBHSA-N 0 3 326.440 3.681 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000787040649 1133941916 /nfs/dbraw/zinc/94/19/16/1133941916.db2.gz MDAJDMROSSFFFT-PVAVHDDUSA-N 0 3 338.407 3.668 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000787066347 1133945284 /nfs/dbraw/zinc/94/52/84/1133945284.db2.gz LAMYUKBGMBUUPU-SJORKVTESA-N 0 3 326.440 3.570 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nc(Br)ccc1F ZINC000788799227 1134170697 /nfs/dbraw/zinc/17/06/97/1134170697.db2.gz CRBICIGVFHAGGY-RWSFTLGLSA-N 0 3 343.240 3.615 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](COC)Cc2ccccc2)c([O-])c1 ZINC000746817151 1134273452 /nfs/dbraw/zinc/27/34/52/1134273452.db2.gz WWKHUEFKSNJOGT-QTCOBDOFSA-N 0 3 340.467 3.915 20 30 EHEDHN COc1ccc(F)cc1[C@H](C)NCCCOc1ccc(C#N)cc1 ZINC000775144799 1134385557 /nfs/dbraw/zinc/38/55/57/1134385557.db2.gz WFKDHZSJNDKTCX-AWEZNQCLSA-N 0 3 328.387 3.826 20 30 EHEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@H]3CCCN(C)[C@H]3C2)c1 ZINC001189268175 1134565655 /nfs/dbraw/zinc/56/56/55/1134565655.db2.gz WKYUYFSHZKJHJC-MJGOQNOKSA-N 0 3 341.499 3.690 20 30 EHEDHN COc1ccc(O)c([C@@H](C)NCc2cc(Cl)ccc2OCC#N)c1 ZINC000775375166 1134687830 /nfs/dbraw/zinc/68/78/30/1134687830.db2.gz JDRDZAZRTGRYGL-GFCCVEGCSA-N 0 3 346.814 3.807 20 30 EHEDHN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC001194682846 1135305722 /nfs/dbraw/zinc/30/57/22/1135305722.db2.gz HDUIMCZGNUKRBS-QINHECLXSA-N 0 3 333.435 3.763 20 30 EHEDHN C=CCN(C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)C(C)C ZINC000747305184 1135386357 /nfs/dbraw/zinc/38/63/57/1135386357.db2.gz JGVKMLWHVDMXCE-LJQANCHMSA-N 0 3 329.488 3.738 20 30 EHEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC001195947124 1135498686 /nfs/dbraw/zinc/49/86/86/1135498686.db2.gz QOTPSBKFZDXCMI-MSOLQXFVSA-N 0 3 341.499 3.902 20 30 EHEDHN C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000807402066 1135542296 /nfs/dbraw/zinc/54/22/96/1135542296.db2.gz XYSGBOLSNNDNDV-RXVVDRJESA-N 0 3 349.478 3.523 20 30 EHEDHN CC[C@H]1[C@H](C)CCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000775783805 1135724780 /nfs/dbraw/zinc/72/47/80/1135724780.db2.gz VPDIGEQSNLMSIX-APWZRJJASA-N 0 3 327.472 3.671 20 30 EHEDHN C#C[C@@H](NCCOC(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000775794135 1135747509 /nfs/dbraw/zinc/74/75/09/1135747509.db2.gz PGBLZUPCRKNMKX-RTWAWAEBSA-N 0 3 335.447 3.563 20 30 EHEDHN C#C[C@@H](NCc1cc(Br)c(OC)c(OCC)c1)C(C)C ZINC000809685887 1135871929 /nfs/dbraw/zinc/87/19/29/1135871929.db2.gz XVCKDKQPBKAKME-CQSZACIVSA-N 0 3 340.261 3.604 20 30 EHEDHN C#C[C@H](NCc1ccc(OC)c(OCc2cccnc2)c1)C(C)(C)C ZINC000809781289 1135890302 /nfs/dbraw/zinc/89/03/02/1135890302.db2.gz NSNKJWGGWVPEHK-FQEVSTJZSA-N 0 3 338.451 3.807 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccccc1)C1CCCCC1 ZINC000776005200 1135919022 /nfs/dbraw/zinc/91/90/22/1135919022.db2.gz CQTKNWUASAQXRG-LAUBAEHRSA-N 0 3 341.499 3.906 20 30 EHEDHN CN(C)c1ccncc1C=[NH+][N-]c1cc(C(F)(F)F)ccc1F ZINC000776188033 1136022309 /nfs/dbraw/zinc/02/23/09/1136022309.db2.gz SHASWAZIYJFHJO-UHFFFAOYSA-N 0 3 326.297 3.752 20 30 EHEDHN Cc1cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cnc1C#N ZINC001201474289 1136032419 /nfs/dbraw/zinc/03/24/19/1136032419.db2.gz DOKYGKWTQLVEGR-UXHICEINSA-N 0 3 330.435 3.994 20 30 EHEDHN CCCCCCCCCCN1CCCn2cnc(CNC(C)=O)c2C1 ZINC001201874722 1136071780 /nfs/dbraw/zinc/07/17/80/1136071780.db2.gz DPCBIPVCCUACBH-UHFFFAOYSA-N 0 3 348.535 3.866 20 30 EHEDHN C#CCCOc1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000811519447 1136098198 /nfs/dbraw/zinc/09/81/98/1136098198.db2.gz XOLDEIDHAWLDPK-PMACEKPBSA-N 0 3 325.452 3.622 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2sccc2SC(F)F)CC1 ZINC000107256398 1136164101 /nfs/dbraw/zinc/16/41/01/1136164101.db2.gz HMIZOTAXYMDCDE-UHFFFAOYSA-N 0 3 346.468 3.833 20 30 EHEDHN COc1cccc(O)c1/C=N\C[C@H](c1cccs1)N1CCCC1 ZINC000812396405 1136204050 /nfs/dbraw/zinc/20/40/50/1136204050.db2.gz RWNDWDGCKVBWHM-VUFYJBQKSA-N 0 3 330.453 3.718 20 30 EHEDHN CC(C)CCO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813213077 1136303003 /nfs/dbraw/zinc/30/30/03/1136303003.db2.gz HOIKQYVZKLFXAG-AAEUAGOBSA-N 0 3 328.334 3.728 20 30 EHEDHN CC(C)(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(C#N)c1 ZINC000852354220 1136451511 /nfs/dbraw/zinc/45/15/11/1136451511.db2.gz LXCFELYYECJLHF-HXUWFJFHSA-N 0 3 347.462 3.574 20 30 EHEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000852781601 1136486551 /nfs/dbraw/zinc/48/65/51/1136486551.db2.gz MNOPSYNOOBLKLJ-CABCVRRESA-N 0 3 349.434 3.561 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1 ZINC000815149802 1136562804 /nfs/dbraw/zinc/56/28/04/1136562804.db2.gz ALXOMULJDZQXSA-INIZCTEOSA-N 0 3 349.409 3.874 20 30 EHEDHN CC1(C)Cc2c(cnn2-c2ccccc2)CN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000854062005 1136584752 /nfs/dbraw/zinc/58/47/52/1136584752.db2.gz ROHPWKSMIDKIFW-QFBILLFUSA-N 0 3 334.467 3.949 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2ccccc2C)c([O-])c1 ZINC000112224047 1136615180 /nfs/dbraw/zinc/61/51/80/1136615180.db2.gz APPAPANZFDSWFB-DZSVRRGNSA-N 0 3 326.440 3.699 20 30 EHEDHN C=CC[C@@H](CO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815601379 1136616986 /nfs/dbraw/zinc/61/69/86/1136616986.db2.gz USEUVJNIAFMXMC-QUCCMNQESA-N 0 3 325.452 3.840 20 30 EHEDHN C[C@H]1[C@@H](OC(=O)c2ccc(C#N)cc2)CCCN1Cc1ccccc1 ZINC000816469298 1136719052 /nfs/dbraw/zinc/71/90/52/1136719052.db2.gz VRRJEXXMNLCQLG-JXFKEZNVSA-N 0 3 334.419 3.768 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc(OC)cc(OC)c2)c1 ZINC000113961155 1136762271 /nfs/dbraw/zinc/76/22/71/1136762271.db2.gz MAQKIUGJABGGCB-QGZVFWFLSA-N 0 3 340.423 3.675 20 30 EHEDHN C[C@@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)c1ccnn1C ZINC000817713798 1136834486 /nfs/dbraw/zinc/83/44/86/1136834486.db2.gz WAGJEZNIMICTJW-KOLCDFICSA-N 0 3 344.827 3.663 20 30 EHEDHN N#CCC1CCN([C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170879330 1136839863 /nfs/dbraw/zinc/83/98/63/1136839863.db2.gz OTEZYPCMGVRUFD-QGZVFWFLSA-N 0 3 333.273 3.932 20 30 EHEDHN Cc1ccc(O[C@H]2CCN(Cc3ccc(C4(C#N)CC4)cc3)C2)nc1 ZINC000858013035 1136930887 /nfs/dbraw/zinc/93/08/87/1136930887.db2.gz GDTZMMJHAAYQSX-IBGZPJMESA-N 0 3 333.435 3.599 20 30 EHEDHN FC(F)(F)[C@@H]1C=C(NNc2cc(Cl)nc(Cl)c2)CCO1 ZINC000819828525 1136963593 /nfs/dbraw/zinc/96/35/93/1136963593.db2.gz GUCFWMFPKWJMGD-QMMMGPOBSA-N 0 3 328.121 3.898 20 30 EHEDHN C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccc(C#N)cc1F ZINC000858589620 1136980999 /nfs/dbraw/zinc/98/09/99/1136980999.db2.gz RGZKUKWDGVUETF-GDZNZVCISA-N 0 3 347.434 3.746 20 30 EHEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000860468962 1137061755 /nfs/dbraw/zinc/06/17/55/1137061755.db2.gz GVCGDCFZFMBPLW-IAGOWNOFSA-N 0 3 344.455 3.664 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(OCC)c(OCC)c2)cc1 ZINC000824926805 1137157920 /nfs/dbraw/zinc/15/79/20/1137157920.db2.gz VFJZWHNCTZZXKL-UHFFFAOYSA-N 0 3 339.435 3.786 20 30 EHEDHN N#Cc1ccccc1O[C@H]1CCCN(Cc2ccc3c(c2)COC3)C1 ZINC001137028216 1137175446 /nfs/dbraw/zinc/17/54/46/1137175446.db2.gz FUPVNNXKYLDDSW-FQEVSTJZSA-N 0 3 334.419 3.632 20 30 EHEDHN N#Cc1cccc(Cl)c1CN1CCCN(Cc2ccccc2)CC1 ZINC001143724621 1137194058 /nfs/dbraw/zinc/19/40/58/1137194058.db2.gz YKEUIUMQBIAADZ-UHFFFAOYSA-N 0 3 339.870 3.920 20 30 EHEDHN O=C1C=C2CN(Cc3c(F)ccc(Cl)c3Cl)CCC2S1 ZINC001143855314 1137206510 /nfs/dbraw/zinc/20/65/10/1137206510.db2.gz SYHLYJFNWSXSDN-GFCCVEGCSA-N 0 3 332.227 3.907 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)NCC(=O)c1ccc(C(F)(F)F)cc1 ZINC001171189902 1137296749 /nfs/dbraw/zinc/29/67/49/1137296749.db2.gz NXOVYBFOHRVPEC-ZDUSSCGKSA-N 0 3 346.352 3.981 20 30 EHEDHN N#Cc1ccc2c(c1)C[C@H](NCc1cscc1Br)C2 ZINC000865849105 1137316325 /nfs/dbraw/zinc/31/63/25/1137316325.db2.gz XZFSEJBWTRFNQW-CQSZACIVSA-N 0 3 333.254 3.639 20 30 EHEDHN C#CCOc1ccccc1CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016592 1137326410 /nfs/dbraw/zinc/32/64/10/1137326410.db2.gz YPMREAYTYGFDSR-UHFFFAOYSA-N 0 3 327.321 3.565 20 30 EHEDHN Cc1nc([C@@H](C)NC2CCN(c3ccccc3C#N)CC2)c(C)s1 ZINC000866448177 1137355636 /nfs/dbraw/zinc/35/56/36/1137355636.db2.gz ASEAYNXZVIHZHU-CYBMUJFWSA-N 0 3 340.496 3.951 20 30 EHEDHN Cc1csc([C@H](C)NC2CCN(c3ccccc3C#N)CC2)n1 ZINC000866448906 1137355754 /nfs/dbraw/zinc/35/57/54/1137355754.db2.gz NMLHZIVEOAAPPL-AWEZNQCLSA-N 0 3 326.469 3.643 20 30 EHEDHN CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1c(C)nn(C)c1C ZINC000772958418 1137378612 /nfs/dbraw/zinc/37/86/12/1137378612.db2.gz GONIIFHQHLULNQ-ACJLOTCBSA-N 0 3 326.444 3.741 20 30 EHEDHN CC[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccc(C)cc1 ZINC000121864926 1137387499 /nfs/dbraw/zinc/38/74/99/1137387499.db2.gz HJLGYXWKHJZXDU-DOTOQJQBSA-N 0 3 335.407 3.621 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)COC2(C)CCC2)cc1 ZINC000772972662 1137389475 /nfs/dbraw/zinc/38/94/75/1137389475.db2.gz VKHGXWLICSXQJN-KRWDZBQOSA-N 0 3 342.439 3.636 20 30 EHEDHN COC(=O)c1cccc(CNC(C)(C)Cc2ccc(C)cc2)c1C#N ZINC001171298589 1137401513 /nfs/dbraw/zinc/40/15/13/1137401513.db2.gz UKRXNYRQHOQXJF-UHFFFAOYSA-N 0 3 336.435 3.764 20 30 EHEDHN C#CC[C@H](N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000773113223 1137466649 /nfs/dbraw/zinc/46/66/49/1137466649.db2.gz CLIVEGBOYONOQV-AJSBUHFISA-N 0 3 348.490 3.630 20 30 EHEDHN N#CC(C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)c1nc2ccccc2[nH]1 ZINC000870117040 1137477527 /nfs/dbraw/zinc/47/75/27/1137477527.db2.gz UDLXSXFPEXNLKJ-IZGVIRRGSA-N 0 3 335.407 3.525 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC001172303607 1137545456 /nfs/dbraw/zinc/54/54/56/1137545456.db2.gz FFSLUFGCTGFPEW-MRXNPFEDSA-N 0 3 339.870 3.965 20 30 EHEDHN C#C[C@H]1CC[C@H](N[C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000872139555 1137573810 /nfs/dbraw/zinc/57/38/10/1137573810.db2.gz LYJVXYXRKCQZRU-GVXVVHGQSA-N 0 3 325.225 3.826 20 30 EHEDHN CC(C)OC1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCC1 ZINC000873531968 1137601769 /nfs/dbraw/zinc/60/17/69/1137601769.db2.gz ABLDFKPQMFNFFQ-LBPRGKRZSA-N 0 3 326.318 3.624 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000876687562 1137659084 /nfs/dbraw/zinc/65/90/84/1137659084.db2.gz KVZXZAQPTXMIRC-XUJVJEKNSA-N 0 3 329.271 3.760 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000876698106 1137659293 /nfs/dbraw/zinc/65/92/93/1137659293.db2.gz LQFSVPOJSKSFIV-INIZCTEOSA-N 0 3 342.817 3.706 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000876696262 1137659353 /nfs/dbraw/zinc/65/93/53/1137659353.db2.gz RRKUQYKYYZDQII-MRXNPFEDSA-N 0 3 349.862 3.614 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2SCCc3ccccc32)c1 ZINC000877073307 1137669597 /nfs/dbraw/zinc/66/95/97/1137669597.db2.gz HYLQFDPHDWRLSE-INIZCTEOSA-N 0 3 329.856 3.727 20 30 EHEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000877336436 1137674540 /nfs/dbraw/zinc/67/45/40/1137674540.db2.gz MOXSUHHYQUVQMK-SJORKVTESA-N 0 3 345.805 3.756 20 30 EHEDHN CO[C@]1(C)C[C@H](N(C)CC[C@@](C#N)(C(C)=O)c2ccccc2)C1(C)C ZINC000878152068 1137704563 /nfs/dbraw/zinc/70/45/63/1137704563.db2.gz FTYRUPJPRBLERN-CEWLAPEOSA-N 0 3 342.483 3.562 20 30 EHEDHN N#CCc1ccc(CN2CCC(c3nc(C4CCC4)no3)CC2)cc1 ZINC000879551402 1137750588 /nfs/dbraw/zinc/75/05/88/1137750588.db2.gz BHISZBKMXQVYES-UHFFFAOYSA-N 0 3 336.439 3.783 20 30 EHEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccc(C(F)(F)F)nc1 ZINC000880097987 1137768081 /nfs/dbraw/zinc/76/80/81/1137768081.db2.gz JEIBMROQCJTYHC-GFCCVEGCSA-N 0 3 335.329 3.702 20 30 EHEDHN CN(Cc1ccc(N(C)CCC#N)cc1)Cc1ccc(F)c(F)c1 ZINC000130463816 1137837628 /nfs/dbraw/zinc/83/76/28/1137837628.db2.gz JVAJESWWDGBOHB-UHFFFAOYSA-N 0 3 329.394 3.947 20 30 EHEDHN CCN(Cc1ccccc1C)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131051628 1137845770 /nfs/dbraw/zinc/84/57/70/1137845770.db2.gz KDYNBZDGXNTCJR-UHFFFAOYSA-N 0 3 345.450 3.913 20 30 EHEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000332415006 1137943267 /nfs/dbraw/zinc/94/32/67/1137943267.db2.gz PVWCBSQVWCZBET-UHFFFAOYSA-N 0 3 330.476 3.761 20 30 EHEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072561466 1138105560 /nfs/dbraw/zinc/10/55/60/1138105560.db2.gz IGJDZDSUXACVNO-HUUCEWRRSA-N 0 3 331.485 3.751 20 30 EHEDHN C[C@@H](CC(=O)N1CCCCCC1)N[C@@H](CCC#N)c1ccccc1 ZINC000090664578 1138212351 /nfs/dbraw/zinc/21/23/51/1138212351.db2.gz SQOGYZRDKYDNDT-HKUYNNGSSA-N 0 3 327.472 3.802 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000126515634 1138332288 /nfs/dbraw/zinc/33/22/88/1138332288.db2.gz HSCJCQMDOKSEAW-MSOLQXFVSA-N 0 3 341.499 3.527 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(n2c(C)ccc2C)CC1 ZINC000337692247 1138644914 /nfs/dbraw/zinc/64/49/14/1138644914.db2.gz VNRZXLHEUHNDLX-GOSISDBHSA-N 0 3 331.504 3.555 20 30 EHEDHN CC#CCCCCCCCC(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001274163353 1138731969 /nfs/dbraw/zinc/73/19/69/1138731969.db2.gz FXRRECKTTCZATQ-UHFFFAOYSA-N 0 3 330.516 3.827 20 30 EHEDHN CN(C)C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000338403553 1138893824 /nfs/dbraw/zinc/89/38/24/1138893824.db2.gz BISZMQXZKANQLE-KRWDZBQOSA-N 0 3 342.830 3.636 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173790512 1139378809 /nfs/dbraw/zinc/37/88/09/1139378809.db2.gz XCIWCPWUEIVHAR-HOTGVXAUSA-N 0 3 339.414 3.812 20 30 EHEDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000174374297 1139417115 /nfs/dbraw/zinc/41/71/15/1139417115.db2.gz KGRLQBSJWUWPHX-HNNXBMFYSA-N 0 3 337.423 3.503 20 30 EHEDHN C[C@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)CN1C1CC1 ZINC000177089504 1139597665 /nfs/dbraw/zinc/59/76/65/1139597665.db2.gz AQMBJJYRTPGHES-DOTOQJQBSA-N 0 3 345.446 3.580 20 30 EHEDHN CC(C)Oc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000181517886 1139912210 /nfs/dbraw/zinc/91/22/10/1139912210.db2.gz VOLXAJZNNOQLJL-OAHLLOKOSA-N 0 3 325.412 3.622 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H](CCC#N)c2ccccc2)C1 ZINC000183350131 1140031703 /nfs/dbraw/zinc/03/17/03/1140031703.db2.gz KMYIQXRIMXKWNF-SJORKVTESA-N 0 3 329.444 3.630 20 30 EHEDHN C=CCN1CCC(NC(=O)CC2(CSc3ccccc3)CC2)CC1 ZINC000184429754 1140102073 /nfs/dbraw/zinc/10/20/73/1140102073.db2.gz GPENONYFDVILGL-UHFFFAOYSA-N 0 3 344.524 3.716 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000268006135 1140865800 /nfs/dbraw/zinc/86/58/00/1140865800.db2.gz JDFKISBXPBFKBP-IBGZPJMESA-N 0 3 345.462 3.713 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(OCC#N)cc1 ZINC000271453912 1141371010 /nfs/dbraw/zinc/37/10/10/1141371010.db2.gz ISOPZEUPVXJJBO-GJZGRUSLSA-N 0 3 349.434 3.520 20 30 EHEDHN CC1(C)CCCc2cc(C#N)c(N3CCN(C4CCCC4)CC3)nc21 ZINC001165033167 721862002 /nfs/dbraw/zinc/86/20/02/721862002.db2.gz FUVUXHGXKLPFJS-UHFFFAOYSA-N 0 3 338.499 3.632 20 30 EHEDHN C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573341960 947535398 /nfs/dbraw/zinc/53/53/98/947535398.db2.gz RWOPKEGPKUEIEZ-INIZCTEOSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573341960 947535403 /nfs/dbraw/zinc/53/54/03/947535403.db2.gz RWOPKEGPKUEIEZ-INIZCTEOSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573341960 947535410 /nfs/dbraw/zinc/53/54/10/947535410.db2.gz RWOPKEGPKUEIEZ-INIZCTEOSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573341960 947535413 /nfs/dbraw/zinc/53/54/13/947535413.db2.gz RWOPKEGPKUEIEZ-INIZCTEOSA-N 0 3 333.439 3.658 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(C)cc(C(F)(F)F)c2)CC1 ZINC000683089312 1014260716 /nfs/dbraw/zinc/26/07/16/1014260716.db2.gz KLNQFQGOVCSXFB-UHFFFAOYSA-N 0 3 341.377 3.786 20 30 EHEDHN CC(C)(C)c1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000430189903 1014711728 /nfs/dbraw/zinc/71/17/28/1014711728.db2.gz ZUYJFWOKQBHDMX-OAHLLOKOSA-N 0 3 341.480 3.966 20 30 EHEDHN CC(C)O[C@@H](C(=O)C(C#N)c1nc2ccccc2n1C)c1ccccc1 ZINC000796709223 1014850176 /nfs/dbraw/zinc/85/01/76/1014850176.db2.gz XLWMAMONWCTIEF-OXJNMPFZSA-N 0 3 347.418 3.916 20 30 EHEDHN COc1cccc([C@@H](CNc2c(C#N)cnc3ccccc32)N(C)C)c1 ZINC000097393459 1015024383 /nfs/dbraw/zinc/02/43/83/1015024383.db2.gz OHABMYIIMHZFND-HXUWFJFHSA-N 0 3 346.434 3.830 20 30 EHEDHN N#CC(C(=O)C=Cc1ccc(Cl)s1)c1nnc2n1CCCCC2 ZINC000255029674 1015844503 /nfs/dbraw/zinc/84/45/03/1015844503.db2.gz IJMDUQIYVWDCCM-SMYYYNMVSA-N 0 3 346.843 3.609 20 30 EHEDHN Cc1cccc2c1ncc(C#N)c2NC[C@H](c1ccsc1)N(C)C ZINC000610245777 1016048325 /nfs/dbraw/zinc/04/83/25/1016048325.db2.gz GPGBWVPPZROMOA-QGZVFWFLSA-N 0 3 336.464 3.613 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000189243704 1016497772 /nfs/dbraw/zinc/49/77/72/1016497772.db2.gz RQNPCDYGYHPHMS-SJORKVTESA-N 0 3 339.483 3.590 20 30 EHEDHN CCCN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC001167206385 1016582264 /nfs/dbraw/zinc/58/22/64/1016582264.db2.gz PKBGUXFWUKRMMR-FQEVSTJZSA-N 0 3 333.435 3.896 20 30 EHEDHN CN(CCC#N)C(=O)CCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000376649198 1016951409 /nfs/dbraw/zinc/95/14/09/1016951409.db2.gz QSACZPWSKZDIHK-QGZVFWFLSA-N 0 3 333.863 3.629 20 30 EHEDHN CCN(CC)[C@H](CNc1c(C#N)cnc2c(C)cccc21)c1ccco1 ZINC000610274217 1032330008 /nfs/dbraw/zinc/33/00/08/1032330008.db2.gz SNGAHTAWIQQEGV-GOSISDBHSA-N 0 3 348.450 3.925 20 30 EHEDHN CCOc1cc(/C=C2/C(=O)c3ncnn3C2C)ccc1OCC(C)C ZINC000905082907 1032334658 /nfs/dbraw/zinc/33/46/58/1032334658.db2.gz YIBZFNTVTUHVCE-MGMWDDNKSA-N 0 3 341.411 3.553 20 30 EHEDHN COc1cccc(-c2noc([C@@H](C)NC3CCC(C)(C#N)CC3)n2)c1 ZINC000449279637 1032399101 /nfs/dbraw/zinc/39/91/01/1032399101.db2.gz RTACBGDUHJKLDI-VZDIAYEVSA-N 0 3 340.427 3.868 20 30 EHEDHN CC(C)(C)c1nnc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)[n-]1 ZINC000459688806 1032417289 /nfs/dbraw/zinc/41/72/89/1032417289.db2.gz YRFYSAKYWPRQJB-UHFFFAOYSA-N 0 3 337.471 3.596 20 30 EHEDHN N#Cc1c(F)cccc1CN[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602015568 1032581746 /nfs/dbraw/zinc/58/17/46/1032581746.db2.gz MZFWLOWAWAVPBS-VQIMIIECSA-N 0 3 328.362 3.846 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000449465385 1032615376 /nfs/dbraw/zinc/61/53/76/1032615376.db2.gz CPQJREDJTCKLOY-OIISXLGYSA-N 0 3 338.373 3.702 20 30 EHEDHN N#Cc1cc(F)ccc1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000377124204 1017354290 /nfs/dbraw/zinc/35/42/90/1017354290.db2.gz DCXPUMABWBNVLY-HKBOAZHASA-N 0 3 336.410 3.702 20 30 EHEDHN C=CCc1cc(CNCc2cccc3c2CCCN3)cc(OC)c1O ZINC000415039172 1017442657 /nfs/dbraw/zinc/44/26/57/1017442657.db2.gz QMESSJSNZKAIBO-UHFFFAOYSA-N 0 3 338.451 3.777 20 30 EHEDHN CC(C)C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000341032167 1017900339 /nfs/dbraw/zinc/90/03/39/1017900339.db2.gz DHQOKPUKVGMODF-HXUWFJFHSA-N 0 3 335.451 3.551 20 30 EHEDHN CCCCCC(=O)NC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000275515586 1017937299 /nfs/dbraw/zinc/93/72/99/1017937299.db2.gz DHPZSHPDRJYQFK-INIZCTEOSA-N 0 3 327.472 3.780 20 30 EHEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)c(F)c(C)c1)C2 ZINC001143379739 1018247389 /nfs/dbraw/zinc/24/73/89/1018247389.db2.gz VHEGGJWLOJKDLS-UYAOXDASSA-N 0 3 333.447 3.769 20 30 EHEDHN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415586429 1018256961 /nfs/dbraw/zinc/25/69/61/1018256961.db2.gz VSMSJLXMOGXSBF-YOEHRIQHSA-N 0 3 345.487 3.773 20 30 EHEDHN CC[C@@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447546103 1018577522 /nfs/dbraw/zinc/57/75/22/1018577522.db2.gz YYSBQDGPPWFPKW-WOJBJXKFSA-N 0 3 335.451 3.819 20 30 EHEDHN C=CCN(CCOc1ccccc1OC)Cc1ccc(OC)cc1 ZINC000614354716 1018834351 /nfs/dbraw/zinc/83/43/51/1018834351.db2.gz ADWNICPXINFCIW-UHFFFAOYSA-N 0 3 327.424 3.771 20 30 EHEDHN C=CCN(CC(=O)NCc1ccc(CC)s1)CC1CCCCC1 ZINC001167387197 1019218542 /nfs/dbraw/zinc/21/85/42/1019218542.db2.gz QBUPUPMZARPLAJ-UHFFFAOYSA-N 0 3 334.529 3.995 20 30 EHEDHN CC[C@H](N[C@H]1CCN(Cc2ccc(C)cc2)C1=O)c1ccc(C#N)cc1 ZINC000278773903 1032898510 /nfs/dbraw/zinc/89/85/10/1032898510.db2.gz PJAUAIUROXVORT-SFTDATJTSA-N 0 3 347.462 3.709 20 30 EHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(COc2ccccc2)n1 ZINC000280717413 1020604083 /nfs/dbraw/zinc/60/40/83/1020604083.db2.gz URPBGFWNDAVYNF-DNVCBOLYSA-N 0 3 344.480 3.793 20 30 EHEDHN COc1ccc(CN2CC[C@@H](COCc3ccccc3)C2)cc1C#N ZINC000135103284 1020766534 /nfs/dbraw/zinc/76/65/34/1020766534.db2.gz IAQZZUMVLJDLPR-LJQANCHMSA-N 0 3 336.435 3.606 20 30 EHEDHN C#CCC1(N[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCC1 ZINC000933298215 1021034634 /nfs/dbraw/zinc/03/46/34/1021034634.db2.gz BWOVQYXBRXUEAT-LLVKDONJSA-N 0 3 325.239 3.856 20 30 EHEDHN CCCCCCCC(=O)N1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001270134526 1021284538 /nfs/dbraw/zinc/28/45/38/1021284538.db2.gz OCTKRQAEORUGEH-HXUWFJFHSA-N 0 3 346.519 3.585 20 30 EHEDHN Cc1ccc(OC(F)F)c(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602570130 1032981033 /nfs/dbraw/zinc/98/10/33/1032981033.db2.gz VGEHARFFGMDLID-AWEZNQCLSA-N 0 3 338.398 3.785 20 30 EHEDHN CC(C)[C@@H](NC1CCC(C#N)CC1)c1nc(-c2cccnc2)no1 ZINC000602591708 1032991359 /nfs/dbraw/zinc/99/13/59/1032991359.db2.gz CEGJDVRRWWEHDQ-AVVWSFFYSA-N 0 3 325.416 3.501 20 30 EHEDHN CC(C)Oc1ccc(CC[C@H](C)NCc2nc(C#N)cs2)cc1 ZINC000519729657 1021638540 /nfs/dbraw/zinc/63/85/40/1021638540.db2.gz VXZWYNYAGNOWNR-AWEZNQCLSA-N 0 3 329.469 3.913 20 30 EHEDHN Cc1cccc(CN(CC(=O)N[C@](C)(C#N)C(C)C)CC(C)C)c1 ZINC000520173526 1021987480 /nfs/dbraw/zinc/98/74/80/1021987480.db2.gz OFVCSMSHYIGGEC-HXUWFJFHSA-N 0 3 329.488 3.508 20 30 EHEDHN CC#CCCNCc1ccccc1OCc1ccc(C(=O)OC)cc1 ZINC000437787038 1022139423 /nfs/dbraw/zinc/13/94/23/1022139423.db2.gz JUCWFNQRJKILKR-UHFFFAOYSA-N 0 3 337.419 3.555 20 30 EHEDHN CCOc1ccccc1CN1CCN(CCCC(C)(C)C#N)[C@@H](C)C1 ZINC000441390660 1022208164 /nfs/dbraw/zinc/20/81/64/1022208164.db2.gz YBQOZZWFLMKSQO-SFHVURJKSA-N 0 3 343.515 3.921 20 30 EHEDHN C=CCN(Cc1ccc(Br)cc1NC(C)=O)C(C)C ZINC000891675317 1022280674 /nfs/dbraw/zinc/28/06/74/1022280674.db2.gz SFBWHOPERYVOCQ-UHFFFAOYSA-N 0 3 325.250 3.804 20 30 EHEDHN COc1cc(OC)cc(C2(F)CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000550078664 1022338570 /nfs/dbraw/zinc/33/85/70/1022338570.db2.gz DIEDQUNONOTAOS-ZBFHGGJFSA-N 0 3 332.419 3.657 20 30 EHEDHN C=CCCCCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000473667060 1022430784 /nfs/dbraw/zinc/43/07/84/1022430784.db2.gz ZPFUPSOTRGWLIK-UHFFFAOYSA-N 0 3 347.528 3.756 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H](O)C2CCCCC2)C1 ZINC000328606204 1022449277 /nfs/dbraw/zinc/44/92/77/1022449277.db2.gz KFWBNQZKIFDVPT-AYOQOUSVSA-N 0 3 330.472 3.720 20 30 EHEDHN C#C[C@@H](NCc1ccc(Br)cc1NC(C)=O)C(C)(C)C ZINC000894517971 1022454707 /nfs/dbraw/zinc/45/47/07/1022454707.db2.gz SYPKMEGOBIJPLK-OAHLLOKOSA-N 0 3 337.261 3.545 20 30 EHEDHN CC(C)(C)[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000330745229 1022665839 /nfs/dbraw/zinc/66/58/39/1022665839.db2.gz VMSOZOVCXQKTEZ-GOSISDBHSA-N 0 3 327.472 3.706 20 30 EHEDHN Cc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000506244448 1022698572 /nfs/dbraw/zinc/69/85/72/1022698572.db2.gz AWNWIFYWMASLOE-UHFFFAOYSA-N 0 3 337.442 3.714 20 30 EHEDHN COCCN(Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000507153866 1023160731 /nfs/dbraw/zinc/16/07/31/1023160731.db2.gz FWNNVJFMKMJIAV-UHFFFAOYSA-N 0 3 336.435 3.748 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@]2(c3cccc(C)c3)C[C@@H]2CC)CC1 ZINC000507185025 1023167328 /nfs/dbraw/zinc/16/73/28/1023167328.db2.gz YDXQBRKVFTTYTE-LAUBAEHRSA-N 0 3 341.499 3.570 20 30 EHEDHN CCN(CCC#N)C(=O)CNC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000341749602 1023255458 /nfs/dbraw/zinc/25/54/58/1023255458.db2.gz BXQAGINIDPXSRB-UHFFFAOYSA-N 0 3 329.488 3.571 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000255414778 1023499733 /nfs/dbraw/zinc/49/97/33/1023499733.db2.gz AYUHJYQVVQZRMU-VFAFIFLJSA-N 0 3 330.403 3.530 20 30 EHEDHN C=CCOc1ccccc1CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000092754800 1023500379 /nfs/dbraw/zinc/50/03/79/1023500379.db2.gz UUORRPRLMDZZIM-KRWDZBQOSA-N 0 3 344.499 3.624 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000187688689 1023831739 /nfs/dbraw/zinc/83/17/39/1023831739.db2.gz IFGKLRYAVGLHFM-INIZCTEOSA-N 0 3 339.483 3.780 20 30 EHEDHN C=CCC[C@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccco1 ZINC000514086050 1024117894 /nfs/dbraw/zinc/11/78/94/1024117894.db2.gz YSCJODCRTBHYMH-UXHICEINSA-N 0 3 340.467 3.778 20 30 EHEDHN COCC[C@@H]1CCCCN(CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000329810568 1024205215 /nfs/dbraw/zinc/20/52/15/1024205215.db2.gz QULOKCVQHVSHPW-FUHWJXTLSA-N 0 3 346.471 3.605 20 30 EHEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(F)cc1Cl ZINC000330241619 1024369392 /nfs/dbraw/zinc/36/93/92/1024369392.db2.gz FTDAJLGGXMHTGZ-ULKVUYOBSA-N 0 3 326.799 3.613 20 30 EHEDHN C=C[C@@](C)(CC)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000474149041 1024416716 /nfs/dbraw/zinc/41/67/16/1024416716.db2.gz GHWYYLNHPOXPDX-FQEVSTJZSA-N 0 3 329.488 3.758 20 30 EHEDHN C[C@H](NCc1ccc(Cn2cccn2)cc1)c1ccc(C#N)c(F)c1 ZINC000346158087 1024458867 /nfs/dbraw/zinc/45/88/67/1024458867.db2.gz HLVCOKVQBFPQDX-HNNXBMFYSA-N 0 3 334.398 3.793 20 30 EHEDHN Cc1cccc([C@@H](C)N[C@@H]2CCN(c3sccc3C#N)C2=O)c1C ZINC000434879150 1024477756 /nfs/dbraw/zinc/47/77/56/1024477756.db2.gz WSYIEBMBMIQHTM-RHSMWYFYSA-N 0 3 339.464 3.693 20 30 EHEDHN COc1cccc([C@@H](CNc2cccc(Cl)c2C#N)N(C)C)c1 ZINC000320508628 1024486488 /nfs/dbraw/zinc/48/64/88/1024486488.db2.gz MTUUMDSQRQVJDC-GOSISDBHSA-N 0 3 329.831 3.935 20 30 EHEDHN C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000434905934 1024498080 /nfs/dbraw/zinc/49/80/80/1024498080.db2.gz SIIZMSXAWWWDHJ-HKUYNNGSSA-N 0 3 339.483 3.549 20 30 EHEDHN CC[C@H](C)N[C@H](CNc1c(C#N)cccc1[N+](=O)[O-])c1ccco1 ZINC000425255024 1024522244 /nfs/dbraw/zinc/52/22/44/1024522244.db2.gz OISWZGKHGKUNOY-GXTWGEPZSA-N 0 3 328.372 3.601 20 30 EHEDHN COc1ccc(C[C@@H](C)C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000179008833 1024523044 /nfs/dbraw/zinc/52/30/44/1024523044.db2.gz YOBHEAAEXVCIPR-CJNGLKHVSA-N 0 3 334.375 3.891 20 30 EHEDHN N#Cc1ccc(C2CCN(Cc3ccccc3OC3CC3)CC2)nc1 ZINC000602907067 1033240083 /nfs/dbraw/zinc/24/00/83/1033240083.db2.gz LAAYHXPKQNDMRQ-UHFFFAOYSA-N 0 3 333.435 3.874 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000895836211 1024901556 /nfs/dbraw/zinc/90/15/56/1024901556.db2.gz YRSUWQRGXPGUJV-UHFFFAOYSA-N 0 3 338.451 3.564 20 30 EHEDHN C=CCC[C@@H](NC(=O)N(CCN(C)C)CC(C)C)c1ccccc1 ZINC000435762865 1025125922 /nfs/dbraw/zinc/12/59/22/1025125922.db2.gz UHXPTUDQGISMFV-LJQANCHMSA-N 0 3 331.504 3.923 20 30 EHEDHN Cc1ccc(C(=O)NC2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000602931983 1033260777 /nfs/dbraw/zinc/26/07/77/1033260777.db2.gz LMTSHBANFDXLEP-QGZVFWFLSA-N 0 3 347.462 3.822 20 30 EHEDHN CCCN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCc2ccccc21 ZINC000521820490 1025710573 /nfs/dbraw/zinc/71/05/73/1025710573.db2.gz BRBRPBPDLBTLKE-LJQANCHMSA-N 0 3 339.483 3.729 20 30 EHEDHN N#CC1(CCCN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000425546008 1025714945 /nfs/dbraw/zinc/71/49/45/1025714945.db2.gz GIBBQOJJHFWFDA-QZTJIDSGSA-N 0 3 348.874 3.548 20 30 EHEDHN CC#CCN[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530394364 1025746640 /nfs/dbraw/zinc/74/66/40/1025746640.db2.gz RRGLGRVPLRMYER-KRWDZBQOSA-N 0 3 329.241 3.741 20 30 EHEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CCCCS1 ZINC000329339595 1025762715 /nfs/dbraw/zinc/76/27/15/1025762715.db2.gz RCUAGWJDLRTISH-KRWDZBQOSA-N 0 3 334.485 3.517 20 30 EHEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000329450532 1025867606 /nfs/dbraw/zinc/86/76/06/1025867606.db2.gz DOMKOMRFRGOJOA-ZIAGYGMSSA-N 0 3 326.444 3.701 20 30 EHEDHN N#CCN(C(=O)c1cccc(CN2CCCCC2)c1)C1CCCC1 ZINC000413487092 1026224267 /nfs/dbraw/zinc/22/42/67/1026224267.db2.gz ZFLQRAWKBQLEMU-UHFFFAOYSA-N 0 3 325.456 3.581 20 30 EHEDHN C=CCC[C@@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000452174421 1026521114 /nfs/dbraw/zinc/52/11/14/1026521114.db2.gz QBJWLAJMTNOGPY-FXAWDEMLSA-N 0 3 326.484 3.679 20 30 EHEDHN C=C(C)COCCNCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000531629858 1027107907 /nfs/dbraw/zinc/10/79/07/1027107907.db2.gz RREXDFQXSIQSEX-UHFFFAOYSA-N 0 3 328.239 3.952 20 30 EHEDHN C=CCN1CCC(Nc2ncc(Br)cc2Cl)CC1 ZINC000302703368 1027245431 /nfs/dbraw/zinc/24/54/31/1027245431.db2.gz BQWBQBASCNHDPF-UHFFFAOYSA-N 0 3 330.657 3.560 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN[C@@H](CC(F)F)c1ccccc1 ZINC000420988657 1027949296 /nfs/dbraw/zinc/94/92/96/1027949296.db2.gz VEKIAMDCZXEKTK-AWEZNQCLSA-N 0 3 349.406 3.934 20 30 EHEDHN C#CCCOc1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000113317567 1027961912 /nfs/dbraw/zinc/96/19/12/1027961912.db2.gz BKKLXROTFLHAQX-MRXNPFEDSA-N 0 3 336.435 3.898 20 30 EHEDHN Cc1cccc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000502618034 1028438753 /nfs/dbraw/zinc/43/87/53/1028438753.db2.gz QVJHQDGJCZMTNZ-OXJNMPFZSA-N 0 3 333.435 3.713 20 30 EHEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1Cl ZINC000008173067 1028479285 /nfs/dbraw/zinc/47/92/85/1028479285.db2.gz XUFSOIZYDXFKNE-LLVKDONJSA-N 0 3 333.844 3.953 20 30 EHEDHN C=CCCC(C)(C)NC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000666735397 1028521411 /nfs/dbraw/zinc/52/14/11/1028521411.db2.gz LHDLZMNIEGZFAS-UHFFFAOYSA-N 0 3 344.503 3.695 20 30 EHEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000583028499 1028586997 /nfs/dbraw/zinc/58/69/97/1028586997.db2.gz PROXASHEQGNASM-NQCMUKECSA-N 0 3 337.379 3.509 20 30 EHEDHN COc1ccc([C@@H]2CCN(Cc3cn4ccccc4c3C#N)C2)cc1 ZINC000504464600 1028661026 /nfs/dbraw/zinc/66/10/26/1028661026.db2.gz KQSKKSSLTQWSNG-QGZVFWFLSA-N 0 3 331.419 3.809 20 30 EHEDHN CCCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000424102355 1028785196 /nfs/dbraw/zinc/78/51/96/1028785196.db2.gz LKTQPTJQRKAYHY-GOEBONIOSA-N 0 3 327.428 3.754 20 30 EHEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1Oc1ccccc1 ZINC000424115467 1028812240 /nfs/dbraw/zinc/81/22/40/1028812240.db2.gz VGJCRGIFIXOARS-YJBOKZPZSA-N 0 3 337.423 3.677 20 30 EHEDHN C[C@@H](Oc1ccccc1NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424125947 1028823265 /nfs/dbraw/zinc/82/32/65/1028823265.db2.gz OJJVDGZUGCWESN-NVXWUHKLSA-N 0 3 337.423 3.786 20 30 EHEDHN CC(C)Sc1ccc(Cl)cc1NC(=O)[C@H](N)CCCC#N ZINC000424145519 1028830284 /nfs/dbraw/zinc/83/02/84/1028830284.db2.gz UYZWUCRMMYHWRY-GFCCVEGCSA-N 0 3 325.865 3.800 20 30 EHEDHN N#Cc1ccc(CN2CCC(N[C@H]3C[C@@]3(F)c3ccccc3)CC2)cc1 ZINC000424181896 1028854346 /nfs/dbraw/zinc/85/43/46/1028854346.db2.gz DZEYSOJBFRHZIS-FCHUYYIVSA-N 0 3 349.453 3.750 20 30 EHEDHN CCCC(=O)Nc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000440805014 1028934148 /nfs/dbraw/zinc/93/41/48/1028934148.db2.gz XLTGEJIRQFOGKH-UHFFFAOYSA-N 0 3 337.423 3.595 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000248675715 1028937609 /nfs/dbraw/zinc/93/76/09/1028937609.db2.gz CUYJYLRDWUZKMQ-KKSFZXQISA-N 0 3 334.419 3.609 20 30 EHEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000535964763 1029285797 /nfs/dbraw/zinc/28/57/97/1029285797.db2.gz UPIZQHRNPPMBLD-FQEVSTJZSA-N 0 3 347.437 4.000 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000079941746 1029393070 /nfs/dbraw/zinc/39/30/70/1029393070.db2.gz BMXAAVXUPNJLLX-KDOFPFPSSA-N 0 3 335.879 3.635 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000192151403 1029603644 /nfs/dbraw/zinc/60/36/44/1029603644.db2.gz LAHBFQJHIRNSCJ-CYBMUJFWSA-N 0 3 337.398 3.897 20 30 EHEDHN N#CCCCCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000079844399 1029731734 /nfs/dbraw/zinc/73/17/34/1029731734.db2.gz SWWHPSIQLZEMHE-UHFFFAOYSA-N 0 3 334.851 3.573 20 30 EHEDHN CN(CC(=O)N(CCC#N)c1ccccc1)C1CCC(C)(C)CC1 ZINC000446724004 1029773501 /nfs/dbraw/zinc/77/35/01/1029773501.db2.gz XNZCQNYEGNVGMT-UHFFFAOYSA-N 0 3 327.472 3.834 20 30 EHEDHN Cc1cc([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000453195358 1029892867 /nfs/dbraw/zinc/89/28/67/1029892867.db2.gz JQVPJZGXZQGDCN-KDOFPFPSSA-N 0 3 339.464 3.774 20 30 EHEDHN N#CC1CCC(CN2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC001168340019 1030129916 /nfs/dbraw/zinc/12/99/16/1030129916.db2.gz RSAKASDUIRTZHN-UHFFFAOYSA-N 0 3 340.496 3.748 20 30 EHEDHN COCCOc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000453383742 1030162637 /nfs/dbraw/zinc/16/26/37/1030162637.db2.gz MHUCWLJXAWPHTL-CQSZACIVSA-N 0 3 328.387 3.573 20 30 EHEDHN C=CCCC1(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)CC1 ZINC000476552854 1030190955 /nfs/dbraw/zinc/19/09/55/1030190955.db2.gz UAQDHRMROVLCMK-UHFFFAOYSA-N 0 3 341.499 3.902 20 30 EHEDHN CC(C)Cc1ccc([C@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000525886567 1030204657 /nfs/dbraw/zinc/20/46/57/1030204657.db2.gz WLJDHLWCBCPEQY-HXUWFJFHSA-N 0 3 341.499 3.734 20 30 EHEDHN N#CC1(NC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)CCC1 ZINC000525886505 1030205199 /nfs/dbraw/zinc/20/51/99/1030205199.db2.gz IAYNFFNSFMYWQN-UHFFFAOYSA-N 0 3 343.446 3.523 20 30 EHEDHN CC[C@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000278339058 1030245780 /nfs/dbraw/zinc/24/57/80/1030245780.db2.gz XFFAEJKSROYQLX-FCHUYYIVSA-N 0 3 349.478 3.672 20 30 EHEDHN CC[C@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447532194 1030265899 /nfs/dbraw/zinc/26/58/99/1030265899.db2.gz SQXUWMXGGGGFPQ-VQTJNVASSA-N 0 3 333.435 3.795 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC1CCCC1 ZINC000064014552 1030305238 /nfs/dbraw/zinc/30/52/38/1030305238.db2.gz YVRHBUDVRMZZIZ-OAHLLOKOSA-N 0 3 331.435 3.583 20 30 EHEDHN N#CC1(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CCCC2)CCC1 ZINC000526287218 1030459437 /nfs/dbraw/zinc/45/94/37/1030459437.db2.gz FXQKBZBOXOWBRU-GOSISDBHSA-N 0 3 345.874 3.723 20 30 EHEDHN N#CC1(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CCCC2)CCC1 ZINC000526287220 1030459856 /nfs/dbraw/zinc/45/98/56/1030459856.db2.gz FXQKBZBOXOWBRU-SFHVURJKSA-N 0 3 345.874 3.723 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000171738368 1030813302 /nfs/dbraw/zinc/81/33/02/1030813302.db2.gz DEFVIXDGSPYWQJ-GOSISDBHSA-N 0 3 347.890 3.837 20 30 EHEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)N(CCC#N)c1ccccc1 ZINC000115556182 1030883056 /nfs/dbraw/zinc/88/30/56/1030883056.db2.gz RFPOVMNHNCVWQF-UYAOXDASSA-N 0 3 347.462 3.811 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccccc2Cn2cccn2)cc1 ZINC000237492380 1031092662 /nfs/dbraw/zinc/09/26/62/1031092662.db2.gz HELWCSWYPNAVRX-KRWDZBQOSA-N 0 3 346.434 3.512 20 30 EHEDHN CC(C)[C@@H]1C[C@@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc21 ZINC000583974402 1031272120 /nfs/dbraw/zinc/27/21/20/1031272120.db2.gz CSGDUKQHWKZZOI-DZFGPLHGSA-N 0 3 347.462 3.601 20 30 EHEDHN CC1(C)CN(CCOc2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000484336284 1031539876 /nfs/dbraw/zinc/53/98/76/1031539876.db2.gz GNCQNMWAVLVZAT-OAHLLOKOSA-N 0 3 326.362 3.847 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000598616595 1033329597 /nfs/dbraw/zinc/32/95/97/1033329597.db2.gz MWFZENHUQWBAMC-MRXNPFEDSA-N 0 3 338.854 3.992 20 30 EHEDHN CC(C)(C)C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000594430020 1033366305 /nfs/dbraw/zinc/36/63/05/1033366305.db2.gz XKVWHOIRJDVZCJ-SJORKVTESA-N 0 3 333.451 3.830 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000594428568 1033366531 /nfs/dbraw/zinc/36/65/31/1033366531.db2.gz NDILWRHRTXYXDC-SFHVURJKSA-N 0 3 331.435 3.508 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000594429783 1033366907 /nfs/dbraw/zinc/36/69/07/1033366907.db2.gz WQIWLSCJYPQZJR-FQEVSTJZSA-N 0 3 335.451 3.742 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000594434627 1033370409 /nfs/dbraw/zinc/37/04/09/1033370409.db2.gz QKZXKKAEULWQJL-SJORKVTESA-N 0 3 333.863 3.709 20 30 EHEDHN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594437803 1033374688 /nfs/dbraw/zinc/37/46/88/1033374688.db2.gz FQQVWUMXXKSFJJ-FUHWJXTLSA-N 0 3 342.487 3.724 20 30 EHEDHN Cc1ccc(Oc2ccc(NC(=O)[C@@H](N)CCCCC#N)cn2)cc1 ZINC000594441757 1033375736 /nfs/dbraw/zinc/37/57/36/1033375736.db2.gz WKHXYPXJLFPANX-KRWDZBQOSA-N 0 3 338.411 3.532 20 30 EHEDHN CCC(CC)(CNC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594439926 1033375781 /nfs/dbraw/zinc/37/57/81/1033375781.db2.gz TUUIWMLKYKYGTQ-KRWDZBQOSA-N 0 3 349.906 3.925 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000594446801 1033377067 /nfs/dbraw/zinc/37/70/67/1033377067.db2.gz SSGLQOXZBWODHN-WOJBJXKFSA-N 0 3 341.499 3.659 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000594446166 1033377582 /nfs/dbraw/zinc/37/75/82/1033377582.db2.gz QWOJDPKLZLZHCV-UONOGXRCSA-N 0 3 340.254 3.508 20 30 EHEDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594444621 1033377934 /nfs/dbraw/zinc/37/79/34/1033377934.db2.gz ADIIBGLVFMMVJO-KGLIPLIRSA-N 0 3 336.505 3.506 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000594446798 1033377995 /nfs/dbraw/zinc/37/79/95/1033377995.db2.gz SSGLQOXZBWODHN-PMACEKPBSA-N 0 3 341.499 3.659 20 30 EHEDHN Cc1ccc(-c2csc(NC(=O)[C@H](N)CCCCC#N)n2)cc1C ZINC000594427079 1033387694 /nfs/dbraw/zinc/38/76/94/1033387694.db2.gz SQFZOBLHTFSJQL-OAHLLOKOSA-N 0 3 342.468 3.777 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000594427699 1033388233 /nfs/dbraw/zinc/38/82/33/1033388233.db2.gz WCNDAIQYHOOVGG-HXUWFJFHSA-N 0 3 335.451 3.627 20 30 EHEDHN CCCc1ccc([C@H](NC(=O)[C@H](N)CCCCC#N)C(C)C)cc1 ZINC000594425139 1033389317 /nfs/dbraw/zinc/38/93/17/1033389317.db2.gz FYRXBUDXPPOUEG-RTBURBONSA-N 0 3 329.488 3.864 20 30 EHEDHN Cc1ccccc1CN(Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594426940 1033389970 /nfs/dbraw/zinc/38/99/70/1033389970.db2.gz GPGBZDYTJWICPO-NRFANRHFSA-N 0 3 349.478 3.935 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CNCc1ccccc1OCc1ccccc1 ZINC000598699767 1033396470 /nfs/dbraw/zinc/39/64/70/1033396470.db2.gz IVGBBOBBWCYEDT-IBGZPJMESA-N 0 3 338.451 3.656 20 30 EHEDHN N#CC1(c2ccc(CNCc3ccnc(N4CCCCC4)c3)cc2)CC1 ZINC000594926903 1033549979 /nfs/dbraw/zinc/54/99/79/1033549979.db2.gz XIUVDJLAJJFZML-UHFFFAOYSA-N 0 3 346.478 3.917 20 30 EHEDHN COC[C@H](C)Oc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594969309 1033575458 /nfs/dbraw/zinc/57/54/58/1033575458.db2.gz OYSRJJWHGSRYOT-INIZCTEOSA-N 0 3 338.451 3.997 20 30 EHEDHN COC[C@@H](C)Oc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000594941701 1033588322 /nfs/dbraw/zinc/58/83/22/1033588322.db2.gz ZDIUGNOHQBDIOB-CQSZACIVSA-N 0 3 344.842 3.915 20 30 EHEDHN C=CCCSCCN[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000595058703 1033635022 /nfs/dbraw/zinc/63/50/22/1033635022.db2.gz JOXYNKASTJXNOO-CYBMUJFWSA-N 0 3 336.892 3.881 20 30 EHEDHN COCc1csc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000599004810 1033640013 /nfs/dbraw/zinc/64/00/13/1033640013.db2.gz HFICBROQOWXPMO-UHFFFAOYSA-N 0 3 342.464 3.562 20 30 EHEDHN N#CC(C(=O)CCC1CCOCC1)c1nc2ccccc2n1C(F)F ZINC000174000337 1033648834 /nfs/dbraw/zinc/64/88/34/1033648834.db2.gz DDYKALBUIBFDNX-CYBMUJFWSA-N 0 3 347.365 3.814 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)c3ccccc23)CC1 ZINC000529258097 1033715010 /nfs/dbraw/zinc/71/50/10/1033715010.db2.gz PJAFDSHVDPNHJS-UHFFFAOYSA-N 0 3 339.439 3.620 20 30 EHEDHN Cc1sc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c(C#N)c1C ZINC000593002267 1033792695 /nfs/dbraw/zinc/79/26/95/1033792695.db2.gz AMELYIRUWPQYFT-CMPLNLGQSA-N 0 3 346.374 3.923 20 30 EHEDHN CC[C@@H](C)N(CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000595597877 1033912508 /nfs/dbraw/zinc/91/25/08/1033912508.db2.gz BWECGRNZBSAQCA-HUUCEWRRSA-N 0 3 333.501 3.997 20 30 EHEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000595614377 1033927550 /nfs/dbraw/zinc/92/75/50/1033927550.db2.gz GXDOYSDSKPBHAT-LBPRGKRZSA-N 0 3 340.254 3.948 20 30 EHEDHN C[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CCc2ccccc21 ZINC000593095980 1033934662 /nfs/dbraw/zinc/93/46/62/1033934662.db2.gz OWNPDZJXSGKSEN-HNNXBMFYSA-N 0 3 344.418 3.770 20 30 EHEDHN Cc1cccc([C@H](NCC(=O)Nc2sccc2C#N)C(C)C)c1 ZINC000599626325 1034051511 /nfs/dbraw/zinc/05/15/11/1034051511.db2.gz CXKKJYRWGGVZDY-QGZVFWFLSA-N 0 3 327.453 3.854 20 30 EHEDHN N#CC(C(=O)c1ccc2c(c1)OCCCO2)c1nc(C2CC2)cs1 ZINC000647372086 1034060097 /nfs/dbraw/zinc/06/00/97/1034060097.db2.gz DOPGFQYGQIFFSO-ZDUSSCGKSA-N 0 3 340.404 3.672 20 30 EHEDHN CN1CCN(Cc2ccccc2-c2cccc(C3(C#N)CC3)c2)CC1 ZINC000596639379 1034344935 /nfs/dbraw/zinc/34/49/35/1034344935.db2.gz PCRNNHCQOAQGBP-UHFFFAOYSA-N 0 3 331.463 3.656 20 30 EHEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1cccc(Cl)c1C#N ZINC000450452767 1034357282 /nfs/dbraw/zinc/35/72/82/1034357282.db2.gz KKWZTVUAWDWZPN-KXBFYZLASA-N 0 3 340.858 3.736 20 30 EHEDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000456685100 1034639064 /nfs/dbraw/zinc/63/90/64/1034639064.db2.gz CUMXJIMMSUQQIA-UHFFFAOYSA-N 0 3 341.499 3.725 20 30 EHEDHN C=C[C@@H](CC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000534662863 1034785190 /nfs/dbraw/zinc/78/51/90/1034785190.db2.gz FPCHCILLQBJHEZ-SFHVURJKSA-N 0 3 326.484 3.823 20 30 EHEDHN COc1ccc(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000179881650 1034933582 /nfs/dbraw/zinc/93/35/82/1034933582.db2.gz XQZYNVDWIRLFKQ-UHFFFAOYSA-N 0 3 346.434 3.599 20 30 EHEDHN CCCc1ccc([C@H](C)N(CCCC(C)(C)C#N)CC(N)=O)cc1 ZINC000472432099 1034977301 /nfs/dbraw/zinc/97/73/01/1034977301.db2.gz NXJCOKXJULMRSM-INIZCTEOSA-N 0 3 329.488 3.817 20 30 EHEDHN C[C@@H]1CCN(Cc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000180075329 1035370495 /nfs/dbraw/zinc/37/04/95/1035370495.db2.gz BZSHEIJXAZBIBO-MRXNPFEDSA-N 0 3 325.481 3.716 20 30 EHEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000185636784 1035506746 /nfs/dbraw/zinc/50/67/46/1035506746.db2.gz IKXTZGYDAWDVQE-FUHWJXTLSA-N 0 3 327.472 3.671 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186450703 1035635460 /nfs/dbraw/zinc/63/54/60/1035635460.db2.gz CUYJYLRDWUZKMQ-HRAATJIYSA-N 0 3 334.419 3.609 20 30 EHEDHN CC(C)C[C@]1(CO)CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000582153914 1035704262 /nfs/dbraw/zinc/70/42/62/1035704262.db2.gz SDOWISKMFTZSLU-KRWDZBQOSA-N 0 3 340.389 3.950 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC(C)C)c(C)c2)CC1 ZINC000173725351 1035738010 /nfs/dbraw/zinc/73/80/10/1035738010.db2.gz RLPHWCQFELFVIX-UHFFFAOYSA-N 0 3 331.460 3.554 20 30 EHEDHN C[C@H]1CN(CCCCNc2nc(C(C)(C)C)ccc2C#N)C[C@H](C)O1 ZINC000613427274 1035826483 /nfs/dbraw/zinc/82/64/83/1035826483.db2.gz YJEHRKRUBXVCIJ-HOTGVXAUSA-N 0 3 344.503 3.552 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2cccc([C@H]3CCCOC3)c2)n1 ZINC000535042653 1035924459 /nfs/dbraw/zinc/92/44/59/1035924459.db2.gz VSYFVJWXDUBFBD-HOTGVXAUSA-N 0 3 326.421 3.836 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)NCc2ccc(C(N)=O)cc2)cc1 ZINC000178183571 1036114421 /nfs/dbraw/zinc/11/44/21/1036114421.db2.gz SGOPRBOCTCLJIC-AWEZNQCLSA-N 0 3 344.842 3.768 20 30 EHEDHN Cc1nc(C#N)c(N=NC2CCN(C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000841619435 1036249334 /nfs/dbraw/zinc/24/93/34/1036249334.db2.gz NKYGBRPTQWGFEJ-SFHVURJKSA-N 0 3 335.411 3.622 20 30 EHEDHN CCCN(CCc1cccs1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000464576139 1036564550 /nfs/dbraw/zinc/56/45/50/1036564550.db2.gz IYQKZEPNJMHAFI-UHFFFAOYSA-N 0 3 347.528 3.687 20 30 EHEDHN C=CCCC[C@H](C)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000089266876 1036596820 /nfs/dbraw/zinc/59/68/20/1036596820.db2.gz JEWSAWFPDJBCJS-INIZCTEOSA-N 0 3 349.906 3.641 20 30 EHEDHN Cc1nsc(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1C#N ZINC000376449166 1036874365 /nfs/dbraw/zinc/87/43/65/1036874365.db2.gz OUXZJVUOIYDAPU-SWLSCSKDSA-N 0 3 332.498 3.880 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000491452080 1037478545 /nfs/dbraw/zinc/47/85/45/1037478545.db2.gz IERJCLUTWYZPFK-NVXWUHKLSA-N 0 3 343.471 3.856 20 30 EHEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000760935305 1037851519 /nfs/dbraw/zinc/85/15/19/1037851519.db2.gz IFBNXOQQPBFMAC-QGZVFWFLSA-N 0 3 344.455 3.533 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000592293208 1037910886 /nfs/dbraw/zinc/91/08/86/1037910886.db2.gz BTTYLVBHVYWIRS-LJQANCHMSA-N 0 3 329.488 3.723 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)c(F)c1 ZINC000592166840 1037912321 /nfs/dbraw/zinc/91/23/21/1037912321.db2.gz JLOGLCGIYXYEPP-NHCUHLMSSA-N 0 3 338.426 3.655 20 30 EHEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@@H]1SC ZINC000592377103 1037918518 /nfs/dbraw/zinc/91/85/18/1037918518.db2.gz NPTBLQAORZLGAO-KFWWJZLASA-N 0 3 344.402 3.576 20 30 EHEDHN COc1ccc(C#N)cc1CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000378457876 1038639428 /nfs/dbraw/zinc/63/94/28/1038639428.db2.gz DELIIFLUQGEPII-NRFANRHFSA-N 0 3 336.435 3.824 20 30 EHEDHN COCC1(C)CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000539098705 1038684076 /nfs/dbraw/zinc/68/40/76/1038684076.db2.gz JGICSSYYMXBFPZ-UHFFFAOYSA-N 0 3 325.374 3.805 20 30 EHEDHN C=CC(C)(C)NCc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000898461659 1039077841 /nfs/dbraw/zinc/07/78/41/1039077841.db2.gz GAJHUETWNBYRHN-UHFFFAOYSA-N 0 3 348.487 3.892 20 30 EHEDHN C=CCSc1ccccc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000485459804 1039101248 /nfs/dbraw/zinc/10/12/48/1039101248.db2.gz BDNKSNCQXHIQLZ-GOSISDBHSA-N 0 3 340.492 3.997 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](c1ccccc1)C(C)C ZINC000728763275 1039128398 /nfs/dbraw/zinc/12/83/98/1039128398.db2.gz IVGVBCKAZGAHBA-ZWKOTPCHSA-N 0 3 328.456 3.832 20 30 EHEDHN N#Cc1c(F)cccc1N1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000509531549 1039144186 /nfs/dbraw/zinc/14/41/86/1039144186.db2.gz DKVTWICHJAWVHN-ZWKOTPCHSA-N 0 3 335.426 3.623 20 30 EHEDHN N#CCCCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000236638294 1039231396 /nfs/dbraw/zinc/23/13/96/1039231396.db2.gz PVKAIEZRAOJGLD-UHFFFAOYSA-N 0 3 333.233 3.623 20 30 EHEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccccc1 ZINC000728914226 1039326303 /nfs/dbraw/zinc/32/63/03/1039326303.db2.gz DPNQUQORSJALAT-HNNXBMFYSA-N 0 3 335.432 3.999 20 30 EHEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC000728915654 1039355127 /nfs/dbraw/zinc/35/51/27/1039355127.db2.gz VIIYWPAIDUSNPF-AWEZNQCLSA-N 0 3 327.453 3.593 20 30 EHEDHN Cc1ccccc1[C@H](C(C)C)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000488739718 1039366359 /nfs/dbraw/zinc/36/63/59/1039366359.db2.gz MKJLMOHLRXQSJY-FQEVSTJZSA-N 0 3 341.499 3.967 20 30 EHEDHN COc1ccnc([C@H](C)NCCSCc2ccccc2C#N)c1 ZINC000924809225 1039742609 /nfs/dbraw/zinc/74/26/09/1039742609.db2.gz AJVJJQPQVMENQG-AWEZNQCLSA-N 0 3 327.453 3.546 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN2CCCC3(CCOCC3)C2)cc1 ZINC000489487651 1040030408 /nfs/dbraw/zinc/03/04/08/1040030408.db2.gz WYDPYSGIEMLTLN-UHFFFAOYSA-N 0 3 337.385 3.950 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C2(C)CCCC2)c1 ZINC000489847233 1040206029 /nfs/dbraw/zinc/20/60/29/1040206029.db2.gz DBVAYSBNRVOQTG-UHFFFAOYSA-N 0 3 327.472 3.815 20 30 EHEDHN N#CCCC[C@H](NCC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000433017304 1040456452 /nfs/dbraw/zinc/45/64/52/1040456452.db2.gz YHYLFZIYAWGEND-NRFANRHFSA-N 0 3 347.462 3.596 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H](Cn3cnc4ccccc43)C2)c(F)c1 ZINC000614235675 1040792584 /nfs/dbraw/zinc/79/25/84/1040792584.db2.gz DHOIQKVIPDSQCO-KRWDZBQOSA-N 0 3 348.425 3.959 20 30 EHEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000925675316 1040954052 /nfs/dbraw/zinc/95/40/52/1040954052.db2.gz VQZMRBJJFCGLCA-SRCQZFHVSA-N 0 3 333.863 3.530 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481620929 1041153745 /nfs/dbraw/zinc/15/37/45/1041153745.db2.gz JJAAAULUHYJPJR-MRXNPFEDSA-N 0 3 338.426 3.828 20 30 EHEDHN C=CC1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600417973 1041183112 /nfs/dbraw/zinc/18/31/12/1041183112.db2.gz LPJCOLLKOGDNHE-SFHVURJKSA-N 0 3 340.511 3.754 20 30 EHEDHN N#Cc1cccc(OCCCN2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000481701060 1041264589 /nfs/dbraw/zinc/26/45/89/1041264589.db2.gz YPNTYTDLABODRL-JOCHJYFZSA-N 0 3 348.446 3.849 20 30 EHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(F)ccc(Br)c1F ZINC000500378308 1041277676 /nfs/dbraw/zinc/27/76/76/1041277676.db2.gz RJPNOTUVWOHAEK-ZUZCIYMTSA-N 0 3 346.215 3.798 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCC(C(C)C)CC2)CC1 ZINC000433327179 1041289316 /nfs/dbraw/zinc/28/93/16/1041289316.db2.gz RJQGGLIOWJOSOX-UHFFFAOYSA-N 0 3 335.536 3.883 20 30 EHEDHN CCOc1cccc(/C=N/C[C@@H](C)N2CCc3ccccc3C2)c1O ZINC000026432375 1041719212 /nfs/dbraw/zinc/71/92/12/1041719212.db2.gz LAXIVXKJEUBZTB-CAUNFOBBSA-N 0 3 338.451 3.657 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc(OC)cc2)o1 ZINC000661118859 1041956072 /nfs/dbraw/zinc/95/60/72/1041956072.db2.gz NPKMWEVWICRCIA-RHSMWYFYSA-N 0 3 327.428 3.970 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3cccc4c3OCCC4)CC2)cc1 ZINC000541910629 1042874928 /nfs/dbraw/zinc/87/49/28/1042874928.db2.gz AEIOEANYTHMXOY-UHFFFAOYSA-N 0 3 347.462 3.960 20 30 EHEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090091769 1043375314 /nfs/dbraw/zinc/37/53/14/1043375314.db2.gz FCCUFTQFFAWIMG-UHFFFAOYSA-N 0 3 338.411 3.719 20 30 EHEDHN CC(C)Sc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000112543348 1044613491 /nfs/dbraw/zinc/61/34/91/1044613491.db2.gz QGUQQKYVDPYHAU-HUUCEWRRSA-N 0 3 333.501 3.598 20 30 EHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000123004146 1044623898 /nfs/dbraw/zinc/62/38/98/1044623898.db2.gz UCKPMAAEUXPZGA-AWEZNQCLSA-N 0 3 325.412 3.593 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2cccc(-n3cccn3)c2)cc1C#N ZINC000072925079 1126935383 /nfs/dbraw/zinc/93/53/83/1126935383.db2.gz NTFISELSWVZIMM-HNNXBMFYSA-N 0 3 332.407 3.603 20 30 EHEDHN CCN(CC)[C@H](CNc1nnc(C)c(C)c1C#N)c1ccsc1 ZINC000301113119 1128573445 /nfs/dbraw/zinc/57/34/45/1128573445.db2.gz ZZZZUQFDDZMVLU-MRXNPFEDSA-N 0 3 329.473 3.522 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000302120880 1128620986 /nfs/dbraw/zinc/62/09/86/1128620986.db2.gz UDQVMEYWJIMYQG-KRWDZBQOSA-N 0 3 347.462 3.862 20 30 EHEDHN CN(c1c(C#N)cccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000302902548 1128654437 /nfs/dbraw/zinc/65/44/37/1128654437.db2.gz UESHGSFTNHUNTB-HXUWFJFHSA-N 0 3 330.435 3.531 20 30 EHEDHN Cc1noc(C)c1C[C@H](C)NCc1cc(C#N)ccc1Br ZINC000921763169 1128738557 /nfs/dbraw/zinc/73/85/57/1128738557.db2.gz UYYWAFGRGQDLRK-JTQLQIEISA-N 0 3 348.244 3.646 20 30 EHEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000765928654 1128760238 /nfs/dbraw/zinc/76/02/38/1128760238.db2.gz YOBLIYWSGZQCOP-ZOBUZTSGSA-N 0 3 345.462 3.520 20 30 EHEDHN C=CC[C@H]1CCCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC001648907740 1120074466 /nfs/dbraw/zinc/07/44/66/1120074466.db2.gz IACZWOZGQAZDFF-QFBILLFUSA-N 0 3 330.472 3.549 20 30 EHEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000176534000 1120587990 /nfs/dbraw/zinc/58/79/90/1120587990.db2.gz XNZYACZWLQSINL-NSHDSACASA-N 0 3 325.195 3.997 20 30 EHEDHN CN1CC[C@H](NCc2csc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000921931810 1128930811 /nfs/dbraw/zinc/93/08/11/1128930811.db2.gz LLDSDKXFHGRZQT-DLBZAZTESA-N 0 3 349.862 3.947 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)C/C(C)=C/c2ccccc2)CC1 ZINC000494810733 1120852267 /nfs/dbraw/zinc/85/22/67/1120852267.db2.gz NGQZHVURDCJQCA-NBVRZTHBSA-N 0 3 341.499 3.772 20 30 EHEDHN C[C@H](N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(C#N)cc1F ZINC000494971552 1120918886 /nfs/dbraw/zinc/91/88/86/1120918886.db2.gz MMPAJESFYPHWGS-YVEFUNNKSA-N 0 3 347.434 3.651 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495715079 1121374065 /nfs/dbraw/zinc/37/40/65/1121374065.db2.gz GCABHVWJEJGGIS-FOIQADDNSA-N 0 3 343.471 3.856 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](C)Sc2ccccc2Cl)CC1 ZINC000171717561 1121503812 /nfs/dbraw/zinc/50/38/12/1121503812.db2.gz VVSHULSASSQDBF-CYBMUJFWSA-N 0 3 338.904 3.587 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000171738960 1121672525 /nfs/dbraw/zinc/67/25/25/1121672525.db2.gz OROIREQQECKPRW-CQSZACIVSA-N 0 3 335.879 3.693 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)cc2OCCC)CC1 ZINC000171740985 1121696631 /nfs/dbraw/zinc/69/66/31/1121696631.db2.gz VBUFHOOFNWQOIK-UHFFFAOYSA-N 0 3 331.460 3.556 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000077512574 1129039537 /nfs/dbraw/zinc/03/95/37/1129039537.db2.gz GZNYLDDQLZOAFT-QGZVFWFLSA-N 0 3 348.450 3.687 20 30 EHEDHN N#CC(C(=O)COc1ccc2ccccc2c1)C(=O)Nc1ccccc1 ZINC000916900345 1122382355 /nfs/dbraw/zinc/38/23/55/1122382355.db2.gz ZKYDIJMDOCEFHW-IBGZPJMESA-N 0 3 344.370 3.566 20 30 EHEDHN CCCCSCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000916938280 1122395854 /nfs/dbraw/zinc/39/58/54/1122395854.db2.gz JMWVKIZHTOEKIL-LLVKDONJSA-N 0 3 342.823 3.660 20 30 EHEDHN C=CCOc1cccc(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000126790471 1122431432 /nfs/dbraw/zinc/43/14/32/1122431432.db2.gz LFVNAOTZWVRTQE-QGZVFWFLSA-N 0 3 344.499 3.624 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(F)cc2C)CC1 ZINC000917098255 1122492394 /nfs/dbraw/zinc/49/23/94/1122492394.db2.gz UMGSRWQLNMDXEC-HNNXBMFYSA-N 0 3 333.451 3.535 20 30 EHEDHN N#Cc1cccc(C2(NCCC(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000556511281 1123006079 /nfs/dbraw/zinc/00/60/79/1123006079.db2.gz GNRAVXQZZBCFQK-UHFFFAOYSA-N 0 3 339.826 3.819 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCOc2ccccc2F)c([O-])c1 ZINC000920942229 1123441353 /nfs/dbraw/zinc/44/13/53/1123441353.db2.gz SPMBPEPKWYKAMI-STZFKDTASA-N 0 3 330.403 3.875 20 30 EHEDHN CC[C@@H](C)[C@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000610001817 1123710772 /nfs/dbraw/zinc/71/07/72/1123710772.db2.gz BWEMYVUOADTPDC-IEBWSBKVSA-N 0 3 327.472 3.834 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](c2cccc(F)c2)C1 ZINC000610133171 1123739352 /nfs/dbraw/zinc/73/93/52/1123739352.db2.gz WRKZDQCUPHNXAY-QGZVFWFLSA-N 0 3 340.398 3.574 20 30 EHEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)n1cccc1 ZINC000735206473 1131317112 /nfs/dbraw/zinc/31/71/12/1131317112.db2.gz LAXHDHUCMBOXJE-AAEUAGOBSA-N 0 3 347.777 3.579 20 30 EHEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)n1cccc1 ZINC000735206477 1131317227 /nfs/dbraw/zinc/31/72/27/1131317227.db2.gz LAXHDHUCMBOXJE-DGCLKSJQSA-N 0 3 347.777 3.579 20 30 EHEDHN CN(Cc1ccccc1)Cc1cccc(C(=O)O[C@H](C#N)C2CC2)c1 ZINC000181570536 1124943450 /nfs/dbraw/zinc/94/34/50/1124943450.db2.gz NABQJEXSKMHQOG-HXUWFJFHSA-N 0 3 334.419 3.778 20 30 EHEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000252801447 1125023917 /nfs/dbraw/zinc/02/39/17/1125023917.db2.gz JOHGDZHYOGLGKA-NQSCKRDGSA-N 0 3 334.463 3.908 20 30 EHEDHN C[C@@H]1COCCCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000618288443 1125038919 /nfs/dbraw/zinc/03/89/19/1125038919.db2.gz QPZVMQVMSBXZBT-LJQANCHMSA-N 0 3 334.463 3.997 20 30 EHEDHN COc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2n1 ZINC000181827690 1125055696 /nfs/dbraw/zinc/05/56/96/1125055696.db2.gz IJFJRQGPLKTIDB-HNNXBMFYSA-N 0 3 347.418 3.997 20 30 EHEDHN C[C@](C#N)(NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000182569229 1125332065 /nfs/dbraw/zinc/33/20/65/1125332065.db2.gz LDFGGIJDAZEKCE-RTBURBONSA-N 0 3 345.874 3.579 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182575813 1125336222 /nfs/dbraw/zinc/33/62/22/1125336222.db2.gz ANRNWESEVRYFGG-LIRRHRJNSA-N 0 3 347.890 3.779 20 30 EHEDHN C=CCCn1cc(CNCC2(c3ccc(Cl)cc3)CCC2)nn1 ZINC000657343132 1129264578 /nfs/dbraw/zinc/26/45/78/1129264578.db2.gz JFKWKBAFYWFXSW-UHFFFAOYSA-N 0 3 330.863 3.719 20 30 EHEDHN CCCCN(C)C(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118393804 1129507858 /nfs/dbraw/zinc/50/78/58/1129507858.db2.gz FSERSIOSHUKCKX-MRXNPFEDSA-N 0 3 327.472 3.590 20 30 EHEDHN C=CCOc1ccc(CNCc2cc(N(C)C)ccn2)cc1Cl ZINC000922478082 1129547255 /nfs/dbraw/zinc/54/72/55/1129547255.db2.gz JVRWYJKRFYIOFR-UHFFFAOYSA-N 0 3 331.847 3.656 20 30 EHEDHN C=CCOc1cccc(CN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000509093898 1129739930 /nfs/dbraw/zinc/73/99/30/1129739930.db2.gz KKIGDQCHIOKNHZ-UHFFFAOYSA-N 0 3 347.462 3.835 20 30 EHEDHN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CC1CCC(C#N)CC1 ZINC001168750146 1129934964 /nfs/dbraw/zinc/93/49/64/1129934964.db2.gz IQESUTPHGAAGCZ-JUVOFCAFSA-N 0 3 335.492 3.646 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCc3ccccc3[C@@H]2C(C)C)CC1 ZINC000675710952 1130456391 /nfs/dbraw/zinc/45/63/91/1130456391.db2.gz IQAWVAOCGLKKSS-FQEVSTJZSA-N 0 3 341.499 3.602 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2csc3ccccc32)CC1 ZINC000730126732 1130674597 /nfs/dbraw/zinc/67/45/97/1130674597.db2.gz RPWKTIJLVFHGOA-AWEZNQCLSA-N 0 3 343.496 3.912 20 30 EHEDHN C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847037 1130850077 /nfs/dbraw/zinc/85/00/77/1130850077.db2.gz BGLLMZKGYAYUMV-UHFFFAOYSA-N 0 3 330.472 3.561 20 30 EHEDHN C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847037 1130850086 /nfs/dbraw/zinc/85/00/86/1130850086.db2.gz BGLLMZKGYAYUMV-UHFFFAOYSA-N 0 3 330.472 3.561 20 30 EHEDHN N#CCCn1cc(CNCc2ccc(C#N)cc2)c(-c2ccccc2)n1 ZINC000733324646 1131025114 /nfs/dbraw/zinc/02/51/14/1131025114.db2.gz PYDDTQPKUVPGQY-UHFFFAOYSA-N 0 3 341.418 3.625 20 30 EHEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)c(F)c1 ZINC001299306227 1131097570 /nfs/dbraw/zinc/09/75/70/1131097570.db2.gz JXKLAOAIDCADHN-UHFFFAOYSA-N 0 3 331.778 3.665 20 30 EHEDHN CCC(CC)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1 ZINC000734365316 1131225406 /nfs/dbraw/zinc/22/54/06/1131225406.db2.gz WHKCMDNVMWATAK-UHFFFAOYSA-N 0 3 339.487 3.893 20 30 EHEDHN CCOCCC[N@@H+]1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@H](C)C1 ZINC000734366617 1131225566 /nfs/dbraw/zinc/22/55/66/1131225566.db2.gz ZJYIKTKLOQUKHM-ZNIVFJOYSA-N 0 3 338.879 3.602 20 30 EHEDHN CCOCCC[N@H+]1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@H](C)C1 ZINC000734366617 1131225571 /nfs/dbraw/zinc/22/55/71/1131225571.db2.gz ZJYIKTKLOQUKHM-ZNIVFJOYSA-N 0 3 338.879 3.602 20 30 EHEDHN N#CCOc1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000738299710 1131467567 /nfs/dbraw/zinc/46/75/67/1131467567.db2.gz PWHQSDPENZRASH-UHFFFAOYSA-N 0 3 344.418 3.755 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccsc1 ZINC000739155743 1131493820 /nfs/dbraw/zinc/49/38/20/1131493820.db2.gz UQLVLXGFWVLSIM-ZYHUDNBSSA-N 0 3 332.812 3.853 20 30 EHEDHN C[NH+](C)C1(C/N=C/c2cc(Cl)ccc2[O-])Cc2ccccc2C1 ZINC000741466283 1131605958 /nfs/dbraw/zinc/60/59/58/1131605958.db2.gz LLMBWZBSBJGZCG-CIAFOILYSA-N 0 3 328.843 3.564 20 30 EHEDHN C[C@H](CCCC#N)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001172498704 1131760149 /nfs/dbraw/zinc/76/01/49/1131760149.db2.gz NHFSZRIBSIFKOR-YLJYHZDGSA-N 0 3 329.463 3.948 20 30 EHEDHN C[C@@H](CCCC#N)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001172498468 1131760434 /nfs/dbraw/zinc/76/04/34/1131760434.db2.gz NJUHREOEJDZSKB-AWEZNQCLSA-N 0 3 330.403 3.708 20 30 EHEDHN Cc1cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)ccc1F ZINC001172971458 1131921628 /nfs/dbraw/zinc/92/16/28/1131921628.db2.gz PSZSOEMAEJEGHX-HOTGVXAUSA-N 0 3 347.434 3.515 20 30 EHEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000744026566 1132005218 /nfs/dbraw/zinc/00/52/18/1132005218.db2.gz YFNGWEYBABZLLV-BXUZGUMPSA-N 0 3 330.771 3.693 20 30 EHEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(CCC2=CCCCC2)CC1 ZINC001169198451 1132688987 /nfs/dbraw/zinc/68/89/87/1132688987.db2.gz XWCIXKRRBGQLEV-FQEVSTJZSA-N 0 3 327.447 3.898 20 30 EHEDHN C#Cc1cccc(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)c1 ZINC000103234101 1132757565 /nfs/dbraw/zinc/75/75/65/1132757565.db2.gz XHYRPNITYQYRIN-UHFFFAOYSA-N 0 3 335.451 3.572 20 30 EHEDHN Cc1c(C)c(C)c(CN2CCN(c3ccc(C#N)nc3)CC2)c(C)c1C ZINC001175935264 1132800717 /nfs/dbraw/zinc/80/07/17/1132800717.db2.gz KJHBHGBGZVHNTA-UHFFFAOYSA-N 0 3 348.494 3.818 20 30 EHEDHN COc1nc(N(C)C)sc1C=NNc1ccc(Cl)cc1Cl ZINC000767131358 1132955143 /nfs/dbraw/zinc/95/51/43/1132955143.db2.gz RAJFZIPUBYZTBH-UHFFFAOYSA-N 0 3 345.255 3.971 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(C#N)c(C)c2)ccc1OC ZINC000767689551 1133040233 /nfs/dbraw/zinc/04/02/33/1133040233.db2.gz MXXASGRJLQKBCW-IBGZPJMESA-N 0 3 349.434 3.846 20 30 EHEDHN C#CCN(C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C1CCCCC1 ZINC000744868627 1133350935 /nfs/dbraw/zinc/35/09/35/1133350935.db2.gz BUFKWSVWAWEZJX-FQEVSTJZSA-N 0 3 341.499 3.575 20 30 EHEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NCC#Cc1ccccc1 ZINC001181592227 1133502381 /nfs/dbraw/zinc/50/23/81/1133502381.db2.gz YRZJFYNUTNQBDK-AOIWGVFYSA-N 0 3 342.483 3.662 20 30 EHEDHN C=CCOc1ccccc1CNC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000785616265 1133732787 /nfs/dbraw/zinc/73/27/87/1133732787.db2.gz SUDODNPRLRFOLT-KRWDZBQOSA-N 0 3 335.806 3.867 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCOCC2)cc1 ZINC000786314965 1133836485 /nfs/dbraw/zinc/83/64/85/1133836485.db2.gz OEBFHETYDBCTSZ-YXJHDRRASA-N 0 3 342.439 3.664 20 30 EHEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786532883 1133861952 /nfs/dbraw/zinc/86/19/52/1133861952.db2.gz CAVASSNDYXLMSF-SUMWQHHRSA-N 0 3 346.858 3.881 20 30 EHEDHN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786529838 1133862137 /nfs/dbraw/zinc/86/21/37/1133862137.db2.gz DMDHMAUTPREEKW-WFASDCNBSA-N 0 3 334.847 3.737 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CCCCCC1 ZINC000787071707 1133945627 /nfs/dbraw/zinc/94/56/27/1133945627.db2.gz DZTMIUNWRYLCSK-GOSISDBHSA-N 0 3 326.440 3.714 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCCCC1(C)C ZINC000789492866 1134283073 /nfs/dbraw/zinc/28/30/73/1134283073.db2.gz WWZHEOBSIUXHLH-IRXDYDNUSA-N 0 3 326.440 3.570 20 30 EHEDHN CC(C)C[C@]1(CO)CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000789512922 1134289380 /nfs/dbraw/zinc/28/93/80/1134289380.db2.gz CRKKKMLQOCNTAY-SFHVURJKSA-N 0 3 336.863 3.615 20 30 EHEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2ncccc2C)ccc1[O-] ZINC000790192768 1134379712 /nfs/dbraw/zinc/37/97/12/1134379712.db2.gz DZANZNWURNPNHL-UHFFFAOYSA-N 0 3 326.444 3.774 20 30 EHEDHN C=CCc1cc(OCC)cc(CN(C)Cc2ccn(CC)c2)c1O ZINC000790451623 1134419983 /nfs/dbraw/zinc/41/99/83/1134419983.db2.gz OYEIZXRZGWXZQC-UHFFFAOYSA-N 0 3 328.456 3.973 20 30 EHEDHN CCCCOc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001189296909 1134563678 /nfs/dbraw/zinc/56/36/78/1134563678.db2.gz RDBDWJPAPGOCBT-MRXNPFEDSA-N 0 3 346.452 3.672 20 30 EHEDHN C[C@]1(c2ccccc2)CCCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC001170193124 1134704061 /nfs/dbraw/zinc/70/40/61/1134704061.db2.gz GCRQRFJIMVYQEI-QFIPXVFZSA-N 0 3 347.462 3.941 20 30 EHEDHN CCCCCCCCNC(=O)N1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001191069052 1134786284 /nfs/dbraw/zinc/78/62/84/1134786284.db2.gz DQYFMJRJGJRZCU-ROUUACIJSA-N 0 3 341.515 3.955 20 30 EHEDHN C=CCc1cc(CN2Cc3ccccc3O[C@@H](C)C2)c(O)c(OC)c1 ZINC000793780309 1134994687 /nfs/dbraw/zinc/99/46/87/1134994687.db2.gz LZAATXATBLSYNB-HNNXBMFYSA-N 0 3 339.435 3.912 20 30 EHEDHN C#C[C@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc(Cl)cc1F ZINC000804421746 1135065013 /nfs/dbraw/zinc/06/50/13/1135065013.db2.gz FRAUFJSODPWJSF-SFHVURJKSA-N 0 3 344.817 3.645 20 30 EHEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000804457493 1135074471 /nfs/dbraw/zinc/07/44/71/1135074471.db2.gz YCKBRXRJWPDACT-QFIPXVFZSA-N 0 3 346.474 3.647 20 30 EHEDHN C[C@H]1CCN(Cc2ccccc2)CCN1c1nc(Cl)c(C#N)s1 ZINC000804531700 1135109129 /nfs/dbraw/zinc/10/91/29/1135109129.db2.gz QZCBZJDTJSRQGG-ZDUSSCGKSA-N 0 3 346.887 3.769 20 30 EHEDHN CCCCCCCOC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001193995662 1135219475 /nfs/dbraw/zinc/21/94/75/1135219475.db2.gz UKMXADOYENEWSV-KDURUIRLSA-N 0 3 345.487 3.552 20 30 EHEDHN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC001194682845 1135305021 /nfs/dbraw/zinc/30/50/21/1135305021.db2.gz HDUIMCZGNUKRBS-JXXFODFXSA-N 0 3 333.435 3.763 20 30 EHEDHN CC(C)(C#N)CCN1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805827084 1135337721 /nfs/dbraw/zinc/33/77/21/1135337721.db2.gz MRTWFLQPLKMTRU-QGZVFWFLSA-N 0 3 335.492 3.840 20 30 EHEDHN N#CCCCCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000805855158 1135340321 /nfs/dbraw/zinc/34/03/21/1135340321.db2.gz FFMGKIWDRSKRAB-KRWDZBQOSA-N 0 3 333.391 3.961 20 30 EHEDHN CC(C)(CCC#N)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805948620 1135354755 /nfs/dbraw/zinc/35/47/55/1135354755.db2.gz FJIUONAULLMZGL-UHFFFAOYSA-N 0 3 328.456 3.772 20 30 EHEDHN C#CCC1(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CCCCC1 ZINC000807682382 1135561312 /nfs/dbraw/zinc/56/13/12/1135561312.db2.gz RJRFTKVZXFWYED-IRXDYDNUSA-N 0 3 330.472 3.799 20 30 EHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCCCCC#N ZINC000808060623 1135610589 /nfs/dbraw/zinc/61/05/89/1135610589.db2.gz CFMBTSDITZHXCO-MJGOQNOKSA-N 0 3 325.456 3.603 20 30 EHEDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)CCC#N)c1[O-] ZINC000808429112 1135665245 /nfs/dbraw/zinc/66/52/45/1135665245.db2.gz BADGVYLDDGQGSP-UHFFFAOYSA-N 0 3 341.249 3.583 20 30 EHEDHN N#Cc1cccc(NC(=S)Nc2cnccc2N2CCCCC2)c1 ZINC001197683181 1135725054 /nfs/dbraw/zinc/72/50/54/1135725054.db2.gz MYAXRERGVWYXDV-UHFFFAOYSA-N 0 3 337.452 3.752 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2C2CCC2)cc1C ZINC000747528864 1135739372 /nfs/dbraw/zinc/73/93/72/1135739372.db2.gz AEJOPPKREYWKER-HXUWFJFHSA-N 0 3 339.483 3.815 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN(C)CCOc2ccccc2F)cc1 ZINC000121517169 1135818946 /nfs/dbraw/zinc/81/89/46/1135818946.db2.gz RAEUNILRPMVQRA-HNNXBMFYSA-N 0 3 328.387 3.627 20 30 EHEDHN C#C[C@H](NCc1cccc(NC(=O)c2ccc(OC)cc2)c1)C(C)C ZINC000809685890 1135872246 /nfs/dbraw/zinc/87/22/46/1135872246.db2.gz XYFQDTNFMLHAIZ-FQEVSTJZSA-N 0 3 336.435 3.695 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)C1CCCCC1 ZINC000776007266 1135919254 /nfs/dbraw/zinc/91/92/54/1135919254.db2.gz QZIIWFOVFVSUME-RTWAWAEBSA-N 0 3 341.499 3.952 20 30 EHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(N2CCCCC2=O)cc1 ZINC000810180133 1135934699 /nfs/dbraw/zinc/93/46/99/1135934699.db2.gz OKJCBLKMSJSTBS-AWEZNQCLSA-N 0 3 339.464 3.987 20 30 EHEDHN C#Cc1ccccc1CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000810434585 1135961165 /nfs/dbraw/zinc/96/11/65/1135961165.db2.gz OMIIEWWHOOAVDY-QFIPXVFZSA-N 0 3 346.474 3.554 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)cc1 ZINC000810532539 1135971043 /nfs/dbraw/zinc/97/10/43/1135971043.db2.gz UFKPTEQMJADMRO-NVXWUHKLSA-N 0 3 344.480 3.820 20 30 EHEDHN CCN(CC)Cc1ccc(C(=O)OCc2ccc(CC#N)cc2)o1 ZINC000776215089 1136067556 /nfs/dbraw/zinc/06/75/56/1136067556.db2.gz WDKDEBPYFUREHH-UHFFFAOYSA-N 0 3 326.396 3.544 20 30 EHEDHN COc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c([O-])c1 ZINC000811498705 1136094919 /nfs/dbraw/zinc/09/49/19/1136094919.db2.gz CQWIXTIKQVJGLS-UHFFFAOYSA-N 0 3 336.313 3.581 20 30 EHEDHN C=CCc1cc(OC)cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000811779325 1136135125 /nfs/dbraw/zinc/13/51/25/1136135125.db2.gz OVZLPJFEWCXOOP-MJGOQNOKSA-N 0 3 331.456 3.519 20 30 EHEDHN CCOC(=O)N[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)CC(C)C ZINC000781420357 1136161550 /nfs/dbraw/zinc/16/15/50/1136161550.db2.gz JRXIDMORBPKRSW-DZGCQCFKSA-N 0 3 335.423 3.509 20 30 EHEDHN COc1cc(CNCc2ccc(C#N)cc2F)c(O)c(C(C)(C)C)c1 ZINC000850121032 1136212410 /nfs/dbraw/zinc/21/24/10/1136212410.db2.gz ASBOTQVZKIUYHD-UHFFFAOYSA-N 0 3 342.414 3.999 20 30 EHEDHN CC(C)[C@@H](O)[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 ZINC000850394894 1136248064 /nfs/dbraw/zinc/24/80/64/1136248064.db2.gz HOKUOSKYSQHZNE-MAODMQOUSA-N 0 3 338.451 3.825 20 30 EHEDHN CO[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)C1CCCCC1 ZINC000850756316 1136300679 /nfs/dbraw/zinc/30/06/79/1136300679.db2.gz PEXATBBXGMGMFR-NVXWUHKLSA-N 0 3 348.830 3.583 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)C2CC3(C2)CCCCC3)c1 ZINC000850757580 1136300790 /nfs/dbraw/zinc/30/07/90/1136300790.db2.gz MWOBOCOQEJJFGH-QGZVFWFLSA-N 0 3 340.423 3.703 20 30 EHEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000850761556 1136301936 /nfs/dbraw/zinc/30/19/36/1136301936.db2.gz OLZSNPGLWPUREN-GOSISDBHSA-N 0 3 326.440 3.510 20 30 EHEDHN C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)Cc2ccccc2O1 ZINC000814177984 1136411508 /nfs/dbraw/zinc/41/15/08/1136411508.db2.gz XTCHOMPGDDACNQ-QGZVFWFLSA-N 0 3 335.451 3.820 20 30 EHEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(N2CCCOC2=O)cc1 ZINC000814657481 1136485996 /nfs/dbraw/zinc/48/59/96/1136485996.db2.gz PJECSMCJSQCMPC-KRWDZBQOSA-N 0 3 334.419 3.736 20 30 EHEDHN N#Cc1sccc1N1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000853530936 1136541515 /nfs/dbraw/zinc/54/15/15/1136541515.db2.gz JDOZLVRNDQKEHQ-UHFFFAOYSA-N 0 3 349.459 3.801 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CNCc2cccc(C#N)c2)ccc1OC ZINC000113347677 1136697270 /nfs/dbraw/zinc/69/72/70/1136697270.db2.gz VBUPAAVFPWECBN-SFHVURJKSA-N 0 3 335.407 3.538 20 30 EHEDHN C#Cc1ccc(CN2CCC3(CCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000817417655 1136806541 /nfs/dbraw/zinc/80/65/41/1136806541.db2.gz RGRRZPATDHYNGG-UHFFFAOYSA-N 0 3 340.467 3.643 20 30 EHEDHN Cc1ccc(CNC[C@H](O)c2ccc(C#N)cc2)c(OC(C)(C)C)c1 ZINC000819143608 1136913630 /nfs/dbraw/zinc/91/36/30/1136913630.db2.gz IULQTWCJKRUHKS-IBGZPJMESA-N 0 3 338.451 3.867 20 30 EHEDHN C=CC[C@@H](NCc1c(C)[nH]c(C(=O)OCC)c1C)c1ccncc1 ZINC000858139187 1136943230 /nfs/dbraw/zinc/94/32/30/1136943230.db2.gz QMCQDJOPAPHPSK-QGZVFWFLSA-N 0 3 327.428 3.610 20 30 EHEDHN C=CCN1CCC(NC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 ZINC000859250405 1137009602 /nfs/dbraw/zinc/00/96/02/1137009602.db2.gz JPDZPKWGRMNHQL-ONEGZZNKSA-N 0 3 344.402 3.547 20 30 EHEDHN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000859445070 1137015182 /nfs/dbraw/zinc/01/51/82/1137015182.db2.gz KQLOOAJFKDLEPA-QGZVFWFLSA-N 0 3 327.472 3.513 20 30 EHEDHN COc1cccc([C@@H](O)C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000860132872 1137045552 /nfs/dbraw/zinc/04/55/52/1137045552.db2.gz CERPGGVVQZZVIX-NRFANRHFSA-N 0 3 336.435 3.512 20 30 EHEDHN C[C@@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000860902697 1137083975 /nfs/dbraw/zinc/08/39/75/1137083975.db2.gz JOPMNIUYGDSHKB-UZLBHIALSA-N 0 3 349.478 3.643 20 30 EHEDHN C#CC[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccn1 ZINC000805874682 1137151092 /nfs/dbraw/zinc/15/10/92/1137151092.db2.gz LDIXSAUWPBHVSE-NRFANRHFSA-N 0 3 348.446 3.601 20 30 EHEDHN Cc1cccn2c(CN3CCC(c4ccc(C#N)cc4)CC3)cnc12 ZINC001136966291 1137158645 /nfs/dbraw/zinc/15/86/45/1137158645.db2.gz YBBLFRPLNVMGPS-UHFFFAOYSA-N 0 3 330.435 3.894 20 30 EHEDHN CC(C)Oc1cc(Cl)c(C=N[N-]c2[nH+]ccn2C)cc1Cl ZINC000863109218 1137170229 /nfs/dbraw/zinc/17/02/29/1137170229.db2.gz GDFZANBCKCUAQX-UHFFFAOYSA-N 0 3 327.215 3.960 20 30 EHEDHN C=CCc1cc(OC)cc(CN2CCc3c(CC#N)cccc3C2)c1O ZINC000863335882 1137181210 /nfs/dbraw/zinc/18/12/10/1137181210.db2.gz LLRUDJVYSVMSIE-UHFFFAOYSA-N 0 3 348.446 3.754 20 30 EHEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cc(F)cc(F)c1C)CC2 ZINC001143764289 1137196773 /nfs/dbraw/zinc/19/67/73/1137196773.db2.gz VYIPVVNUOBPUHJ-FQEVSTJZSA-N 0 3 348.437 3.806 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCCO2)cc1 ZINC000120028763 1137225374 /nfs/dbraw/zinc/22/53/74/1137225374.db2.gz KOXSUHKRUOKXFR-ZWKOTPCHSA-N 0 3 342.439 3.636 20 30 EHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C2CCC2)C1 ZINC001171157227 1137268581 /nfs/dbraw/zinc/26/85/81/1137268581.db2.gz TVXLYHJGCXQMOU-SWLSCSKDSA-N 0 3 331.847 3.661 20 30 EHEDHN CCCn1c2ccccc2nc1CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865847611 1137316139 /nfs/dbraw/zinc/31/61/39/1137316139.db2.gz GSQRWPKJULVCIT-GOSISDBHSA-N 0 3 330.435 3.575 20 30 EHEDHN C#C[C@H](NC1CC(CCNC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC000845975286 1137322930 /nfs/dbraw/zinc/32/29/30/1137322930.db2.gz BUQGSYFQBCYYCK-UYJHFMRCSA-N 0 3 346.446 3.783 20 30 EHEDHN C=CCc1cc(CN[C@@H]2CCCc3ncccc32)cc(OC)c1OC ZINC000866292237 1137343314 /nfs/dbraw/zinc/34/33/14/1137343314.db2.gz JEELAIYGHZAYBB-LJQANCHMSA-N 0 3 338.451 3.995 20 30 EHEDHN CCOc1cccc(N2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171227867 1137353910 /nfs/dbraw/zinc/35/39/10/1137353910.db2.gz BNYQLQGRWBMUDR-SFHVURJKSA-N 0 3 349.478 3.710 20 30 EHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000772957710 1137373155 /nfs/dbraw/zinc/37/31/55/1137373155.db2.gz BHGWWJGKVPMEAY-AWEZNQCLSA-N 0 3 349.434 3.669 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2)C(CC)CC)CC1 ZINC000122465119 1137440659 /nfs/dbraw/zinc/44/06/59/1137440659.db2.gz TUMSMAURTMFGNK-FQEVSTJZSA-N 0 3 326.484 3.625 20 30 EHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000282716556 1137441360 /nfs/dbraw/zinc/44/13/60/1137441360.db2.gz LSTFIWRLTKQODX-TYNCELHUSA-N 0 3 335.245 3.945 20 30 EHEDHN C#CC[C@H](N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000773113225 1137466598 /nfs/dbraw/zinc/46/65/98/1137466598.db2.gz CLIVEGBOYONOQV-OIBXWCBGSA-N 0 3 348.490 3.630 20 30 EHEDHN C=CCc1cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c([O-])c(OC)c1 ZINC000773257339 1137482126 /nfs/dbraw/zinc/48/21/26/1137482126.db2.gz DCSWNVQFHPPHAT-QZTJIDSGSA-N 0 3 345.483 3.768 20 30 EHEDHN C=CCc1cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c([O-])c(OC)c1 ZINC000773257339 1137482127 /nfs/dbraw/zinc/48/21/27/1137482127.db2.gz DCSWNVQFHPPHAT-QZTJIDSGSA-N 0 3 345.483 3.768 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC001172307610 1137545572 /nfs/dbraw/zinc/54/55/72/1137545572.db2.gz OXZHSYNCNKKETL-OALUTQOASA-N 0 3 333.479 3.696 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC001172309975 1137545992 /nfs/dbraw/zinc/54/59/92/1137545992.db2.gz YVZJGSIFBLUBSI-FKIZTMCRSA-N 0 3 345.490 3.820 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@H]1CCOc2cc(F)cc(F)c21 ZINC001172298655 1137549159 /nfs/dbraw/zinc/54/91/59/1137549159.db2.gz ZWIBLBXCMMIKQA-SJCJKPOMSA-N 0 3 328.362 3.881 20 30 EHEDHN C=CCOC[C@H]1CCC[C@@]12CN([C@H](C)CCO[C@@H](C)CC)CCO2 ZINC001172341699 1137552467 /nfs/dbraw/zinc/55/24/67/1137552467.db2.gz XEPKEROKYZIGEX-IYWMVGAKSA-N 0 3 339.520 3.654 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000876590478 1137656358 /nfs/dbraw/zinc/65/63/58/1137656358.db2.gz VLYZSTLYQZCFHA-GWCFXTLKSA-N 0 3 334.769 3.695 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000876642595 1137657850 /nfs/dbraw/zinc/65/78/50/1137657850.db2.gz GEZLUAHUDCGTDS-ZDUSSCGKSA-N 0 3 348.796 3.569 20 30 EHEDHN N#Cc1cnc(Cl)c(CN[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000876881209 1137664493 /nfs/dbraw/zinc/66/44/93/1137664493.db2.gz VULBYNPZHYEGMR-GOSISDBHSA-N 0 3 340.858 3.533 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000876885188 1137664519 /nfs/dbraw/zinc/66/45/19/1137664519.db2.gz MNUBTOGVAJDXGR-SFHVURJKSA-N 0 3 340.858 3.533 20 30 EHEDHN C[C@H](OCCCNCc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876903848 1137664889 /nfs/dbraw/zinc/66/48/89/1137664889.db2.gz YUQCPAXMWUFWCV-AWEZNQCLSA-N 0 3 329.831 3.864 20 30 EHEDHN C#C[C@H](NCCCP(=O)(OCC)OCC)c1ccc(F)cc1 ZINC000877544640 1137680669 /nfs/dbraw/zinc/68/06/69/1137680669.db2.gz SSXNRAIWHYKKEW-INIZCTEOSA-N 0 3 327.336 3.746 20 30 EHEDHN CC(=O)[C@](C#N)(CCN(C)[C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000878105314 1137702630 /nfs/dbraw/zinc/70/26/30/1137702630.db2.gz AISAIXKTFTXNOH-XZOQPEGZSA-N 0 3 346.474 3.916 20 30 EHEDHN C[C@H](CN1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000878771950 1137727719 /nfs/dbraw/zinc/72/77/19/1137727719.db2.gz ATUUHLUPCUEMFI-RBSFLKMASA-N 0 3 339.405 3.727 20 30 EHEDHN C#Cc1ccc(CN[C@@H]2CC3(CCOCC3)Oc3ccccc32)cc1 ZINC000883392538 1137859310 /nfs/dbraw/zinc/85/93/10/1137859310.db2.gz JWXBBVSFFXFFPM-HXUWFJFHSA-N 0 3 333.431 3.831 20 30 EHEDHN CC(C)(C)Sc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884121488 1137911415 /nfs/dbraw/zinc/91/14/15/1137911415.db2.gz QBTDSEJZBRFJKX-BIWSTMPVSA-N 0 3 343.496 3.655 20 30 EHEDHN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@H](O)CC2(C#N)CCC2)C2CC2)o1 ZINC000885930988 1138026102 /nfs/dbraw/zinc/02/61/02/1138026102.db2.gz NMYGEAIKUDRWDP-KYJSFNMBSA-N 0 3 328.456 3.812 20 30 EHEDHN N#CC1(C[C@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCC1 ZINC000886009013 1138031903 /nfs/dbraw/zinc/03/19/03/1138031903.db2.gz ZMOVMTFPAHOJQP-SFHVURJKSA-N 0 3 328.456 3.582 20 30 EHEDHN N#CC1(C[C@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCC1 ZINC000886009013 1138031906 /nfs/dbraw/zinc/03/19/06/1138031906.db2.gz ZMOVMTFPAHOJQP-SFHVURJKSA-N 0 3 328.456 3.582 20 30 EHEDHN N#CC1(C[C@H](O)CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC000886296947 1138065369 /nfs/dbraw/zinc/06/53/69/1138065369.db2.gz FMWIFDDQQRBWKX-CVEARBPZSA-N 0 3 334.410 3.589 20 30 EHEDHN C#CCC1(NCc2nc3ccccc3c(C)c2Cl)CCOCC1 ZINC000887125889 1138219443 /nfs/dbraw/zinc/21/94/43/1138219443.db2.gz NVYMUPKTLQTETD-UHFFFAOYSA-N 0 3 328.843 3.859 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCC)c(Cl)c2)CC1 ZINC000264325374 1138476695 /nfs/dbraw/zinc/47/66/95/1138476695.db2.gz BXIJWJRKIUETTL-UHFFFAOYSA-N 0 3 337.851 3.511 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CCC)[C@@H]2CCc3ccccc32)CC1 ZINC000264330489 1138478189 /nfs/dbraw/zinc/47/81/89/1138478189.db2.gz DRPRHBVAUIMKIW-HXUWFJFHSA-N 0 3 341.499 3.746 20 30 EHEDHN C[C@H](N[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(C#N)cc1 ZINC000338356219 1138850456 /nfs/dbraw/zinc/85/04/56/1138850456.db2.gz KQOYMSHCEVCXKZ-LIRRHRJNSA-N 0 3 337.398 3.544 20 30 EHEDHN CN(CCCC(C)(C)C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000174857302 1139446312 /nfs/dbraw/zinc/44/63/12/1139446312.db2.gz BXRQPYCVFBTPSM-INIZCTEOSA-N 0 3 333.863 3.707 20 30 EHEDHN CC[C@@H](C)N(CCCC(C)(C)C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000174866497 1139447000 /nfs/dbraw/zinc/44/70/00/1139447000.db2.gz MLHRNUWTJKOKTP-OAHLLOKOSA-N 0 3 340.471 3.854 20 30 EHEDHN CC(=O)[C@@H](C)SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000175196061 1139471062 /nfs/dbraw/zinc/47/10/62/1139471062.db2.gz JGFAVEZMEBBYKL-OCCSQVGLSA-N 0 3 344.461 3.697 20 30 EHEDHN C[C@@H](NC[C@H]1COC2(CCCCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000777315232 1139575376 /nfs/dbraw/zinc/57/53/76/1139575376.db2.gz OJYHKGNJDBSARZ-PBHICJAKSA-N 0 3 332.419 3.814 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc(CNc3ccccc3)cc2)CC1 ZINC000176763160 1139578008 /nfs/dbraw/zinc/57/80/08/1139578008.db2.gz QIIQVBSLGXLWFV-UHFFFAOYSA-N 0 3 347.462 3.582 20 30 EHEDHN C=C(C)COc1cc(CNc2cc(CN(C)C)ccn2)ccc1OC ZINC000181526235 1139913293 /nfs/dbraw/zinc/91/32/93/1139913293.db2.gz NTXCUKUZONSGMD-UHFFFAOYSA-N 0 3 341.455 3.719 20 30 EHEDHN C#CCN(Cc1ccc(F)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181662699 1139922870 /nfs/dbraw/zinc/92/28/70/1139922870.db2.gz OSMJLAJNPTUEER-UHFFFAOYSA-N 0 3 344.474 3.546 20 30 EHEDHN C[C@@H]1CN(CC(=O)Nc2ccccc2SCC#N)[C@H]2CCCC[C@H]12 ZINC000182502137 1139976911 /nfs/dbraw/zinc/97/69/11/1139976911.db2.gz NIQQWCROYKTVRF-INMHGKMJSA-N 0 3 343.496 3.751 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)c1cc2ccccc2s1 ZINC000184361874 1140098511 /nfs/dbraw/zinc/09/85/11/1140098511.db2.gz MNKUKTGQJJQIHE-UGSOOPFHSA-N 0 3 329.469 3.606 20 30 EHEDHN Cc1ccc(NC(=O)[C@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)nc1 ZINC000189053744 1140318526 /nfs/dbraw/zinc/31/85/26/1140318526.db2.gz YPRVCHSACNHXNU-LPHOPBHVSA-N 0 3 348.450 3.673 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2c3ccccc3nc(C)c2C(C)C)CC1 ZINC000191956751 1140495644 /nfs/dbraw/zinc/49/56/44/1140495644.db2.gz HCYFKHIWIUHLJQ-UHFFFAOYSA-N 0 3 349.478 3.950 20 30 EHEDHN COc1ccc([C@H](N[C@H](C)C(=O)Nc2cccc(C#N)c2)C2CC2)cc1 ZINC000193347181 1140572708 /nfs/dbraw/zinc/57/27/08/1140572708.db2.gz FBEDFXJGWXJPAL-JLTOFOAXSA-N 0 3 349.434 3.635 20 30 EHEDHN C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000268639050 1140965529 /nfs/dbraw/zinc/96/55/29/1140965529.db2.gz RXMWSANNRBRLIC-LRDDRELGSA-N 0 3 332.350 3.544 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCC(c2ccsc2)CC1 ZINC000186912365 1014600930 /nfs/dbraw/zinc/60/09/30/1014600930.db2.gz DOLQIDBXDLCIRG-UHFFFAOYSA-N 0 3 342.464 3.887 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)OCC2CC2)cc1 ZINC000120274664 1014877749 /nfs/dbraw/zinc/87/77/49/1014877749.db2.gz SQYJPYHIQGUNHS-PMUMKWKESA-N 0 3 342.439 3.663 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000177557441 1016379733 /nfs/dbraw/zinc/37/97/33/1016379733.db2.gz IHVXXIFLBJQLEJ-BRWVUGGUSA-N 0 3 343.446 3.583 20 30 EHEDHN Cc1ccc(NC(=O)C2CCN([C@H](C)c3cccc(C#N)c3)CC2)nc1 ZINC000189051962 1016430385 /nfs/dbraw/zinc/43/03/85/1016430385.db2.gz PUMAJCIDVNJOIN-MRXNPFEDSA-N 0 3 348.450 3.673 20 30 EHEDHN C=CCN(CCc1nc2ccccc2n1C)Cc1ccc(OC)cc1 ZINC000510220841 1016493431 /nfs/dbraw/zinc/49/34/31/1016493431.db2.gz FEHFNXSRYWQPNI-UHFFFAOYSA-N 0 3 335.451 3.813 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 ZINC000340333990 1016967126 /nfs/dbraw/zinc/96/71/26/1016967126.db2.gz FJHDQOKLMIWCAY-UHFFFAOYSA-N 0 3 333.435 3.599 20 30 EHEDHN C=CCN(Cc1cc(Br)c(O)c(OCC)c1)C1CC1 ZINC000459491067 1032214526 /nfs/dbraw/zinc/21/45/26/1032214526.db2.gz WGPYRQBRDPGGBM-UHFFFAOYSA-N 0 3 326.234 3.704 20 30 EHEDHN Cc1cnc(CNC2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000449152706 1032255703 /nfs/dbraw/zinc/25/57/03/1032255703.db2.gz ALHFGXONQGHFEQ-UHFFFAOYSA-N 0 3 327.453 3.803 20 30 EHEDHN CCCCCOc1cc(/C=C2/C(=O)c3ncnn3C2C)ccc1OC ZINC000905080956 1032331432 /nfs/dbraw/zinc/33/14/32/1032331432.db2.gz ORFVVPWGGSJWTA-QQFZQELXSA-N 0 3 341.411 3.697 20 30 EHEDHN CC1/C(=C/c2cn(-c3ccccc3)nc2C(C)(C)C)C(=O)c2ncnn21 ZINC000905084611 1032334572 /nfs/dbraw/zinc/33/45/72/1032334572.db2.gz JGFBJNHQNWNADH-ATTDUZETSA-N 0 3 347.422 3.602 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000544894170 1017355169 /nfs/dbraw/zinc/35/51/69/1017355169.db2.gz SNTKJVGNGRFIAG-MRUHUIDDSA-N 0 3 341.499 3.659 20 30 EHEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(NC(=O)C2CC2)cc1 ZINC000177683121 1018460721 /nfs/dbraw/zinc/46/07/21/1018460721.db2.gz RHUJHEWNGYOGPS-LBPRGKRZSA-N 0 3 325.437 3.819 20 30 EHEDHN C[C@@H]1C[C@H]1c1noc(CC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000593075022 1032772857 /nfs/dbraw/zinc/77/28/57/1032772857.db2.gz ACATZMUDEKBWCB-RDTXWAMCSA-N 0 3 336.439 3.519 20 30 EHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597923230 1032772846 /nfs/dbraw/zinc/77/28/46/1032772846.db2.gz NGSXSDIXCQKZEW-CQSZACIVSA-N 0 3 341.480 3.684 20 30 EHEDHN CN(C)c1ccc(CNCc2cccc(OCCCC#N)c2)cc1F ZINC000237092442 1019312249 /nfs/dbraw/zinc/31/22/49/1019312249.db2.gz XXKCVWSUWDOPIR-UHFFFAOYSA-N 0 3 341.430 3.864 20 30 EHEDHN COc1ccccc1O[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000513420313 1019632936 /nfs/dbraw/zinc/63/29/36/1019632936.db2.gz NLYGYXYBQSYBHY-LJQANCHMSA-N 0 3 336.435 3.919 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCCN1CCC(C)CC1 ZINC000471601684 1019736178 /nfs/dbraw/zinc/73/61/78/1019736178.db2.gz KKQALNSRTVYXGF-UHFFFAOYSA-N 0 3 329.488 3.506 20 30 EHEDHN Cc1cc(CN[C@@H](CN(C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000580786619 1020011458 /nfs/dbraw/zinc/01/14/58/1020011458.db2.gz OOCZBCWORPZDOM-IBGZPJMESA-N 0 3 327.859 3.913 20 30 EHEDHN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCC(F)(F)CC1 ZINC000594046810 1032880361 /nfs/dbraw/zinc/88/03/61/1032880361.db2.gz ZGGSJNGJGZVIEB-LBPRGKRZSA-N 0 3 346.381 3.912 20 30 EHEDHN CC1CCN([C@@H](CNCc2cccc(C#N)n2)c2cccs2)CC1 ZINC000602498115 1032924792 /nfs/dbraw/zinc/92/47/92/1032924792.db2.gz HBZMKCREKIGSRK-SFHVURJKSA-N 0 3 340.496 3.578 20 30 EHEDHN COc1ccc2cc(CN3CCC4(CC3)CC(=O)C=CO4)ccc2c1 ZINC000897602268 1032931909 /nfs/dbraw/zinc/93/19/09/1032931909.db2.gz LQOMXPDMTDITHJ-UHFFFAOYSA-N 0 3 337.419 3.686 20 30 EHEDHN C[C@@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000276250790 1020961178 /nfs/dbraw/zinc/96/11/78/1020961178.db2.gz WEJGMUAYMGYDES-BEFAXECRSA-N 0 3 325.456 3.533 20 30 EHEDHN CCCC(=O)Nc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602513218 1032948545 /nfs/dbraw/zinc/94/85/45/1032948545.db2.gz DUDZTAWHTXIVHP-MRXNPFEDSA-N 0 3 343.471 3.614 20 30 EHEDHN CC[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1cccc(Cl)c1 ZINC000341302424 1021396517 /nfs/dbraw/zinc/39/65/17/1021396517.db2.gz REMAWVASMUOTLQ-SKDZVZGDSA-N 0 3 335.879 3.824 20 30 EHEDHN CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](CC)c1ccccc1 ZINC000520172801 1021989016 /nfs/dbraw/zinc/98/90/16/1021989016.db2.gz ZXFBOCGMIDKDAZ-ICSRJNTNSA-N 0 3 327.472 3.658 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441320719 1022150149 /nfs/dbraw/zinc/15/01/49/1022150149.db2.gz AJYLFQFTSYWSQW-XLIONFOSSA-N 0 3 343.515 3.703 20 30 EHEDHN C=CCN1CCC(Nc2nc(C)nc3sc4c(c32)CCCC4)CC1 ZINC000517331883 1022263422 /nfs/dbraw/zinc/26/34/22/1022263422.db2.gz VKUHNKGWOILXKG-UHFFFAOYSA-N 0 3 342.512 3.941 20 30 EHEDHN Cc1ccc([C@@H](CNc2ccc(Cl)c(C#N)n2)N2CCCC2)o1 ZINC000067371094 1022462685 /nfs/dbraw/zinc/46/26/85/1022462685.db2.gz HGWOKVXGKFWSFJ-OAHLLOKOSA-N 0 3 330.819 3.757 20 30 EHEDHN O=C(NCCN1CCC2(CCCCC2)CC1)c1cnn2c1CCCC2 ZINC000328695388 1022470403 /nfs/dbraw/zinc/47/04/03/1022470403.db2.gz GJDZOIXGKYXHMI-UHFFFAOYSA-N 0 3 344.503 3.570 20 30 EHEDHN CCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H](CC)c1ccccc1 ZINC000521193951 1022575240 /nfs/dbraw/zinc/57/52/40/1022575240.db2.gz ZLIAIPMNXBLZQA-UYAOXDASSA-N 0 3 329.488 3.904 20 30 EHEDHN N#Cc1ccc(CCC(=O)O[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000783444534 1022639203 /nfs/dbraw/zinc/63/92/03/1022639203.db2.gz LGQOKRVFVGTOHV-NRFANRHFSA-N 0 3 348.446 3.699 20 30 EHEDHN C#C[C@@H](NC1CC2(C1)CO[C@@H](C)C2)c1ccc(Br)cc1 ZINC000894669713 1022684546 /nfs/dbraw/zinc/68/45/46/1022684546.db2.gz XRAGIQHHZRIQHB-PDKWGQGHSA-N 0 3 334.257 3.671 20 30 EHEDHN CN(Cc1cc(C#N)cs1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000933773067 1022971356 /nfs/dbraw/zinc/97/13/56/1022971356.db2.gz AZRLMRLJHOGZFR-AWEZNQCLSA-N 0 3 349.500 3.699 20 30 EHEDHN CC[C@@H](NCCOc1ccc(C#N)cc1OC)c1ccc(F)cc1F ZINC000341860677 1023477259 /nfs/dbraw/zinc/47/72/59/1023477259.db2.gz SIHJRQCTCBQRGI-QGZVFWFLSA-N 0 3 346.377 3.965 20 30 EHEDHN COc1cccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)N(C)C)c1 ZINC000255417964 1023614354 /nfs/dbraw/zinc/61/43/54/1023614354.db2.gz QOTJADFUNZNKAI-ZWAQGKOVSA-N 0 3 349.434 3.671 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000187687645 1023830709 /nfs/dbraw/zinc/83/07/09/1023830709.db2.gz IFBDFHFCRUEJRA-OAHLLOKOSA-N 0 3 343.471 3.951 20 30 EHEDHN CC[C@H]1CN(CC2(CC#N)CC2)[C@@H](CC)CN1CC1(CC#N)CC1 ZINC000602796285 1033169294 /nfs/dbraw/zinc/16/92/94/1033169294.db2.gz XCLMOQDTGBCFGD-ROUUACIJSA-N 0 3 328.504 3.549 20 30 EHEDHN O=C(CC1(O)CCCC1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000329762810 1024183168 /nfs/dbraw/zinc/18/31/68/1024183168.db2.gz SYWJUNSKEDXFDC-GOSISDBHSA-N 0 3 330.472 3.693 20 30 EHEDHN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCC[C@@H]1CC1CCCCC1 ZINC000329901549 1024242075 /nfs/dbraw/zinc/24/20/75/1024242075.db2.gz OQVBMNDQACEQNV-ZWKOTPCHSA-N 0 3 344.503 3.794 20 30 EHEDHN Cc1cnc(C2CCN(Cc3ccc(OCC#N)cc3)CC2)s1 ZINC000277276198 1024409667 /nfs/dbraw/zinc/40/96/67/1024409667.db2.gz AVHUMFQQJPFKEO-UHFFFAOYSA-N 0 3 327.453 3.734 20 30 EHEDHN C[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1ccc(C#N)c(F)c1 ZINC000346163794 1024478409 /nfs/dbraw/zinc/47/84/09/1024478409.db2.gz DAAQCYVVYMCXDM-AWEZNQCLSA-N 0 3 334.398 3.949 20 30 EHEDHN C=CCCC1(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC1 ZINC000474291051 1024699041 /nfs/dbraw/zinc/69/90/41/1024699041.db2.gz QCWVDBHCXXLFFN-UHFFFAOYSA-N 0 3 341.499 3.822 20 30 EHEDHN C#CCC1(O)CCN(C/C(C)=C\c2ccccc2OC(F)F)CC1 ZINC000895669570 1024715850 /nfs/dbraw/zinc/71/58/50/1024715850.db2.gz FQJLZCBNHXNCGQ-SQFISAMPSA-N 0 3 335.394 3.542 20 30 EHEDHN N#Cc1cc(CN2CC[C@@H](c3ccc4cccnc4n3)C2)ccc1F ZINC000602888179 1033235967 /nfs/dbraw/zinc/23/59/67/1033235967.db2.gz PTLFESYFJPSRGO-MRXNPFEDSA-N 0 3 332.382 3.630 20 30 EHEDHN Cc1c(CN2CCC(c3ccc(C#N)cn3)CC2)cccc1[N+](=O)[O-] ZINC000602908212 1033242084 /nfs/dbraw/zinc/24/20/84/1033242084.db2.gz BAVTZXNQPLPYGH-UHFFFAOYSA-N 0 3 336.395 3.550 20 30 EHEDHN C=CCOc1ccc(CNC2(C(=O)NCCC)CCCCC2)cc1 ZINC000428070174 1024969654 /nfs/dbraw/zinc/96/96/54/1024969654.db2.gz LSFOXONKMZQYPH-UHFFFAOYSA-N 0 3 330.472 3.570 20 30 EHEDHN C=CCOc1ccc(CN2CC3(CC(OC)(OC)C3)[C@@H]2C(C)C)cc1 ZINC000895996951 1025050747 /nfs/dbraw/zinc/05/07/47/1025050747.db2.gz VXPHUKQOTGIWMA-IBGZPJMESA-N 0 3 345.483 3.861 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000521239750 1025290746 /nfs/dbraw/zinc/29/07/46/1025290746.db2.gz XCURDRJNLDTYKP-UHFFFAOYSA-N 0 3 343.515 3.776 20 30 EHEDHN N#CC1(NC(=O)CN[C@@H](CCc2ccccc2)c2ccccc2)CCC1 ZINC000346951923 1025345874 /nfs/dbraw/zinc/34/58/74/1025345874.db2.gz UXNZNOQAZZGZKP-FQEVSTJZSA-N 0 3 347.462 3.513 20 30 EHEDHN N#Cc1cnn2cc(CN[C@H](CC3CCC3)c3ccccc3)cnc12 ZINC000521436073 1025388599 /nfs/dbraw/zinc/38/85/99/1025388599.db2.gz LZNHKSWZTIRQFP-LJQANCHMSA-N 0 3 331.423 3.622 20 30 EHEDHN CCN(CCC#N)C(=O)CN(CC1CCC1)[C@H](C)c1ccccc1 ZINC000303804117 1025714517 /nfs/dbraw/zinc/71/45/17/1025714517.db2.gz HIBPLWKCVJJOBH-QGZVFWFLSA-N 0 3 327.472 3.612 20 30 EHEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000451475506 1025990861 /nfs/dbraw/zinc/99/08/61/1025990861.db2.gz RYVDPRWUMPMGFI-HOTGVXAUSA-N 0 3 336.382 3.597 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000178569110 1026012690 /nfs/dbraw/zinc/01/26/90/1026012690.db2.gz JKKDKPMGUDBKBK-KXBFYZLASA-N 0 3 348.450 3.651 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c(F)c1 ZINC000478302146 1026070196 /nfs/dbraw/zinc/07/01/96/1026070196.db2.gz ZLLBHRCSBJZGEO-CQSZACIVSA-N 0 3 347.796 3.858 20 30 EHEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]2C1 ZINC000451692208 1026233437 /nfs/dbraw/zinc/23/34/37/1026233437.db2.gz DSDVOHWHBOPUBK-JFIYKMOQSA-N 0 3 337.385 3.540 20 30 EHEDHN C=CCCn1cc(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)nn1 ZINC000657427270 1026234928 /nfs/dbraw/zinc/23/49/28/1026234928.db2.gz ACIXUEINKXROKB-GOSISDBHSA-N 0 3 326.419 3.719 20 30 EHEDHN CC1(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000897055143 1026281347 /nfs/dbraw/zinc/28/13/47/1026281347.db2.gz OSGKTOIAIKAQBE-HTQZYQBOSA-N 0 3 337.254 3.889 20 30 EHEDHN CC(C)[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000451796859 1026301815 /nfs/dbraw/zinc/30/18/15/1026301815.db2.gz ILLOLTSOHXVEQK-CJNGLKHVSA-N 0 3 333.863 3.578 20 30 EHEDHN C=CCSc1ccccc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452176452 1026542758 /nfs/dbraw/zinc/54/27/58/1026542758.db2.gz VRPXQKONAWDMNA-OAHLLOKOSA-N 0 3 330.497 3.521 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000582595143 1026684707 /nfs/dbraw/zinc/68/47/07/1026684707.db2.gz VBXXIVIZSIUHEF-MOPGFXCFSA-N 0 3 335.455 3.965 20 30 EHEDHN CN(Cc1cccc(OCc2ccccc2C#N)c1)C[C@@H]1CCCO1 ZINC000128103844 1026985951 /nfs/dbraw/zinc/98/59/51/1026985951.db2.gz GIHBCZMBCLTRRI-NRFANRHFSA-N 0 3 336.435 3.748 20 30 EHEDHN Cn1cc(CN2CCC(Cc3cccc(F)c3F)CC2)cc1C#N ZINC000449729935 1027276169 /nfs/dbraw/zinc/27/61/69/1027276169.db2.gz OUIQLEVMFJCLCB-UHFFFAOYSA-N 0 3 329.394 3.630 20 30 EHEDHN N#CC1(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)CCCCC1 ZINC000104706147 1027550688 /nfs/dbraw/zinc/55/06/88/1027550688.db2.gz YNFNZFFXKJUXRU-LJQANCHMSA-N 0 3 343.446 3.599 20 30 EHEDHN Cc1cccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)s2)c1C ZINC000421355375 1028299435 /nfs/dbraw/zinc/29/94/35/1028299435.db2.gz ULAONIHCXHLNLB-CYBMUJFWSA-N 0 3 327.453 3.744 20 30 EHEDHN CCCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000566430007 1028589579 /nfs/dbraw/zinc/58/95/79/1028589579.db2.gz FZEWPJQPJPENNH-OAHLLOKOSA-N 0 3 333.501 3.997 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000424066890 1028774448 /nfs/dbraw/zinc/77/44/48/1028774448.db2.gz OGJIJKUTWFSJIA-ROUUACIJSA-N 0 3 341.842 3.567 20 30 EHEDHN CCCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000424102356 1028785326 /nfs/dbraw/zinc/78/53/26/1028785326.db2.gz LKTQPTJQRKAYHY-HOCLYGCPSA-N 0 3 327.428 3.754 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000424083918 1028789528 /nfs/dbraw/zinc/78/95/28/1028789528.db2.gz DGTDOYZIMPGHKJ-CABCVRRESA-N 0 3 340.254 3.678 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000424112681 1028809811 /nfs/dbraw/zinc/80/98/11/1028809811.db2.gz KZWCHNGYIDPMDQ-FQEVSTJZSA-N 0 3 335.451 3.567 20 30 EHEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1OCC1CCCCC1 ZINC000424124578 1028819634 /nfs/dbraw/zinc/81/96/34/1028819634.db2.gz MMQTXKFIAPJFFL-GOSISDBHSA-N 0 3 343.471 3.914 20 30 EHEDHN Cc1ccccc1CNc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424178773 1028851400 /nfs/dbraw/zinc/85/14/00/1028851400.db2.gz XJNSNEAZWZJMRS-KRWDZBQOSA-N 0 3 336.439 3.567 20 30 EHEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(C#N)s2)c2ccccc21 ZINC000421887054 1028892425 /nfs/dbraw/zinc/89/24/25/1028892425.db2.gz SGTSPOWUSXEBIP-MSOLQXFVSA-N 0 3 340.448 3.891 20 30 EHEDHN N#Cc1ccc(CN2CCN(C[C@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000513882319 1029556411 /nfs/dbraw/zinc/55/64/11/1029556411.db2.gz GCLQAKPKLDFEKE-SFHVURJKSA-N 0 3 333.426 3.501 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(SC)ccc2C)CC1 ZINC000272072365 1029805117 /nfs/dbraw/zinc/80/51/17/1029805117.db2.gz JXCNAPNERAPXQR-UHFFFAOYSA-N 0 3 333.501 3.879 20 30 EHEDHN C=CCC[C@@H](O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272900852 1029816041 /nfs/dbraw/zinc/81/60/41/1029816041.db2.gz ZRSPGEOWWBBUQL-IEBWSBKVSA-N 0 3 330.859 3.936 20 30 EHEDHN CC[C@@H](NCc1ccc(C)c(S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000447561871 1030304655 /nfs/dbraw/zinc/30/46/55/1030304655.db2.gz XJLKKGZYTGGNED-GOSISDBHSA-N 0 3 342.464 3.511 20 30 EHEDHN CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000075536607 1030440761 /nfs/dbraw/zinc/44/07/61/1030440761.db2.gz NJHGMEFMUWGGPD-LEWJYISDSA-N 0 3 347.462 3.660 20 30 EHEDHN C#Cc1cccc(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000728574531 1030638154 /nfs/dbraw/zinc/63/81/54/1030638154.db2.gz DUJQXNIGIIGYGX-INIZCTEOSA-N 0 3 345.427 3.590 20 30 EHEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3Cl)CC2)cc1 ZINC000022850411 1030639145 /nfs/dbraw/zinc/63/91/45/1030639145.db2.gz OVUAPNXCROYLAT-UHFFFAOYSA-N 0 3 339.870 3.920 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000171701218 1030810075 /nfs/dbraw/zinc/81/00/75/1030810075.db2.gz WSLJWBZFCUXODA-LJQANCHMSA-N 0 3 329.488 3.723 20 30 EHEDHN C[C@H]1[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCCN1C ZINC000343427140 1030833180 /nfs/dbraw/zinc/83/31/80/1030833180.db2.gz DIIOWOWYWMVIJJ-YWZLYKJASA-N 0 3 349.434 3.563 20 30 EHEDHN CN(C)Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1 ZINC000160619913 1030906289 /nfs/dbraw/zinc/90/62/89/1030906289.db2.gz REEBFPWKDPHQIN-UHFFFAOYSA-N 0 3 337.423 3.683 20 30 EHEDHN N#CC1CCC(CNCc2ncc(Cl)cc2Br)CC1 ZINC000527703688 1031138851 /nfs/dbraw/zinc/13/88/51/1031138851.db2.gz RTSZHZSPDNLNFN-UHFFFAOYSA-N 0 3 342.668 3.917 20 30 EHEDHN Cc1c(Cl)cnc(N[C@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000343508636 1031191813 /nfs/dbraw/zinc/19/18/13/1031191813.db2.gz IRIITJDKWQYSME-HNNXBMFYSA-N 0 3 326.831 3.602 20 30 EHEDHN C=CCOc1cccc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527808409 1031241764 /nfs/dbraw/zinc/24/17/64/1031241764.db2.gz ABEQMIYMVNPEHF-UHFFFAOYSA-N 0 3 348.446 3.919 20 30 EHEDHN Clc1ccc(C2(NCC#Cc3ccccc3)CCOCC2)cc1 ZINC000484076944 1031444420 /nfs/dbraw/zinc/44/44/20/1031444420.db2.gz LXCZGGLGHDTMTC-UHFFFAOYSA-N 0 3 325.839 3.987 20 30 EHEDHN C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)c1cccc(C#N)c1 ZINC000075504468 1031812841 /nfs/dbraw/zinc/81/28/41/1031812841.db2.gz PRYABCTWYMHLMS-AWEZNQCLSA-N 0 3 347.418 3.857 20 30 EHEDHN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@@H](O)CC(C)(C)C#N ZINC000598610458 1033325025 /nfs/dbraw/zinc/32/50/25/1033325025.db2.gz CFHXEWOWWQZRKN-ZFWWWQNUSA-N 0 3 328.378 3.879 20 30 EHEDHN O=C1C=C2CN(Cc3ncc(C(F)(F)F)cc3Cl)CCC2S1 ZINC001142538589 1033354510 /nfs/dbraw/zinc/35/45/10/1033354510.db2.gz KMACAWFVWVCUME-LBPRGKRZSA-N 0 3 348.777 3.528 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594429453 1033366048 /nfs/dbraw/zinc/36/60/48/1033366048.db2.gz UKRMUMIWYPLZAM-ABAIWWIYSA-N 0 3 342.270 3.924 20 30 EHEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)C(c1ccccc1)c1ccccc1 ZINC000594428781 1033366020 /nfs/dbraw/zinc/36/60/20/1033366020.db2.gz OPUYSPLVSBSZJD-YLJYHZDGSA-N 0 3 349.478 3.734 20 30 EHEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cccc(Cl)c1Cl ZINC000594448077 1033377635 /nfs/dbraw/zinc/37/76/35/1033377635.db2.gz ZUDRWRPYPZWQFM-MFKMUULPSA-N 0 3 328.243 3.582 20 30 EHEDHN Cc1cccc([C@H]2CCCCCN2C(=O)[C@H](N)CCCCC#N)c1 ZINC000594447892 1033378927 /nfs/dbraw/zinc/37/89/27/1033378927.db2.gz WYPRJNHSFAPAOL-RTBURBONSA-N 0 3 327.472 3.850 20 30 EHEDHN COc1ccc([C@@H]2CCCCCN2C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594427255 1033388914 /nfs/dbraw/zinc/38/89/14/1033388914.db2.gz IKCHESVGZUQYBM-MOPGFXCFSA-N 0 3 343.471 3.550 20 30 EHEDHN CC(C)(C#N)c1ccc(CNCc2ccc3c(c2)OCCCO3)cc1 ZINC000594500830 1033401902 /nfs/dbraw/zinc/40/19/02/1033401902.db2.gz BNFLRKZSWNVUIP-UHFFFAOYSA-N 0 3 336.435 3.939 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000594466624 1033409272 /nfs/dbraw/zinc/40/92/72/1033409272.db2.gz BRJPVGUKIFIJCT-INIZCTEOSA-N 0 3 347.422 3.580 20 30 EHEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000594920814 1033546424 /nfs/dbraw/zinc/54/64/24/1033546424.db2.gz AUCBHBAKAMKVLO-HNNXBMFYSA-N 0 3 345.446 3.977 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000106266365 1033563430 /nfs/dbraw/zinc/56/34/30/1033563430.db2.gz UZDKXXWNAKMNEI-GOSISDBHSA-N 0 3 347.890 3.667 20 30 EHEDHN C[C@H](NCCc1ccc(C#N)cc1)c1ncc(Br)cc1F ZINC000595055710 1033635844 /nfs/dbraw/zinc/63/58/44/1033635844.db2.gz HZLJCQJUMWRAFO-NSHDSACASA-N 0 3 348.219 3.748 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC2CC2)c2ccccc2)CC1 ZINC000608426172 1033679154 /nfs/dbraw/zinc/67/91/54/1033679154.db2.gz PQXXRBOIAKBJSA-HXUWFJFHSA-N 0 3 341.499 3.868 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1csc(CC(=O)OC(C)C)n1 ZINC000595605051 1033917446 /nfs/dbraw/zinc/91/74/46/1033917446.db2.gz UJZJGYJQIAHKEN-ZBFHGGJFSA-N 0 3 336.501 3.862 20 30 EHEDHN C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)[C@H](N)CCCCC#N ZINC000595959199 1034036222 /nfs/dbraw/zinc/03/62/22/1034036222.db2.gz AVYXUSCLNGGCGC-IEBWSBKVSA-N 0 3 347.890 3.675 20 30 EHEDHN Cc1ccccc1CN1CCCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596077485 1034071823 /nfs/dbraw/zinc/07/18/23/1034071823.db2.gz RGJDUIUQAZBSLZ-UHFFFAOYSA-N 0 3 346.887 3.689 20 30 EHEDHN C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CC(C)(C)C ZINC000603963582 1034075328 /nfs/dbraw/zinc/07/53/28/1034075328.db2.gz RWXPWGCVYAZPBE-KRWDZBQOSA-N 0 3 343.515 3.911 20 30 EHEDHN CCN(CC)[C@H](CNc1nc2ncccc2cc1C#N)c1ccco1 ZINC000596093077 1034077901 /nfs/dbraw/zinc/07/79/01/1034077901.db2.gz QDKDYSFOGDRZRN-MRXNPFEDSA-N 0 3 335.411 3.589 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CNC(C)(C)c1ccc2ccccc2c1 ZINC000599673491 1034079123 /nfs/dbraw/zinc/07/91/23/1034079123.db2.gz QSXLHEGCHAAFPN-NRFANRHFSA-N 0 3 337.467 3.719 20 30 EHEDHN CN(CCN=Cc1cc2ccccc2[nH]c1=O)Cc1ccc(F)cc1 ZINC000255668537 1034089054 /nfs/dbraw/zinc/08/90/54/1034089054.db2.gz IQNXGHTZYNBLBO-XKZIYDEJSA-N 0 3 337.398 3.630 20 30 EHEDHN CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCN(C)C1 ZINC000596734041 1034368465 /nfs/dbraw/zinc/36/84/65/1034368465.db2.gz WNWRYPNDGJHIHF-HUUCEWRRSA-N 0 3 346.500 3.639 20 30 EHEDHN CC(C)(C)OC(=O)NC(C)(C)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000761191079 1034372935 /nfs/dbraw/zinc/37/29/35/1034372935.db2.gz LRUKJRWJBCIIEV-UHFFFAOYSA-N 0 3 343.471 3.826 20 30 EHEDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000171562943 1034461481 /nfs/dbraw/zinc/46/14/81/1034461481.db2.gz AIPZBGQYKVBXOK-HUUCEWRRSA-N 0 3 337.423 3.787 20 30 EHEDHN N#Cc1ccc(OCCNCc2cnc(C3CCCC3)s2)cc1 ZINC000136227468 1034527332 /nfs/dbraw/zinc/52/73/32/1034527332.db2.gz ZVBZPGXIUULDFY-UHFFFAOYSA-N 0 3 327.453 3.841 20 30 EHEDHN C[C@H](CC#N)C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000597491150 1034783462 /nfs/dbraw/zinc/78/34/62/1034783462.db2.gz AUURUDKDQZVNFW-DYVFJYSZSA-N 0 3 349.425 3.546 20 30 EHEDHN Cc1ccc(C(=O)NC2CCN(Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000601937719 1034816591 /nfs/dbraw/zinc/81/65/91/1034816591.db2.gz DJMDEJWDGVJJLB-UHFFFAOYSA-N 0 3 347.462 3.570 20 30 EHEDHN CC1(C)CC[C@H](NCc2cnc3c(C#N)cnn3c2)c2ccccc21 ZINC000580592020 1035442981 /nfs/dbraw/zinc/44/29/81/1035442981.db2.gz AWOLRBCZBIRRJC-SFHVURJKSA-N 0 3 331.423 3.503 20 30 EHEDHN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000582018483 1035678367 /nfs/dbraw/zinc/67/83/67/1035678367.db2.gz SFRQIJQKEYOBFY-RBZFPXEDSA-N 0 3 334.398 3.758 20 30 EHEDHN CC(C)(C)c1ccc(C#N)c(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000613410684 1035779190 /nfs/dbraw/zinc/77/91/90/1035779190.db2.gz UZUPXFYGXSVRIA-UHFFFAOYSA-N 0 3 348.494 3.963 20 30 EHEDHN Cc1ccc([C@@H](CNC(=O)CCCCCC#N)N2CCCC2)cc1 ZINC000588330002 1035913946 /nfs/dbraw/zinc/91/39/46/1035913946.db2.gz CIWMNNROGHHNBU-LJQANCHMSA-N 0 3 327.472 3.722 20 30 EHEDHN CCN(C(=O)CCCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000588679479 1035970682 /nfs/dbraw/zinc/97/06/82/1035970682.db2.gz VCQNWIUSHDGYDC-LJQANCHMSA-N 0 3 327.472 3.583 20 30 EHEDHN C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1cccc(C#N)c1 ZINC000075267885 1036104722 /nfs/dbraw/zinc/10/47/22/1036104722.db2.gz KOEXGCMHQGIYNC-INIZCTEOSA-N 0 3 333.435 3.645 20 30 EHEDHN N#CCCn1cc(CN2CCC3(CCC3)CC2)c(-c2ccncc2)n1 ZINC000589188424 1036297878 /nfs/dbraw/zinc/29/78/78/1036297878.db2.gz VKSLAQJVNPLBJQ-UHFFFAOYSA-N 0 3 335.455 3.625 20 30 EHEDHN N#CC(C(=O)c1cccc(OC(F)F)c1)c1cnc2ccccc2n1 ZINC000190924123 1036305235 /nfs/dbraw/zinc/30/52/35/1036305235.db2.gz HUKFDCGCXSDYBP-ZDUSSCGKSA-N 0 3 339.301 3.721 20 30 EHEDHN N#CC(C(=O)c1cccc(-n2cccc2)c1)c1cnc2ccccc2n1 ZINC000190980705 1036312220 /nfs/dbraw/zinc/31/22/20/1036312220.db2.gz KWIHAWDQQHUGMU-KRWDZBQOSA-N 0 3 338.370 3.911 20 30 EHEDHN CC[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccs1 ZINC000180235135 1036327439 /nfs/dbraw/zinc/32/74/39/1036327439.db2.gz GQRRXCGKIAASKW-SJORKVTESA-N 0 3 339.464 3.856 20 30 EHEDHN CN1CC[C@H](NCc2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000572766884 1036512885 /nfs/dbraw/zinc/51/28/85/1036512885.db2.gz QAVOBJJGGWOYQH-RBUKOAKNSA-N 0 3 325.843 3.747 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cc3ccccc3s2)CC1 ZINC000171550177 1036616755 /nfs/dbraw/zinc/61/67/55/1036616755.db2.gz ZUAFEUICPYTIHW-CQSZACIVSA-N 0 3 343.496 3.912 20 30 EHEDHN Cc1cc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)s1 ZINC000541870508 1036739957 /nfs/dbraw/zinc/73/99/57/1036739957.db2.gz LODGIKREVQOWNS-SFHVURJKSA-N 0 3 339.464 3.522 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464776783 1036767474 /nfs/dbraw/zinc/76/74/74/1036767474.db2.gz SOWNZYYVOACODO-ZWKOTPCHSA-N 0 3 346.540 3.914 20 30 EHEDHN C=CCN(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000057620892 1037011310 /nfs/dbraw/zinc/01/13/10/1037011310.db2.gz DUPTXFXECSRZIF-UHFFFAOYSA-N 0 3 331.843 3.899 20 30 EHEDHN C=CCC(C)(C)C[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000311787793 1037039820 /nfs/dbraw/zinc/03/98/20/1037039820.db2.gz ZJGYKKOMTWHQOG-UHFFFAOYSA-N 0 3 328.250 3.855 20 30 EHEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)CC2CCCCC2)cc1 ZINC000591152254 1037251221 /nfs/dbraw/zinc/25/12/21/1037251221.db2.gz HSJKKEDPPXEFQT-UHFFFAOYSA-N 0 3 344.499 3.836 20 30 EHEDHN Cc1cc(C)cc(C2=CCN(C[C@@H](O)c3cccc(C#N)c3)CC2)c1 ZINC001168222902 1037779482 /nfs/dbraw/zinc/77/94/82/1037779482.db2.gz QIPDBTWGZAJYGX-JOCHJYFZSA-N 0 3 332.447 3.998 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCCCc2ccc(C)cc2C)CC1 ZINC000592293489 1037910445 /nfs/dbraw/zinc/91/04/45/1037910445.db2.gz MDSJXQSIGWHRIO-UHFFFAOYSA-N 0 3 343.515 3.576 20 30 EHEDHN C=CCNC(=O)CN[C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000540415830 1037916256 /nfs/dbraw/zinc/91/62/56/1037916256.db2.gz JNCQJJCCMVSPCY-CQSZACIVSA-N 0 3 328.843 3.960 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC[C@@H](C)C(C)=O)cc1 ZINC000122853854 1037932034 /nfs/dbraw/zinc/93/20/34/1037932034.db2.gz UMWAQWFWJVRBNV-KDOFPFPSSA-N 0 3 342.439 3.682 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC[C@H](C)C(C)=O)cc1 ZINC000122854286 1037932575 /nfs/dbraw/zinc/93/25/75/1037932575.db2.gz UMWAQWFWJVRBNV-KSSFIOAISA-N 0 3 342.439 3.682 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000540567449 1038084104 /nfs/dbraw/zinc/08/41/04/1038084104.db2.gz IPKKXYYWFUWWPS-INIZCTEOSA-N 0 3 335.467 3.644 20 30 EHEDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc21 ZINC000378452277 1038637174 /nfs/dbraw/zinc/63/71/74/1038637174.db2.gz LFKYEICXUJZXCX-MGPUTAFESA-N 0 3 349.434 3.737 20 30 EHEDHN CCCCNC(=O)C1(NCc2ccc(C#N)c(C)c2)CCCCC1 ZINC000488111889 1038878065 /nfs/dbraw/zinc/87/80/65/1038878065.db2.gz YAACGWSNZPGECG-UHFFFAOYSA-N 0 3 327.472 3.576 20 30 EHEDHN Cc1ccc(C)c([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000488465483 1039207043 /nfs/dbraw/zinc/20/70/43/1039207043.db2.gz OISJOLNJAXMCHN-UTKZUKDTSA-N 0 3 347.462 3.627 20 30 EHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000429826451 1039321640 /nfs/dbraw/zinc/32/16/40/1039321640.db2.gz GJNWDKFDVZMASE-ZDUSSCGKSA-N 0 3 341.480 3.686 20 30 EHEDHN CCCN(CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000488791934 1039396410 /nfs/dbraw/zinc/39/64/10/1039396410.db2.gz MCNNXVPJENTSDQ-CYBMUJFWSA-N 0 3 333.501 3.948 20 30 EHEDHN CC(C)(CNCc1ccc(C#N)cc1F)Oc1cc(F)cc(F)c1 ZINC000512497475 1039516827 /nfs/dbraw/zinc/51/68/27/1039516827.db2.gz VZMAWWINSDHUDH-UHFFFAOYSA-N 0 3 334.341 3.923 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)c3ccccc32)CC1 ZINC000478622121 1039578316 /nfs/dbraw/zinc/57/83/16/1039578316.db2.gz NKDRHELKVHMJIQ-UHFFFAOYSA-N 0 3 339.483 3.678 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc2ncsc2c1 ZINC000485835670 1039620031 /nfs/dbraw/zinc/62/00/31/1039620031.db2.gz ZOALIIRKNYYCLF-ZIAGYGMSSA-N 0 3 331.485 3.760 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000912276477 1039794206 /nfs/dbraw/zinc/79/42/06/1039794206.db2.gz XIBWVPBVHPKACB-INIZCTEOSA-N 0 3 331.460 3.588 20 30 EHEDHN C=CCCC[C@@H](C(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000907281386 1039997617 /nfs/dbraw/zinc/99/76/17/1039997617.db2.gz HYGZFBLPLFRYQT-FXAWDEMLSA-N 0 3 326.484 3.893 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000486497613 1040190748 /nfs/dbraw/zinc/19/07/48/1040190748.db2.gz UAJAABCKUKPHQT-AZUAARDMSA-N 0 3 341.499 3.662 20 30 EHEDHN C[C@@H]1C[C@@H](C)CN(C(=O)CN[C@@H](CCCC#N)c2ccccc2)C1 ZINC000433017987 1040461500 /nfs/dbraw/zinc/46/15/00/1040461500.db2.gz DTXRMZIBWZCUSD-LMMKCTJWSA-N 0 3 327.472 3.516 20 30 EHEDHN C=C(CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000512677669 1040495307 /nfs/dbraw/zinc/49/53/07/1040495307.db2.gz LZLIRINPRZZUTF-NRFANRHFSA-N 0 3 349.478 3.616 20 30 EHEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)c(C)s1 ZINC000178706905 1040508255 /nfs/dbraw/zinc/50/82/55/1040508255.db2.gz BOJMKNAXCNMMFX-HNNXBMFYSA-N 0 3 349.415 3.874 20 30 EHEDHN C[C@H](Cc1ccc(Br)c(F)c1)NCC1(C#N)CCC1 ZINC000418144675 1040656950 /nfs/dbraw/zinc/65/69/50/1040656950.db2.gz UNZRVNATRGRQGN-LLVKDONJSA-N 0 3 325.225 3.803 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644244 1041057280 /nfs/dbraw/zinc/05/72/80/1041057280.db2.gz LEUODQDXZLNFAZ-PKOBYXMFSA-N 0 3 333.451 3.557 20 30 EHEDHN Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c(C)c1 ZINC000433328918 1041291938 /nfs/dbraw/zinc/29/19/38/1041291938.db2.gz BMRMKEDOQIDWJX-UHFFFAOYSA-N 0 3 345.450 3.765 20 30 EHEDHN C[C@@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1(C)C ZINC000759924650 1041719778 /nfs/dbraw/zinc/71/97/78/1041719778.db2.gz YDEDRELOMAUELH-GDBMZVCRSA-N 0 3 348.450 3.592 20 30 EHEDHN C[C@@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1(C)C ZINC000759924653 1041720007 /nfs/dbraw/zinc/72/00/07/1041720007.db2.gz YDEDRELOMAUELH-ZBFHGGJFSA-N 0 3 348.450 3.592 20 30 EHEDHN C[C@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1(C)C ZINC000759924651 1041720703 /nfs/dbraw/zinc/72/07/03/1041720703.db2.gz YDEDRELOMAUELH-GOEBONIOSA-N 0 3 348.450 3.592 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000198201941 1042340016 /nfs/dbraw/zinc/34/00/16/1042340016.db2.gz ZNJQRTBVADAEQC-UNMCSNQZSA-N 0 3 349.478 3.614 20 30 EHEDHN C=CCC1(NCc2nc(-c3ccc(OC)cc3OC)no2)CCCC1 ZINC000661848647 1042363637 /nfs/dbraw/zinc/36/36/37/1042363637.db2.gz MAKRVOBNGYENKE-UHFFFAOYSA-N 0 3 343.427 3.732 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000249038698 1042532115 /nfs/dbraw/zinc/53/21/15/1042532115.db2.gz TZZACONMBXJDLK-NRSPTQNISA-N 0 3 347.462 3.908 20 30 EHEDHN C=C[C@H](CO)NCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000662168709 1042558528 /nfs/dbraw/zinc/55/85/28/1042558528.db2.gz RJAFGTGEKVARGT-CYBMUJFWSA-N 0 3 342.386 3.774 20 30 EHEDHN CCC#C[C@H](C)N1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 ZINC000662377190 1042696294 /nfs/dbraw/zinc/69/62/94/1042696294.db2.gz KTXUMPKABPWVCS-INIZCTEOSA-N 0 3 345.487 3.542 20 30 EHEDHN CC[C@@H]1CN(c2ccccc2)CCN1Cc1ccc(OCC#N)cc1 ZINC000763901866 1126933374 /nfs/dbraw/zinc/93/33/74/1126933374.db2.gz KMSYQULBNKKQGC-LJQANCHMSA-N 0 3 335.451 3.690 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000179347274 1127058002 /nfs/dbraw/zinc/05/80/02/1127058002.db2.gz BNZUGCGUXLLHPV-UZLBHIALSA-N 0 3 341.499 3.650 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000179786931 1127090318 /nfs/dbraw/zinc/09/03/18/1127090318.db2.gz ALYMAAPBPHPCKC-WOJBJXKFSA-N 0 3 327.472 3.562 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000180288687 1127140428 /nfs/dbraw/zinc/14/04/28/1127140428.db2.gz DWYBWOXXXKALJN-QRWLVFNGSA-N 0 3 345.462 3.655 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000181419399 1127276059 /nfs/dbraw/zinc/27/60/59/1127276059.db2.gz VPRGNPXBLLZYRI-GOSISDBHSA-N 0 3 329.488 3.649 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-c3ncco3)cc2)CC1 ZINC000182551821 1127336548 /nfs/dbraw/zinc/33/65/48/1127336548.db2.gz RZCFHQVUDWVUGA-UHFFFAOYSA-N 0 3 340.427 3.504 20 30 EHEDHN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1cc2ccccc2s1 ZINC000184361515 1127402612 /nfs/dbraw/zinc/40/26/12/1127402612.db2.gz GWBHTBKRYFNAGG-CQSZACIVSA-N 0 3 341.480 3.895 20 30 EHEDHN CCCC(C)(C)N(CC(=O)N(CC)CCC#N)Cc1cccs1 ZINC000338594174 1127874840 /nfs/dbraw/zinc/87/48/40/1127874840.db2.gz OVWBSLNTXBMRIU-UHFFFAOYSA-N 0 3 335.517 3.891 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc(C#N)ccc1F)c1ccco1 ZINC000888367827 1127970089 /nfs/dbraw/zinc/97/00/89/1127970089.db2.gz RDWXIINIVUIMTG-WBMJQRKESA-N 0 3 344.390 3.541 20 30 EHEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)C1CC1 ZINC000108360965 1128131876 /nfs/dbraw/zinc/13/18/76/1128131876.db2.gz BXCLMIWNDYDQDN-KBPBESRZSA-N 0 3 331.485 3.607 20 30 EHEDHN CC(=O)c1ccc(C#N)cc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000302115526 1128620208 /nfs/dbraw/zinc/62/02/08/1128620208.db2.gz RJVVXJHBLKRCPP-HXUWFJFHSA-N 0 3 347.462 3.862 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1cccc(F)c1 ZINC000303829367 1128699820 /nfs/dbraw/zinc/69/98/20/1128699820.db2.gz LHCQAINDSLPEJF-SFHVURJKSA-N 0 3 340.398 3.922 20 30 EHEDHN C[C@H](NCC(=O)N(C)CC1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942356 1128889252 /nfs/dbraw/zinc/88/92/52/1128889252.db2.gz PRTMEGMPOZMZDF-INIZCTEOSA-N 0 3 347.462 3.744 20 30 EHEDHN C=CCCC(C)(C)CNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC001687270273 1120123993 /nfs/dbraw/zinc/12/39/93/1120123993.db2.gz AFSHIVOHMFHVIL-GOSISDBHSA-N 0 3 347.503 3.590 20 30 EHEDHN C=CCC[C@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001687384443 1120244018 /nfs/dbraw/zinc/24/40/18/1120244018.db2.gz NKTRXDNOCVUGTB-UXHICEINSA-N 0 3 341.499 3.710 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)cccc2SC)CC1 ZINC000185027016 1120397313 /nfs/dbraw/zinc/39/73/13/1120397313.db2.gz MUYBOYQUKMPOQS-UHFFFAOYSA-N 0 3 333.501 3.879 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)CC1 ZINC000186768487 1120473632 /nfs/dbraw/zinc/47/36/32/1120473632.db2.gz VEJXBJWHUWTBKV-HXUWFJFHSA-N 0 3 341.499 3.747 20 30 EHEDHN C=CCOc1ccc(CN2CCC(C(=O)NCCCCC)CC2)cc1 ZINC000152983348 1120509076 /nfs/dbraw/zinc/50/90/76/1120509076.db2.gz KTHSVSDYUZCBGJ-UHFFFAOYSA-N 0 3 344.499 3.770 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000171605870 1120559112 /nfs/dbraw/zinc/55/91/12/1120559112.db2.gz CFWMNJQLCHIMPI-NHCUHLMSSA-N 0 3 334.463 3.710 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000494672102 1120717025 /nfs/dbraw/zinc/71/70/25/1120717025.db2.gz GGWSZWATTYGUFR-IBGZPJMESA-N 0 3 341.499 3.573 20 30 EHEDHN C=CCn1c2ccccc2n(CN2CCN(CC(C)C)CC2)c1=S ZINC000914565096 1120901374 /nfs/dbraw/zinc/90/13/74/1120901374.db2.gz HRAYKLODAUTZAY-UHFFFAOYSA-N 0 3 344.528 3.589 20 30 EHEDHN C=CC[C@@H](C(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC000494905465 1120901809 /nfs/dbraw/zinc/90/18/09/1120901809.db2.gz UNRICEXVQLZLQW-NHCUHLMSSA-N 0 3 336.479 3.635 20 30 EHEDHN CN(C)/C=N/c1ccc(N[C@@H](c2ccccn2)C(F)(F)F)cc1C#N ZINC001168484588 1121043989 /nfs/dbraw/zinc/04/39/89/1121043989.db2.gz BXKHFIPJJRAZFM-IMQYADFFSA-N 0 3 347.344 3.890 20 30 EHEDHN CC(C)C[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1cccs1 ZINC000542555276 1121129116 /nfs/dbraw/zinc/12/91/16/1121129116.db2.gz BZLUTCWPESYHGW-KRWDZBQOSA-N 0 3 341.480 3.613 20 30 EHEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(N2CCOCC2)c1 ZINC000272261373 1121138230 /nfs/dbraw/zinc/13/82/30/1121138230.db2.gz LXODSKGRXPBHID-KRWDZBQOSA-N 0 3 347.462 3.735 20 30 EHEDHN C#Cc1cccc(NC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)c1 ZINC000915339669 1121346308 /nfs/dbraw/zinc/34/63/08/1121346308.db2.gz COSHXAKMVYYQAR-OAQYLSRUSA-N 0 3 347.462 3.626 20 30 EHEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000272299104 1121513996 /nfs/dbraw/zinc/51/39/96/1121513996.db2.gz QXQQVPQBPKCPCC-HNNXBMFYSA-N 0 3 347.418 3.855 20 30 EHEDHN Cc1cc(C)cc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000107071715 1121893285 /nfs/dbraw/zinc/89/32/85/1121893285.db2.gz TUNNAHMSBZALCC-IAGOWNOFSA-N 0 3 327.472 3.685 20 30 EHEDHN COc1ccccc1[C@H](CNCc1csc(C#N)c1)OC(C)C ZINC000922006347 1129020461 /nfs/dbraw/zinc/02/04/61/1129020461.db2.gz GVLDOXHDJOPMIS-SFHVURJKSA-N 0 3 330.453 3.884 20 30 EHEDHN C=CCN(CC=C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000064237722 1122676312 /nfs/dbraw/zinc/67/63/12/1122676312.db2.gz TTXXLPGRIQWQHU-LJQANCHMSA-N 0 3 327.472 3.516 20 30 EHEDHN C=CCC(CC=C)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000556832351 1123141548 /nfs/dbraw/zinc/14/15/48/1123141548.db2.gz CTOGSUNGVLCXJK-UHFFFAOYSA-N 0 3 335.451 3.652 20 30 EHEDHN CC[C@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168524942 1123214598 /nfs/dbraw/zinc/21/45/98/1123214598.db2.gz QEHCRVCDCHRBPA-UPJWGTAASA-N 0 3 349.397 3.599 20 30 EHEDHN C=CCSc1ccccc1NC(=O)CN(C(C)C)C1CCOCC1 ZINC000077323018 1123549585 /nfs/dbraw/zinc/54/95/85/1123549585.db2.gz VKZOUDDCNBADRV-UHFFFAOYSA-N 0 3 348.512 3.793 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(CCc2cccs2)CC1 ZINC000609822810 1123670284 /nfs/dbraw/zinc/67/02/84/1123670284.db2.gz DURNQDBGCMSUDT-INIZCTEOSA-N 0 3 325.481 3.541 20 30 EHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc(Cl)o3)C2)c(F)c1 ZINC000068991203 1124083021 /nfs/dbraw/zinc/08/30/21/1124083021.db2.gz KHQPSBHHURVIEB-CYBMUJFWSA-N 0 3 333.794 3.702 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCSCC#N ZINC000249454194 1124757297 /nfs/dbraw/zinc/75/72/97/1124757297.db2.gz PDFXDVQFOLKCLD-XHSDSOJGSA-N 0 3 338.517 3.608 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CNCc2cn(C)nc2-c2ccccc2)cc1 ZINC000181823017 1125049723 /nfs/dbraw/zinc/04/97/23/1125049723.db2.gz XTZBEXPAMZGYOU-MRXNPFEDSA-N 0 3 346.434 3.668 20 30 EHEDHN COc1cc(C)ccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182898957 1125390335 /nfs/dbraw/zinc/39/03/35/1125390335.db2.gz STSNAXINWBIVFA-UHFFFAOYSA-N 0 3 335.451 3.952 20 30 EHEDHN CC1(C)[C@H](CNCc2cc(C#N)ccc2Br)C1(F)F ZINC000922257193 1129409624 /nfs/dbraw/zinc/40/96/24/1129409624.db2.gz DZRSUKJLYPHFAT-LBPRGKRZSA-N 0 3 329.188 3.702 20 30 EHEDHN C[C@@H](c1ccco1)N(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000069067392 1129420723 /nfs/dbraw/zinc/42/07/23/1129420723.db2.gz NOJMNVSYKUJILF-LBPRGKRZSA-N 0 3 331.803 3.826 20 30 EHEDHN N#Cc1ccc2ncc(CN3CCC[C@H](c4ccccc4)CC3)n2c1 ZINC000093003703 1129572262 /nfs/dbraw/zinc/57/22/62/1129572262.db2.gz APSUDHMPNRSUAI-IBGZPJMESA-N 0 3 330.435 3.976 20 30 EHEDHN CC(C)CN(Cc1ccccc1C#N)C[C@H](O)c1ccc(F)cc1 ZINC000735872784 1131384676 /nfs/dbraw/zinc/38/46/76/1131384676.db2.gz VXJWWSPCTMCICD-FQEVSTJZSA-N 0 3 326.415 3.889 20 30 EHEDHN C=C(C)CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000509007540 1129639801 /nfs/dbraw/zinc/63/98/01/1129639801.db2.gz QJKKEVWVUWXFCZ-KRWDZBQOSA-N 0 3 348.288 3.598 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)Cc2ccc(C)cc2)CC1 ZINC000125977931 1129728272 /nfs/dbraw/zinc/72/82/72/1129728272.db2.gz WWEQLWAZLNQQIL-GOSISDBHSA-N 0 3 343.515 3.608 20 30 EHEDHN C[C@@H]1CN(CC2CCC(C#N)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001168750151 1129935567 /nfs/dbraw/zinc/93/55/67/1129935567.db2.gz IQESUTPHGAAGCZ-NJINODPHSA-N 0 3 335.492 3.646 20 30 EHEDHN N#Cc1ccc(NC(=O)CCN2CCc3ccsc3C2)cc1Cl ZINC000132943617 1129968005 /nfs/dbraw/zinc/96/80/05/1129968005.db2.gz JFORDKXOLVLELQ-UHFFFAOYSA-N 0 3 345.855 3.660 20 30 EHEDHN COC(=O)c1cc2cc(CN(C)Cc3ccc(C#N)cc3)ccc2o1 ZINC000172748656 1130157901 /nfs/dbraw/zinc/15/79/01/1130157901.db2.gz ZPUDDGXRPPMQHD-UHFFFAOYSA-N 0 3 334.375 3.723 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([O-])c1 ZINC000741463319 1131605155 /nfs/dbraw/zinc/60/51/55/1131605155.db2.gz CZQZUPBJNPADET-XAWIFYMESA-N 0 3 330.472 3.861 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cnc3c(C)cccn23)c1 ZINC000742371091 1131715948 /nfs/dbraw/zinc/71/59/48/1131715948.db2.gz HQUASZHDUACVKC-GOSISDBHSA-N 0 3 334.423 3.614 20 30 EHEDHN C[C@@H](CCCC#N)N1CCN(c2cccc(Br)c2)CC1 ZINC001172503038 1131761369 /nfs/dbraw/zinc/76/13/69/1131761369.db2.gz XVGAPJXRRRXWGR-AWEZNQCLSA-N 0 3 336.277 3.653 20 30 EHEDHN C[C@H](Cc1c(F)cccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001172847980 1131869688 /nfs/dbraw/zinc/86/96/88/1131869688.db2.gz QWUCPWMQIJVUHW-BMIGLBTASA-N 0 3 325.836 3.684 20 30 EHEDHN Cc1ccccc1CN(C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982634 1131926051 /nfs/dbraw/zinc/92/60/51/1131926051.db2.gz BHWPRFIWBSWBLK-ROUUACIJSA-N 0 3 343.471 3.719 20 30 EHEDHN Cc1ccc(N2CCC[C@@H](N[C@@H](C)c3cccc(C#N)c3)C2=O)cc1 ZINC000743490602 1131933199 /nfs/dbraw/zinc/93/31/99/1131933199.db2.gz KGXXYBXHAYHGCO-OXJNMPFZSA-N 0 3 333.435 3.713 20 30 EHEDHN CC(C)(C)OC(=O)N1CCCCC12CN(C1CCC(CC#N)CC1)C2 ZINC001173337685 1132052487 /nfs/dbraw/zinc/05/24/87/1132052487.db2.gz RPPXZUYGGLWHRN-UHFFFAOYSA-N 0 3 347.503 3.934 20 30 EHEDHN COc1ccc(CN[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)cc1C#N ZINC000744447243 1132100851 /nfs/dbraw/zinc/10/08/51/1132100851.db2.gz HWRCJYKYTUPVBL-BBATYDOGSA-N 0 3 348.805 3.571 20 30 EHEDHN CC(=O)N1CC[C@@H](N(Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)C1 ZINC001169560610 1132786058 /nfs/dbraw/zinc/78/60/58/1132786058.db2.gz OWEATZNIMAOPBK-HTAPYJJXSA-N 0 3 347.462 3.742 20 30 EHEDHN C#CCOc1ccccc1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001177879936 1133114913 /nfs/dbraw/zinc/11/49/13/1133114913.db2.gz AGDXBIVGXHFHGA-FOWTUZBSSA-N 0 3 336.391 3.800 20 30 EHEDHN C=C[C@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccc(CC)cc1 ZINC001179215727 1133236382 /nfs/dbraw/zinc/23/63/82/1133236382.db2.gz GACSVOFHDGIDBP-HXUWFJFHSA-N 0 3 347.462 3.738 20 30 EHEDHN C=CCOc1ccccc1CN1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769195208 1133241880 /nfs/dbraw/zinc/24/18/80/1133241880.db2.gz LJMZSRGFYFTZLL-MRXNPFEDSA-N 0 3 346.471 3.598 20 30 EHEDHN CC(C)(C)OC(=O)c1ccccc1OCCN1CCC(CC#N)CC1 ZINC000769219125 1133246328 /nfs/dbraw/zinc/24/63/28/1133246328.db2.gz ZSXUCSTVXMPCOH-UHFFFAOYSA-N 0 3 344.455 3.646 20 30 EHEDHN CCN(CC)CC(=O)N(Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001180389956 1133363639 /nfs/dbraw/zinc/36/36/39/1133363639.db2.gz SAOGIVZOFUUMGY-GOSISDBHSA-N 0 3 349.478 3.990 20 30 EHEDHN C#CCN(Cc1ccccc1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001181637748 1133504349 /nfs/dbraw/zinc/50/43/49/1133504349.db2.gz MPQXGJSECXHLAP-OAQYLSRUSA-N 0 3 342.483 3.769 20 30 EHEDHN CCCc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC001182109520 1133572771 /nfs/dbraw/zinc/57/27/71/1133572771.db2.gz OPFQKSZSKKIJQE-HNNXBMFYSA-N 0 3 327.453 3.621 20 30 EHEDHN C=CCOc1ccccc1CNC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000785616266 1133732977 /nfs/dbraw/zinc/73/29/77/1133732977.db2.gz SUDODNPRLRFOLT-QGZVFWFLSA-N 0 3 335.806 3.867 20 30 EHEDHN C=CCCC[C@@H](C)OC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785711215 1133745890 /nfs/dbraw/zinc/74/58/90/1133745890.db2.gz VPZRENQAAXGQEY-QGZVFWFLSA-N 0 3 345.483 3.793 20 30 EHEDHN C#CCC1(O)CCN(C/C(C)=C\c2ccccc2C(F)(F)F)CC1 ZINC001183498378 1133817465 /nfs/dbraw/zinc/81/74/65/1133817465.db2.gz FRRLMUDDFSLBPA-SQFISAMPSA-N 0 3 337.385 3.959 20 30 EHEDHN Cc1nc(CC(=O)C(C#N)c2nc3ccccc3s2)c(C)s1 ZINC000786275497 1133826089 /nfs/dbraw/zinc/82/60/89/1133826089.db2.gz BWADIXOPEZYKLL-NSHDSACASA-N 0 3 327.434 3.789 20 30 EHEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786532882 1133861677 /nfs/dbraw/zinc/86/16/77/1133861677.db2.gz CAVASSNDYXLMSF-GUYCJALGSA-N 0 3 346.858 3.881 20 30 EHEDHN N#CC(C(=O)CCC1CCCCC1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786572263 1133875937 /nfs/dbraw/zinc/87/59/37/1133875937.db2.gz WUXXDMDQELAHKF-HNNXBMFYSA-N 0 3 348.393 3.650 20 30 EHEDHN C[C@@H](OC(=O)CCN1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000786815677 1133910394 /nfs/dbraw/zinc/91/03/94/1133910394.db2.gz HHIYVGFZCLDBQG-MRXNPFEDSA-N 0 3 334.419 3.611 20 30 EHEDHN CCCC[C@@H](CC)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074848 1133946704 /nfs/dbraw/zinc/94/67/04/1133946704.db2.gz SDGFSYPBPCVMRG-AEFFLSMTSA-N 0 3 328.456 3.960 20 30 EHEDHN C#CCC1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCCCC1 ZINC000788151384 1134088441 /nfs/dbraw/zinc/08/84/41/1134088441.db2.gz KJTMJSVRSVSGKG-HXUWFJFHSA-N 0 3 338.495 3.914 20 30 EHEDHN COc1ccc(CNCc2ccc(OCC(F)F)cc2)cc1C#N ZINC000746742193 1134106018 /nfs/dbraw/zinc/10/60/18/1134106018.db2.gz RMADZYVXZGIJSL-UHFFFAOYSA-N 0 3 332.350 3.501 20 30 EHEDHN Cc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)ccc1C#N ZINC000774911037 1134118731 /nfs/dbraw/zinc/11/87/31/1134118731.db2.gz FPFCGWLCDULCET-MAUKXSAKSA-N 0 3 343.471 3.744 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nc(Br)ccc1F ZINC000788799228 1134170128 /nfs/dbraw/zinc/17/01/28/1134170128.db2.gz CRBICIGVFHAGGY-ZETOZRRWSA-N 0 3 343.240 3.615 20 30 EHEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000789449610 1134275952 /nfs/dbraw/zinc/27/59/52/1134275952.db2.gz IAIANINAKPHHBJ-LXTVHRRPSA-N 0 3 341.480 3.839 20 30 EHEDHN CN(Cc1ccc(C#N)c(F)c1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000792235579 1134669714 /nfs/dbraw/zinc/66/97/14/1134669714.db2.gz CMXZEUUNQCCLEO-UHFFFAOYSA-N 0 3 349.450 3.680 20 30 EHEDHN Cc1ccc2c(c1)[C@@H](NC1CCC(C#N)(c3ccccc3)CC1)C(=O)N2 ZINC001170359770 1134755918 /nfs/dbraw/zinc/75/59/18/1134755918.db2.gz FHAFRTBQSLSBSQ-LVKMRUPZSA-N 0 3 345.446 3.982 20 30 EHEDHN CCCCCCCNC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001191123304 1134797755 /nfs/dbraw/zinc/79/77/55/1134797755.db2.gz MBDBXSPJTIQETN-UHFFFAOYSA-N 0 3 347.503 3.626 20 30 EHEDHN CCCCCCCNC(=O)Nc1ccc(OC2CCN(C)CC2)cn1 ZINC001191088864 1134800401 /nfs/dbraw/zinc/80/04/01/1134800401.db2.gz RLQPGRPKLGJKGO-UHFFFAOYSA-N 0 3 348.491 3.647 20 30 EHEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)ccc2OC)C1(CC)CC ZINC001191820725 1134929330 /nfs/dbraw/zinc/92/93/30/1134929330.db2.gz HCTGPWOHNGSBAI-RBUKOAKNSA-N 0 3 330.472 3.982 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC000804371494 1135049378 /nfs/dbraw/zinc/04/93/78/1135049378.db2.gz ACXSDXAHXOZLPB-DGCLKSJQSA-N 0 3 332.860 3.916 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC000804371496 1135049800 /nfs/dbraw/zinc/04/98/00/1135049800.db2.gz ACXSDXAHXOZLPB-YPMHNXCESA-N 0 3 332.860 3.916 20 30 EHEDHN Cc1ccc(CN2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)cc1C#N ZINC001195287641 1135407218 /nfs/dbraw/zinc/40/72/18/1135407218.db2.gz CTDRDRLXTOCFPV-NVXWUHKLSA-N 0 3 328.456 3.809 20 30 EHEDHN C#CCC1(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CCCCC1 ZINC000807682381 1135561788 /nfs/dbraw/zinc/56/17/88/1135561788.db2.gz RJRFTKVZXFWYED-IAGOWNOFSA-N 0 3 330.472 3.799 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCCC[C@@H](C)C2)cc1 ZINC000775733123 1135591771 /nfs/dbraw/zinc/59/17/71/1135591771.db2.gz YQYBALHUPYABCH-QZTJIDSGSA-N 0 3 327.472 3.752 20 30 EHEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1COc2ccccc21 ZINC000808451415 1135669915 /nfs/dbraw/zinc/66/99/15/1135669915.db2.gz OFJSHIYSRNYPJY-CQSZACIVSA-N 0 3 327.811 3.618 20 30 EHEDHN C#C[C@H](NCCSc1ccnc2cc(Cl)ccc21)[C@@H]1CCCO1 ZINC000775788246 1135737004 /nfs/dbraw/zinc/73/70/04/1135737004.db2.gz DVQQVRNJPRETPP-RDJZCZTQSA-N 0 3 346.883 3.751 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809750527 1135885288 /nfs/dbraw/zinc/88/52/88/1135885288.db2.gz ZFXWZUZSXRIQPL-WBVHZDCISA-N 0 3 344.455 3.531 20 30 EHEDHN C=CCCn1cc(CNCC2(c3ccc(F)cc3)CCCCC2)nn1 ZINC001199743262 1135925500 /nfs/dbraw/zinc/92/55/00/1135925500.db2.gz UFRZSDODHFWXOK-UHFFFAOYSA-N 0 3 342.462 3.985 20 30 EHEDHN N#Cc1ncc(F)cc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201474236 1136032222 /nfs/dbraw/zinc/03/22/22/1136032222.db2.gz AQCWAWNLUVFKBB-MSOLQXFVSA-N 0 3 334.398 3.825 20 30 EHEDHN CC(C)c1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001201963997 1136079333 /nfs/dbraw/zinc/07/93/33/1136079333.db2.gz ZRYLABLXPQRWNS-OAQYLSRUSA-N 0 3 347.462 3.967 20 30 EHEDHN C[C@H]1C(N=Nc2cnnc3ccccc23)CCN1Cc1ccccc1 ZINC000811643925 1136116005 /nfs/dbraw/zinc/11/60/05/1136116005.db2.gz OWHGHJBGCWUXPU-HNNXBMFYSA-N 0 3 331.423 3.692 20 30 EHEDHN CCn1cc(CNCc2ccc(C#N)c(OC)c2)c(-c2ccccc2)n1 ZINC001202300255 1136125621 /nfs/dbraw/zinc/12/56/21/1136125621.db2.gz WLGUIFPDHMGFLJ-UHFFFAOYSA-N 0 3 346.434 3.740 20 30 EHEDHN COc1cc(C#N)ccc1OC1CCN(CCCC(F)(F)F)CC1 ZINC001202434110 1136147988 /nfs/dbraw/zinc/14/79/88/1136147988.db2.gz ZEQAGIANIMGHMO-UHFFFAOYSA-N 0 3 342.361 3.753 20 30 EHEDHN C[C@@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000781421950 1136163994 /nfs/dbraw/zinc/16/39/94/1136163994.db2.gz JCIMFFUXVZALOU-HIFRSBDPSA-N 0 3 347.434 3.747 20 30 EHEDHN N=C(N[C@@H]1CCc2cc(F)cc(F)c2C1)c1ccc2ccccc2n1 ZINC001170671185 1136185377 /nfs/dbraw/zinc/18/53/77/1136185377.db2.gz WTRFDFDQAORIHO-OAHLLOKOSA-N 0 3 337.373 3.776 20 30 EHEDHN C=CC[C@@H](NCc1ccc(O[C@H](C)COC)cc1)c1ccncc1 ZINC000850136665 1136213545 /nfs/dbraw/zinc/21/35/45/1136213545.db2.gz CDBFHUAPIWZDON-OXQOHEQNSA-N 0 3 326.440 3.902 20 30 EHEDHN Cc1nc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c(C#N)c(C)c1C ZINC001170680901 1136221205 /nfs/dbraw/zinc/22/12/05/1136221205.db2.gz GYRUPCKMMYEBTG-AWEZNQCLSA-N 0 3 331.423 3.751 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(OCCC#N)cc1 ZINC001170685819 1136238653 /nfs/dbraw/zinc/23/86/53/1136238653.db2.gz GDJCKQULNFQJEH-HNNXBMFYSA-N 0 3 332.407 3.851 20 30 EHEDHN COc1ccc(N2CC[C@H](N[C@H](C)c3ccc(C#N)cc3F)C2)cc1 ZINC000850487513 1136269236 /nfs/dbraw/zinc/26/92/36/1136269236.db2.gz HMABNNIUDFBMCN-ZBFHGGJFSA-N 0 3 339.414 3.635 20 30 EHEDHN C[C@H](Oc1ccccc1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813219231 1136304800 /nfs/dbraw/zinc/30/48/00/1136304800.db2.gz YHDBHWYCPPSDMN-FZMZJTMJSA-N 0 3 334.297 3.744 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813219235 1136304845 /nfs/dbraw/zinc/30/48/45/1136304845.db2.gz YHEGQCNNLNNRFO-FFSVYQOJSA-N 0 3 340.345 3.872 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CC3(C2)CCCCC3)c1 ZINC000850977185 1136324543 /nfs/dbraw/zinc/32/45/43/1136324543.db2.gz NXQZVAITEMUZEI-SFHVURJKSA-N 0 3 338.451 3.681 20 30 EHEDHN C[C@@H](NC(=O)C(C#N)C(=O)CCCF)c1ccc(Cl)cc1Cl ZINC000850977737 1136324689 /nfs/dbraw/zinc/32/46/89/1136324689.db2.gz CXKYFNYQYHOZQU-SKDRFNHKSA-N 0 3 345.201 3.629 20 30 EHEDHN CCCCCCCOc1cccc(CN[C@H]2CCCCNC2=O)c1 ZINC000747855087 1136335316 /nfs/dbraw/zinc/33/53/16/1136335316.db2.gz ZVDVYCMGCUPFBM-IBGZPJMESA-N 0 3 332.488 3.794 20 30 EHEDHN C[C@H](C1CC1)N(CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000173200652 1136371887 /nfs/dbraw/zinc/37/18/87/1136371887.db2.gz JBDJYGGYSAUWIK-CYBMUJFWSA-N 0 3 329.469 3.504 20 30 EHEDHN C[C@@]1(C#N)CCN(CCCCCCCCN2CC[C@@](C)(C#N)C2)C1 ZINC000852686112 1136477902 /nfs/dbraw/zinc/47/79/02/1136477902.db2.gz FYTZAHVJTFGPFM-PMACEKPBSA-N 0 3 330.520 3.798 20 30 EHEDHN CCCN(CCN[C@H](C)c1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000776745254 1136620638 /nfs/dbraw/zinc/62/06/38/1136620638.db2.gz UIFSGQUHOPWQJL-CQSZACIVSA-N 0 3 349.450 3.995 20 30 EHEDHN C=CCOCCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000816471369 1136719124 /nfs/dbraw/zinc/71/91/24/1136719124.db2.gz CMMRXMHKMQMFEI-IEBWSBKVSA-N 0 3 331.456 3.566 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCC2)cc1 ZINC000114618306 1136813424 /nfs/dbraw/zinc/81/34/24/1136813424.db2.gz LUHYSQGHRJOLJF-SUMWQHHRSA-N 0 3 328.412 3.559 20 30 EHEDHN Cc1cc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)ccc1C#N ZINC000858016796 1136932332 /nfs/dbraw/zinc/93/23/32/1136932332.db2.gz IKNGMYLMTRFVSB-FQEVSTJZSA-N 0 3 333.435 3.792 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(N(C)C(C)=O)cc2)cc1 ZINC000858496499 1136973952 /nfs/dbraw/zinc/97/39/52/1136973952.db2.gz PAXGGTFOLSHTLI-INIZCTEOSA-N 0 3 336.435 3.532 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)c1cc(C#N)ccc1F)c1ccsc1 ZINC000821918700 1137044477 /nfs/dbraw/zinc/04/44/77/1137044477.db2.gz VAQMXKPFCGELHU-KRWDZBQOSA-N 0 3 345.443 3.572 20 30 EHEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000860468964 1137061654 /nfs/dbraw/zinc/06/16/54/1137061654.db2.gz GVCGDCFZFMBPLW-SJORKVTESA-N 0 3 344.455 3.664 20 30 EHEDHN COc1ccc(Cl)cc1C(C)(C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000823497767 1137102760 /nfs/dbraw/zinc/10/27/60/1137102760.db2.gz OAOYHCYSLBNCPF-KRWDZBQOSA-N 0 3 344.842 3.779 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000824690584 1137148366 /nfs/dbraw/zinc/14/83/66/1137148366.db2.gz HIGQTZDDXRJAAZ-IFXJQAMLSA-N 0 3 344.842 3.796 20 30 EHEDHN CN(C)/C=N/c1ccc(N[C@@H]2CCc3c2cccc3C#N)cc1C#N ZINC001171063907 1137150428 /nfs/dbraw/zinc/15/04/28/1137150428.db2.gz SHVGUXMNVRKIFV-VMHRPQTGSA-N 0 3 329.407 3.751 20 30 EHEDHN Cc1ccc2c(CN3CCN(c4cccc(C#N)c4)CC3)c[nH]c2c1 ZINC001136975493 1137159755 /nfs/dbraw/zinc/15/97/55/1137159755.db2.gz JDRJHLDVRKWVMO-UHFFFAOYSA-N 0 3 330.435 3.670 20 30 EHEDHN COc1ncc(CN2CCC(Cc3ccc(C#N)cc3)CC2)cc1C ZINC001137006530 1137169488 /nfs/dbraw/zinc/16/94/88/1137169488.db2.gz VGOCZGCDNDKSDY-UHFFFAOYSA-N 0 3 335.451 3.725 20 30 EHEDHN CC1(C(=O)OCC2(CC#N)CC2)CCN(Cc2ccccc2)CC1 ZINC000805889209 1137171335 /nfs/dbraw/zinc/17/13/35/1137171335.db2.gz SUZKLOFLIIUZJH-UHFFFAOYSA-N 0 3 326.440 3.526 20 30 EHEDHN CC(C)O[C@@H](CN(C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844372150 1137213310 /nfs/dbraw/zinc/21/33/10/1137213310.db2.gz VNYDACBMYSWJBE-RTWAWAEBSA-N 0 3 338.451 3.690 20 30 EHEDHN Cc1c(CN2CCC3SC(=O)C=C3C2)cccc1C(F)(F)F ZINC001143922614 1137215642 /nfs/dbraw/zinc/21/56/42/1137215642.db2.gz NFBXVMQMXGCVSX-AWEZNQCLSA-N 0 3 327.371 3.788 20 30 EHEDHN CCCC[C@H](ON=C(C)C)C(=O)N(CCN(C)C)C1CCCCC1 ZINC001143964423 1137219665 /nfs/dbraw/zinc/21/96/65/1137219665.db2.gz GYJVXFDWDLSKJH-SFHVURJKSA-N 0 3 339.524 3.681 20 30 EHEDHN CC[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000865291236 1137274777 /nfs/dbraw/zinc/27/47/77/1137274777.db2.gz UTVXBAQCUAMOMM-KGLIPLIRSA-N 0 3 327.453 3.737 20 30 EHEDHN CCN(CC)Cc1cncc(NC(=N)c2ccc3cc(O)ccc3c2)c1 ZINC001171182594 1137293400 /nfs/dbraw/zinc/29/34/00/1137293400.db2.gz QANUEHMBOQCREY-UHFFFAOYSA-N 0 3 348.450 3.819 20 30 EHEDHN CCn1ccc(CC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)n1 ZINC000845451473 1137294088 /nfs/dbraw/zinc/29/40/88/1137294088.db2.gz NNZMOSUIWDFKDZ-GFCCVEGCSA-N 0 3 344.827 3.585 20 30 EHEDHN CN(C)c1ccc(C#N)cc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000865606118 1137298184 /nfs/dbraw/zinc/29/81/84/1137298184.db2.gz PXIQLLHIAHGBQI-FQEVSTJZSA-N 0 3 330.435 3.663 20 30 EHEDHN C#Cc1ccc(CN2CC[C@@H](C(=O)OC)C[C@@H]2c2ccccc2)cc1 ZINC001144578728 1137310550 /nfs/dbraw/zinc/31/05/50/1137310550.db2.gz KXPNHRHBSILWRT-NHCUHLMSSA-N 0 3 333.431 3.794 20 30 EHEDHN CC(C)(C)OC(=O)NCc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(F)c1 ZINC000846060537 1137331832 /nfs/dbraw/zinc/33/18/32/1137331832.db2.gz OYYNMXAMQXEMHA-XJKSGUPXSA-N 0 3 347.434 3.632 20 30 EHEDHN C=CCOC[C@H]1CCC[C@@]12CN(Cc1cccc3cc[nH]c31)CCO2 ZINC001144713274 1137333496 /nfs/dbraw/zinc/33/34/96/1137333496.db2.gz NUVLIQZTOFAHAI-TZIWHRDSSA-N 0 3 340.467 3.742 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(O)(c2ccccc2F)CC1 ZINC001171221696 1137347976 /nfs/dbraw/zinc/34/79/76/1137347976.db2.gz SKACZPIIZUVSAM-MRXNPFEDSA-N 0 3 338.426 3.612 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc2c([nH]c1=O)CCCC2 ZINC000866641876 1137371927 /nfs/dbraw/zinc/37/19/27/1137371927.db2.gz XOVBAUKDXKQOKX-HXUWFJFHSA-N 0 3 333.435 3.705 20 30 EHEDHN CC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1c(C)nn(C)c1C ZINC000772958419 1137378598 /nfs/dbraw/zinc/37/85/98/1137378598.db2.gz GONIIFHQHLULNQ-FZKQIMNGSA-N 0 3 326.444 3.741 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(OCC#N)cc1 ZINC000772960698 1137386184 /nfs/dbraw/zinc/38/61/84/1137386184.db2.gz TZKUBTNZLZCYLZ-GJZGRUSLSA-N 0 3 349.434 3.885 20 30 EHEDHN C=C[C@H](C(=O)N1CCN(C2CCC(C)CC2)CC1)c1ccccc1 ZINC001146814440 1137394805 /nfs/dbraw/zinc/39/48/05/1137394805.db2.gz URRWAIWOYBITLV-UUKMXZOPSA-N 0 3 326.484 3.679 20 30 EHEDHN C#CCOc1ccccc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000772988586 1137420473 /nfs/dbraw/zinc/42/04/73/1137420473.db2.gz ROTQFLYUOJSGFN-GHTZIAJQSA-N 0 3 335.447 3.956 20 30 EHEDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000870140543 1137478536 /nfs/dbraw/zinc/47/85/36/1137478536.db2.gz ZOHRJVYDWZCFCA-QNHTTWNFSA-N 0 3 332.403 3.779 20 30 EHEDHN C=CC[C@@H]1CCCN(CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1 ZINC001171847527 1137515853 /nfs/dbraw/zinc/51/58/53/1137515853.db2.gz NXQFMKMEGLRRMG-LJQANCHMSA-N 0 3 342.527 3.931 20 30 EHEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1c[nH]c3c1cccc3F)C2 ZINC001137056404 1137571177 /nfs/dbraw/zinc/57/11/77/1137571177.db2.gz TYBDWGNMAIEDAY-OXJNMPFZSA-N 0 3 344.430 3.633 20 30 EHEDHN C[C@@H](NCCOC(F)(F)C(F)(F)F)c1ccc(C(F)F)nc1 ZINC000872110835 1137571800 /nfs/dbraw/zinc/57/18/00/1137571800.db2.gz RTDUVUDZPVBPQM-SSDOTTSWSA-N 0 3 334.235 3.842 20 30 EHEDHN Cc1cc(F)c(C#N)cc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000874904165 1137625880 /nfs/dbraw/zinc/62/58/80/1137625880.db2.gz ZNDADAKYJYYITE-NEPJUHHUSA-N 0 3 344.308 3.692 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1OCC ZINC000876612250 1137657020 /nfs/dbraw/zinc/65/70/20/1137657020.db2.gz GZNQCYUBIBKXDM-JTQLQIEISA-N 0 3 336.741 3.513 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000876646300 1137658006 /nfs/dbraw/zinc/65/80/06/1137658006.db2.gz UDCDBHONZAQWPP-WFASDCNBSA-N 0 3 326.893 3.834 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000876646299 1137658058 /nfs/dbraw/zinc/65/80/58/1137658058.db2.gz UDCDBHONZAQWPP-SWLSCSKDSA-N 0 3 326.893 3.834 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCCc2ccc(OC(F)F)cc2)c1 ZINC000876896031 1137664768 /nfs/dbraw/zinc/66/47/68/1137664768.db2.gz SJMVDECTBFCNJW-UHFFFAOYSA-N 0 3 337.757 3.540 20 30 EHEDHN N#CC1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000877033847 1137668201 /nfs/dbraw/zinc/66/82/01/1137668201.db2.gz PEJMERWHMPJFGT-UYJHFMRCSA-N 0 3 347.890 3.682 20 30 EHEDHN C[C@H](CCC#N)C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000877033796 1137668246 /nfs/dbraw/zinc/66/82/46/1137668246.db2.gz NXQGARPJMYHBND-RHSMWYFYSA-N 0 3 335.879 3.539 20 30 EHEDHN CN(C)[C@H](CNCc1cc(C#N)cnc1Cl)c1ccc(Cl)cc1 ZINC000877078397 1137669705 /nfs/dbraw/zinc/66/97/05/1137669705.db2.gz OHJYTCZGNJYINU-MRXNPFEDSA-N 0 3 349.265 3.653 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCC2(Cc3ccc(F)cc3)CC2)c1 ZINC000877133406 1137671075 /nfs/dbraw/zinc/67/10/75/1137671075.db2.gz IRMRYHJMDXQGMF-UHFFFAOYSA-N 0 3 329.806 3.858 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001137122572 1137681732 /nfs/dbraw/zinc/68/17/32/1137681732.db2.gz ICBZHBFZXSMVBV-OAQYLSRUSA-N 0 3 347.418 3.504 20 30 EHEDHN CC(=O)[C@](C#N)(CCN(C)[C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000878105311 1137702613 /nfs/dbraw/zinc/70/26/13/1137702613.db2.gz AISAIXKTFTXNOH-DHIUTWEWSA-N 0 3 346.474 3.916 20 30 EHEDHN CC(=O)[C@](C#N)(CCN1CCc2ccccc2CC1)c1ccccc1 ZINC000878111001 1137702810 /nfs/dbraw/zinc/70/28/10/1137702810.db2.gz PCMKSCQEWRHLGV-JOCHJYFZSA-N 0 3 332.447 3.528 20 30 EHEDHN CCOC(=O)c1sc(C2CCN(CCC(C)(C)C#N)CC2)nc1C ZINC000879679758 1137755006 /nfs/dbraw/zinc/75/50/06/1137755006.db2.gz SNOLOSNRHCSJLO-UHFFFAOYSA-N 0 3 349.500 3.748 20 30 EHEDHN N#CCOc1ccc(Cl)cc1CNC1([C@@H]2CCCCO2)CCC1 ZINC000879733365 1137756922 /nfs/dbraw/zinc/75/69/22/1137756922.db2.gz TZPBOSHCXGSALJ-KRWDZBQOSA-N 0 3 334.847 3.824 20 30 EHEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C#N)cc2Cl)cn1 ZINC000880518882 1137780534 /nfs/dbraw/zinc/78/05/34/1137780534.db2.gz ZWXAYXMTIDDTDY-ZNXRZULTSA-N 0 3 340.858 3.856 20 30 EHEDHN C=CCC[C@@H](NCc1ccncc1OCC(F)(F)F)[C@H]1CCCO1 ZINC000883220614 1137849206 /nfs/dbraw/zinc/84/92/06/1137849206.db2.gz MSXOQIZNZSVKNP-HUUCEWRRSA-N 0 3 344.377 3.626 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccccc2Cl)CC1 ZINC000106275834 1137883143 /nfs/dbraw/zinc/88/31/43/1137883143.db2.gz LVDFJIHCUFPUTG-UHFFFAOYSA-N 0 3 349.906 3.912 20 30 EHEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cccc(Oc3ccccc3)c1)C2 ZINC000884046822 1137898710 /nfs/dbraw/zinc/89/87/10/1137898710.db2.gz SYRZDTIKRQTRSX-TZQQIIETSA-N 0 3 347.418 3.557 20 30 EHEDHN C=C(C)COCCNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000134504551 1137959715 /nfs/dbraw/zinc/95/97/15/1137959715.db2.gz MRXLSGMIWORZOP-UHFFFAOYSA-N 0 3 346.471 3.667 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c(F)c1 ZINC000134785957 1137960770 /nfs/dbraw/zinc/96/07/70/1137960770.db2.gz ANRFLISJPUBPRT-QUCCMNQESA-N 0 3 342.389 3.925 20 30 EHEDHN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886229408 1138061168 /nfs/dbraw/zinc/06/11/68/1138061168.db2.gz PATIPQLQXSYXLK-OCCSQVGLSA-N 0 3 346.862 3.654 20 30 EHEDHN CC(C)(NCCC(=O)Nc1sccc1C#N)c1ccc(F)cc1F ZINC000886902194 1138171426 /nfs/dbraw/zinc/17/14/26/1138171426.db2.gz QBQBJSHGCCCJON-UHFFFAOYSA-N 0 3 349.406 3.751 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N([C@H](C)c2ccco2)C2CC2)CC1 ZINC000122161672 1138255393 /nfs/dbraw/zinc/25/53/93/1138255393.db2.gz IINXQEIUMFFEHR-OAHLLOKOSA-N 0 3 331.460 3.555 20 30 EHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3nccs3)n2)cc1 ZINC000338176969 1138776359 /nfs/dbraw/zinc/77/63/59/1138776359.db2.gz ADKJGNRYMPQTDX-GFCCVEGCSA-N 0 3 340.433 3.821 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](c2cccc(Cl)c2)C(C)C)CC1 ZINC000176522950 1139562534 /nfs/dbraw/zinc/56/25/34/1139562534.db2.gz CLKNOVNEOMGMNZ-SFHVURJKSA-N 0 3 334.891 3.846 20 30 EHEDHN N#Cc1ccc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)s1 ZINC000176960517 1139589406 /nfs/dbraw/zinc/58/94/06/1139589406.db2.gz BQXKLHCWHURVNC-UHFFFAOYSA-N 0 3 340.448 3.950 20 30 EHEDHN C=CCN1CCC(NC(=O)CCCc2ccc3ccccc3c2)CC1 ZINC000180479410 1139838149 /nfs/dbraw/zinc/83/81/49/1139838149.db2.gz AVKLUMAKRPXDMC-UHFFFAOYSA-N 0 3 336.479 3.929 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)s1 ZINC000180637769 1139852923 /nfs/dbraw/zinc/85/29/23/1139852923.db2.gz LKGXDCOIRDDAKJ-MAUKXSAKSA-N 0 3 330.428 3.847 20 30 EHEDHN CC(=O)Nc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181961954 1139942722 /nfs/dbraw/zinc/94/27/22/1139942722.db2.gz TWNLFGMMXAOQDI-UHFFFAOYSA-N 0 3 348.450 3.593 20 30 EHEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000266448961 1140689263 /nfs/dbraw/zinc/68/92/63/1140689263.db2.gz IVPLSZPCTFWIGQ-HOTGVXAUSA-N 0 3 338.451 3.704 20 30 EHEDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1NC(C)=O ZINC000268794587 1140993908 /nfs/dbraw/zinc/99/39/08/1140993908.db2.gz HKIQKMFTEQQBFQ-KGLIPLIRSA-N 0 3 337.423 3.937 20 30 EHEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(OC)c(OC)c1 ZINC000271523586 1141387753 /nfs/dbraw/zinc/38/77/53/1141387753.db2.gz VGOOXGCTKRRTQQ-GOSISDBHSA-N 0 3 340.423 3.847 20 30 EHEDHN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)(C)CCC#N ZINC000824261614 608569271 /nfs/dbraw/zinc/56/92/71/608569271.db2.gz NHFJHBIVKSYNDK-UHFFFAOYSA-N 0 3 340.475 3.655 20 30 EHEDHN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)(C)CCC#N ZINC000824261614 608569273 /nfs/dbraw/zinc/56/92/73/608569273.db2.gz NHFJHBIVKSYNDK-UHFFFAOYSA-N 0 3 340.475 3.655 20 30 EHEDHN CC(C)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)(C)CCC#N ZINC000824261614 608569275 /nfs/dbraw/zinc/56/92/75/608569275.db2.gz NHFJHBIVKSYNDK-UHFFFAOYSA-N 0 3 340.475 3.655 20 30 EHEDHN CC(C)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)(C)CCC#N ZINC000824261614 608569276 /nfs/dbraw/zinc/56/92/76/608569276.db2.gz NHFJHBIVKSYNDK-UHFFFAOYSA-N 0 3 340.475 3.655 20 30 EHEDHN CC(C)(C)c1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000430189901 1014711568 /nfs/dbraw/zinc/71/15/68/1014711568.db2.gz ZUYJFWOKQBHDMX-HNNXBMFYSA-N 0 3 341.480 3.966 20 30 EHEDHN CCc1ccc(CN2CCCN(c3ccccc3C#N)CC2)s1 ZINC000536684676 1032124388 /nfs/dbraw/zinc/12/43/88/1032124388.db2.gz XRCHSFYEMOADQB-UHFFFAOYSA-N 0 3 325.481 3.894 20 30 EHEDHN C=CCCCCCN1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001209422774 1016240965 /nfs/dbraw/zinc/24/09/65/1016240965.db2.gz IFCIPZDJNFGYOX-GOSISDBHSA-N 0 3 340.471 3.535 20 30 EHEDHN CN(C)Cc1ccc(-c2noc(-c3ccc4c(C#N)c[nH]c4c3)n2)cc1 ZINC000904622885 1032145257 /nfs/dbraw/zinc/14/52/57/1032145257.db2.gz FHCRMQBSRZGXDV-UHFFFAOYSA-N 0 3 343.390 3.818 20 30 EHEDHN Cc1nc2c(n1[C@@H]1CCN(Cc3cc(C#N)ccc3F)C1)CCCC2 ZINC000275346709 1016507750 /nfs/dbraw/zinc/50/77/50/1016507750.db2.gz SMKRSZGJZRVMRL-QGZVFWFLSA-N 0 3 338.430 3.528 20 30 EHEDHN N#Cc1ccc(NC(=O)CN2CCC[C@H]2CC2CCCCC2)cc1 ZINC001167252011 1016777692 /nfs/dbraw/zinc/77/76/92/1016777692.db2.gz PWYVJTMAETUWII-IBGZPJMESA-N 0 3 325.456 3.932 20 30 EHEDHN N#CC(=C([O-])c1ccc(C[NH+]2CCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000340364077 1017038652 /nfs/dbraw/zinc/03/86/52/1017038652.db2.gz XGPQHEORJQOFJO-QGZVFWFLSA-N 0 3 344.418 3.649 20 30 EHEDHN N#C[C@H](C(=O)c1ccc(CN2CCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000340364077 1017038663 /nfs/dbraw/zinc/03/86/63/1017038663.db2.gz XGPQHEORJQOFJO-QGZVFWFLSA-N 0 3 344.418 3.649 20 30 EHEDHN C=CC(C)(C)C[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459571090 1032296730 /nfs/dbraw/zinc/29/67/30/1032296730.db2.gz FLDJXBJVGAPIKP-UHFFFAOYSA-N 0 3 328.250 3.855 20 30 EHEDHN N#Cc1ccc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459640606 1032359988 /nfs/dbraw/zinc/35/99/88/1032359988.db2.gz LQUADWCZRQFJHP-INIZCTEOSA-N 0 3 338.373 3.739 20 30 EHEDHN C=CCC1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCC1 ZINC000377048608 1017286232 /nfs/dbraw/zinc/28/62/32/1017286232.db2.gz SVLFCFVVSOIKQQ-UHFFFAOYSA-N 0 3 344.421 3.654 20 30 EHEDHN Cc1ccccc1[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000537290767 1032597105 /nfs/dbraw/zinc/59/71/05/1032597105.db2.gz JXVLAHPBPMMTDE-APWZRJJASA-N 0 3 339.483 3.767 20 30 EHEDHN COc1ccc(CN2CCSC[C@@H]2C2CC2)cc1OCCCC#N ZINC000449529591 1032702645 /nfs/dbraw/zinc/70/26/45/1032702645.db2.gz YFNIGZMKVBJIRC-QGZVFWFLSA-N 0 3 346.496 3.705 20 30 EHEDHN N#Cc1ccccc1OCCN1CCC(OCC2CCCC2)CC1 ZINC000177495937 1017681138 /nfs/dbraw/zinc/68/11/38/1017681138.db2.gz RQKLWNVWYCRTQL-UHFFFAOYSA-N 0 3 328.456 3.608 20 30 EHEDHN N#Cc1ccc(CN[C@H]2c3ccccc3CC23CCOCC3)cc1F ZINC000377649222 1018122162 /nfs/dbraw/zinc/12/21/62/1018122162.db2.gz VNYKEMKSYGIIIF-FQEVSTJZSA-N 0 3 336.410 3.881 20 30 EHEDHN CCC(=O)Nc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000728711740 1018369248 /nfs/dbraw/zinc/36/92/48/1018369248.db2.gz OWOYYSSEHPQQOA-OAHLLOKOSA-N 0 3 337.423 3.616 20 30 EHEDHN CCC(=O)Nc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000728711737 1018370467 /nfs/dbraw/zinc/37/04/67/1018370467.db2.gz OWOYYSSEHPQQOA-HNNXBMFYSA-N 0 3 337.423 3.616 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133030 1018530291 /nfs/dbraw/zinc/53/02/91/1018530291.db2.gz ACJNTGMSSCASMT-PZJWPPBQSA-N 0 3 344.499 3.511 20 30 EHEDHN CN(CCOc1ccccc1C#N)Cc1ccccc1N1CCCC1 ZINC000050049710 1018825572 /nfs/dbraw/zinc/82/55/72/1018825572.db2.gz FASOXANGGJQLFC-UHFFFAOYSA-N 0 3 335.451 3.669 20 30 EHEDHN CSc1ccccc1CN(C)CCC(=O)Nc1ccccc1C#N ZINC000280309076 1020300918 /nfs/dbraw/zinc/30/09/18/1020300918.db2.gz FYTKAKACKMZHBL-UHFFFAOYSA-N 0 3 339.464 3.741 20 30 EHEDHN COc1ccc(CNCc2cccc(C#N)c2)cc1OCCCC#N ZINC000066971934 1020590286 /nfs/dbraw/zinc/59/02/86/1020590286.db2.gz HQHZALLJSQNSPC-UHFFFAOYSA-N 0 3 335.407 3.539 20 30 EHEDHN Cc1ccnc(NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1C#N ZINC000340923679 1020622715 /nfs/dbraw/zinc/62/27/15/1020622715.db2.gz WKAFLLHCEDTEQR-IBGZPJMESA-N 0 3 338.455 3.764 20 30 EHEDHN CC(C)(C)OC(=O)c1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000581608522 1021146023 /nfs/dbraw/zinc/14/60/23/1021146023.db2.gz RJHIXGVLOBQTPE-UHFFFAOYSA-N 0 3 336.435 3.998 20 30 EHEDHN C=CCC[C@@H](NCc1ccccc1CN1CCOCC1)c1ccco1 ZINC000276487287 1021478613 /nfs/dbraw/zinc/47/86/13/1021478613.db2.gz TUNYHKCHSPRVPU-HXUWFJFHSA-N 0 3 340.467 3.909 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000440644834 1021686554 /nfs/dbraw/zinc/68/65/54/1021686554.db2.gz LDXPGJBELHJJBN-WIYYLYMNSA-N 0 3 341.499 3.734 20 30 EHEDHN COc1ccc(CN2CCC[C@@H](OC(C)C)C2)cc1OCCCC#N ZINC000593661975 1032999377 /nfs/dbraw/zinc/99/93/77/1032999377.db2.gz ZSSLOIBIIYYXHB-GOSISDBHSA-N 0 3 346.471 3.767 20 30 EHEDHN CN(CCOc1cccc(C#N)c1)Cc1cccc(Br)c1 ZINC000048443326 1021838039 /nfs/dbraw/zinc/83/80/39/1021838039.db2.gz NOWNOLYDAZWJOQ-UHFFFAOYSA-N 0 3 345.240 3.832 20 30 EHEDHN CN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000516955952 1021892270 /nfs/dbraw/zinc/89/22/70/1021892270.db2.gz SVLGBHKXLXYJRH-RTBURBONSA-N 0 3 339.483 3.597 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)cc3cccnc32)CC1 ZINC000519342599 1022023632 /nfs/dbraw/zinc/02/36/32/1022023632.db2.gz CLKGKIZUBUHLNO-UHFFFAOYSA-N 0 3 344.846 3.660 20 30 EHEDHN CC1(C)CC[C@H](NC(=O)[C@H](N)CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000602613291 1033028634 /nfs/dbraw/zinc/02/86/34/1033028634.db2.gz PUOCUMQGBCFINM-QRVBRYPASA-N 0 3 341.499 3.876 20 30 EHEDHN C[C@H]1CCCC[C@H]1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000520394006 1022183929 /nfs/dbraw/zinc/18/39/29/1022183929.db2.gz VYIKONBIZWYUOT-PXNSSMCTSA-N 0 3 341.499 3.665 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000517318037 1022239829 /nfs/dbraw/zinc/23/98/29/1022239829.db2.gz DBBJMPWLNBGEAA-IEBWSBKVSA-N 0 3 335.536 3.931 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000517384667 1022297769 /nfs/dbraw/zinc/29/77/69/1022297769.db2.gz HMOOODUQYZYCFN-ROUUACIJSA-N 0 3 348.437 3.711 20 30 EHEDHN CCOC(=O)c1ccc(CN[C@H](CCCC#N)c2ccccc2)[nH]1 ZINC000602668862 1033065954 /nfs/dbraw/zinc/06/59/54/1033065954.db2.gz GKELUVMOSQAFCM-QGZVFWFLSA-N 0 3 325.412 3.716 20 30 EHEDHN CN(C)CCN(C(=O)Nc1ccc(C#N)cc1Cl)C1CCCC1 ZINC000426147867 1022995751 /nfs/dbraw/zinc/99/57/51/1022995751.db2.gz FMAIXNQNWMWXKT-UHFFFAOYSA-N 0 3 334.851 3.550 20 30 EHEDHN C[C@H](CCc1ccccc1)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507163494 1023157773 /nfs/dbraw/zinc/15/77/73/1023157773.db2.gz GPPNNNKXMWYBDX-QGZVFWFLSA-N 0 3 337.442 3.841 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC000441484569 1023169886 /nfs/dbraw/zinc/16/98/86/1023169886.db2.gz JTFSJKPQZWETCB-QUCCMNQESA-N 0 3 339.483 3.815 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCc1cccc2ccccc21 ZINC000507277292 1023228342 /nfs/dbraw/zinc/22/83/42/1023228342.db2.gz JAGFEDOGOOMHLU-SFHVURJKSA-N 0 3 336.479 3.903 20 30 EHEDHN C=CCC[C@H](NCc1cc(=O)n2cc(C)ccc2n1)c1ccccc1 ZINC000341929377 1023231911 /nfs/dbraw/zinc/23/19/11/1023231911.db2.gz KHWGCCMYZRQJRR-IBGZPJMESA-N 0 3 333.435 3.800 20 30 EHEDHN Cc1ccccc1NC(=O)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000449734158 1033126819 /nfs/dbraw/zinc/12/68/19/1033126819.db2.gz ACTYKGRKHGYTBI-CQSZACIVSA-N 0 3 325.387 3.513 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000280819197 1023959270 /nfs/dbraw/zinc/95/92/70/1023959270.db2.gz NEXANHHXPYSMCK-KNBMTAEXSA-N 0 3 340.471 3.516 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ncc(Br)s1 ZINC000280819026 1023960255 /nfs/dbraw/zinc/96/02/55/1023960255.db2.gz NATGFAAIJFBZBP-SCVCMEIPSA-N 0 3 331.279 3.537 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000151031224 1024014291 /nfs/dbraw/zinc/01/42/91/1024014291.db2.gz PVDVHJCCLAZRBX-IBGZPJMESA-N 0 3 341.499 3.749 20 30 EHEDHN C[C@H]1CN(CCCCNc2cccc(C(F)F)c2C#N)C[C@H](C)O1 ZINC000520669560 1024389947 /nfs/dbraw/zinc/38/99/47/1024389947.db2.gz VVDNWPCHPNXSSJ-KBPBESRZSA-N 0 3 337.414 3.797 20 30 EHEDHN N#Cc1cccc([N+](=O)[O-])c1NC1CCN(Cc2ccccc2)CC1 ZINC000425201300 1024437298 /nfs/dbraw/zinc/43/72/98/1024437298.db2.gz NJNZNOXEYSMJML-UHFFFAOYSA-N 0 3 336.395 3.543 20 30 EHEDHN C[C@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000434892454 1024476770 /nfs/dbraw/zinc/47/67/70/1024476770.db2.gz RPKIDGQUMODHTC-HNAYVOBHSA-N 0 3 344.418 3.986 20 30 EHEDHN N#Cc1ccc(C2(NCc3cccc4c3NCCC4)CCOCC2)cc1 ZINC000895405544 1024477552 /nfs/dbraw/zinc/47/75/52/1024477552.db2.gz KXKKKPRQKKAJMU-UHFFFAOYSA-N 0 3 347.462 3.712 20 30 EHEDHN C#CCC1(O)CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000895674670 1024706988 /nfs/dbraw/zinc/70/69/88/1024706988.db2.gz CIUBFLBTPMDZBO-UHFFFAOYSA-N 0 3 329.827 3.950 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)Cc1ccc(Cl)cc1 ZINC000514858371 1024813263 /nfs/dbraw/zinc/81/32/63/1024813263.db2.gz HBSQYVASPJTYLS-LJQANCHMSA-N 0 3 345.870 3.940 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(OC)c(O[C@@H](C)CC)c2)CC1 ZINC000895835644 1024899891 /nfs/dbraw/zinc/89/98/91/1024899891.db2.gz KBCBIMFSSKDZPX-INIZCTEOSA-N 0 3 333.472 3.776 20 30 EHEDHN C=CCOc1cccc(CNC2(C(=O)NCCC)CCCCC2)c1 ZINC000428073286 1024972585 /nfs/dbraw/zinc/97/25/85/1024972585.db2.gz UWDIHZGJNPQNQA-UHFFFAOYSA-N 0 3 330.472 3.570 20 30 EHEDHN N#Cc1cccc(CNC(=O)CN2CCCCC[C@@H]2c2ccccc2)c1 ZINC000521188155 1025261187 /nfs/dbraw/zinc/26/11/87/1025261187.db2.gz OEBRJVSWQKKKOK-OAQYLSRUSA-N 0 3 347.462 3.792 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)C[C@H]2c2ccccc2)CC1 ZINC000425445841 1025320227 /nfs/dbraw/zinc/32/02/27/1025320227.db2.gz DFUJKYILXRJRAD-IBGZPJMESA-N 0 3 341.499 3.820 20 30 EHEDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc(C#N)ccc1Cl ZINC000586092667 1025493488 /nfs/dbraw/zinc/49/34/88/1025493488.db2.gz VRAKCBBHGJJBBO-UHFFFAOYSA-N 0 3 343.814 3.534 20 30 EHEDHN CCCN(Cc1cc(Br)ccc1C#N)C1CCOCC1 ZINC001141904779 1025789335 /nfs/dbraw/zinc/78/93/35/1025789335.db2.gz DBDSXODNXAGSLA-UHFFFAOYSA-N 0 3 337.261 3.712 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1nccc(C#N)c1Cl ZINC000342352982 1025858665 /nfs/dbraw/zinc/85/86/65/1025858665.db2.gz VNMKBQMIHGKDLG-OAHLLOKOSA-N 0 3 340.858 3.707 20 30 EHEDHN Cc1nnc([C@@H]2CCCN([C@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)[nH]1 ZINC000329505772 1025936073 /nfs/dbraw/zinc/93/60/73/1025936073.db2.gz ZKVDIKFBGCOQFA-GDBMZVCRSA-N 0 3 341.459 3.586 20 30 EHEDHN O=C(CN[C@@H]1c2ccccc2CC12CCOCC2)NC1CCCCC1 ZINC000329528282 1025958833 /nfs/dbraw/zinc/95/88/33/1025958833.db2.gz SOMLORKSXLJQEW-HXUWFJFHSA-N 0 3 342.483 3.959 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)N(C)C)cc1 ZINC000475311877 1026468087 /nfs/dbraw/zinc/46/80/87/1026468087.db2.gz AAPHRGNISNOFLQ-FQEVSTJZSA-N 0 3 349.478 3.829 20 30 EHEDHN C=CCCC1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000475373165 1026528699 /nfs/dbraw/zinc/52/86/99/1026528699.db2.gz WEPMHXRURQBMGE-IBGZPJMESA-N 0 3 326.484 3.995 20 30 EHEDHN C[C@](C#N)(NC(=O)CN(Cc1ccccc1)C1CCCCC1)C1CC1 ZINC000054255646 1026584287 /nfs/dbraw/zinc/58/42/87/1026584287.db2.gz JQUNUGPCJSFRJT-OAQYLSRUSA-N 0 3 339.483 3.630 20 30 EHEDHN C=CCCn1cc(CN[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)nn1 ZINC000657486732 1026723346 /nfs/dbraw/zinc/72/33/46/1026723346.db2.gz ISBOJPAWHKZUKJ-DOTOQJQBSA-N 0 3 330.863 3.934 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000152939285 1026820318 /nfs/dbraw/zinc/82/03/18/1026820318.db2.gz DVZLCHHVEBOYJD-SFHVURJKSA-N 0 3 345.487 3.947 20 30 EHEDHN COc1cc(C#N)ccc1CN(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000501207972 1027136346 /nfs/dbraw/zinc/13/63/46/1027136346.db2.gz WEFAWBJQDQPKIL-FQEVSTJZSA-N 0 3 335.451 3.668 20 30 EHEDHN COCCc1nc(C)c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618805903 1027678767 /nfs/dbraw/zinc/67/87/67/1027678767.db2.gz PKDPMDIVLOJNMJ-PXAZEXFGSA-N 0 3 341.480 3.850 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C)CC1 ZINC000068829134 1028409017 /nfs/dbraw/zinc/40/90/17/1028409017.db2.gz IWJLHDVEWCKYFB-CVEARBPZSA-N 0 3 331.435 3.583 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC(C)(C)C ZINC000504304549 1028551984 /nfs/dbraw/zinc/55/19/84/1028551984.db2.gz OIAVOHCHLGXJOU-UHFFFAOYSA-N 0 3 329.488 3.665 20 30 EHEDHN C[C@H]1CN(Cc2cccc(OCc3ccccc3C#N)c2)CCCO1 ZINC000513755405 1028685423 /nfs/dbraw/zinc/68/54/23/1028685423.db2.gz SHGARJVWCOBCBE-KRWDZBQOSA-N 0 3 336.435 3.748 20 30 EHEDHN Cc1noc2nc(C(C)C)cc(C(=O)C(C#N)c3cc(C)nc(C)n3)c12 ZINC000523957798 1028743060 /nfs/dbraw/zinc/74/30/60/1028743060.db2.gz JESUVMZSFQHVQR-AWEZNQCLSA-N 0 3 349.394 3.552 20 30 EHEDHN C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424099229 1028799394 /nfs/dbraw/zinc/79/93/94/1028799394.db2.gz UXHMSQKLWSCDIN-NVXWUHKLSA-N 0 3 341.480 3.859 20 30 EHEDHN C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424097718 1028800492 /nfs/dbraw/zinc/80/04/92/1028800492.db2.gz BIYZMCVPTFISRR-FOIQADDNSA-N 0 3 335.451 3.913 20 30 EHEDHN CC(C)(C)c1ccc(C2(CNC(=O)[C@@H](N)CCCC#N)CCC2)cc1 ZINC000424111009 1028806420 /nfs/dbraw/zinc/80/64/20/1028806420.db2.gz FFLYEEVERCVAST-SFHVURJKSA-N 0 3 341.499 3.543 20 30 EHEDHN C[C@H](Oc1ccccc1NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424125940 1028822223 /nfs/dbraw/zinc/82/22/23/1028822223.db2.gz OJJVDGZUGCWESN-DOTOQJQBSA-N 0 3 337.423 3.786 20 30 EHEDHN CC(=O)c1ccc(C#N)cc1N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000324216285 1028882735 /nfs/dbraw/zinc/88/27/35/1028882735.db2.gz YGWHYKXFWKBCHA-KRWDZBQOSA-N 0 3 347.462 3.719 20 30 EHEDHN C=CCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000615001397 1029227257 /nfs/dbraw/zinc/22/72/57/1029227257.db2.gz DYDONCZBRBONCL-IBGZPJMESA-N 0 3 335.451 3.513 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000524668272 1029427590 /nfs/dbraw/zinc/42/75/90/1029427590.db2.gz BIPIVLPEYYKDNA-MSOLQXFVSA-N 0 3 335.536 3.931 20 30 EHEDHN CC[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccsc1 ZINC000453198232 1029898763 /nfs/dbraw/zinc/89/87/63/1029898763.db2.gz PKYBHDIBMINXBP-QZTJIDSGSA-N 0 3 339.464 3.856 20 30 EHEDHN CC[C@@H](Cc1ccccc1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000525635120 1029985490 /nfs/dbraw/zinc/98/54/90/1029985490.db2.gz IIIYGHFFJPWVFC-FQEVSTJZSA-N 0 3 349.478 3.886 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000453367719 1030182923 /nfs/dbraw/zinc/18/29/23/1030182923.db2.gz RSTMAHUUCNDAEE-ZTNFWEORSA-N 0 3 325.456 3.792 20 30 EHEDHN CC[C@H](N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447587805 1030321457 /nfs/dbraw/zinc/32/14/57/1030321457.db2.gz RPVFRXXQGCAYTA-RYGJVYDSSA-N 0 3 333.435 3.793 20 30 EHEDHN COCC1=CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000482501195 1030480996 /nfs/dbraw/zinc/48/09/96/1030480996.db2.gz BLMOSXVFICITQQ-UHFFFAOYSA-N 0 3 348.446 3.916 20 30 EHEDHN CN1CCCC(C)(C)[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000447810725 1030510328 /nfs/dbraw/zinc/51/03/28/1030510328.db2.gz AMVWZZSKIQAKJH-ZDUSSCGKSA-N 0 3 326.366 3.504 20 30 EHEDHN CCSCC[C@H](C)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447884935 1030563704 /nfs/dbraw/zinc/56/37/04/1030563704.db2.gz BGGGUWBTUJEKQP-YJBOKZPZSA-N 0 3 345.512 3.517 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@H](C)c1cccc(O)c1 ZINC000246816585 1030735006 /nfs/dbraw/zinc/73/50/06/1030735006.db2.gz NNVAVHOWNXLCNV-OXQOHEQNSA-N 0 3 341.451 3.553 20 30 EHEDHN C[C@H]1C[C@H](c2ccccc2)CN1CC(=O)N(CCC#N)c1ccccc1 ZINC000115556179 1030881975 /nfs/dbraw/zinc/88/19/75/1030881975.db2.gz RFPOVMNHNCVWQF-ICSRJNTNSA-N 0 3 347.462 3.811 20 30 EHEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000026227474 1031391993 /nfs/dbraw/zinc/39/19/93/1031391993.db2.gz KWSGIQXWOMVUPD-ZDUSSCGKSA-N 0 3 327.815 3.891 20 30 EHEDHN C[C@@H](C1CC1)N(CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1 ZINC000052795372 1031676220 /nfs/dbraw/zinc/67/62/20/1031676220.db2.gz LPIDFJBNSKAMIQ-KRWDZBQOSA-N 0 3 339.483 3.630 20 30 EHEDHN C=CCNC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000477648102 1031750190 /nfs/dbraw/zinc/75/01/90/1031750190.db2.gz XLAVCVIKQGZMAQ-UHFFFAOYSA-N 0 3 340.389 3.757 20 30 EHEDHN CN(C)C[C@H](Nc1ncccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000528213455 1031951658 /nfs/dbraw/zinc/95/16/58/1031951658.db2.gz OVGDQSUOQYEVIH-HNNXBMFYSA-N 0 3 335.238 3.975 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000594432070 1033368866 /nfs/dbraw/zinc/36/88/66/1033368866.db2.gz WPADSQOQWUXPFG-INIZCTEOSA-N 0 3 341.386 3.968 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000594432686 1033369278 /nfs/dbraw/zinc/36/92/78/1033369278.db2.gz GACCVFMLNZBDJB-LEWJYISDSA-N 0 3 347.462 3.724 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000594432000 1033369675 /nfs/dbraw/zinc/36/96/75/1033369675.db2.gz UUBHCDFRFYLKOJ-GOSISDBHSA-N 0 3 345.462 3.555 20 30 EHEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H](N)CCCCC#N ZINC000594433108 1033370961 /nfs/dbraw/zinc/37/09/61/1033370961.db2.gz LRMSPHKDOYNZQP-RBUKOAKNSA-N 0 3 329.488 3.576 20 30 EHEDHN Cc1ccccc1C1(CNC(=O)[C@@H](N)CCCCC#N)CCCCC1 ZINC000594436471 1033372075 /nfs/dbraw/zinc/37/20/75/1033372075.db2.gz JLYKEVQMXPRILL-IBGZPJMESA-N 0 3 341.499 3.724 20 30 EHEDHN Cc1c2ccccc2oc1[C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C ZINC000594434712 1033373238 /nfs/dbraw/zinc/37/32/38/1033373238.db2.gz RWWBWQHWZJYPPW-FUHWJXTLSA-N 0 3 341.455 3.966 20 30 EHEDHN CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594440404 1033375918 /nfs/dbraw/zinc/37/59/18/1033375918.db2.gz ZBDDKKHTFHIDIT-PBHICJAKSA-N 0 3 333.501 3.776 20 30 EHEDHN COC(=O)c1ccc2c(c1)[C@H](N[C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000594499762 1033402402 /nfs/dbraw/zinc/40/24/02/1033402402.db2.gz JAHCJVZJCHTSHG-RTWAWAEBSA-N 0 3 346.430 3.999 20 30 EHEDHN C[C@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C(=O)N1c1ccccc1 ZINC000594511304 1033418285 /nfs/dbraw/zinc/41/82/85/1033418285.db2.gz FDDDTDMOBPTIQX-OXJNMPFZSA-N 0 3 347.462 3.771 20 30 EHEDHN N#CC1(c2ccc(CNCc3ccc(N4CCCCC4)nc3)cc2)CC1 ZINC000594926163 1033549554 /nfs/dbraw/zinc/54/95/54/1033549554.db2.gz SRQXIOJPPOABKO-UHFFFAOYSA-N 0 3 346.478 3.917 20 30 EHEDHN CC(C)(C#N)CCCCN1CCc2nccc(Br)c2C1 ZINC000598946456 1033583926 /nfs/dbraw/zinc/58/39/26/1033583926.db2.gz RYYCFHHCOVJWOT-UHFFFAOYSA-N 0 3 336.277 3.922 20 30 EHEDHN COCCN(CCOc1cc(C)cc(C)c1)Cc1ccc(C#N)cc1 ZINC000063754104 1033667208 /nfs/dbraw/zinc/66/72/08/1033667208.db2.gz WHWNENPDAGDVFD-UHFFFAOYSA-N 0 3 338.451 3.703 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(CCCC2)C1 ZINC000174265073 1033854264 /nfs/dbraw/zinc/85/42/64/1033854264.db2.gz HIVXCFANEHJLFX-INIZCTEOSA-N 0 3 343.446 3.727 20 30 EHEDHN CC[C@H](C)N(CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000595597875 1033913807 /nfs/dbraw/zinc/91/38/07/1033913807.db2.gz BWECGRNZBSAQCA-CABCVRRESA-N 0 3 333.501 3.997 20 30 EHEDHN N#Cc1cccc(NC[C@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000450217276 1033918806 /nfs/dbraw/zinc/91/88/06/1033918806.db2.gz SPPRHIZWDQHRDO-OAHLLOKOSA-N 0 3 342.424 3.777 20 30 EHEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000595657741 1033937655 /nfs/dbraw/zinc/93/76/55/1033937655.db2.gz BPUFUJJIKQSTBS-MSOLQXFVSA-N 0 3 325.456 3.610 20 30 EHEDHN CN(c1nc(C#N)c(Cl)s1)C1CCN(Cc2ccccc2)CC1 ZINC000596127320 1034083431 /nfs/dbraw/zinc/08/34/31/1034083431.db2.gz WVVAYTRJSWZSSI-UHFFFAOYSA-N 0 3 346.887 3.769 20 30 EHEDHN CN(CCOc1cccc(Br)c1)Cc1cccc(C#N)c1 ZINC000057359156 1034152617 /nfs/dbraw/zinc/15/26/17/1034152617.db2.gz GJZYNCMVCKPSHX-UHFFFAOYSA-N 0 3 345.240 3.832 20 30 EHEDHN C=CCCC1(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000456321548 1034326671 /nfs/dbraw/zinc/32/66/71/1034326671.db2.gz CVJNGVORHWIANS-SFHVURJKSA-N 0 3 326.484 3.713 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccc(C)o1 ZINC000604776390 1034489386 /nfs/dbraw/zinc/48/93/86/1034489386.db2.gz YJPJPSSKEAYFSA-RTBURBONSA-N 0 3 341.451 3.893 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC000171776681 1034616696 /nfs/dbraw/zinc/61/66/96/1034616696.db2.gz DRIVWDXPZRVPHQ-AEFFLSMTSA-N 0 3 326.440 3.512 20 30 EHEDHN C[C@@H](CC#N)C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000597358156 1034710388 /nfs/dbraw/zinc/71/03/88/1034710388.db2.gz ZGTNQVTXWRSWHP-IBGZPJMESA-N 0 3 349.478 3.697 20 30 EHEDHN CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000597391358 1034729655 /nfs/dbraw/zinc/72/96/55/1034729655.db2.gz ZDEHSVUHYCNIRQ-IBGZPJMESA-N 0 3 339.483 3.583 20 30 EHEDHN C=CCOc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000060579235 1034788875 /nfs/dbraw/zinc/78/88/75/1034788875.db2.gz BFFKMEQINYYTBM-UHFFFAOYSA-N 0 3 342.483 3.590 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N2CCN(Cc3ccccc3)C[C@H](C)C2)c1 ZINC000450812703 1034821709 /nfs/dbraw/zinc/82/17/09/1034821709.db2.gz QTCBFWFSNPZQKB-KRWDZBQOSA-N 0 3 347.462 3.719 20 30 EHEDHN N#CC(C(=O)CC[C@H]1CCc2ccccc21)C(=O)Nc1ccccc1 ZINC000892494176 1034901156 /nfs/dbraw/zinc/90/11/56/1034901156.db2.gz BEWIYWDLWCGIDG-APWZRJJASA-N 0 3 332.403 3.844 20 30 EHEDHN FC(F)(F)c1ccc(C#CCNCc2ccc3[nH]cnc3c2)cc1 ZINC000540802900 1035698755 /nfs/dbraw/zinc/69/87/55/1035698755.db2.gz BOCDDXYHEQSGBD-UHFFFAOYSA-N 0 3 329.325 3.723 20 30 EHEDHN FC(F)(F)c1ccc(C#CCNCc2ccc3nc[nH]c3c2)cc1 ZINC000540802900 1035698764 /nfs/dbraw/zinc/69/87/64/1035698764.db2.gz BOCDDXYHEQSGBD-UHFFFAOYSA-N 0 3 329.325 3.723 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(-n2ccnn2)c1 ZINC000588230951 1035827771 /nfs/dbraw/zinc/82/77/71/1035827771.db2.gz PDBRPQFUPLGDRD-CYBMUJFWSA-N 0 3 337.814 3.643 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCCCC#N ZINC000588381310 1035916415 /nfs/dbraw/zinc/91/64/15/1035916415.db2.gz VPWJVECVKJUVIV-SFHVURJKSA-N 0 3 327.472 3.583 20 30 EHEDHN COC(=O)c1cccc(CN2C[C@H](c3ccccc3)C[C@H]2C)c1C#N ZINC000535203893 1036158431 /nfs/dbraw/zinc/15/84/31/1036158431.db2.gz BAQNMEHYRQGAPJ-CRAIPNDOSA-N 0 3 334.419 3.723 20 30 EHEDHN Cc1c(Cl)cnc(N2CCCN(Cc3ccccc3)CC2)c1C#N ZINC000541347603 1036223951 /nfs/dbraw/zinc/22/39/51/1036223951.db2.gz AMPFCJQCMUFDJP-UHFFFAOYSA-N 0 3 340.858 3.627 20 30 EHEDHN Cn1ccnc1C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000589340514 1036351914 /nfs/dbraw/zinc/35/19/14/1036351914.db2.gz IHVXAPFBTFPUBQ-LEWJYISDSA-N 0 3 342.446 3.853 20 30 EHEDHN C=C[C@@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000535371957 1036407112 /nfs/dbraw/zinc/40/71/12/1036407112.db2.gz MMOUQJZURRGXKU-FPOVZHCZSA-N 0 3 334.463 3.737 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CO[C@@H](C)CC)cc1 ZINC000152383046 1036489010 /nfs/dbraw/zinc/48/90/10/1036489010.db2.gz CHZGSKNIWTVLAV-JKIFEVAISA-N 0 3 330.428 3.663 20 30 EHEDHN Cc1ccccc1[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000539493998 1036800101 /nfs/dbraw/zinc/80/01/01/1036800101.db2.gz VLKHYXHMZXAWDQ-FOIQADDNSA-N 0 3 333.435 3.935 20 30 EHEDHN CC[C@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)N(C)C ZINC000542059499 1037019896 /nfs/dbraw/zinc/01/98/96/1037019896.db2.gz NUHUCSNLXRYJJJ-MGPUTAFESA-N 0 3 335.451 3.743 20 30 EHEDHN N#Cc1csc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)c1 ZINC000176460397 1037091354 /nfs/dbraw/zinc/09/13/54/1037091354.db2.gz IECMZJRLPCNTIN-HNNXBMFYSA-N 0 3 345.383 3.734 20 30 EHEDHN C=CCOC(=O)N[C@H]1CCCN([C@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168193735 1037191407 /nfs/dbraw/zinc/19/14/07/1037191407.db2.gz QNUNAHNERATKOV-PBHICJAKSA-N 0 3 336.863 3.648 20 30 EHEDHN CC(CCN1CCC[C@@](C)(C#N)C1)CCN1CCC[C@@](C)(C#N)C1 ZINC000591026524 1037207984 /nfs/dbraw/zinc/20/79/84/1037207984.db2.gz JKXHYCOPCBDYFF-PMACEKPBSA-N 0 3 330.520 3.654 20 30 EHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@H]1CC=CCC1 ZINC000542247724 1037213277 /nfs/dbraw/zinc/21/32/77/1037213277.db2.gz PMUDYCGNHLLAFT-KGLIPLIRSA-N 0 3 331.847 3.827 20 30 EHEDHN C#C[C@H](NC1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000491776479 1037683689 /nfs/dbraw/zinc/68/36/89/1037683689.db2.gz WDVWAARQNRWKIE-SFHVURJKSA-N 0 3 325.843 3.668 20 30 EHEDHN CCCN(C(=O)N[C@H](CCCC#N)c1ccccc1)[C@H]1CCN(C)C1 ZINC000592024911 1037807605 /nfs/dbraw/zinc/80/76/05/1037807605.db2.gz HEBQKSYISZENIK-RBUKOAKNSA-N 0 3 342.487 3.547 20 30 EHEDHN CC(C)(C)C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(F)cc1 ZINC000540354104 1037834715 /nfs/dbraw/zinc/83/47/15/1037834715.db2.gz LEYRCJXVNRFKGB-YLJYHZDGSA-N 0 3 345.462 3.701 20 30 EHEDHN N#CCCN(C(=O)CN1CCCC[C@H]1C1CCC1)c1ccccc1 ZINC000592197693 1037860474 /nfs/dbraw/zinc/86/04/74/1037860474.db2.gz HGWYBTUZIJPSNY-IBGZPJMESA-N 0 3 325.456 3.588 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)n1 ZINC000041515340 1038115800 /nfs/dbraw/zinc/11/58/00/1038115800.db2.gz OAOOZTBHXMOETC-NZVBXONLSA-N 0 3 339.420 3.536 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)n1 ZINC000041515336 1038116462 /nfs/dbraw/zinc/11/64/62/1038116462.db2.gz OAOOZTBHXMOETC-COLVAYQJSA-N 0 3 339.420 3.536 20 30 EHEDHN C=C(CC)CN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000539220953 1038737544 /nfs/dbraw/zinc/73/75/44/1038737544.db2.gz PMCYULYPVFDFJL-INIZCTEOSA-N 0 3 340.389 3.925 20 30 EHEDHN CCN(Cc1cccc(C#N)c1F)[C@H](COC)Cc1ccccc1 ZINC000539250048 1038742929 /nfs/dbraw/zinc/74/29/29/1038742929.db2.gz VKSLGHIBRYPVKS-IBGZPJMESA-N 0 3 326.415 3.777 20 30 EHEDHN C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000539243178 1038749183 /nfs/dbraw/zinc/74/91/83/1038749183.db2.gz JYQPNEKAKUXXLL-MRXNPFEDSA-N 0 3 343.430 3.678 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000539335323 1038785543 /nfs/dbraw/zinc/78/55/43/1038785543.db2.gz HYQSLLXENJRJTO-LPHOPBHVSA-N 0 3 329.488 3.680 20 30 EHEDHN C=C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000462187226 1038827090 /nfs/dbraw/zinc/82/70/90/1038827090.db2.gz IMNLPAVYHHOOQS-SYYKKAFVSA-N 0 3 348.490 3.983 20 30 EHEDHN Cc1cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccc1C#N ZINC000488273513 1039027279 /nfs/dbraw/zinc/02/72/79/1039027279.db2.gz PZMXREGRFJGAIF-INIZCTEOSA-N 0 3 348.372 3.919 20 30 EHEDHN C[C@H]1CN(c2ccc(C#N)cc2Br)CCN(C2CCC2)C1 ZINC000488713314 1039354554 /nfs/dbraw/zinc/35/45/54/1039354554.db2.gz BZIVDLUTRMKLTQ-CYBMUJFWSA-N 0 3 348.288 3.631 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cc2SC)CC1 ZINC000417225359 1039556627 /nfs/dbraw/zinc/55/66/27/1039556627.db2.gz JHNGOYHZQCOGFZ-UHFFFAOYSA-N 0 3 333.501 3.879 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(SC)c2)CC1 ZINC000417296388 1039652724 /nfs/dbraw/zinc/65/27/24/1039652724.db2.gz QCPLAOOHSHKMDJ-UHFFFAOYSA-N 0 3 339.892 3.834 20 30 EHEDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000553054131 1039736706 /nfs/dbraw/zinc/73/67/06/1039736706.db2.gz JMWCUMAAJVOWHG-PMACEKPBSA-N 0 3 338.451 3.678 20 30 EHEDHN Cc1ccc(C)c(OC[C@@H](O)CN[C@@H](CCC#N)c2ccccc2)c1 ZINC000553054896 1039737997 /nfs/dbraw/zinc/73/79/97/1039737997.db2.gz WTWJNYOOFNWTAZ-PMACEKPBSA-N 0 3 338.451 3.678 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000912228988 1039757870 /nfs/dbraw/zinc/75/78/70/1039757870.db2.gz CNNYWIMIPCFGGF-MRXNPFEDSA-N 0 3 333.476 3.970 20 30 EHEDHN C[C@H](c1ccccc1)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCC1 ZINC000554851310 1039833999 /nfs/dbraw/zinc/83/39/99/1039833999.db2.gz GODCCTOUIMQLMF-IERDGZPVSA-N 0 3 339.483 3.801 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)C2(C)CCCC2)c1C ZINC000490198600 1040398571 /nfs/dbraw/zinc/39/85/71/1040398571.db2.gz DPTRRKYMWFPWQU-UHFFFAOYSA-N 0 3 327.472 3.815 20 30 EHEDHN COc1ccc(O[C@H](C)CN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512665905 1040459792 /nfs/dbraw/zinc/45/97/92/1040459792.db2.gz IALJDXTYPVOSMK-KGLIPLIRSA-N 0 3 328.387 3.824 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000051797530 1040507707 /nfs/dbraw/zinc/50/77/07/1040507707.db2.gz UQQYEJJSKONDKC-NQIIRXRSSA-N 0 3 349.478 3.568 20 30 EHEDHN Cc1ccccc1CCNC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433030860 1040508553 /nfs/dbraw/zinc/50/85/53/1040508553.db2.gz XIHRBVMCRQFPGM-NRFANRHFSA-N 0 3 349.478 3.679 20 30 EHEDHN Cc1cccn2c(=O)cc(CN[C@H](CCCC#N)c3ccccc3)nc12 ZINC000433035045 1040531386 /nfs/dbraw/zinc/53/13/86/1040531386.db2.gz KEWPPGCIZJWOAM-LJQANCHMSA-N 0 3 346.434 3.528 20 30 EHEDHN COCCc1nc(C)c([C@H](C)N[C@@H](C)c2cccc(C#N)c2)s1 ZINC000092765992 1041006831 /nfs/dbraw/zinc/00/68/31/1041006831.db2.gz CZIFJGVFOPXZFQ-STQMWFEESA-N 0 3 329.469 3.924 20 30 EHEDHN C[S@@](=O)Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000586795796 1041031123 /nfs/dbraw/zinc/03/11/23/1041031123.db2.gz IZXJJQKJPRUJLM-HYBUGGRVSA-N 0 3 338.476 3.604 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644246 1041057897 /nfs/dbraw/zinc/05/78/97/1041057897.db2.gz LEUODQDXZLNFAZ-IEBWSBKVSA-N 0 3 333.451 3.557 20 30 EHEDHN CS[C@@H](C)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000156340626 1041124597 /nfs/dbraw/zinc/12/45/97/1041124597.db2.gz IMLNWYDIVVONJT-WFASDCNBSA-N 0 3 326.421 3.629 20 30 EHEDHN CC(C)[C@@H]1CCc2ccccc2[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000570929039 1041135021 /nfs/dbraw/zinc/13/50/21/1041135021.db2.gz ZYWYVFJLKABJKS-ICSRJNTNSA-N 0 3 345.450 3.650 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000617037543 1041700214 /nfs/dbraw/zinc/70/02/14/1041700214.db2.gz OGCAYLPYOVGTMA-AABGKKOBSA-N 0 3 341.499 3.545 20 30 EHEDHN N#CC(C(=O)CCc1cc(Br)ccc1F)c1ccccn1 ZINC000136539492 1041860161 /nfs/dbraw/zinc/86/01/61/1041860161.db2.gz PRKQVGITNRWEKJ-CYBMUJFWSA-N 0 3 347.187 3.792 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2sccc2[C@H]1CC ZINC000662079645 1042500201 /nfs/dbraw/zinc/50/02/01/1042500201.db2.gz IDXBUZHWJIFRPP-HLLBOEOZSA-N 0 3 330.497 3.767 20 30 EHEDHN CC[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000343905778 1042782292 /nfs/dbraw/zinc/78/22/92/1042782292.db2.gz KTNNZHIZAHTWMP-IAGOWNOFSA-N 0 3 345.462 3.973 20 30 EHEDHN N#CCCCCN(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000344117465 1043283182 /nfs/dbraw/zinc/28/31/82/1043283182.db2.gz PJBWNNBPCPVVPZ-HNNXBMFYSA-N 0 3 348.796 3.802 20 30 EHEDHN Cc1cc(CN(C)CCc2nc(-c3ccccc3)no2)ccc1C#N ZINC000512209746 1044160706 /nfs/dbraw/zinc/16/07/06/1044160706.db2.gz BHBNHBHCFFXDNL-UHFFFAOYSA-N 0 3 332.407 3.591 20 30 EHEDHN Cc1ccsc1[C@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000344705224 1044311081 /nfs/dbraw/zinc/31/10/81/1044311081.db2.gz XFAMPZKFWIKYLY-KRWDZBQOSA-N 0 3 330.453 3.562 20 30 EHEDHN O=C(C[C@@H]1CCCCC(=O)N1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000328823539 1044372568 /nfs/dbraw/zinc/37/25/68/1044372568.db2.gz PKYPIKWMVYHOJJ-ROUUACIJSA-N 0 3 343.471 3.897 20 30 EHEDHN Cn1cc([C@@H](NCc2cccc(OCCCC#N)c2)C(C)(C)C)cn1 ZINC000344810549 1044455421 /nfs/dbraw/zinc/45/54/21/1044455421.db2.gz HISAOQQNIKSAFF-LJQANCHMSA-N 0 3 340.471 3.980 20 30 EHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3cccnc3)n2)cc1 ZINC000338177284 1044773626 /nfs/dbraw/zinc/77/36/26/1044773626.db2.gz CTXBRLLFGDNRCU-HNNXBMFYSA-N 0 3 334.404 3.759 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@H](c2ccccc2)C(C)C)CC1 ZINC000171870883 1126767852 /nfs/dbraw/zinc/76/78/52/1126767852.db2.gz BKDMWWORPBROGR-IBGZPJMESA-N 0 3 329.488 3.676 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2Cl)C(C)C)CC1 ZINC000172150877 1126782519 /nfs/dbraw/zinc/78/25/19/1126782519.db2.gz QXHKEXDMXHEVHM-GOSISDBHSA-N 0 3 349.906 3.987 20 30 EHEDHN Cc1ccccc1[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(C)(C)C ZINC000180086181 1127118795 /nfs/dbraw/zinc/11/87/95/1127118795.db2.gz QTBXTJBVPXCINS-ICSRJNTNSA-N 0 3 329.488 3.726 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3CCCCCC3)nc2)n1 ZINC000193267856 1127414328 /nfs/dbraw/zinc/41/43/28/1127414328.db2.gz QJVCMBJJYQXJKF-HNNXBMFYSA-N 0 3 340.452 3.717 20 30 EHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1Cn1cccn1 ZINC000765014117 1127563090 /nfs/dbraw/zinc/56/30/90/1127563090.db2.gz KEUHWRZLISNHFW-INIZCTEOSA-N 0 3 346.434 3.662 20 30 EHEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000338625666 1127927114 /nfs/dbraw/zinc/92/71/14/1127927114.db2.gz JLURXPIDBNTITJ-CQSZACIVSA-N 0 3 335.388 3.745 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC001670905537 1128019487 /nfs/dbraw/zinc/01/94/87/1128019487.db2.gz HHRIJXZSTDPTGB-UZLBHIALSA-N 0 3 348.450 3.651 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC001670905535 1128019848 /nfs/dbraw/zinc/01/98/48/1128019848.db2.gz HHRIJXZSTDPTGB-OXJNMPFZSA-N 0 3 348.450 3.651 20 30 EHEDHN Cc1cccc([C@H]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)c1 ZINC000273103462 1128441512 /nfs/dbraw/zinc/44/15/12/1128441512.db2.gz PADYKIZSFKRWKH-IBGZPJMESA-N 0 3 344.418 3.906 20 30 EHEDHN COc1cccc([C@@H](CNc2c(F)cc(C#N)cc2F)N(C)C)c1 ZINC000060196999 1128721294 /nfs/dbraw/zinc/72/12/94/1128721294.db2.gz WXCXWFAIHJQNBT-QGZVFWFLSA-N 0 3 331.366 3.560 20 30 EHEDHN Cc1noc(C)c1C[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000921763170 1128738771 /nfs/dbraw/zinc/73/87/71/1128738771.db2.gz UYYWAFGRGQDLRK-SNVBAGLBSA-N 0 3 348.244 3.646 20 30 EHEDHN COc1ccc(C#N)cc1CN1CC[C@H](COCc2ccccc2)C1 ZINC000153847616 1128760164 /nfs/dbraw/zinc/76/01/64/1128760164.db2.gz FVLDOQVHQDCQIS-IBGZPJMESA-N 0 3 336.435 3.606 20 30 EHEDHN C=CCN1CCC(NC(=O)NCC(CC)(CC)c2ccccc2)CC1 ZINC000465876885 1128821191 /nfs/dbraw/zinc/82/11/91/1128821191.db2.gz VOQODYHZUYNDNV-UHFFFAOYSA-N 0 3 343.515 3.694 20 30 EHEDHN CC[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000007547366 1128872624 /nfs/dbraw/zinc/87/26/24/1128872624.db2.gz CZZKXGAXTBLJNW-AUUYWEPGSA-N 0 3 337.423 3.635 20 30 EHEDHN N#Cc1cc(CNc2cccc(CN3CCSCC3)c2)cs1 ZINC000921888284 1128879006 /nfs/dbraw/zinc/87/90/06/1128879006.db2.gz QDHFKKKZOHDYNM-UHFFFAOYSA-N 0 3 329.494 3.781 20 30 EHEDHN Cc1noc(C)c1[C@@H](C)CNCc1cc(C#N)ccc1Br ZINC000921924399 1128923650 /nfs/dbraw/zinc/92/36/50/1128923650.db2.gz JUVMDLOXHBCMAA-JTQLQIEISA-N 0 3 348.244 3.819 20 30 EHEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000176535239 1120596541 /nfs/dbraw/zinc/59/65/41/1120596541.db2.gz UXFXDVBORJTVQW-ZDUSSCGKSA-N 0 3 325.195 3.997 20 30 EHEDHN COc1cccc(O)c1/C=N/CC(C)(C)N1CCc2ccccc2C1 ZINC000914557140 1120895427 /nfs/dbraw/zinc/89/54/27/1120895427.db2.gz BQFHLPASGGUWPK-LPYMAVHISA-N 0 3 338.451 3.657 20 30 EHEDHN C[C@H](C[C@H](O)c1ccco1)NCc1cc(C#N)ccc1Br ZINC000921951712 1128965005 /nfs/dbraw/zinc/96/50/05/1128965005.db2.gz XGLLTPOQFVGMSF-ABAIWWIYSA-N 0 3 349.228 3.516 20 30 EHEDHN CC(C)(C)OC(=O)NC(=CNNc1ccccc1)CC(F)(F)F ZINC000495653465 1121339062 /nfs/dbraw/zinc/33/90/62/1121339062.db2.gz BLJGDSIAFCPOQU-LBPRGKRZSA-N 0 3 331.338 3.930 20 30 EHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(N2CCOC2=O)c1 ZINC000496047859 1121623323 /nfs/dbraw/zinc/62/33/23/1121623323.db2.gz XRUCHDXSJWBPSF-XOBRGWDASA-N 0 3 347.418 3.853 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CC)Cc2ccccc2Cl)CC1 ZINC000171737569 1121652492 /nfs/dbraw/zinc/65/24/92/1121652492.db2.gz BZIWLHPJLGVQQW-UHFFFAOYSA-N 0 3 335.879 3.522 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000171738245 1121660809 /nfs/dbraw/zinc/66/08/09/1121660809.db2.gz WCGSENGGNUKXTL-SFHVURJKSA-N 0 3 347.890 3.837 20 30 EHEDHN C[C@H](N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000496950188 1122217074 /nfs/dbraw/zinc/21/70/74/1122217074.db2.gz PAVKQKAHHCDVJP-AVGNSLFASA-N 0 3 335.423 3.650 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000194588703 1122770233 /nfs/dbraw/zinc/77/02/33/1122770233.db2.gz GNGATIGXCLJFJH-FQEVSTJZSA-N 0 3 348.450 3.825 20 30 EHEDHN N#Cc1cc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)cs1 ZINC000922105496 1129104724 /nfs/dbraw/zinc/10/47/24/1129104724.db2.gz JQSHLAXCXMHZFF-KRWDZBQOSA-N 0 3 332.856 3.765 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1cc(F)ccc1F ZINC000920103215 1123291812 /nfs/dbraw/zinc/29/18/12/1123291812.db2.gz QIHMPUSBNWZAPX-AWEZNQCLSA-N 0 3 339.345 3.661 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)CC1 ZINC000921306585 1123515711 /nfs/dbraw/zinc/51/57/11/1123515711.db2.gz JMWQGTWAOVDDAF-NRFANRHFSA-N 0 3 340.511 3.969 20 30 EHEDHN COc1ccccc1[C@H](CNCc1csc(C#N)c1)N1CCCC1 ZINC000921477769 1123548862 /nfs/dbraw/zinc/54/88/62/1123548862.db2.gz QOMDGNYALXPZJM-SFHVURJKSA-N 0 3 341.480 3.555 20 30 EHEDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000609385114 1123567533 /nfs/dbraw/zinc/56/75/33/1123567533.db2.gz PEOXAHXZEFMGCD-LSDHHAIUSA-N 0 3 333.501 3.853 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1F)c1nc2cc(F)ccc2s1 ZINC000609627414 1123628813 /nfs/dbraw/zinc/62/88/13/1123628813.db2.gz OQBLPEDELJGIFI-JTQLQIEISA-N 0 3 329.331 3.820 20 30 EHEDHN N#CC(C(=O)c1csc2ccccc12)c1nnc2n1CCCCC2 ZINC000078733884 1123648642 /nfs/dbraw/zinc/64/86/42/1123648642.db2.gz CDMPCPJXWLPYIM-ZDUSSCGKSA-N 0 3 336.420 3.709 20 30 EHEDHN N#Cc1ccc(Nc2cccc(C(=O)NCCN3CCCCC3)c2)cc1 ZINC000609991159 1123714061 /nfs/dbraw/zinc/71/40/61/1123714061.db2.gz GEWKCHGEAKOQQB-UHFFFAOYSA-N 0 3 348.450 3.518 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCNC1(c2cccc(Cl)c2)CC1 ZINC000179669330 1123821138 /nfs/dbraw/zinc/82/11/38/1123821138.db2.gz PIGQWYZZULBEPO-UHFFFAOYSA-N 0 3 345.855 3.881 20 30 EHEDHN N#Cc1ccc(NC(=O)CCNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000179671997 1123821258 /nfs/dbraw/zinc/82/12/58/1123821258.db2.gz FTYJOPVBDFXCBW-UHFFFAOYSA-N 0 3 339.826 3.819 20 30 EHEDHN C[C@H](NCc1ccccc1CN1CCCC1=O)c1cccc(C#N)c1 ZINC000181472684 1124865880 /nfs/dbraw/zinc/86/58/80/1124865880.db2.gz SWRXSHNVRDAZRJ-INIZCTEOSA-N 0 3 333.435 3.531 20 30 EHEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000080660939 1124929200 /nfs/dbraw/zinc/92/92/00/1124929200.db2.gz DTECVSJSLDKSBY-CRAIPNDOSA-N 0 3 327.472 3.671 20 30 EHEDHN CC(C)(C#N)c1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000619653997 1125378567 /nfs/dbraw/zinc/37/85/67/1125378567.db2.gz PGNRCINDBFQWPN-QFIPXVFZSA-N 0 3 334.463 3.801 20 30 EHEDHN CSc1ccc([C@@H](CNc2nccc(C)c2C#N)N(C)C)cc1 ZINC000338829639 1129361789 /nfs/dbraw/zinc/36/17/89/1129361789.db2.gz DDNUXXWUXJRPDG-QGZVFWFLSA-N 0 3 326.469 3.698 20 30 EHEDHN C[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000154329444 1129550220 /nfs/dbraw/zinc/55/02/20/1129550220.db2.gz ZBPITJUBEPRLMY-CABCVRRESA-N 0 3 335.407 3.927 20 30 EHEDHN Cc1c([C@@H](C)NCC2CCC(C#N)CC2)nnn1-c1ccc(F)cc1 ZINC000282512455 1129980271 /nfs/dbraw/zinc/98/02/71/1129980271.db2.gz ZCZVGHCRZQFULN-IUDNXUCKSA-N 0 3 341.434 3.695 20 30 EHEDHN C=CCOc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1 ZINC000674291858 1130053520 /nfs/dbraw/zinc/05/35/20/1130053520.db2.gz JUVMGFDXUOOONM-QGZVFWFLSA-N 0 3 338.451 3.502 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)CC1 ZINC000171717954 1130081501 /nfs/dbraw/zinc/08/15/01/1130081501.db2.gz MVJOALWIWKFYJI-KRWDZBQOSA-N 0 3 344.499 3.652 20 30 EHEDHN C=CCN1CCC(NC(=O)c2oc3c(cccc3Cl)c2C)CC1 ZINC000171723011 1130082750 /nfs/dbraw/zinc/08/27/50/1130082750.db2.gz GUJQHMOQZIHUBO-UHFFFAOYSA-N 0 3 332.831 3.775 20 30 EHEDHN C=C(C)CN1CCC(NC(=S)Nc2cccc(Cl)c2C)CC1 ZINC000729942056 1130656748 /nfs/dbraw/zinc/65/67/48/1130656748.db2.gz HNMRKZSHEVURTG-UHFFFAOYSA-N 0 3 337.920 3.975 20 30 EHEDHN C=CCN1CCC(NC(=S)Nc2ccc3ccccc3c2)CC1 ZINC000729942474 1130657345 /nfs/dbraw/zinc/65/73/45/1130657345.db2.gz GEPAKIVFRJDNRW-UHFFFAOYSA-N 0 3 325.481 3.777 20 30 EHEDHN C=CCN1CCC(Nc2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000730077315 1130672501 /nfs/dbraw/zinc/67/25/01/1130672501.db2.gz SFQMWTZKYLCFCW-UHFFFAOYSA-N 0 3 336.361 3.711 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000731136778 1130772191 /nfs/dbraw/zinc/77/21/91/1130772191.db2.gz VZDOALRLYXTDDA-HKUYNNGSSA-N 0 3 340.467 3.902 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000731136784 1130772420 /nfs/dbraw/zinc/77/24/20/1130772420.db2.gz VZDOALRLYXTDDA-PKOBYXMFSA-N 0 3 340.467 3.902 20 30 EHEDHN C=CCN1CCC[C@@H](N[C@H](C)CSc2ccc(Cl)cc2)C1=O ZINC001172877500 1131895114 /nfs/dbraw/zinc/89/51/14/1131895114.db2.gz FKKSWNHKXWPXFD-CZUORRHYSA-N 0 3 338.904 3.587 20 30 EHEDHN Cc1ccc(F)cc1CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970256 1131922153 /nfs/dbraw/zinc/92/21/53/1131922153.db2.gz DQSQPVANXCXCRZ-IRXDYDNUSA-N 0 3 347.434 3.515 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CCc3sccc32)C[C@H]1C#N ZINC001172977205 1131924612 /nfs/dbraw/zinc/92/46/12/1131924612.db2.gz AEXMOJVELZPSSB-YDHLFZDLSA-N 0 3 347.484 3.617 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CCc3sccc32)C[C@H]1C#N ZINC001172977202 1131924647 /nfs/dbraw/zinc/92/46/47/1131924647.db2.gz AEXMOJVELZPSSB-VNHYZAJKSA-N 0 3 347.484 3.617 20 30 EHEDHN C[C@H]1CN(C2CCC(CC#N)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001173337062 1132053217 /nfs/dbraw/zinc/05/32/17/1132053217.db2.gz XPQHICDXHIDHJF-JUVOFCAFSA-N 0 3 335.492 3.789 20 30 EHEDHN C=CCOC1CCC(NCc2coc(-c3cccc(OC)c3)n2)CC1 ZINC001173317337 1132059256 /nfs/dbraw/zinc/05/92/56/1132059256.db2.gz FSJVCEIBNZFWLY-UHFFFAOYSA-N 0 3 342.439 3.954 20 30 EHEDHN CC(C)[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccccc1 ZINC000103330865 1132825946 /nfs/dbraw/zinc/82/59/46/1132825946.db2.gz MZTFJBGESMBRBQ-IRXDYDNUSA-N 0 3 335.407 3.559 20 30 EHEDHN Cc1cc(C)cc([C@H](O)CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000767726914 1133043756 /nfs/dbraw/zinc/04/37/56/1133043756.db2.gz BPCWCGYHSGAMHQ-JOCHJYFZSA-N 0 3 332.447 3.998 20 30 EHEDHN CC[C@H](CSC)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000773702798 1133093940 /nfs/dbraw/zinc/09/39/40/1133093940.db2.gz RKFXAVFERYWUQA-CHWSQXEVSA-N 0 3 347.509 3.546 20 30 EHEDHN C#CCOc1ccc(CN(CC)Cc2ccc(OC)c(OC)c2)cc1 ZINC000768203996 1133107122 /nfs/dbraw/zinc/10/71/22/1133107122.db2.gz MGSLXCSYCXMPGW-UHFFFAOYSA-N 0 3 339.435 3.738 20 30 EHEDHN N#Cc1ccc(CCNCc2ccc(F)cc2Br)cc1 ZINC001179142762 1133228626 /nfs/dbraw/zinc/22/86/26/1133228626.db2.gz MUZQYPNBSJRNEX-UHFFFAOYSA-N 0 3 333.204 3.792 20 30 EHEDHN C#CC1(NCc2ccc(OCCn3ccnc3)c(Cl)c2)CCCC1 ZINC001179437565 1133250466 /nfs/dbraw/zinc/25/04/66/1133250466.db2.gz IVEYAKXSSFDFTN-UHFFFAOYSA-N 0 3 343.858 3.651 20 30 EHEDHN CCCCCCC[C@@H](C)C(=O)N(CCOC)C1CCN(C)CC1 ZINC001181123433 1133456213 /nfs/dbraw/zinc/45/62/13/1133456213.db2.gz TUMLFTFXOVQNIC-QGZVFWFLSA-N 0 3 326.525 3.552 20 30 EHEDHN C#Cc1ccc(CN2CCCC[C@@H]2COC(=O)NCCCC)cc1 ZINC001181708154 1133513752 /nfs/dbraw/zinc/51/37/52/1133513752.db2.gz TWERSUXEEUCXTR-LJQANCHMSA-N 0 3 328.456 3.549 20 30 EHEDHN CC(C)(C)OC(=O)NCC1(CNCC2(C#N)CCCCC2)CCC1 ZINC001182929548 1133752376 /nfs/dbraw/zinc/75/23/76/1133752376.db2.gz BBIBUWAAPSMCGT-UHFFFAOYSA-N 0 3 335.492 3.745 20 30 EHEDHN N#Cc1ccc(N2CCN(CCCCCOc3ccccc3)CC2)cc1 ZINC001183379448 1133801949 /nfs/dbraw/zinc/80/19/49/1133801949.db2.gz NJRXRFGVPYOFBG-UHFFFAOYSA-N 0 3 349.478 3.930 20 30 EHEDHN Cc1nc(CC(=O)C(C#N)c2nc3cc(F)ccc3s2)c(C)s1 ZINC000786400856 1133850266 /nfs/dbraw/zinc/85/02/66/1133850266.db2.gz DZZIRIFTYWVJQN-NSHDSACASA-N 0 3 345.424 3.928 20 30 EHEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786538079 1133862880 /nfs/dbraw/zinc/86/28/80/1133862880.db2.gz DKMKGMYOZNCYFN-FQEVSTJZSA-N 0 3 348.446 3.651 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@@H](C)c2ccccc2)c1 ZINC000786540329 1133863393 /nfs/dbraw/zinc/86/33/93/1133863393.db2.gz LGISONMHVQJSET-YLJYHZDGSA-N 0 3 348.446 3.904 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCCCC(C)C)c1 ZINC000786548514 1133872471 /nfs/dbraw/zinc/87/24/71/1133872471.db2.gz LLSLPZFUZYSCSC-GOSISDBHSA-N 0 3 328.456 3.927 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCC2)c1 ZINC000786546437 1133872719 /nfs/dbraw/zinc/87/27/19/1133872719.db2.gz IQBGQOIKHLUQLG-YJBOKZPZSA-N 0 3 326.440 3.537 20 30 EHEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786546328 1133872862 /nfs/dbraw/zinc/87/28/62/1133872862.db2.gz IAXMZFKDOZTZGM-FUHWJXTLSA-N 0 3 328.456 3.927 20 30 EHEDHN C#CC[C@@H](N[C@H](C)c1ccc(N2CCNC2=O)cc1)c1ccccc1 ZINC000786870660 1133914438 /nfs/dbraw/zinc/91/44/38/1133914438.db2.gz KSXQSDXEBUYDOQ-OXQOHEQNSA-N 0 3 333.435 3.631 20 30 EHEDHN N#Cc1cnc(N[C@H]2CCN(Cc3ccccc3)C2)c2sccc21 ZINC001184501237 1133952773 /nfs/dbraw/zinc/95/27/73/1133952773.db2.gz XQEBJOFVZJBEFC-INIZCTEOSA-N 0 3 334.448 3.854 20 30 EHEDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1[O-] ZINC000787331535 1133989458 /nfs/dbraw/zinc/98/94/58/1133989458.db2.gz KSBVESWZVMZZJE-INIZCTEOSA-N 0 3 328.799 3.703 20 30 EHEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C(C)(C)C1 ZINC000746678380 1133996515 /nfs/dbraw/zinc/99/65/15/1133996515.db2.gz RCDFFOBEOXHMEC-QWHCGFSZSA-N 0 3 327.453 3.593 20 30 EHEDHN C=CC[C@H](CO)CNCc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000774827287 1134026564 /nfs/dbraw/zinc/02/65/64/1134026564.db2.gz OGAUUBOISDUXGF-HNNXBMFYSA-N 0 3 347.890 3.923 20 30 EHEDHN Cc1cc(CN2CCC(CNC(=O)OC(C)(C)C)CC2)ccc1C#N ZINC000774833244 1134041372 /nfs/dbraw/zinc/04/13/72/1134041372.db2.gz MWQMCIGCXXSANW-UHFFFAOYSA-N 0 3 343.471 3.603 20 30 EHEDHN COc1ccc(O)c(/C=N/C[C@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000746815573 1134275880 /nfs/dbraw/zinc/27/58/80/1134275880.db2.gz KWWVLTZYYQZIRQ-MLHZQLSASA-N 0 3 332.831 3.776 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCOCc2ccccc2)c([O-])c1 ZINC000746815009 1134276671 /nfs/dbraw/zinc/27/66/71/1134276671.db2.gz DPAHLPYLXZZNOY-RCCKNPSSSA-N 0 3 326.440 3.874 20 30 EHEDHN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC2SC(=O)C=C2C1 ZINC001187132418 1134301399 /nfs/dbraw/zinc/30/13/99/1134301399.db2.gz BPQFNPFNCQRMGV-GFCCVEGCSA-N 0 3 343.235 3.799 20 30 EHEDHN Cc1ccc(CC(=O)C(C#N)C(=O)Nc2cccc3ccccc32)o1 ZINC000775228512 1134556424 /nfs/dbraw/zinc/55/64/24/1134556424.db2.gz WWEKDTQNYHMWNH-KRWDZBQOSA-N 0 3 332.359 3.631 20 30 EHEDHN C#CCCCCCCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC001190925679 1134765700 /nfs/dbraw/zinc/76/57/00/1134765700.db2.gz VQLZNQDOMRSFBF-LJQANCHMSA-N 0 3 328.500 3.958 20 30 EHEDHN COc1cccc(/C=N/C[C@H](c2cccs2)N2CCCC2)c1O ZINC000005293080 1134921315 /nfs/dbraw/zinc/92/13/15/1134921315.db2.gz FVZHCYHVASYMBV-IYSPOMMRSA-N 0 3 330.453 3.718 20 30 EHEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2Br)C12CCC2 ZINC001194445719 1135274087 /nfs/dbraw/zinc/27/40/87/1135274087.db2.gz KODGKBYZFKNRTL-CVEARBPZSA-N 0 3 349.272 3.758 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN2C[C@H](C)[C@@H](C)[C@@H]2C)ccc1Cl ZINC001195280663 1135404529 /nfs/dbraw/zinc/40/45/29/1135404529.db2.gz WEHZQQVRDMLSLH-XHSDSOJGSA-N 0 3 347.890 3.871 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000808429825 1135674462 /nfs/dbraw/zinc/67/44/62/1135674462.db2.gz PMPGKRNOFPADJH-LIRRHRJNSA-N 0 3 344.842 3.844 20 30 EHEDHN C#CC[C@@H]1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC001197701477 1135727642 /nfs/dbraw/zinc/72/76/42/1135727642.db2.gz JTYNRKBYEANQNB-LJQANCHMSA-N 0 3 332.447 3.565 20 30 EHEDHN C#C[C@@H](CC)NCc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000809686188 1135871767 /nfs/dbraw/zinc/87/17/67/1135871767.db2.gz YQGSMAUFQXWFQI-SFHVURJKSA-N 0 3 339.435 3.784 20 30 EHEDHN C#C[C@@H](NCc1ccc(OCc2ccncc2)c(OC)c1)C(C)(C)C ZINC000809781811 1135891163 /nfs/dbraw/zinc/89/11/63/1135891163.db2.gz BLZDBZJLGWEUQU-HXUWFJFHSA-N 0 3 338.451 3.807 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1CCCSC1 ZINC000810529424 1135970355 /nfs/dbraw/zinc/97/03/55/1135970355.db2.gz GMTWUCMRGGESJN-JKSUJKDBSA-N 0 3 344.480 3.602 20 30 EHEDHN CNc1ccc(C)cc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001201954015 1136077673 /nfs/dbraw/zinc/07/76/73/1136077673.db2.gz DQBXCXKLTQRJOA-UHFFFAOYSA-N 0 3 345.450 3.599 20 30 EHEDHN C=CCc1cc(OCC)cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000811776112 1136134059 /nfs/dbraw/zinc/13/40/59/1136134059.db2.gz ABQPKNMSNIPOQN-UYAOXDASSA-N 0 3 345.483 3.909 20 30 EHEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000812881909 1136264474 /nfs/dbraw/zinc/26/44/74/1136264474.db2.gz GXSADTQXSSGCAH-FQEVSTJZSA-N 0 3 345.462 3.508 20 30 EHEDHN C=CCOCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000850530876 1136280133 /nfs/dbraw/zinc/28/01/33/1136280133.db2.gz FMKINNBFDALZEY-GFCCVEGCSA-N 0 3 328.250 3.706 20 30 EHEDHN C[C@@H](N[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000850577437 1136291033 /nfs/dbraw/zinc/29/10/33/1136291033.db2.gz CYXKVAFKWCVFSW-QWHCGFSZSA-N 0 3 335.423 3.603 20 30 EHEDHN C[C@H](NC(=O)C(C#N)C(=O)CCCF)c1ccc(Cl)cc1Cl ZINC000850977735 1136324576 /nfs/dbraw/zinc/32/45/76/1136324576.db2.gz CXKYFNYQYHOZQU-CABZTGNLSA-N 0 3 345.201 3.629 20 30 EHEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000852098263 1136432945 /nfs/dbraw/zinc/43/29/45/1136432945.db2.gz IQDWVHKFUWUEGW-UXHICEINSA-N 0 3 340.492 3.654 20 30 EHEDHN C=CCOc1ccccc1CNC[C@](C)(O)c1ccc(F)cc1F ZINC000114509384 1136800068 /nfs/dbraw/zinc/80/00/68/1136800068.db2.gz CJPMGJZNOALSLH-IBGZPJMESA-N 0 3 333.378 3.527 20 30 EHEDHN c1cnc2sc(N=NC3CCCC[C@@H]3N3CCCCC3)nc2c1 ZINC000857218702 1136854600 /nfs/dbraw/zinc/85/46/00/1136854600.db2.gz PQHJDDLKIIPLID-HNNXBMFYSA-N 0 3 329.473 3.888 20 30 EHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000818356883 1136875764 /nfs/dbraw/zinc/87/57/64/1136875764.db2.gz RYDMYKFXJPHTGC-SOUVJXGZSA-N 0 3 333.863 3.519 20 30 EHEDHN Cc1ccc(O[C@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)C2)nc1 ZINC000858013131 1136930780 /nfs/dbraw/zinc/93/07/80/1136930780.db2.gz HAVSKKYYIMLYGD-IBGZPJMESA-N 0 3 335.451 3.845 20 30 EHEDHN CC[C@H](Cc1ccccc1C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000819945936 1136968961 /nfs/dbraw/zinc/96/89/61/1136968961.db2.gz XJKIXHRMRJINHH-VQIMIIECSA-N 0 3 340.467 3.722 20 30 EHEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCN(C3CCC3)C2=O)cc1 ZINC000858603895 1136981859 /nfs/dbraw/zinc/98/18/59/1136981859.db2.gz XPXDFJRJUSLHIQ-KDOFPFPSSA-N 0 3 348.874 3.622 20 30 EHEDHN C#CCCCOc1cccnc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000820604767 1136999734 /nfs/dbraw/zinc/99/97/34/1136999734.db2.gz LMSKOWAPBVHZGL-LJQANCHMSA-N 0 3 335.451 3.560 20 30 EHEDHN N#CC(C(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1nc2ccccc2[nH]1 ZINC000860449983 1137060659 /nfs/dbraw/zinc/06/06/59/1137060659.db2.gz KHSMLRLNLVAJGI-KJWYOANISA-N 0 3 347.805 3.978 20 30 EHEDHN Cc1cccc(N=NC(C)c2ccc([O-])c(C[NH+]3CCCCC3)c2)n1 ZINC000863162111 1137172168 /nfs/dbraw/zinc/17/21/68/1137172168.db2.gz UAWPFPSYOKXENR-UHFFFAOYSA-N 0 3 338.455 3.918 20 30 EHEDHN N#Cc1cccc(Cl)c1CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001143734218 1137193251 /nfs/dbraw/zinc/19/32/51/1137193251.db2.gz FGCXGTXEPIDFIK-ZWKOTPCHSA-N 0 3 335.854 3.610 20 30 EHEDHN N#Cc1cccc(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000844370634 1137213266 /nfs/dbraw/zinc/21/32/66/1137213266.db2.gz IHSQRMZVDFJYCL-IBGZPJMESA-N 0 3 326.827 3.695 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000844370641 1137213296 /nfs/dbraw/zinc/21/32/96/1137213296.db2.gz IIGAGWVWIFLPIW-LJQANCHMSA-N 0 3 326.827 3.695 20 30 EHEDHN Cc1c(CN2CCC3SC(=O)C=C3C2)cccc1C(F)(F)F ZINC001143922615 1137215630 /nfs/dbraw/zinc/21/56/30/1137215630.db2.gz NFBXVMQMXGCVSX-CQSZACIVSA-N 0 3 327.371 3.788 20 30 EHEDHN C#Cc1cccc(N(CC)C(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000844376827 1137218021 /nfs/dbraw/zinc/21/80/21/1137218021.db2.gz UZYSIRIYAVXQMX-CVEARBPZSA-N 0 3 339.357 3.768 20 30 EHEDHN N#CC(C(=O)CCCc1ccc(F)c(F)c1)C(=O)Nc1ccccc1 ZINC000120000253 1137222193 /nfs/dbraw/zinc/22/21/93/1137222193.db2.gz CVDNGEQEDJFIIM-HNNXBMFYSA-N 0 3 342.345 3.635 20 30 EHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C2CCC2)C1 ZINC001171157226 1137268535 /nfs/dbraw/zinc/26/85/35/1137268535.db2.gz TVXLYHJGCXQMOU-IUODEOHRSA-N 0 3 331.847 3.661 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)CCC(=O)OC(C)C)c([O-])c1 ZINC000794832735 1137273278 /nfs/dbraw/zinc/27/32/78/1137273278.db2.gz KONAQOSTZILXBC-CTFRJJSNSA-N 0 3 334.460 3.778 20 30 EHEDHN CC(C)(C)N1CC[C@@H]1COC(=O)CCCCOc1cccc(C#N)c1 ZINC000845741109 1137307915 /nfs/dbraw/zinc/30/79/15/1137307915.db2.gz RJCUSOUVZMHXMU-QGZVFWFLSA-N 0 3 344.455 3.523 20 30 EHEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cc(-c2ccccc2)n(C)n1 ZINC000866615712 1137369624 /nfs/dbraw/zinc/36/96/24/1137369624.db2.gz ISZUXLIHQMHEGL-FOIQADDNSA-N 0 3 342.446 3.777 20 30 EHEDHN CCN1C[C@@H](CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)OC1=O ZINC000846852063 1137371892 /nfs/dbraw/zinc/37/18/92/1137371892.db2.gz VWFRZFGYKMFHHB-MGPUTAFESA-N 0 3 349.434 3.717 20 30 EHEDHN CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1c(C)nn(C)c1C ZINC000772958423 1137378649 /nfs/dbraw/zinc/37/86/49/1137378649.db2.gz GONIIFHQHLULNQ-UGSOOPFHSA-N 0 3 326.444 3.741 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000772960700 1137386177 /nfs/dbraw/zinc/38/61/77/1137386177.db2.gz TZKUBTNZLZCYLZ-LSDHHAIUSA-N 0 3 349.434 3.885 20 30 EHEDHN C=CCCCN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000266075918 1137402267 /nfs/dbraw/zinc/40/22/67/1137402267.db2.gz ASKHQPZBOCBIDA-LJQANCHMSA-N 0 3 347.455 3.874 20 30 EHEDHN N#CC(C(=O)CCc1ccc(C(F)F)cc1)C(=O)NC1CCCCC1 ZINC000870137552 1137478473 /nfs/dbraw/zinc/47/84/73/1137478473.db2.gz WTQUGAFYTKKNJN-MRXNPFEDSA-N 0 3 348.393 3.715 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC001172303606 1137545340 /nfs/dbraw/zinc/54/53/40/1137545340.db2.gz FFSLUFGCTGFPEW-INIZCTEOSA-N 0 3 339.870 3.965 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@@H]1CCOc2cc(F)cc(F)c21 ZINC001172298656 1137549140 /nfs/dbraw/zinc/54/91/40/1137549140.db2.gz ZWIBLBXCMMIKQA-SJKOYZFVSA-N 0 3 328.362 3.881 20 30 EHEDHN CCCCCCC[C@H](CC)N1CCO[C@@]2(CCCN(C(C)=O)C2)C1 ZINC001172355063 1137554347 /nfs/dbraw/zinc/55/43/47/1137554347.db2.gz MEQGHOLHNVPINV-VQTJNVASSA-N 0 3 338.536 3.839 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([O-])c1 ZINC000124140891 1137581552 /nfs/dbraw/zinc/58/15/52/1137581552.db2.gz QIBIYWSLSKLIPO-XAWIFYMESA-N 0 3 328.456 3.615 20 30 EHEDHN CC(C)(C)OC(=O)NC1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000873058474 1137589087 /nfs/dbraw/zinc/58/90/87/1137589087.db2.gz OJQYIOLTUXQEHE-UHFFFAOYSA-N 0 3 347.434 3.623 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000876623404 1137657466 /nfs/dbraw/zinc/65/74/66/1137657466.db2.gz HBQRPYAEIQRQOS-QGZVFWFLSA-N 0 3 336.863 3.944 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000876647110 1137657998 /nfs/dbraw/zinc/65/79/98/1137657998.db2.gz GDKPIQJPMRTBKC-HUUCEWRRSA-N 0 3 327.255 3.767 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)c1sccc1C ZINC000876671239 1137658666 /nfs/dbraw/zinc/65/86/66/1137658666.db2.gz WYOJSRFNPNSFBY-CVEARBPZSA-N 0 3 348.899 3.926 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000876893083 1137664650 /nfs/dbraw/zinc/66/46/50/1137664650.db2.gz ICYZSGIEAIHTIQ-NEPJUHHUSA-N 0 3 329.897 3.564 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000877146143 1137671641 /nfs/dbraw/zinc/67/16/41/1137671641.db2.gz SYGXPMHGUXBZGT-AWEZNQCLSA-N 0 3 346.780 3.918 20 30 EHEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000877336434 1137674517 /nfs/dbraw/zinc/67/45/17/1137674517.db2.gz MOXSUHHYQUVQMK-IAGOWNOFSA-N 0 3 345.805 3.756 20 30 EHEDHN Cc1ccccc1[C@@H]([C@H](C)NCc1cc(C#N)cnc1Cl)N(C)C ZINC000877464903 1137677151 /nfs/dbraw/zinc/67/71/51/1137677151.db2.gz OSHAZFNGWSRGQT-KBXCAEBGSA-N 0 3 342.874 3.696 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001137121462 1137678965 /nfs/dbraw/zinc/67/89/65/1137678965.db2.gz MSYYZCVPQNPHBT-FQEVSTJZSA-N 0 3 347.418 3.504 20 30 EHEDHN CCN(CC1CCN(CC2(CC#N)CC2)CC1)C(=O)OC(C)(C)C ZINC000878154515 1137704786 /nfs/dbraw/zinc/70/47/86/1137704786.db2.gz WNJXQQOUTNHLAI-UHFFFAOYSA-N 0 3 335.492 3.649 20 30 EHEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccccc1OC(C)C)C2 ZINC001137138333 1137729762 /nfs/dbraw/zinc/72/97/62/1137729762.db2.gz XLYFITWALAZKCK-PZJWPPBQSA-N 0 3 345.483 3.800 20 30 EHEDHN N#CCOc1ccc(Cl)cc1CNC1([C@H]2CCCCO2)CCC1 ZINC000879733366 1137757036 /nfs/dbraw/zinc/75/70/36/1137757036.db2.gz TZPBOSHCXGSALJ-QGZVFWFLSA-N 0 3 334.847 3.824 20 30 EHEDHN C[C@H](C#N)OCCNC1(c2cc(Cl)cc(Br)c2)CC1 ZINC000880352535 1137775951 /nfs/dbraw/zinc/77/59/51/1137775951.db2.gz VRBNENGHYDQXNE-SNVBAGLBSA-N 0 3 343.652 3.610 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OCC3CC3)nc2)cc1 ZINC000131316397 1137850339 /nfs/dbraw/zinc/85/03/39/1137850339.db2.gz JZAVOSYHKGRZFO-INIZCTEOSA-N 0 3 336.435 3.733 20 30 EHEDHN C[C@H](NCC(C)(C)CCC#N)c1ncc(Br)cc1F ZINC000348239741 1137872317 /nfs/dbraw/zinc/87/23/17/1137872317.db2.gz BZIRFZOMUDKZQY-JTQLQIEISA-N 0 3 328.229 3.964 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c(F)c1 ZINC000134785937 1137960675 /nfs/dbraw/zinc/96/06/75/1137960675.db2.gz ANRFLISJPUBPRT-UYAOXDASSA-N 0 3 342.389 3.925 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC(C)(C)C#N ZINC000337140928 1138477244 /nfs/dbraw/zinc/47/72/44/1138477244.db2.gz UZMJCBSYMGRSKH-UHFFFAOYSA-N 0 3 347.532 3.524 20 30 EHEDHN CSc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000337231932 1138502071 /nfs/dbraw/zinc/50/20/71/1138502071.db2.gz XPESPNRFGDIDFT-DEYYWGMASA-N 0 3 333.501 3.502 20 30 EHEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000264979001 1138692887 /nfs/dbraw/zinc/69/28/87/1138692887.db2.gz TVHZTLCELVAWFF-INIZCTEOSA-N 0 3 348.446 3.824 20 30 EHEDHN CN(C)C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000338406424 1138896154 /nfs/dbraw/zinc/89/61/54/1138896154.db2.gz IGZMPBFQLZWSIE-KRWDZBQOSA-N 0 3 342.830 3.636 20 30 EHEDHN CC[C@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)N(CC)CC ZINC000265512136 1138937705 /nfs/dbraw/zinc/93/77/05/1138937705.db2.gz JXIZYBHNLKVIFN-GOEBONIOSA-N 0 3 333.501 3.997 20 30 EHEDHN C[C@H](NC[C@H]1COC2(CCC(C)CC2)O1)c1ccc(C#N)c(F)c1 ZINC000777312732 1139567746 /nfs/dbraw/zinc/56/77/46/1139567746.db2.gz KKYCUQMUOOGWAM-XQCDLMLLSA-N 0 3 332.419 3.670 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000178642654 1139709137 /nfs/dbraw/zinc/70/91/37/1139709137.db2.gz LIILAMDAMBDYHR-GJZGRUSLSA-N 0 3 335.407 3.927 20 30 EHEDHN COCc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000179745064 1139779731 /nfs/dbraw/zinc/77/97/31/1139779731.db2.gz IBFZWNIFRGTSJX-UHFFFAOYSA-N 0 3 335.451 3.781 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H](C)c2ccccc2)c1C ZINC000181365141 1139902921 /nfs/dbraw/zinc/90/29/21/1139902921.db2.gz CXMQTJUPVYSWGG-GOSISDBHSA-N 0 3 335.451 3.901 20 30 EHEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)cc2)c(C#N)c1C ZINC000182345541 1139966613 /nfs/dbraw/zinc/96/66/13/1139966613.db2.gz VIYRRVSFONKIAM-KGLIPLIRSA-N 0 3 325.412 3.754 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CC)C[C@@H](CC)c2ccccc2)CC1 ZINC000188042185 1140281223 /nfs/dbraw/zinc/28/12/23/1140281223.db2.gz KUDRDMDRTVBUSP-GOSISDBHSA-N 0 3 343.515 3.862 20 30 EHEDHN C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000267079111 1140756997 /nfs/dbraw/zinc/75/69/97/1140756997.db2.gz PRGVMLBPBQYYOX-CQSZACIVSA-N 0 3 348.406 3.810 20 30 EHEDHN CCc1nc(C)c([C@@H](C)N(C)C[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000268741784 1140980545 /nfs/dbraw/zinc/98/05/45/1140980545.db2.gz ZQVYLFXIDDZPJF-CZUORRHYSA-N 0 3 329.469 3.612 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)c2ccc(CC#N)cc2)N2CCCC2)cc1 ZINC000270344073 1141210216 /nfs/dbraw/zinc/21/02/16/1141210216.db2.gz MCESJKKTEOLGII-NRFANRHFSA-N 0 3 347.462 3.628 20 30 EHEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1ccc(OC)c(OC)c1 ZINC000271523592 1141388362 /nfs/dbraw/zinc/38/83/62/1141388362.db2.gz VGOOXGCTKRRTQQ-SFHVURJKSA-N 0 3 340.423 3.847 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000274201963 1141485082 /nfs/dbraw/zinc/48/50/82/1141485082.db2.gz LBAFZCKGYUPHSC-KYOSRNDESA-N 0 3 335.245 3.945 20 30 EHEDHN C=CCOc1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000348871319 1141601235 /nfs/dbraw/zinc/60/12/35/1141601235.db2.gz WIFKATLSPBZNEH-MRXNPFEDSA-N 0 3 329.362 3.531 20 30 EHEDHN C=CC[N@@H+](CCCCC(F)(F)F)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823903475 607738428 /nfs/dbraw/zinc/73/84/28/607738428.db2.gz BRDFAUBOCHTTBG-UHFFFAOYSA-N 0 3 339.365 3.587 20 30 EHEDHN C=CC[N@H+](CCCCC(F)(F)F)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823903475 607738429 /nfs/dbraw/zinc/73/84/29/607738429.db2.gz BRDFAUBOCHTTBG-UHFFFAOYSA-N 0 3 339.365 3.587 20 30 EHEDHN C=CC[N@@H+](CCCCC(F)(F)F)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823903475 607738430 /nfs/dbraw/zinc/73/84/30/607738430.db2.gz BRDFAUBOCHTTBG-UHFFFAOYSA-N 0 3 339.365 3.587 20 30 EHEDHN C=CC[N@H+](CCCCC(F)(F)F)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823903475 607738431 /nfs/dbraw/zinc/73/84/31/607738431.db2.gz BRDFAUBOCHTTBG-UHFFFAOYSA-N 0 3 339.365 3.587 20 30 EHEDHN COC[C@@H](NCCc1cccc(C#N)c1)c1cccc(Cl)c1F ZINC000579727201 1014303124 /nfs/dbraw/zinc/30/31/24/1014303124.db2.gz ZTRLGPAUWPJFEJ-QGZVFWFLSA-N 0 3 332.806 3.871 20 30 EHEDHN CCC[C@]1(CO)CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000577669975 1014453708 /nfs/dbraw/zinc/45/37/08/1014453708.db2.gz TUKDQYVAPYEQKL-MRXNPFEDSA-N 0 3 326.362 3.704 20 30 EHEDHN Cc1cc2cc(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)oc2cc1C ZINC000430166520 1014528657 /nfs/dbraw/zinc/52/86/57/1014528657.db2.gz RBIHKLCPEYITBF-SFHVURJKSA-N 0 3 347.418 3.970 20 30 EHEDHN CC[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000120250540 1016761110 /nfs/dbraw/zinc/76/11/10/1016761110.db2.gz NIHFFFKDSWYGKU-INIZCTEOSA-N 0 3 333.863 3.723 20 30 EHEDHN CCO[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@H]1SC ZINC000459487139 1032180562 /nfs/dbraw/zinc/18/05/62/1032180562.db2.gz VPBFFODHGVBBOU-BZUAXINKSA-N 0 3 343.414 3.556 20 30 EHEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1nc2c(s1)CCC2 ZINC000459628371 1032343439 /nfs/dbraw/zinc/34/34/39/1032343439.db2.gz CMSFSAAKFABFPU-ZDUSSCGKSA-N 0 3 327.453 3.623 20 30 EHEDHN C=CCCCC[C@@H](C)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000449293712 1032433844 /nfs/dbraw/zinc/43/38/44/1032433844.db2.gz JAEJVZVOSWUGIB-IUODEOHRSA-N 0 3 339.277 3.700 20 30 EHEDHN C=CCNC(=O)CN[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000537123087 1032522477 /nfs/dbraw/zinc/52/24/77/1032522477.db2.gz CABIFLMPYHUXSQ-IRLDBZIGSA-N 0 3 334.463 3.740 20 30 EHEDHN C=C(C)COc1cc(CN(C)[C@H](CO)c2ccccc2)ccc1OC ZINC000449449726 1032565756 /nfs/dbraw/zinc/56/57/56/1032565756.db2.gz DVMDVGKVUKJVER-LJQANCHMSA-N 0 3 341.451 3.816 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000537232840 1032571559 /nfs/dbraw/zinc/57/15/59/1032571559.db2.gz RDYWSFCPCPOVIT-WMZOPIPTSA-N 0 3 332.463 3.899 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000592975884 1032620650 /nfs/dbraw/zinc/62/06/50/1032620650.db2.gz XFQIIROIHIDNRV-CYBMUJFWSA-N 0 3 326.352 3.934 20 30 EHEDHN CCN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000172385619 1032649696 /nfs/dbraw/zinc/64/96/96/1032649696.db2.gz RDVVEKOPDUKXCC-OXJNMPFZSA-N 0 3 349.434 3.967 20 30 EHEDHN N#Cc1csc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449506930 1032689031 /nfs/dbraw/zinc/68/90/31/1032689031.db2.gz ZOWIWUYDJZYXSN-HNNXBMFYSA-N 0 3 327.409 3.908 20 30 EHEDHN CC[C@@H](CN1CCCC1)NC(=O)c1sc2ccc(C#N)cc2c1C ZINC000590256911 1017993652 /nfs/dbraw/zinc/99/36/52/1017993652.db2.gz KYDORCPORAJBKW-HNNXBMFYSA-N 0 3 341.480 3.686 20 30 EHEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(C)c(F)c(C)c1)C2 ZINC001143379734 1018245029 /nfs/dbraw/zinc/24/50/29/1018245029.db2.gz VHEGGJWLOJKDLS-ICSRJNTNSA-N 0 3 333.447 3.769 20 30 EHEDHN CCN(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000593073041 1032768564 /nfs/dbraw/zinc/76/85/64/1032768564.db2.gz OEAHBCIDVKVVAP-CABCVRRESA-N 0 3 340.345 3.659 20 30 EHEDHN C[C@H]1C[C@@H]1c1noc(CC2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000593075172 1032770360 /nfs/dbraw/zinc/77/03/60/1032770360.db2.gz AOTQKLJEYAHVOG-KSSFIOAISA-N 0 3 336.439 3.519 20 30 EHEDHN N#Cc1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1 ZINC000594019302 1032789813 /nfs/dbraw/zinc/78/98/13/1032789813.db2.gz JLICIGZNSGBPLI-UHFFFAOYSA-N 0 3 328.419 3.881 20 30 EHEDHN CN(C)c1ccccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182931594 1019824109 /nfs/dbraw/zinc/82/41/09/1019824109.db2.gz OVGHAMWIEWPUSX-UHFFFAOYSA-N 0 3 334.467 3.701 20 30 EHEDHN N#CC(C(=O)c1ccc(C2SCCCS2)cc1)c1ccncn1 ZINC000760341069 1032879041 /nfs/dbraw/zinc/87/90/41/1032879041.db2.gz QAACDJYQXZKSCS-CQSZACIVSA-N 0 3 341.461 3.835 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1-c1cccc(C)c1 ZINC000760356556 1032894788 /nfs/dbraw/zinc/89/47/88/1032894788.db2.gz IIEUEEAKQZDZPG-GOSISDBHSA-N 0 3 330.391 3.683 20 30 EHEDHN C=CCCCCCN(C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000606925389 1032912062 /nfs/dbraw/zinc/91/20/62/1032912062.db2.gz ZFVLUWPFOJHNEI-LJQANCHMSA-N 0 3 331.504 3.986 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172753317 1032906998 /nfs/dbraw/zinc/90/69/98/1032906998.db2.gz BEZFJLYLVOEDTF-HXUWFJFHSA-N 0 3 349.434 3.796 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCCCSc2ccccc2)CC1 ZINC000518509643 1021261088 /nfs/dbraw/zinc/26/10/88/1021261088.db2.gz ILIDGSLQAXYWHT-UHFFFAOYSA-N 0 3 347.528 3.509 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC000602559726 1032972481 /nfs/dbraw/zinc/97/24/81/1032972481.db2.gz PRZBNTDUDWAVEF-UXHICEINSA-N 0 3 347.462 3.598 20 30 EHEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729475477 1021478936 /nfs/dbraw/zinc/47/89/36/1021478936.db2.gz VQHZCBKAFYCDDQ-GUYCJALGSA-N 0 3 341.480 3.983 20 30 EHEDHN Cc1cc(CON=Cc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000255363701 1021521798 /nfs/dbraw/zinc/52/17/98/1021521798.db2.gz AINWJRQXCQWING-UHFFFAOYSA-N 0 3 330.453 3.752 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000602600329 1032994729 /nfs/dbraw/zinc/99/47/29/1032994729.db2.gz FRCGZTDRGHDYCV-QZTJIDSGSA-N 0 3 331.435 3.584 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H]3CCC[C@@H]32)ccc1Cl ZINC000426471269 1021658044 /nfs/dbraw/zinc/65/80/44/1021658044.db2.gz VZYVYDXQJCTKTR-YJBOKZPZSA-N 0 3 345.874 3.770 20 30 EHEDHN C=CC1CCN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 ZINC000518981197 1021740903 /nfs/dbraw/zinc/74/09/03/1021740903.db2.gz NMKMSQNFHMTCLO-QGZVFWFLSA-N 0 3 335.517 3.739 20 30 EHEDHN N#Cc1csc(CN(Cc2ccccc2)[C@@H](CO)C2CCC2)c1 ZINC000592520256 1033016317 /nfs/dbraw/zinc/01/63/17/1033016317.db2.gz IKTBZHWWCSLGIA-IBGZPJMESA-N 0 3 326.465 3.783 20 30 EHEDHN COc1ccc(C2CCC(NCc3nc(C#N)cs3)CC2)cc1 ZINC000897629628 1033025665 /nfs/dbraw/zinc/02/56/65/1033025665.db2.gz WLBCNJPMHYYZOE-UHFFFAOYSA-N 0 3 327.453 3.839 20 30 EHEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441374674 1022195397 /nfs/dbraw/zinc/19/53/97/1022195397.db2.gz GEMRLYKCLRBEJE-VQTJNVASSA-N 0 3 326.484 3.764 20 30 EHEDHN COc1cc(OC)cc(C2(F)CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000550078662 1022338951 /nfs/dbraw/zinc/33/89/51/1022338951.db2.gz DIEDQUNONOTAOS-GOEBONIOSA-N 0 3 332.419 3.657 20 30 EHEDHN N#CCCC[C@@H](NCc1cccn(C(F)F)c1=O)c1ccccc1 ZINC000602671639 1033048917 /nfs/dbraw/zinc/04/89/17/1033048917.db2.gz WEVAHPCLQICMCL-MRXNPFEDSA-N 0 3 331.366 3.768 20 30 EHEDHN CC1=C(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCC1 ZINC000328604360 1022450162 /nfs/dbraw/zinc/45/01/62/1022450162.db2.gz INVIWZKBQRDFLV-UHFFFAOYSA-N 0 3 328.456 3.600 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000341611075 1022554536 /nfs/dbraw/zinc/55/45/36/1022554536.db2.gz ZRRGFYXHHXMWPM-AEFFLSMTSA-N 0 3 329.488 3.762 20 30 EHEDHN CCC1(CC)CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000438505709 1022742453 /nfs/dbraw/zinc/74/24/53/1022742453.db2.gz NXBYTJWZMXIFGM-QGZVFWFLSA-N 0 3 327.472 3.834 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](CC(C)C)c1ccccc1C ZINC000341681024 1022988532 /nfs/dbraw/zinc/98/85/32/1022988532.db2.gz GDXALNXSOONYBF-VQIMIIECSA-N 0 3 329.488 3.680 20 30 EHEDHN CC(C)(C)[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000506995809 1023068407 /nfs/dbraw/zinc/06/84/07/1023068407.db2.gz WMQQCFIBIRMBKT-FQEVSTJZSA-N 0 3 335.451 3.551 20 30 EHEDHN CC[C@@H](Cc1ccccc1Br)NC[C@H](C#N)CCC#N ZINC000562996103 1023150574 /nfs/dbraw/zinc/15/05/74/1023150574.db2.gz HIVOPIBBUNOAPY-ZFWWWQNUSA-N 0 3 334.261 3.803 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1csc(C(F)(F)F)c1 ZINC000602724978 1033112434 /nfs/dbraw/zinc/11/24/34/1033112434.db2.gz PHNISLILUUMNER-NSHDSACASA-N 0 3 332.391 3.955 20 30 EHEDHN C=C(C)C(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001142512196 1033118729 /nfs/dbraw/zinc/11/87/29/1033118729.db2.gz NOIAROYCZJUFHZ-OAQYLSRUSA-N 0 3 334.463 3.866 20 30 EHEDHN CCc1ccccc1NC(=O)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000449736956 1033133557 /nfs/dbraw/zinc/13/35/57/1033133557.db2.gz PLJANWDJKLQYPO-AWEZNQCLSA-N 0 3 339.414 3.767 20 30 EHEDHN C=CCC[C@H](NCc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000341909277 1023679829 /nfs/dbraw/zinc/67/98/29/1023679829.db2.gz LXQAACAKOIVKJR-IBGZPJMESA-N 0 3 329.465 3.887 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC3(CCCCC3)[C@H]2C(C)C)CC1 ZINC000458337667 1023961564 /nfs/dbraw/zinc/96/15/64/1023961564.db2.gz RJSUDLUTGSEOEH-GOSISDBHSA-N 0 3 333.520 3.637 20 30 EHEDHN C=CCN(CCc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288460 1033179270 /nfs/dbraw/zinc/17/92/70/1033179270.db2.gz UOGWTUCZRNKGRF-UHFFFAOYSA-N 0 3 326.396 3.834 20 30 EHEDHN C=CCC[C@H](NCCNC(=O)c1c(F)cccc1F)c1ccco1 ZINC000286060503 1024260536 /nfs/dbraw/zinc/26/05/36/1024260536.db2.gz LKQRJOTYRUJQDU-HNNXBMFYSA-N 0 3 334.366 3.585 20 30 EHEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(F)cc1Cl ZINC000330241617 1024367584 /nfs/dbraw/zinc/36/75/84/1024367584.db2.gz FTDAJLGGXMHTGZ-LNHVQRHZSA-N 0 3 326.799 3.613 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000520702692 1024445989 /nfs/dbraw/zinc/44/59/89/1024445989.db2.gz FUOSSVZXLMTBHO-SFHVURJKSA-N 0 3 329.488 3.723 20 30 EHEDHN C[C@@H]1[C@H](c2ccccc2)CCN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000434901786 1024492511 /nfs/dbraw/zinc/49/25/11/1024492511.db2.gz ZEVLLDMHFCDEIL-HBGVWJBISA-N 0 3 345.446 3.542 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000280961968 1024495122 /nfs/dbraw/zinc/49/51/22/1024495122.db2.gz ZAPJTUFGWRKLOV-VDGAXYAQSA-N 0 3 326.415 3.881 20 30 EHEDHN Cc1ccc(C)c([C@@H]2CCCN2CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000474225759 1024597427 /nfs/dbraw/zinc/59/74/27/1024597427.db2.gz ICHNXCVUKFMHHW-NRFANRHFSA-N 0 3 347.462 3.628 20 30 EHEDHN CCS(=O)(=O)c1c(Cl)cccc1CNCC(C)(C)CCC#N ZINC000342275611 1024688725 /nfs/dbraw/zinc/68/87/25/1024688725.db2.gz JGNUJHUYMUIJTD-UHFFFAOYSA-N 0 3 342.892 3.553 20 30 EHEDHN C#CCC1(O)CCN(Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000895675674 1024706929 /nfs/dbraw/zinc/70/69/29/1024706929.db2.gz UDGNIVRUFDMSDA-UHFFFAOYSA-N 0 3 345.389 3.791 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(F)cccc1Br ZINC000435747368 1025108719 /nfs/dbraw/zinc/10/87/19/1025108719.db2.gz HKEMKFIXZJPJDV-NHYWBVRUSA-N 0 3 328.225 3.659 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)CC1 ZINC000521240422 1025292923 /nfs/dbraw/zinc/29/29/23/1025292923.db2.gz RBSDVMMHWLKJNU-HXUWFJFHSA-N 0 3 341.499 3.800 20 30 EHEDHN COc1ccc([C@@H](CNc2ccc(C#N)cc2F)N2CCCC2)cc1 ZINC000072072985 1025311979 /nfs/dbraw/zinc/31/19/79/1025311979.db2.gz IWYZIHBPDUHICP-HXUWFJFHSA-N 0 3 339.414 3.955 20 30 EHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(-c2ccc(OC)cc2)n1 ZINC000684767397 1025382208 /nfs/dbraw/zinc/38/22/08/1025382208.db2.gz ICWGOLIRGFPXIP-MAUKXSAKSA-N 0 3 344.480 3.890 20 30 EHEDHN COc1cc(CN2CCC[C@@H]2c2cccc(N(C)C)c2)ccc1C#N ZINC000442881934 1025562554 /nfs/dbraw/zinc/56/25/54/1025562554.db2.gz BYHNEGHHMKLBKE-HXUWFJFHSA-N 0 3 335.451 3.970 20 30 EHEDHN Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000342464508 1025661752 /nfs/dbraw/zinc/66/17/52/1025661752.db2.gz QUXIKTUCXGLARN-LBPRGKRZSA-N 0 3 326.306 3.625 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000342464508 1025661762 /nfs/dbraw/zinc/66/17/62/1025661762.db2.gz QUXIKTUCXGLARN-LBPRGKRZSA-N 0 3 326.306 3.625 20 30 EHEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CCCCS1 ZINC000329339599 1025761838 /nfs/dbraw/zinc/76/18/38/1025761838.db2.gz RCUAGWJDLRTISH-QGZVFWFLSA-N 0 3 334.485 3.517 20 30 EHEDHN COc1cc(CN2CCCN(c3ccccc3C#N)CC2)ccc1C ZINC000436487889 1025790888 /nfs/dbraw/zinc/79/08/88/1025790888.db2.gz QWXXVAQMLNAXOG-UHFFFAOYSA-N 0 3 335.451 3.588 20 30 EHEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3cc4ccncc4s3)C2)nc1 ZINC000896650466 1025803105 /nfs/dbraw/zinc/80/31/05/1025803105.db2.gz IFRMROKDKXEHAW-INIZCTEOSA-N 0 3 349.463 3.639 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC000329610716 1026075390 /nfs/dbraw/zinc/07/53/90/1026075390.db2.gz CBHVDPQYGWNHOL-OIISXLGYSA-N 0 3 329.444 3.678 20 30 EHEDHN CO[C@H](CN1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000338549764 1026096902 /nfs/dbraw/zinc/09/69/02/1026096902.db2.gz XFDLGJIGZLHLOK-OAQYLSRUSA-N 0 3 336.435 3.789 20 30 EHEDHN N#Cc1cnc(NC[C@H](c2ccccc2)N2CCCC2)c(Cl)c1 ZINC000339233135 1026449684 /nfs/dbraw/zinc/44/96/84/1026449684.db2.gz BXRJQBXEQDEFDL-QGZVFWFLSA-N 0 3 326.831 3.856 20 30 EHEDHN CN(C)[C@H](CNc1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000531094800 1026564578 /nfs/dbraw/zinc/56/45/78/1026564578.db2.gz MQPIMGPWWFPVIJ-OAHLLOKOSA-N 0 3 335.238 3.975 20 30 EHEDHN CN(C)[C@@H](CNc1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000531094799 1026564627 /nfs/dbraw/zinc/56/46/27/1026564627.db2.gz MQPIMGPWWFPVIJ-HNNXBMFYSA-N 0 3 335.238 3.975 20 30 EHEDHN CC(C)C[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000342666946 1026652991 /nfs/dbraw/zinc/65/29/91/1026652991.db2.gz UKLXNWMOIZTNJM-ROUUACIJSA-N 0 3 327.472 3.690 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000178642678 1026993673 /nfs/dbraw/zinc/99/36/73/1026993673.db2.gz LIILAMDAMBDYHR-LSDHHAIUSA-N 0 3 335.407 3.927 20 30 EHEDHN N#Cc1cccc(NC(=O)CNC2(c3ccc(F)cc3)CCCC2)c1 ZINC000533374244 1027728299 /nfs/dbraw/zinc/72/82/99/1027728299.db2.gz RJBKWYVPLITDCF-UHFFFAOYSA-N 0 3 337.398 3.695 20 30 EHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000533437798 1027843998 /nfs/dbraw/zinc/84/39/98/1027843998.db2.gz UWDLUIMGTSJDCU-GFCCVEGCSA-N 0 3 330.350 3.810 20 30 EHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000533437799 1027844670 /nfs/dbraw/zinc/84/46/70/1027844670.db2.gz UWDLUIMGTSJDCU-LBPRGKRZSA-N 0 3 330.350 3.810 20 30 EHEDHN C#CCOc1ccccc1CNC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000237635008 1027850147 /nfs/dbraw/zinc/85/01/47/1027850147.db2.gz BVKRYRZMERSMDC-IBGZPJMESA-N 0 3 338.451 3.527 20 30 EHEDHN OCC[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000421009458 1027958313 /nfs/dbraw/zinc/95/83/13/1027958313.db2.gz FCUMETTVBQHEJY-INIZCTEOSA-N 0 3 325.374 3.541 20 30 EHEDHN CN(C)C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000421360215 1028312194 /nfs/dbraw/zinc/31/21/94/1028312194.db2.gz YXIZDTDHVQETIK-GOSISDBHSA-N 0 3 331.822 3.743 20 30 EHEDHN C=CCc1cc(CNCc2n[nH]c3ccccc32)cc(OC)c1OC ZINC000729683433 1028417940 /nfs/dbraw/zinc/41/79/40/1028417940.db2.gz PEQWOIVKRDTINS-UHFFFAOYSA-N 0 3 337.423 3.598 20 30 EHEDHN C=CCc1cc(CNCc2[nH]nc3ccccc32)cc(OC)c1OC ZINC000729683433 1028417949 /nfs/dbraw/zinc/41/79/49/1028417949.db2.gz PEQWOIVKRDTINS-UHFFFAOYSA-N 0 3 337.423 3.598 20 30 EHEDHN N#CCOc1ccc(CNCc2ccccc2N2CCCCC2)cc1 ZINC000729685416 1028490185 /nfs/dbraw/zinc/49/01/85/1028490185.db2.gz SQNGHDUGGHQHPG-UHFFFAOYSA-N 0 3 335.451 3.869 20 30 EHEDHN COc1cccc(CNCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000072725878 1028515332 /nfs/dbraw/zinc/51/53/32/1028515332.db2.gz YDQCNESQLYLSBF-UHFFFAOYSA-N 0 3 346.434 3.762 20 30 EHEDHN CCN(CC)CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000502878327 1028771126 /nfs/dbraw/zinc/77/11/26/1028771126.db2.gz VHOOZSVXWJNZTN-INIZCTEOSA-N 0 3 335.451 3.744 20 30 EHEDHN N#Cc1ccc(-c2ccc(-c3noc([C@H]4NC[C@H]5C[C@H]54)n3)cc2)cc1 ZINC001211565704 1028795417 /nfs/dbraw/zinc/79/54/17/1028795417.db2.gz KXSQTTRAKHNZCG-KURKYZTESA-N 0 3 328.375 3.556 20 30 EHEDHN Cc1ccc(OCc2ccccc2)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424178877 1028852230 /nfs/dbraw/zinc/85/22/30/1028852230.db2.gz XQDUYPXGHOJFHG-KRWDZBQOSA-N 0 3 337.423 3.534 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000454456363 1028924080 /nfs/dbraw/zinc/92/40/80/1028924080.db2.gz DEVXBZJMWGWZKW-GOSISDBHSA-N 0 3 343.471 3.557 20 30 EHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCOc3ccc(Br)cc32)C1 ZINC000424336041 1028984610 /nfs/dbraw/zinc/98/46/10/1028984610.db2.gz XKYUGVVYAJILKM-LNSITVRQSA-N 0 3 335.245 3.945 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C)CC1 ZINC000249824227 1029026932 /nfs/dbraw/zinc/02/69/32/1029026932.db2.gz IWJLHDVEWCKYFB-JKSUJKDBSA-N 0 3 331.435 3.583 20 30 EHEDHN N#Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000067704843 1029195922 /nfs/dbraw/zinc/19/59/22/1029195922.db2.gz WTRZLZIIPPJHID-KRWDZBQOSA-N 0 3 337.398 3.548 20 30 EHEDHN C=C(C)CN(CC)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000054009493 1029278964 /nfs/dbraw/zinc/27/89/64/1029278964.db2.gz NNEIFPWUXKDYSL-LJQANCHMSA-N 0 3 347.503 3.686 20 30 EHEDHN C=C(C)C(C)(C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000424770376 1029325896 /nfs/dbraw/zinc/32/58/96/1029325896.db2.gz UUWORTQDOILZLX-UHFFFAOYSA-N 0 3 329.488 3.758 20 30 EHEDHN C#CCN(C[C@@H](O)c1ccc(F)cc1F)[C@H]1CCc2ccccc21 ZINC000255957110 1029374889 /nfs/dbraw/zinc/37/48/89/1029374889.db2.gz MXLWFLCYBBZVMQ-VQTJNVASSA-N 0 3 327.374 3.621 20 30 EHEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000192152998 1029603567 /nfs/dbraw/zinc/60/35/67/1029603567.db2.gz USPILAPPKGNZJZ-KRWDZBQOSA-N 0 3 326.371 3.709 20 30 EHEDHN COc1cc(C)c([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1OC ZINC000192150682 1029604499 /nfs/dbraw/zinc/60/44/99/1029604499.db2.gz ZHXCOOQVMISCPC-CYBMUJFWSA-N 0 3 328.387 3.874 20 30 EHEDHN C[C@@H](NCc1ccc(Oc2cnccn2)cc1)c1ccc(C#N)cc1 ZINC000343192844 1029701051 /nfs/dbraw/zinc/70/10/51/1029701051.db2.gz OVSUCJKLVRZTRF-OAHLLOKOSA-N 0 3 330.391 3.991 20 30 EHEDHN CC1(C)CCC[C@H]1N(CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000525893530 1030219220 /nfs/dbraw/zinc/21/92/20/1030219220.db2.gz WZFMSLRKWPKRDJ-GOSISDBHSA-N 0 3 339.483 3.630 20 30 EHEDHN CC[C@H](NCc1ccc(C)cc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000447572459 1030288961 /nfs/dbraw/zinc/28/89/61/1030288961.db2.gz CBIDZUKRCSUWGA-NRFANRHFSA-N 0 3 349.478 3.944 20 30 EHEDHN CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000075536611 1030431351 /nfs/dbraw/zinc/43/13/51/1030431351.db2.gz NJHGMEFMUWGGPD-NHCUHLMSSA-N 0 3 347.462 3.660 20 30 EHEDHN C=CCCCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000447969935 1030615935 /nfs/dbraw/zinc/61/59/35/1030615935.db2.gz AOWARMYSNVXAOG-MRXNPFEDSA-N 0 3 335.517 3.787 20 30 EHEDHN Cc1nc(N[C@H]2CC[C@@H](CC#N)C2)cc(N[C@H]2CC[C@@H](CC#N)C2)n1 ZINC000583853161 1030952013 /nfs/dbraw/zinc/95/20/13/1030952013.db2.gz TXIFYLPLCBEZAE-QAETUUGQSA-N 0 3 338.459 3.774 20 30 EHEDHN COc1cccc([C@@H](CNc2ncc(Cl)c(C)c2C#N)N(C)C)c1 ZINC000343503041 1031159635 /nfs/dbraw/zinc/15/96/35/1031159635.db2.gz ACCVYDDJWBKSJI-QGZVFWFLSA-N 0 3 344.846 3.639 20 30 EHEDHN N#Cc1ccc(C2(NCc3cc(F)cc(F)c3)CCOCC2)cc1 ZINC000527807358 1031283514 /nfs/dbraw/zinc/28/35/14/1031283514.db2.gz CHKMOZUEERIQJC-UHFFFAOYSA-N 0 3 328.362 3.632 20 30 EHEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC[C@H](C2CC2)C1 ZINC000329607166 1031320042 /nfs/dbraw/zinc/32/00/42/1031320042.db2.gz BISUVLQVOXVYSU-ZBFHGGJFSA-N 0 3 344.455 3.946 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000181352497 1031976045 /nfs/dbraw/zinc/97/60/45/1031976045.db2.gz OPHGHUSJJVWIIQ-APWZRJJASA-N 0 3 327.472 3.516 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000598595594 1033319507 /nfs/dbraw/zinc/31/95/07/1033319507.db2.gz KGYLHJUYNLCBKU-RTBURBONSA-N 0 3 326.415 3.805 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000594429447 1033366869 /nfs/dbraw/zinc/36/68/69/1033366869.db2.gz UICBHTWRBNYONG-CYBMUJFWSA-N 0 3 348.859 3.813 20 30 EHEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594433351 1033372866 /nfs/dbraw/zinc/37/28/66/1033372866.db2.gz OGFUVXKDHCUYSW-IPMKNSEASA-N 0 3 327.472 3.501 20 30 EHEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cccc(Cl)c1Cl ZINC000594448078 1033377550 /nfs/dbraw/zinc/37/75/50/1033377550.db2.gz ZUDRWRPYPZWQFM-ZWNOBZJWSA-N 0 3 328.243 3.582 20 30 EHEDHN CC(=O)N1CC[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)c2ccccc21 ZINC000598680334 1033380030 /nfs/dbraw/zinc/38/00/30/1033380030.db2.gz XBEIXOCXYGIBON-WOJBJXKFSA-N 0 3 331.419 3.633 20 30 EHEDHN CC(C)c1ccc(CN(C(=O)[C@H](N)CCCCC#N)C2CC2)cc1 ZINC000594427685 1033388459 /nfs/dbraw/zinc/38/84/59/1033388459.db2.gz VXGBEEJHVHPTKT-LJQANCHMSA-N 0 3 327.472 3.712 20 30 EHEDHN C=CCN1CCC(Nc2ccnc(CSc3ccccc3)n2)CC1 ZINC000892396125 1033402626 /nfs/dbraw/zinc/40/26/26/1033402626.db2.gz CPASECWZKSQDQA-UHFFFAOYSA-N 0 3 340.496 3.831 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1F ZINC000170672355 1033433313 /nfs/dbraw/zinc/43/33/13/1033433313.db2.gz XNANYGCGMDCYIN-GDBMZVCRSA-N 0 3 332.419 3.725 20 30 EHEDHN C=CCCN[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000608016316 1033440986 /nfs/dbraw/zinc/44/09/86/1033440986.db2.gz QFPHYQXLJVFBMR-HXUWFJFHSA-N 0 3 343.492 3.908 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2Cc3ccccc3C(C)(C)C2)CC1 ZINC000533917122 1033481834 /nfs/dbraw/zinc/48/18/34/1033481834.db2.gz VOTTWVOFTUNCLJ-UHFFFAOYSA-N 0 3 341.499 3.530 20 30 EHEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000594920819 1033546537 /nfs/dbraw/zinc/54/65/37/1033546537.db2.gz AUCBHBAKAMKVLO-OAHLLOKOSA-N 0 3 345.446 3.977 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(Cl)c2)CC1 ZINC000106255340 1033560045 /nfs/dbraw/zinc/56/00/45/1033560045.db2.gz YEEHXEFRCAEMPT-CQSZACIVSA-N 0 3 335.879 3.741 20 30 EHEDHN CN1c2ccccc2C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1=O ZINC000595058404 1033637091 /nfs/dbraw/zinc/63/70/91/1033637091.db2.gz BGDOXJXPZDPXDR-PMACEKPBSA-N 0 3 345.446 3.503 20 30 EHEDHN C=CCOCCCN[C@H](C)c1ccccc1I ZINC000595079783 1033696114 /nfs/dbraw/zinc/69/61/14/1033696114.db2.gz YRDJOQPBMYBGDP-GFCCVEGCSA-N 0 3 345.224 3.535 20 30 EHEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)C2CCCCC2)cc1 ZINC000065746649 1033906667 /nfs/dbraw/zinc/90/66/67/1033906667.db2.gz PLTFYAOYHUSEOV-UHFFFAOYSA-N 0 3 330.472 3.588 20 30 EHEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000595657744 1033937848 /nfs/dbraw/zinc/93/78/48/1033937848.db2.gz BPUFUJJIKQSTBS-ZWKOTPCHSA-N 0 3 325.456 3.610 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)c1cccc(F)c1C#N)c1ccsc1 ZINC000188233587 1034055519 /nfs/dbraw/zinc/05/55/19/1034055519.db2.gz VCKQIOIFXBBYKI-KRWDZBQOSA-N 0 3 345.443 3.572 20 30 EHEDHN C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CC(C)(C)C ZINC000603963584 1034074895 /nfs/dbraw/zinc/07/48/95/1034074895.db2.gz RWXPWGCVYAZPBE-QGZVFWFLSA-N 0 3 343.515 3.911 20 30 EHEDHN C=CCN1CCC(NC(=O)/C=C\c2ccccc2O[C@H](C)CC)CC1 ZINC000255668773 1034090798 /nfs/dbraw/zinc/09/07/98/1034090798.db2.gz AJLFKPNQYGRHDC-QXPKXGMISA-N 0 3 342.483 3.644 20 30 EHEDHN CN1CCN(Cc2ccccc2-c2ccc3c(CC#N)c[nH]c3c2)CC1 ZINC000596639969 1034342702 /nfs/dbraw/zinc/34/27/02/1034342702.db2.gz WRSPSDIZOUWMEK-UHFFFAOYSA-N 0 3 344.462 3.648 20 30 EHEDHN CN(C)[C@H]1CCOc2c(Nc3cccc(C#N)c3[N+](=O)[O-])cccc21 ZINC000450490493 1034420396 /nfs/dbraw/zinc/42/03/96/1034420396.db2.gz LCEMKUIUBUBPJE-INIZCTEOSA-N 0 3 338.367 3.595 20 30 EHEDHN C[C@@H]1C[C@@H](NC(=O)CC2(C#N)CCCCC2)CN1Cc1ccccc1 ZINC000597371127 1034723234 /nfs/dbraw/zinc/72/32/34/1034723234.db2.gz BEOPBMFCZITSCV-IEBWSBKVSA-N 0 3 339.483 3.630 20 30 EHEDHN Cc1ccc(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000179883473 1034962020 /nfs/dbraw/zinc/96/20/20/1034962020.db2.gz GTXBSBIDYCHSAN-UHFFFAOYSA-N 0 3 330.435 3.899 20 30 EHEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000185636798 1035506857 /nfs/dbraw/zinc/50/68/57/1035506857.db2.gz IKXTZGYDAWDVQE-WMZOPIPTSA-N 0 3 327.472 3.671 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc3ccn(CCC)c3c2)CC1 ZINC000173465499 1035638119 /nfs/dbraw/zinc/63/81/19/1035638119.db2.gz SVJATZZRTMAIJH-UHFFFAOYSA-N 0 3 340.471 3.823 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000582595146 1036007204 /nfs/dbraw/zinc/00/72/04/1036007204.db2.gz VBXXIVIZSIUHEF-RTBURBONSA-N 0 3 335.455 3.965 20 30 EHEDHN COC(=O)c1cccc(CN2C[C@@H](c3ccccc3)C[C@@H]2C)c1C#N ZINC000535203909 1036158189 /nfs/dbraw/zinc/15/81/89/1036158189.db2.gz BAQNMEHYRQGAPJ-YJBOKZPZSA-N 0 3 334.419 3.723 20 30 EHEDHN C=CCN1CCC(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000589111233 1036257406 /nfs/dbraw/zinc/25/74/06/1036257406.db2.gz HCDZNFGRHYGQJR-UHFFFAOYSA-N 0 3 329.322 3.676 20 30 EHEDHN COc1ccc(CN[C@@H](C)[C@H](OC)c2ccccc2F)cc1C#N ZINC000272111346 1036258128 /nfs/dbraw/zinc/25/81/28/1036258128.db2.gz XURCXSVKMUFMPN-DJJJIMSYSA-N 0 3 328.387 3.572 20 30 EHEDHN COc1ccc(CN[C@H](C)[C@@H](OC)c2ccccc2F)cc1C#N ZINC000272111345 1036277084 /nfs/dbraw/zinc/27/70/84/1036277084.db2.gz XURCXSVKMUFMPN-BFUOFWGJSA-N 0 3 328.387 3.572 20 30 EHEDHN C=CC[C@@H](C)NCc1c(F)ccc(I)c1F ZINC000309756664 1036707033 /nfs/dbraw/zinc/70/70/33/1036707033.db2.gz LRJBMCDZHIFWGG-MRVPVSSYSA-N 0 3 337.151 3.624 20 30 EHEDHN C#C[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000491656035 1037606160 /nfs/dbraw/zinc/60/61/60/1037606160.db2.gz CZEVIXSSGDXFTA-FQEVSTJZSA-N 0 3 339.870 3.664 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCOC2)c(Br)c1 ZINC000592134904 1037844567 /nfs/dbraw/zinc/84/45/67/1037844567.db2.gz SGYAAVOFDQOCDP-DOTOQJQBSA-N 0 3 349.272 3.712 20 30 EHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)cc1F ZINC000592176636 1037906706 /nfs/dbraw/zinc/90/67/06/1037906706.db2.gz AIKPHBNQEQVPRX-FQEVSTJZSA-N 0 3 336.410 3.857 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)CC1 ZINC000592302247 1037912751 /nfs/dbraw/zinc/91/27/51/1037912751.db2.gz FXLURHFLSNBOHZ-IBGZPJMESA-N 0 3 341.499 3.820 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2ccc(C)cc2)CC1 ZINC000592295592 1037913536 /nfs/dbraw/zinc/91/35/36/1037913536.db2.gz BQIUJWQCQBLZSD-UHFFFAOYSA-N 0 3 343.515 3.612 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000454175146 1037923987 /nfs/dbraw/zinc/92/39/87/1037923987.db2.gz QYIJHINJBWXTEP-QGZVFWFLSA-N 0 3 348.450 3.544 20 30 EHEDHN C[C@@H](CNCc1nc(C#N)cs1)c1ccc(C(F)(F)F)cc1 ZINC000574003929 1037969753 /nfs/dbraw/zinc/96/97/53/1037969753.db2.gz DWEGAJFKANBQGO-JTQLQIEISA-N 0 3 325.359 3.927 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000492128302 1038012264 /nfs/dbraw/zinc/01/22/64/1038012264.db2.gz AFCAUZZYNQDMIK-RDJZCZTQSA-N 0 3 343.471 3.856 20 30 EHEDHN C[C@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000538507948 1038349152 /nfs/dbraw/zinc/34/91/52/1038349152.db2.gz NWNAMQAJOJZSRP-KSSFIOAISA-N 0 3 343.446 3.529 20 30 EHEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccc(F)cc1F ZINC000181595175 1038637860 /nfs/dbraw/zinc/63/78/60/1038637860.db2.gz FFYRBFPHSJWLQI-GFCCVEGCSA-N 0 3 332.350 3.575 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000461934082 1038682834 /nfs/dbraw/zinc/68/28/34/1038682834.db2.gz YLDAGAQBMNOIOV-CSODHUTKSA-N 0 3 347.462 3.613 20 30 EHEDHN CC[C@H](C)[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000539315404 1038769496 /nfs/dbraw/zinc/76/94/96/1038769496.db2.gz VDJOAJIZYVGWSB-FASAQXTFSA-N 0 3 347.890 3.825 20 30 EHEDHN N#Cc1ccc(N2CC[C@@H](N3CCCC4(CCCCC4)C3)C2=O)cc1 ZINC000554077938 1038884125 /nfs/dbraw/zinc/88/41/25/1038884125.db2.gz YLTRCQOADLUGBU-LJQANCHMSA-N 0 3 337.467 3.710 20 30 EHEDHN C=CCCC[C@H](NC(=S)NC1CCN(C)CC1)c1ccccc1 ZINC000905540123 1038934492 /nfs/dbraw/zinc/93/44/92/1038934492.db2.gz VQEBNMOCZYALJG-SFHVURJKSA-N 0 3 331.529 3.642 20 30 EHEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000613733530 1039494259 /nfs/dbraw/zinc/49/42/59/1039494259.db2.gz DQICOOYGPDNOHU-SFHVURJKSA-N 0 3 337.467 3.548 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000486497615 1040190702 /nfs/dbraw/zinc/19/07/02/1040190702.db2.gz UAJAABCKUKPHQT-QUCCMNQESA-N 0 3 341.499 3.662 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc3c2ccn3C(F)F)CC1 ZINC000667513644 1040377143 /nfs/dbraw/zinc/37/71/43/1040377143.db2.gz HPEGAJDYUILCMX-UHFFFAOYSA-N 0 3 348.397 3.808 20 30 EHEDHN CN1CCN(Cc2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 ZINC000614177133 1040379749 /nfs/dbraw/zinc/37/97/49/1040379749.db2.gz MHMUYHUOSRFUIQ-NRFANRHFSA-N 0 3 333.479 3.976 20 30 EHEDHN COc1ccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433008166 1040434172 /nfs/dbraw/zinc/43/41/72/1040434172.db2.gz CEJKSAOYCNCRTL-IBGZPJMESA-N 0 3 337.423 3.658 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000433019533 1040468335 /nfs/dbraw/zinc/46/83/35/1040468335.db2.gz KGCPPPUDUVHJQB-KRWDZBQOSA-N 0 3 343.377 3.928 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000433020893 1040475343 /nfs/dbraw/zinc/47/53/43/1040475343.db2.gz VCTJFTOAEFIIQP-KRWDZBQOSA-N 0 3 343.377 3.928 20 30 EHEDHN Cn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c(-c2ccncc2)n1 ZINC000418140789 1040653156 /nfs/dbraw/zinc/65/31/56/1040653156.db2.gz FWONWFQLVIFSCY-FQEVSTJZSA-N 0 3 343.434 3.521 20 30 EHEDHN C=CCCCN(CC)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000899695675 1040976415 /nfs/dbraw/zinc/97/64/15/1040976415.db2.gz IEQOWTBLLCZEBR-UHFFFAOYSA-N 0 3 345.556 3.814 20 30 EHEDHN C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)c1ccccc1 ZINC000541613636 1041569678 /nfs/dbraw/zinc/56/96/78/1041569678.db2.gz LDWNQEJTBBPFMA-HUUCEWRRSA-N 0 3 332.407 3.890 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC000595257728 1042178516 /nfs/dbraw/zinc/17/85/16/1042178516.db2.gz VMVDSHXUICXGMX-FQEVSTJZSA-N 0 3 341.499 3.804 20 30 EHEDHN C=C[C@@H](CC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1 ZINC000662885144 1042188048 /nfs/dbraw/zinc/18/80/48/1042188048.db2.gz RKEJKKQDHWMQLY-OXJNMPFZSA-N 0 3 336.435 3.646 20 30 EHEDHN COc1cc(CNCCCC#N)cc(OC)c1OCc1ccccc1 ZINC000344331376 1043671451 /nfs/dbraw/zinc/67/14/51/1043671451.db2.gz XACUZTPHLMLJGY-UHFFFAOYSA-N 0 3 340.423 3.676 20 30 EHEDHN C=CCC(C)(C)CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000432594658 1044435037 /nfs/dbraw/zinc/43/50/37/1044435037.db2.gz UGUCPNGBLBMLMU-SFHVURJKSA-N 0 3 343.515 3.895 20 30 EHEDHN CCc1cnccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000183504055 1125578565 /nfs/dbraw/zinc/57/85/65/1125578565.db2.gz LRIRGRMYNXPCBJ-CYBMUJFWSA-N 0 3 340.333 3.879 20 30 EHEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000173971921 1126844338 /nfs/dbraw/zinc/84/43/38/1126844338.db2.gz LEWPYEDQVRQLFS-ZWKOTPCHSA-N 0 3 335.451 3.981 20 30 EHEDHN C=CCOc1c(Cl)cc(CNCCOC(C)(C)C)cc1OC ZINC000623385489 1126939487 /nfs/dbraw/zinc/93/94/87/1126939487.db2.gz NPKCCCZBGMYJQF-UHFFFAOYSA-N 0 3 327.852 3.818 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCC2=Cc3ccccc3OC2)c1 ZINC000073012326 1126974917 /nfs/dbraw/zinc/97/49/17/1126974917.db2.gz SIDKWQAYNACWEO-IBGZPJMESA-N 0 3 334.419 3.933 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000180049600 1127114401 /nfs/dbraw/zinc/11/44/01/1127114401.db2.gz IKJAKKTWZMEMTB-GOSISDBHSA-N 0 3 325.456 3.626 20 30 EHEDHN N#CC(C(=O)c1cccc2nccnc21)c1ccc(C(F)(F)F)cn1 ZINC000542644827 1127552524 /nfs/dbraw/zinc/55/25/24/1127552524.db2.gz KPZIZIQGTZECAN-LBPRGKRZSA-N 0 3 342.280 3.534 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000172398774 1127942305 /nfs/dbraw/zinc/94/23/05/1127942305.db2.gz SHPCSZZHQXESMV-KRWDZBQOSA-N 0 3 339.483 3.590 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC001670905938 1128021714 /nfs/dbraw/zinc/02/17/14/1128021714.db2.gz XJAZHXLOOVNVOX-MRXNPFEDSA-N 0 3 336.439 3.509 20 30 EHEDHN C=CCN(C)CCN(CC)Cc1ccc(C)cc1Br ZINC001653455840 1120071547 /nfs/dbraw/zinc/07/15/47/1120071547.db2.gz AAGRYYDDYSNFGZ-UHFFFAOYSA-N 0 3 325.294 3.697 20 30 EHEDHN C=CC(C)(C)CCCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001687384027 1120243932 /nfs/dbraw/zinc/24/39/32/1120243932.db2.gz JMAVSVLTASUVEJ-IBGZPJMESA-N 0 3 343.515 3.861 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2Cc3ccccc3C[C@H]2CC)CC1 ZINC000184867495 1120391137 /nfs/dbraw/zinc/39/11/37/1120391137.db2.gz CYRGQLWTEBZATK-HXUWFJFHSA-N 0 3 341.499 3.573 20 30 EHEDHN C=C(C)[C@H](NC(=O)N(CCN(C)C)C(C)C)c1ccc(F)c(F)c1 ZINC000185844288 1120431985 /nfs/dbraw/zinc/43/19/85/1120431985.db2.gz XUVAJBYCQFTIOQ-KRWDZBQOSA-N 0 3 339.430 3.564 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000153649155 1121550353 /nfs/dbraw/zinc/55/03/53/1121550353.db2.gz BBTICEXVKDJKCI-MRXNPFEDSA-N 0 3 349.409 3.874 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000171736601 1121651038 /nfs/dbraw/zinc/65/10/38/1121651038.db2.gz IFOMWRHPXBQWPK-UHFFFAOYSA-N 0 3 341.427 3.773 20 30 EHEDHN CC(C)(C)OC(=O)NC1CC(N[C@H](CCC#N)c2ccccc2)C1 ZINC000496510524 1122108058 /nfs/dbraw/zinc/10/80/58/1122108058.db2.gz FTDWFTYBPYBHDV-OFLPRAFFSA-N 0 3 329.444 3.677 20 30 EHEDHN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1ccc(C#N)cc1 ZINC000497062609 1122258834 /nfs/dbraw/zinc/25/88/34/1122258834.db2.gz KORDUNDTEFANGK-HNNXBMFYSA-N 0 3 335.407 3.708 20 30 EHEDHN C=C[C@@H](CC(=O)N(CCN(C)C)Cc1cccs1)c1ccccc1 ZINC000123746635 1122263032 /nfs/dbraw/zinc/26/30/32/1122263032.db2.gz UISBFEYVVCEGEG-KRWDZBQOSA-N 0 3 342.508 3.998 20 30 EHEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(Oc3ccccc3)cc2)C1=O ZINC000499598659 1129063813 /nfs/dbraw/zinc/06/38/13/1129063813.db2.gz AHFQXZMPCQCCHN-OXQOHEQNSA-N 0 3 336.435 3.916 20 30 EHEDHN C=CCN1CCC(NC(=O)c2oc3ccccc3c2CSC)CC1 ZINC000609266559 1122693728 /nfs/dbraw/zinc/69/37/28/1122693728.db2.gz MQUSSVAAHJPDGZ-UHFFFAOYSA-N 0 3 344.480 3.676 20 30 EHEDHN C=CCN1CC[C@@H](N[C@@H](c2oc3ccccc3c2C)C(C)C)C1=O ZINC000499609016 1129076175 /nfs/dbraw/zinc/07/61/75/1129076175.db2.gz WYKILBSXXLKYGJ-SJLPKXTDSA-N 0 3 326.440 3.815 20 30 EHEDHN C=CCOc1cccc(CN[C@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000556407297 1122964319 /nfs/dbraw/zinc/96/43/19/1122964319.db2.gz DVIHKNQCACMVDY-OAQYLSRUSA-N 0 3 340.467 3.653 20 30 EHEDHN C[C@H](Cc1ccccc1Cl)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000155112312 1123186530 /nfs/dbraw/zinc/18/65/30/1123186530.db2.gz XCDIALOLOOPCMQ-CJNGLKHVSA-N 0 3 346.858 3.676 20 30 EHEDHN N#CC(C(=O)CCCOc1ccc2c(c1)CCCC2)c1ccccn1 ZINC000132206466 1129109207 /nfs/dbraw/zinc/10/92/07/1129109207.db2.gz KPLKVEXEZCCUMN-IBGZPJMESA-N 0 3 334.419 3.996 20 30 EHEDHN CCO[C@H](CC)C(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000920110626 1123294429 /nfs/dbraw/zinc/29/44/29/1123294429.db2.gz FEZUEVFWHHWTHY-RRQGHBQHSA-N 0 3 330.428 3.663 20 30 EHEDHN CC(C)SCC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000920141368 1123316863 /nfs/dbraw/zinc/31/68/63/1123316863.db2.gz IKDBSCAGDCDHPQ-CQSZACIVSA-N 0 3 341.461 4.000 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H](C)OCC(C)C ZINC000920790214 1123423769 /nfs/dbraw/zinc/42/37/69/1123423769.db2.gz RXJWWTQHKRFHGX-YOEHRIQHSA-N 0 3 344.455 3.520 20 30 EHEDHN C#CCCCCN[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000130778059 1123733621 /nfs/dbraw/zinc/73/36/21/1123733621.db2.gz JYZBKGUNTQSAJO-FQEVSTJZSA-N 0 3 336.435 3.768 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000610132302 1123738887 /nfs/dbraw/zinc/73/88/87/1123738887.db2.gz RUVJRWXBDCJTEB-SFHVURJKSA-N 0 3 340.398 3.922 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc(F)cc1F ZINC000179622396 1123809142 /nfs/dbraw/zinc/80/91/42/1123809142.db2.gz CSRHHJXNZHDPBC-OAHLLOKOSA-N 0 3 349.406 3.967 20 30 EHEDHN CC(C)C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000179717503 1123832233 /nfs/dbraw/zinc/83/22/33/1123832233.db2.gz OZTQSZIFDQCZGK-MJGOQNOKSA-N 0 3 347.890 3.825 20 30 EHEDHN C=CCNC(=O)[C@H](C)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000616022505 1123926350 /nfs/dbraw/zinc/92/63/50/1123926350.db2.gz IFWPESBSJPFNIA-HNAYVOBHSA-N 0 3 342.870 3.904 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(Cl)c2c(c1)OCCO2 ZINC000618742735 1125179807 /nfs/dbraw/zinc/17/98/07/1125179807.db2.gz QVSSBLFPECOKIK-QGZVFWFLSA-N 0 3 340.810 3.760 20 30 EHEDHN COCCOc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748478 1125399997 /nfs/dbraw/zinc/39/99/97/1125399997.db2.gz GEUKZCPDSXNMHE-UHFFFAOYSA-N 0 3 330.815 3.527 20 30 EHEDHN Cn1cc(CNCc2ccc(C#N)c(Cl)c2)c(-c2ccccc2)n1 ZINC000619748585 1125400138 /nfs/dbraw/zinc/40/01/38/1125400138.db2.gz JCWRTDGYTJZNQS-UHFFFAOYSA-N 0 3 336.826 3.902 20 30 EHEDHN C#Cc1cccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000076097267 1125420854 /nfs/dbraw/zinc/42/08/54/1125420854.db2.gz WOHDOUCHNYOBKJ-FQEVSTJZSA-N 0 3 333.435 3.627 20 30 EHEDHN C=CC[C@@H](Cc1ccccc1)NCc1csc(-c2ccn(C)n2)n1 ZINC000922185465 1129317317 /nfs/dbraw/zinc/31/73/17/1129317317.db2.gz YRVVXCWXOPAHLM-INIZCTEOSA-N 0 3 338.480 3.821 20 30 EHEDHN N#Cc1cccc(OCCCN2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000155435403 1129638610 /nfs/dbraw/zinc/63/86/10/1129638610.db2.gz XGSHFSRKXWEPIY-UHFFFAOYSA-N 0 3 334.419 3.822 20 30 EHEDHN COc1cc(CN(C)CCOc2ccccc2C#N)ccc1SC ZINC000058527565 1129947027 /nfs/dbraw/zinc/94/70/27/1129947027.db2.gz IBNNOWIOKSYCGG-UHFFFAOYSA-N 0 3 342.464 3.800 20 30 EHEDHN N#Cc1ccc(CNCC2(c3ccccc3Br)CC2)o1 ZINC000174425079 1130357781 /nfs/dbraw/zinc/35/77/81/1130357781.db2.gz QZRSVKNRXOOSDB-UHFFFAOYSA-N 0 3 331.213 3.735 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1OC ZINC000731360804 1130791650 /nfs/dbraw/zinc/79/16/50/1130791650.db2.gz ONTHBEVBQJYAIU-HNNXBMFYSA-N 0 3 343.452 3.698 20 30 EHEDHN N#Cc1ccc(C2=CCN(CCC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000347972451 1131099761 /nfs/dbraw/zinc/09/97/61/1131099761.db2.gz HGIAITHYBZFODW-UHFFFAOYSA-N 0 3 349.409 3.815 20 30 EHEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000739999933 1131515331 /nfs/dbraw/zinc/51/53/31/1131515331.db2.gz NBPGOKDWAPBOMF-LSDHHAIUSA-N 0 3 340.854 3.796 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([O-])c1 ZINC000741463318 1131605417 /nfs/dbraw/zinc/60/54/17/1131605417.db2.gz CZQZUPBJNPADET-RKBSBGDISA-N 0 3 330.472 3.861 20 30 EHEDHN C=CCN(CCc1ccccc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741782425 1131646933 /nfs/dbraw/zinc/64/69/33/1131646933.db2.gz VAUNUXNKBBOLQV-FQEVSTJZSA-N 0 3 336.435 3.743 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000742371165 1131716335 /nfs/dbraw/zinc/71/63/35/1131716335.db2.gz JBABKOSGYBNCIG-GOSISDBHSA-N 0 3 335.407 3.538 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cnc3c(C)cccn23)c1 ZINC000742371092 1131716384 /nfs/dbraw/zinc/71/63/84/1131716384.db2.gz HQUASZHDUACVKC-SFHVURJKSA-N 0 3 334.423 3.614 20 30 EHEDHN C[C@H](CCCC#N)N1CCN(c2ccc(Br)cc2)CC1 ZINC001172495264 1131758880 /nfs/dbraw/zinc/75/88/80/1131758880.db2.gz CZSPYBVZDSUCMP-CQSZACIVSA-N 0 3 336.277 3.653 20 30 EHEDHN CCCCCCC[C@H](CCC)n1nc(C(=O)N(C)C)c2c1CCNC2 ZINC001172512092 1131764545 /nfs/dbraw/zinc/76/45/45/1131764545.db2.gz YSSDLXYPARMDED-INIZCTEOSA-N 0 3 348.535 3.932 20 30 EHEDHN CC(C)OC(=O)CC[C@H](C)N1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001172771976 1131841989 /nfs/dbraw/zinc/84/19/89/1131841989.db2.gz ARNOJKAVDVMLMY-FUHWJXTLSA-N 0 3 344.455 3.522 20 30 EHEDHN C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000743089514 1131851751 /nfs/dbraw/zinc/85/17/51/1131851751.db2.gz ISLUYLOZHGZGLS-UHFFFAOYSA-N 0 3 341.386 3.543 20 30 EHEDHN CCN(Cc1cccs1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989435 1131925053 /nfs/dbraw/zinc/92/50/53/1131925053.db2.gz GQSJSSZYLFYQIB-GJZGRUSLSA-N 0 3 349.500 3.862 20 30 EHEDHN Cc1cccc(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172981391 1131925196 /nfs/dbraw/zinc/92/51/96/1131925196.db2.gz VUJIYZIVLLGADG-ROUUACIJSA-N 0 3 343.471 3.719 20 30 EHEDHN C[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2)CN1C(=O)OC(C)(C)C ZINC001173069700 1131953947 /nfs/dbraw/zinc/95/39/47/1131953947.db2.gz JTAXGJLWLXNANJ-YJBOKZPZSA-N 0 3 343.471 3.778 20 30 EHEDHN N#CC(C(=O)CCCOc1cccnc1)c1ccc2ccccc2n1 ZINC000744015352 1132007278 /nfs/dbraw/zinc/00/72/78/1132007278.db2.gz OKPWHLKZLFBXEN-QGZVFWFLSA-N 0 3 331.375 3.665 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3C[C@@]34CCc3ccccc34)nc21 ZINC000744161390 1132036013 /nfs/dbraw/zinc/03/60/13/1132036013.db2.gz TZNRLBUCMMVUGQ-ZDPZECHZSA-N 0 3 341.414 3.952 20 30 EHEDHN CC[C@H](C)[C@H]([NH2+][C@H](C)CCc1ccc(Cl)c(Cl)c1)C(=O)N[O-] ZINC001173548099 1132092026 /nfs/dbraw/zinc/09/20/26/1132092026.db2.gz XPTFDQUETKWNBY-RWSFTLGLSA-N 0 3 347.286 3.824 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](C)CC2)cc1 ZINC000745170800 1132212958 /nfs/dbraw/zinc/21/29/58/1132212958.db2.gz RFCMZWSIZDOVJR-AEFFLSMTSA-N 0 3 327.472 3.752 20 30 EHEDHN Cc1cccc2c1CCN2CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000746387186 1132505781 /nfs/dbraw/zinc/50/57/81/1132505781.db2.gz HPYIYOYPCBFPCF-HNNXBMFYSA-N 0 3 347.443 3.844 20 30 EHEDHN C#Cc1cccc(NCc2ccccc2N2CCN(CCC)CC2)c1 ZINC000766444926 1132545502 /nfs/dbraw/zinc/54/55/02/1132545502.db2.gz GSQJONIDRSAQPR-UHFFFAOYSA-N 0 3 333.479 3.812 20 30 EHEDHN C=CCOc1cccc(CNCc2cccc(Cn3ccnc3)c2)c1 ZINC001177217393 1133042027 /nfs/dbraw/zinc/04/20/27/1133042027.db2.gz RFSBQZWNGZIRQE-UHFFFAOYSA-N 0 3 333.435 3.786 20 30 EHEDHN Cc1ccc2c(c1)CCN2CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000773649472 1133058544 /nfs/dbraw/zinc/05/85/44/1133058544.db2.gz WDAUOMWJFMXUJL-HNNXBMFYSA-N 0 3 347.443 3.844 20 30 EHEDHN CC[C@@H](CSC)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000773702802 1133094433 /nfs/dbraw/zinc/09/44/33/1133094433.db2.gz RKFXAVFERYWUQA-QWHCGFSZSA-N 0 3 347.509 3.546 20 30 EHEDHN COc1nc(NC(=O)C(C#N)Cc2cccs2)cc2ccccc21 ZINC001177908698 1133110884 /nfs/dbraw/zinc/11/08/84/1133110884.db2.gz NAKSYUFHVUBXDP-CYBMUJFWSA-N 0 3 337.404 3.626 20 30 EHEDHN CCN(C)c1ccc(CN(CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000773746209 1133169374 /nfs/dbraw/zinc/16/93/74/1133169374.db2.gz JHJHSSJXJYYTHZ-UHFFFAOYSA-N 0 3 337.467 3.663 20 30 EHEDHN C#CCOc1cccc(Cl)c1CNC[C@@](C)(O)C1CCCCC1 ZINC001178482440 1133173108 /nfs/dbraw/zinc/17/31/08/1133173108.db2.gz BYLWSLNSXAJSOT-LJQANCHMSA-N 0 3 335.875 3.773 20 30 EHEDHN CS[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000773767337 1133194896 /nfs/dbraw/zinc/19/48/96/1133194896.db2.gz CBLDVBWTSWWXMH-GXSJLCMTSA-N 0 3 342.823 3.658 20 30 EHEDHN C=CCCC[C@H](C)OC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785711213 1133745826 /nfs/dbraw/zinc/74/58/26/1133745826.db2.gz VPZRENQAAXGQEY-KRWDZBQOSA-N 0 3 345.483 3.793 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1(C)CCCC1 ZINC000786218436 1133821405 /nfs/dbraw/zinc/82/14/05/1133821405.db2.gz PMPXMYQXFBDOBA-ZDUSSCGKSA-N 0 3 327.453 3.737 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000786295218 1133828398 /nfs/dbraw/zinc/82/83/98/1133828398.db2.gz BBQWCWWAIBCAMV-ZBFHGGJFSA-N 0 3 339.439 3.677 20 30 EHEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786555492 1133874733 /nfs/dbraw/zinc/87/47/33/1133874733.db2.gz UBYJPLMEEKDFSC-WBMJQRKESA-N 0 3 348.393 3.506 20 30 EHEDHN C#CCC1(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CCCCC1 ZINC000788180134 1134087460 /nfs/dbraw/zinc/08/74/60/1134087460.db2.gz UZCDGSBJEDJFBF-LJQANCHMSA-N 0 3 326.484 3.688 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C#N)c1ccco1 ZINC001186404905 1134208372 /nfs/dbraw/zinc/20/83/72/1134208372.db2.gz JAGLCJAFSDQECL-CJNGLKHVSA-N 0 3 342.399 3.909 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](COC)Cc2ccccc2)c([O-])c1 ZINC000746817152 1134273428 /nfs/dbraw/zinc/27/34/28/1134273428.db2.gz WWKHUEFKSNJOGT-UQRWVXEISA-N 0 3 340.467 3.915 20 30 EHEDHN COc1ccc(O)c(/C=N/C[C@@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000746815575 1134276067 /nfs/dbraw/zinc/27/60/67/1134276067.db2.gz KWWVLTZYYQZIRQ-PBGVMVHZSA-N 0 3 332.831 3.776 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1cc(OC)ccc1OC ZINC000791565918 1134574924 /nfs/dbraw/zinc/57/49/24/1134574924.db2.gz KSNBMRCBNSDIBW-HXUWFJFHSA-N 0 3 341.451 3.816 20 30 EHEDHN CC[C@](C)(NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000775387278 1134700596 /nfs/dbraw/zinc/70/05/96/1134700596.db2.gz KNJSIOABNACCEJ-IBGZPJMESA-N 0 3 327.472 3.586 20 30 EHEDHN CN1CC(CNc2ncc(C(F)(F)F)cc2-c2cccc(C#N)c2)C1 ZINC001170252595 1134732791 /nfs/dbraw/zinc/73/27/91/1134732791.db2.gz BHWRRTDQEJBRPN-UHFFFAOYSA-N 0 3 346.356 3.613 20 30 EHEDHN C=CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1Cl ZINC000793391382 1134922566 /nfs/dbraw/zinc/92/25/66/1134922566.db2.gz WYUGVOAMVGOOQQ-UHFFFAOYSA-N 0 3 333.815 3.909 20 30 EHEDHN CCCCCCCOC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001193995366 1135219414 /nfs/dbraw/zinc/21/94/14/1135219414.db2.gz MNUMNYVPBZDSAY-QZTJIDSGSA-N 0 3 345.487 3.552 20 30 EHEDHN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000805762474 1135329050 /nfs/dbraw/zinc/32/90/50/1135329050.db2.gz AWFJBVIHQIJSMT-GOSISDBHSA-N 0 3 343.471 3.828 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2COC3(CCCCC3)O2)c([O-])c1 ZINC000775633816 1135363837 /nfs/dbraw/zinc/36/38/37/1135363837.db2.gz LFRWGRFMQOCZNB-PKIWBCANSA-N 0 3 346.471 3.733 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806173572 1135397836 /nfs/dbraw/zinc/39/78/36/1135397836.db2.gz YJISUTYBOVCRCI-IERDGZPVSA-N 0 3 340.442 3.791 20 30 EHEDHN C=CC[C@@H]1CCCN(Cc2cn3cc(Br)ccc3n2)C1 ZINC001195945944 1135498007 /nfs/dbraw/zinc/49/80/07/1135498007.db2.gz CYADIHFLCSJBQG-CYBMUJFWSA-N 0 3 334.261 3.885 20 30 EHEDHN CN1CCC(N(C(=S)Nc2ccccc2C#N)C2CCCC2)CC1 ZINC001196319233 1135545214 /nfs/dbraw/zinc/54/52/14/1135545214.db2.gz YQCUNPLJHCJEPN-UHFFFAOYSA-N 0 3 342.512 3.594 20 30 EHEDHN C[C@H]1CCCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000775732891 1135591949 /nfs/dbraw/zinc/59/19/49/1135591949.db2.gz XQBQUNWMWPVLRB-KBPBESRZSA-N 0 3 327.453 3.595 20 30 EHEDHN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1C ZINC001197622192 1135709465 /nfs/dbraw/zinc/70/94/65/1135709465.db2.gz SVSRTEMJUHESHK-GJZGRUSLSA-N 0 3 337.423 3.553 20 30 EHEDHN C#CC[C@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC001197700870 1135727488 /nfs/dbraw/zinc/72/74/88/1135727488.db2.gz AEZXQMBCLXVJCS-STQMWFEESA-N 0 3 339.266 3.516 20 30 EHEDHN C#Cc1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)cc1 ZINC000809591586 1135858958 /nfs/dbraw/zinc/85/89/58/1135858958.db2.gz IQOWJHRJUAOABP-NRFANRHFSA-N 0 3 331.415 3.997 20 30 EHEDHN C#C[C@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(C)C ZINC000809685465 1135871483 /nfs/dbraw/zinc/87/14/83/1135871483.db2.gz VIMNYBIATQYEJY-KRWDZBQOSA-N 0 3 335.373 3.698 20 30 EHEDHN C[C@@H](C#N)CN(C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809965603 1135904472 /nfs/dbraw/zinc/90/44/72/1135904472.db2.gz IQJZNKIBDLFMSV-ULQDDVLXSA-N 0 3 349.519 3.942 20 30 EHEDHN C[C@@](C#N)(NC(=O)CN[C@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000776008178 1135919318 /nfs/dbraw/zinc/91/93/18/1135919318.db2.gz UVTZSWOSHTUGPE-RTWAWAEBSA-N 0 3 339.483 3.706 20 30 EHEDHN COCc1cc([C@H](C)NCc2ccc(C#N)c(OC)c2)ccc1OC ZINC000810251274 1135948871 /nfs/dbraw/zinc/94/88/71/1135948871.db2.gz PYPBWBZUQNFQHQ-AWEZNQCLSA-N 0 3 340.423 3.573 20 30 EHEDHN CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000810437857 1135964615 /nfs/dbraw/zinc/96/46/15/1135964615.db2.gz JQRDDWGZEAXHBC-YWZLYKJASA-N 0 3 345.462 3.680 20 30 EHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1(CCF)CC1 ZINC000810530397 1135970552 /nfs/dbraw/zinc/97/05/52/1135970552.db2.gz CMDWOSLGIWOSMV-JTQLQIEISA-N 0 3 343.185 3.781 20 30 EHEDHN CCCN1CCc2c(N)sc(Nc3ccc(C#N)cc3F)c2C1 ZINC001201567181 1136042083 /nfs/dbraw/zinc/04/20/83/1136042083.db2.gz ZTCGISUZAZPANH-UHFFFAOYSA-N 0 3 330.432 3.853 20 30 EHEDHN CCCCCCCN1CC[C@H]2[C@H](C1)OCCN2C(=O)OC(C)(C)C ZINC001201761716 1136060476 /nfs/dbraw/zinc/06/04/76/1136060476.db2.gz PGUBHZNSWQVGAR-IRXDYDNUSA-N 0 3 340.508 3.667 20 30 EHEDHN N#CCc1ccc(COC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000776215100 1136067674 /nfs/dbraw/zinc/06/76/74/1136067674.db2.gz WIGTWWPBTQXTKM-UHFFFAOYSA-N 0 3 348.446 3.708 20 30 EHEDHN CCCCCCCCCCN1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001201875084 1136072039 /nfs/dbraw/zinc/07/20/39/1136072039.db2.gz OXVAUVDIZMNARR-MOPGFXCFSA-N 0 3 346.519 3.507 20 30 EHEDHN CC(C)=CCC[C@@H](C)CCN1CCN(c2cc(C#N)ccn2)CC1 ZINC001201979994 1136075804 /nfs/dbraw/zinc/07/58/04/1136075804.db2.gz APTSHXOTXXDDLN-GOSISDBHSA-N 0 3 326.488 3.848 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2C2CCCCC2)CC1 ZINC000106341269 1136083687 /nfs/dbraw/zinc/08/36/87/1136083687.db2.gz CHTQNOSJWZKYAN-UHFFFAOYSA-N 0 3 345.491 3.550 20 30 EHEDHN N#C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000776384881 1136172514 /nfs/dbraw/zinc/17/25/14/1136172514.db2.gz ANSBSAHOEKJDIG-HXUWFJFHSA-N 0 3 340.467 3.914 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc(COC)cs2)c1 ZINC000850137109 1136213479 /nfs/dbraw/zinc/21/34/79/1136213479.db2.gz IWDXCSLKOOZYAR-MRXNPFEDSA-N 0 3 330.453 3.865 20 30 EHEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)cnc1Cl ZINC000850383492 1136246567 /nfs/dbraw/zinc/24/65/67/1136246567.db2.gz FIFQAAIOWYKEGX-UHFFFAOYSA-N 0 3 341.842 3.711 20 30 EHEDHN C#C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000812795479 1136251589 /nfs/dbraw/zinc/25/15/89/1136251589.db2.gz YOMQCTGNNFGHDE-ROUUACIJSA-N 0 3 346.446 3.879 20 30 EHEDHN C#C[C@@H](NC1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000812793088 1136251626 /nfs/dbraw/zinc/25/16/26/1136251626.db2.gz NYUDPDXRZJUXOO-DAWZGUTISA-N 0 3 346.446 3.926 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)[C@@H](C)COC)cc1 ZINC000813059508 1136283658 /nfs/dbraw/zinc/28/36/58/1136283658.db2.gz AXRMJFBRRMEWIG-HDMKZQKVSA-N 0 3 344.455 3.595 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@H](OC)C2)cc1 ZINC000850761099 1136301719 /nfs/dbraw/zinc/30/17/19/1136301719.db2.gz GUBWRNFVSLVPKL-UNQWWWNPSA-N 0 3 342.439 3.663 20 30 EHEDHN CCc1ccccc1OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218150 1136304376 /nfs/dbraw/zinc/30/43/76/1136304376.db2.gz SMNRMFDMXOSADI-AWEZNQCLSA-N 0 3 348.324 3.918 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000173196818 1136360596 /nfs/dbraw/zinc/36/05/96/1136360596.db2.gz MWUUHAIOGJIGKX-DNVCBOLYSA-N 0 3 345.462 3.569 20 30 EHEDHN C[C@]1(C#N)CCN(CCCCCCCCN2CC[C@](C)(C#N)C2)C1 ZINC000852686113 1136477914 /nfs/dbraw/zinc/47/79/14/1136477914.db2.gz FYTZAHVJTFGPFM-WOJBJXKFSA-N 0 3 330.520 3.798 20 30 EHEDHN C=CC[C@@H](CO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815601380 1136617092 /nfs/dbraw/zinc/61/70/92/1136617092.db2.gz USEUVJNIAFMXMC-UYAOXDASSA-N 0 3 325.452 3.840 20 30 EHEDHN Cc1ccn(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c(=O)c1C#N ZINC000776774734 1136661445 /nfs/dbraw/zinc/66/14/45/1136661445.db2.gz MTSIJUKJWGDNJU-NRSPTQNISA-N 0 3 347.462 3.644 20 30 EHEDHN CCN1CCN(c2ccc(N[C@@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000776807894 1136687332 /nfs/dbraw/zinc/68/73/32/1136687332.db2.gz ZTFNIEJVNBPMEK-KRWDZBQOSA-N 0 3 334.467 3.873 20 30 EHEDHN CC[C@@H](Cc1ccccc1C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000819945935 1136968949 /nfs/dbraw/zinc/96/89/49/1136968949.db2.gz XJKIXHRMRJINHH-QFBILLFUSA-N 0 3 340.467 3.722 20 30 EHEDHN C#CCCCOc1cccnc1NC[C@H](c1cccs1)N(C)C ZINC000820605865 1136999768 /nfs/dbraw/zinc/99/97/68/1136999768.db2.gz VWHUUYZBWLHIHV-OAHLLOKOSA-N 0 3 329.469 3.650 20 30 EHEDHN C#CCCCOc1cccnc1NC[C@H](c1cccc(F)c1)N(C)C ZINC000820605856 1136999825 /nfs/dbraw/zinc/99/98/25/1136999825.db2.gz VVQUYJLVVOVJDI-GOSISDBHSA-N 0 3 341.430 3.728 20 30 EHEDHN N#Cc1ccc(OC2CCN(CC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822606216 1137066248 /nfs/dbraw/zinc/06/62/48/1137066248.db2.gz KXVRQMMOGLHQGN-CQSZACIVSA-N 0 3 339.266 3.985 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1)c1ccccc1 ZINC000860693324 1137073213 /nfs/dbraw/zinc/07/32/13/1137073213.db2.gz FYYLYNQZVQCHEI-XIRDDKMYSA-N 0 3 338.407 3.750 20 30 EHEDHN N#CC(C(=O)C[C@@H]1CCOc2ccccc21)c1nc2ccccc2[nH]1 ZINC000118141130 1137099379 /nfs/dbraw/zinc/09/93/79/1137099379.db2.gz KBNJEBSEHTUKCP-ZFWWWQNUSA-N 0 3 331.375 3.696 20 30 EHEDHN C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1CCOCCC#N ZINC000339044921 1137160702 /nfs/dbraw/zinc/16/07/02/1137160702.db2.gz YWNUBHZEUHJZSA-PGRDOPGGSA-N 0 3 334.463 3.995 20 30 EHEDHN CO[C@@H](CN(C)C[C@H](O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000844371052 1137213087 /nfs/dbraw/zinc/21/30/87/1137213087.db2.gz MACYRVVUJJMDKU-OALUTQOASA-N 0 3 344.842 3.565 20 30 EHEDHN CC(C)O[C@H](CN(C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844372149 1137213113 /nfs/dbraw/zinc/21/31/13/1137213113.db2.gz VNYDACBMYSWJBE-NHCUHLMSSA-N 0 3 338.451 3.690 20 30 EHEDHN CO[C@H](CN(C)C[C@H](O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000844371053 1137213338 /nfs/dbraw/zinc/21/33/38/1137213338.db2.gz MACYRVVUJJMDKU-RBUKOAKNSA-N 0 3 344.842 3.565 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000845441525 1137292179 /nfs/dbraw/zinc/29/21/79/1137292179.db2.gz QOPNVZMWIILXOH-BLLLJJGKSA-N 0 3 332.831 3.601 20 30 EHEDHN C#Cc1ccc(CN2CCC(Oc3ncnc4ccccc43)CC2)cc1 ZINC001144580535 1137310586 /nfs/dbraw/zinc/31/05/86/1137310586.db2.gz FOILQWYQEMZCGT-UHFFFAOYSA-N 0 3 343.430 3.655 20 30 EHEDHN C#Cc1ccc(CN2CCC(Oc3ccc(C#N)cc3OC)CC2)cc1 ZINC001144576163 1137311861 /nfs/dbraw/zinc/31/18/61/1137311861.db2.gz CVVYWGDPDSTDMM-UHFFFAOYSA-N 0 3 346.430 3.592 20 30 EHEDHN N#CC1(c2ccc(CNCc3cc4c([nH]c3=O)CCCC4)cc2)CC1 ZINC000865878558 1137318555 /nfs/dbraw/zinc/31/85/55/1137318555.db2.gz RVKVUXGYZMJPGO-UHFFFAOYSA-N 0 3 333.435 3.511 20 30 EHEDHN CN(Cc1ccccc1CN[C@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000846064227 1137332134 /nfs/dbraw/zinc/33/21/34/1137332134.db2.gz GEOIUCHZRFKYIS-YJBOKZPZSA-N 0 3 343.471 3.835 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@H](N[C@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000846062083 1137332200 /nfs/dbraw/zinc/33/22/00/1137332200.db2.gz XOTBSBQMLPQVOI-HYVNUMGLSA-N 0 3 341.455 3.635 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC001171221904 1137348272 /nfs/dbraw/zinc/34/82/72/1137348272.db2.gz WXDRDVPZVPFGPS-OALUTQOASA-N 0 3 333.479 3.696 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc2c([nH]c1=O)CCCC2 ZINC000866641875 1137371852 /nfs/dbraw/zinc/37/18/52/1137371852.db2.gz XOVBAUKDXKQOKX-FQEVSTJZSA-N 0 3 333.435 3.705 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cc(O)ccc1Br ZINC001172300137 1137549247 /nfs/dbraw/zinc/54/92/47/1137549247.db2.gz SBZGMNAYXUTIIJ-LBPRGKRZSA-N 0 3 345.240 3.747 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCC)c(OCCC)c1 ZINC000876553167 1137655247 /nfs/dbraw/zinc/65/52/47/1137655247.db2.gz IWMCOIKLONUCGC-AWEZNQCLSA-N 0 3 340.851 3.673 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000876557111 1137655471 /nfs/dbraw/zinc/65/54/71/1137655471.db2.gz BPYCQNJMQGCBBG-CYBMUJFWSA-N 0 3 335.860 3.835 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000876569485 1137655948 /nfs/dbraw/zinc/65/59/48/1137655948.db2.gz UPWDVMLZBDPVSC-DLBZAZTESA-N 0 3 336.863 3.609 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000876697279 1137659386 /nfs/dbraw/zinc/65/93/86/1137659386.db2.gz RMIUTAUWORWART-HZMBPMFUSA-N 0 3 348.796 3.785 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000876879801 1137664438 /nfs/dbraw/zinc/66/44/38/1137664438.db2.gz COPAYICBPZTLTI-OAHLLOKOSA-N 0 3 327.255 3.516 20 30 EHEDHN N#Cc1cccc(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000877390752 1137675174 /nfs/dbraw/zinc/67/51/74/1137675174.db2.gz UJSQDBNEQNHUML-CQSZACIVSA-N 0 3 331.341 3.962 20 30 EHEDHN Cc1ccccc1[C@H]([C@@H](C)NCc1cc(C#N)cnc1Cl)N(C)C ZINC000877464904 1137677114 /nfs/dbraw/zinc/67/71/14/1137677114.db2.gz OSHAZFNGWSRGQT-KDOFPFPSSA-N 0 3 342.874 3.696 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CSc3ccccc3O2)c1 ZINC000877604364 1137682747 /nfs/dbraw/zinc/68/27/47/1137682747.db2.gz LKGPHMFIFVPARN-CQSZACIVSA-N 0 3 345.855 3.640 20 30 EHEDHN N#Cc1ccccc1N1CCC(NCc2ccnc(Cl)c2F)CC1 ZINC000877682270 1137685766 /nfs/dbraw/zinc/68/57/66/1137685766.db2.gz IEBWPAKGBVLTBK-UHFFFAOYSA-N 0 3 344.821 3.504 20 30 EHEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccccc1OC(C)C)C2 ZINC001137138334 1137729731 /nfs/dbraw/zinc/72/97/31/1137729731.db2.gz XLYFITWALAZKCK-TZIWHRDSSA-N 0 3 345.483 3.800 20 30 EHEDHN Cc1cccc(C(=O)NC2CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000879348523 1137745111 /nfs/dbraw/zinc/74/51/11/1137745111.db2.gz AVTMKVQOBGKCBI-QGZVFWFLSA-N 0 3 347.462 3.822 20 30 EHEDHN COC[C@@H](NCCC(C)(C)C#N)c1cccc(Br)c1 ZINC000879663221 1137754196 /nfs/dbraw/zinc/75/41/96/1137754196.db2.gz VTTRWBUZIBBESH-CQSZACIVSA-N 0 3 325.250 3.666 20 30 EHEDHN C[C@@H](CC1CCCCC1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000114617845 1137784814 /nfs/dbraw/zinc/78/48/14/1137784814.db2.gz OHNULBBJIKALFB-YJBOKZPZSA-N 0 3 326.440 3.618 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCSC)cc1 ZINC000131039671 1137845347 /nfs/dbraw/zinc/84/53/47/1137845347.db2.gz KGCDITUTMYZMQA-XJKSGUPXSA-N 0 3 332.469 3.991 20 30 EHEDHN N#CC1(c2ccc(CN[C@H](Cn3ccnc3)c3ccccc3)cc2)CC1 ZINC000883397847 1137859711 /nfs/dbraw/zinc/85/97/11/1137859711.db2.gz XJPHNCFYHDRJFI-OAQYLSRUSA-N 0 3 342.446 3.969 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)ccc2Cl)CC1 ZINC000106325615 1137883335 /nfs/dbraw/zinc/88/33/35/1137883335.db2.gz ISSUDIOMGSWBPB-UHFFFAOYSA-N 0 3 325.815 3.641 20 30 EHEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc3c(c1)oc1ccccc13)C2 ZINC000884092552 1137906370 /nfs/dbraw/zinc/90/63/70/1137906370.db2.gz IGKSPNAECNFZES-GJGORFQUSA-N 0 3 345.402 3.664 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc(-n3cccn3)c2)c1 ZINC000133967232 1137929307 /nfs/dbraw/zinc/92/93/07/1137929307.db2.gz CRLXFLNHGPETRF-FQEVSTJZSA-N 0 3 346.434 3.843 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000118393375 1137933545 /nfs/dbraw/zinc/93/35/45/1137933545.db2.gz OODOUKGYDBYDHF-AWEZNQCLSA-N 0 3 329.444 3.608 20 30 EHEDHN C#CCN(C(=O)c1ccc(C(C)C)c(Cl)c1)C1CCN(C)CC1 ZINC000886577390 1138098663 /nfs/dbraw/zinc/09/86/63/1138098663.db2.gz GVLGJMXMXWQUNR-UHFFFAOYSA-N 0 3 332.875 3.633 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2OC(C)C)CC1 ZINC000264337827 1138480837 /nfs/dbraw/zinc/48/08/37/1138480837.db2.gz BCDOYUYUZVRSFN-UHFFFAOYSA-N 0 3 331.460 3.636 20 30 EHEDHN CCCN(C(=O)CCCCC#N)C1CCN(Cc2ccccc2)CC1 ZINC000889488044 1139217598 /nfs/dbraw/zinc/21/75/98/1139217598.db2.gz CDRJXIAHZIETNC-UHFFFAOYSA-N 0 3 341.499 3.974 20 30 EHEDHN C#CCCCC(=O)N(CCC)C1CCN(Cc2ccccc2)CC1 ZINC000889489332 1139218419 /nfs/dbraw/zinc/21/84/19/1139218419.db2.gz FRAYERKVCUCZGC-UHFFFAOYSA-N 0 3 326.484 3.693 20 30 EHEDHN CCN(CC)C(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000173908310 1139386317 /nfs/dbraw/zinc/38/63/17/1139386317.db2.gz WEFMXZUXIFCIFM-MRXNPFEDSA-N 0 3 335.451 3.891 20 30 EHEDHN CCCN(CCCC(C)(C)C#N)CC(=O)Nc1ccccc1OC ZINC000174809132 1139443881 /nfs/dbraw/zinc/44/38/81/1139443881.db2.gz QLSSLUMPDLIIEA-UHFFFAOYSA-N 0 3 331.460 3.676 20 30 EHEDHN C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000181302447 1139899592 /nfs/dbraw/zinc/89/95/92/1139899592.db2.gz DTMDXTSRDUCTQL-CQSZACIVSA-N 0 3 338.411 3.683 20 30 EHEDHN C[C@@H](NCc1ccc2c(c1)OCCCO2)c1ccc(OCC#N)cc1 ZINC000181670591 1139923786 /nfs/dbraw/zinc/92/37/86/1139923786.db2.gz LKXZIEIWSNJOLM-OAHLLOKOSA-N 0 3 338.407 3.601 20 30 EHEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2)o1 ZINC000185204466 1140140237 /nfs/dbraw/zinc/14/02/37/1140140237.db2.gz KSEMLOQEXAOYOL-LBPRGKRZSA-N 0 3 335.329 3.539 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCCN(c2ccccc2C#N)CC1 ZINC000187730834 1140268971 /nfs/dbraw/zinc/26/89/71/1140268971.db2.gz CBPDXLQZUAQWJI-KRWDZBQOSA-N 0 3 330.435 3.703 20 30 EHEDHN C=CCc1cc(CN2CCC([C@@H]3CCCO3)CC2)cc(OC)c1O ZINC000188246105 1140288843 /nfs/dbraw/zinc/28/88/43/1140288843.db2.gz SBDZWYIWXAYMKJ-SFHVURJKSA-N 0 3 331.456 3.520 20 30 EHEDHN COc1ccc([C@@H](N[C@H](C)C(=O)Nc2cccc(C#N)c2)C2CC2)cc1 ZINC000193347207 1140572955 /nfs/dbraw/zinc/57/29/55/1140572955.db2.gz FBEDFXJGWXJPAL-VLIAUNLRSA-N 0 3 349.434 3.635 20 30 EHEDHN CCOCCOCc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000266517937 1140698105 /nfs/dbraw/zinc/69/81/05/1140698105.db2.gz ZEFSWSHJLIIOFC-KRWDZBQOSA-N 0 3 338.451 3.962 20 30 EHEDHN C=CCC[C@H](CC)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000269045950 1141054628 /nfs/dbraw/zinc/05/46/28/1141054628.db2.gz HLKVPAUHJCQPHN-INIZCTEOSA-N 0 3 343.496 3.908 20 30 EHEDHN N#Cc1ccc(CNCCc2nc(C(F)(F)F)cs2)c(F)c1 ZINC000269433124 1141107823 /nfs/dbraw/zinc/10/78/23/1141107823.db2.gz QEAFRBYVZGYZGW-UHFFFAOYSA-N 0 3 329.322 3.505 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000271494167 1141379880 /nfs/dbraw/zinc/37/98/80/1141379880.db2.gz PIJMIVAFOTVETJ-OWWKKJFISA-N 0 3 342.464 3.738 20 30 EHEDHN N#CCOc1ccc(CNCc2ccc(Br)s2)cc1 ZINC000037985183 526475135 /nfs/dbraw/zinc/47/51/35/526475135.db2.gz CKGRXACCRKSCLB-UHFFFAOYSA-N 0 3 337.242 3.703 20 30 EHEDHN COc1cc(OC)cc(C(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080456264 1032066671 /nfs/dbraw/zinc/06/66/71/1032066671.db2.gz PFXUNZPDFQDNJH-AWEZNQCLSA-N 0 3 330.409 3.774 20 30 EHEDHN CC[C@@](C)(C#N)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000579751277 1014368115 /nfs/dbraw/zinc/36/81/15/1014368115.db2.gz GWKHVSZAPUQWEW-QUCCMNQESA-N 0 3 329.488 3.544 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CCC(C)(C)CO3)nc21 ZINC000892705104 1016927526 /nfs/dbraw/zinc/92/75/26/1016927526.db2.gz OIWDBQBTTARXLQ-UONOGXRCSA-N 0 3 325.412 3.643 20 30 EHEDHN N#CCc1ccc(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000343756874 1032212650 /nfs/dbraw/zinc/21/26/50/1032212650.db2.gz FSAHTQYUIPXBLN-LJQANCHMSA-N 0 3 343.434 3.875 20 30 EHEDHN N#CCc1ccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000343756874 1032212667 /nfs/dbraw/zinc/21/26/67/1032212667.db2.gz FSAHTQYUIPXBLN-LJQANCHMSA-N 0 3 343.434 3.875 20 30 EHEDHN N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000343756874 1032212678 /nfs/dbraw/zinc/21/26/78/1032212678.db2.gz FSAHTQYUIPXBLN-LJQANCHMSA-N 0 3 343.434 3.875 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000538208171 1032229326 /nfs/dbraw/zinc/22/93/26/1032229326.db2.gz OJEQLSIHFBYHKA-INIZCTEOSA-N 0 3 343.515 3.817 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000538319614 1032292470 /nfs/dbraw/zinc/29/24/70/1032292470.db2.gz ACVROFOBAALZCZ-HNAYVOBHSA-N 0 3 330.447 3.764 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000538328309 1032300005 /nfs/dbraw/zinc/30/00/05/1032300005.db2.gz PZIQPLPKPNQJAK-SFHVURJKSA-N 0 3 343.515 3.692 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000248714024 1032379166 /nfs/dbraw/zinc/37/91/66/1032379166.db2.gz BQBSWOPPEOMBTI-IIAWOOMASA-N 0 3 331.847 3.507 20 30 EHEDHN CCOc1cc(C[NH2+]CC(C)(C)CC#N)cc(Br)c1[O-] ZINC000459684202 1032415577 /nfs/dbraw/zinc/41/55/77/1032415577.db2.gz BQRZGVZXOOECLY-UHFFFAOYSA-N 0 3 341.249 3.583 20 30 EHEDHN N#Cc1csc(CN[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000592372235 1032670827 /nfs/dbraw/zinc/67/08/27/1032670827.db2.gz PEGAAKWTIJBNAE-NSHDSACASA-N 0 3 342.855 3.797 20 30 EHEDHN CCc1cc(C#N)c(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)s1 ZINC000593036896 1032671931 /nfs/dbraw/zinc/67/19/31/1032671931.db2.gz JMUNTQAZDVTNBV-JQWIXIFHSA-N 0 3 346.374 3.868 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593039860 1032676566 /nfs/dbraw/zinc/67/65/66/1032676566.db2.gz GUWFHOYPJKFXCO-QWHCGFSZSA-N 0 3 326.318 3.553 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1NCc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000449520855 1032712417 /nfs/dbraw/zinc/71/24/17/1032712417.db2.gz QUVKAHMKEJGGSS-MOPGFXCFSA-N 0 3 339.483 3.662 20 30 EHEDHN Cn1cc(CN[C@H]2CCc3c2ccc(F)c3Br)cc1C#N ZINC000449548033 1032770796 /nfs/dbraw/zinc/77/07/96/1032770796.db2.gz KWKBGCQQKULWIE-HNNXBMFYSA-N 0 3 348.219 3.575 20 30 EHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000510319103 1018639496 /nfs/dbraw/zinc/63/94/96/1018639496.db2.gz AHTYHQCIODASQZ-GOSISDBHSA-N 0 3 341.499 3.807 20 30 EHEDHN N#Cc1cccc(COc2cccc(CN[C@H]3C[C@@H]3C(F)F)c2)c1 ZINC000580622007 1019756043 /nfs/dbraw/zinc/75/60/43/1019756043.db2.gz JSSCLSMZLKPZTR-ROUUACIJSA-N 0 3 328.362 3.880 20 30 EHEDHN COCCc1ncc(CN2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC000897588466 1032857950 /nfs/dbraw/zinc/85/79/50/1032857950.db2.gz CSTLHWUIWMIUPC-UHFFFAOYSA-N 0 3 341.480 3.583 20 30 EHEDHN C[C@@H](c1ccccc1)N(CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCC1 ZINC000077372370 1019917884 /nfs/dbraw/zinc/91/78/84/1019917884.db2.gz FRZMOUPCXADZFP-KKSFZXQISA-N 0 3 339.483 3.658 20 30 EHEDHN C=C(C)[C@@H](CC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21)OCC ZINC000280083374 1020043819 /nfs/dbraw/zinc/04/38/19/1020043819.db2.gz VYWIMGACDGFYEO-YSIASYRMSA-N 0 3 342.483 3.501 20 30 EHEDHN CCCOc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)c(C)c1 ZINC000897599405 1032905285 /nfs/dbraw/zinc/90/52/85/1032905285.db2.gz JSWFZQZSHAEGEL-UHFFFAOYSA-N 0 3 329.440 3.622 20 30 EHEDHN Cc1cc(CN2CCC3(CC2)CC(=O)C=CO3)ccc1C(F)(F)F ZINC000897599567 1032905703 /nfs/dbraw/zinc/90/57/03/1032905703.db2.gz QMZJGZITUNCZNZ-UHFFFAOYSA-N 0 3 339.357 3.852 20 30 EHEDHN C=CCOc1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000093841976 1032910749 /nfs/dbraw/zinc/91/07/49/1032910749.db2.gz UCRDLZSHEJPTMC-NRFANRHFSA-N 0 3 345.483 3.802 20 30 EHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCC1 ZINC000933298219 1021035816 /nfs/dbraw/zinc/03/58/16/1021035816.db2.gz BWOVQYXBRXUEAT-NSHDSACASA-N 0 3 325.239 3.856 20 30 EHEDHN CC[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000341185432 1021056176 /nfs/dbraw/zinc/05/61/76/1021056176.db2.gz ASUHLMHVHZPKSJ-QANKJYHBSA-N 0 3 335.879 3.824 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@@H](C)CC2(C#N)CCOCC2)cc1[N+](=O)[O-] ZINC000602562097 1032975284 /nfs/dbraw/zinc/97/52/84/1032975284.db2.gz HAKNFQIEJHHBKF-LSDHHAIUSA-N 0 3 331.416 3.653 20 30 EHEDHN Cc1ccc([C@H](C)N[C@H](C)CC2(C#N)CCOCC2)cc1[N+](=O)[O-] ZINC000602561846 1032976261 /nfs/dbraw/zinc/97/62/61/1032976261.db2.gz HAKNFQIEJHHBKF-CABCVRRESA-N 0 3 331.416 3.653 20 30 EHEDHN CC(C)(C)[C@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729475475 1021478602 /nfs/dbraw/zinc/47/86/02/1021478602.db2.gz VQHZCBKAFYCDDQ-CXAGYDPISA-N 0 3 341.480 3.983 20 30 EHEDHN C[C@H](NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000437092919 1021546148 /nfs/dbraw/zinc/54/61/48/1021546148.db2.gz FXCHSQXNARTXSV-NORZTCDRSA-N 0 3 344.352 3.832 20 30 EHEDHN C#C[C@@H](NC1CC(CF)(CF)C1)c1ccc(Br)cc1 ZINC000894871469 1021547389 /nfs/dbraw/zinc/54/73/89/1021547389.db2.gz VLJJYPXCLRVSKV-CQSZACIVSA-N 0 3 328.200 3.801 20 30 EHEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000441339033 1022158824 /nfs/dbraw/zinc/15/88/24/1022158824.db2.gz HAGGVFMENHSAJX-FPOVZHCZSA-N 0 3 343.515 3.693 20 30 EHEDHN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(CN1CCC[C@](C)(C#N)C1)C2 ZINC000894446966 1022295001 /nfs/dbraw/zinc/29/50/01/1022295001.db2.gz ZJQMHSSGMFBIDZ-KVMCETHSSA-N 0 3 347.503 3.790 20 30 EHEDHN CO[C@@H](C)CN(CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000438070925 1022352384 /nfs/dbraw/zinc/35/23/84/1022352384.db2.gz XZSHWSIOEXGVPX-AWEZNQCLSA-N 0 3 329.362 3.682 20 30 EHEDHN Cc1cc(C)c(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c(=O)[nH]1 ZINC000328903979 1022521584 /nfs/dbraw/zinc/52/15/84/1022521584.db2.gz IQYXLQXGGASFFX-NVXWUHKLSA-N 0 3 339.439 3.544 20 30 EHEDHN CN1C[C@H](NC(=O)CCC(=O)NC2CCCC2)[C@H](c2ccccc2)C1 ZINC000328998965 1022563435 /nfs/dbraw/zinc/56/34/35/1022563435.db2.gz GFMZCJGMVOBAOW-ROUUACIJSA-N 0 3 343.471 3.720 20 30 EHEDHN CN(c1nc(Cl)c(C#N)s1)C1CCN(Cc2ccccc2)CC1 ZINC000287256246 1022685590 /nfs/dbraw/zinc/68/55/90/1022685590.db2.gz JZCOHZHNKDENNB-UHFFFAOYSA-N 0 3 346.887 3.769 20 30 EHEDHN CC(C)(C)[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000506995810 1023069720 /nfs/dbraw/zinc/06/97/20/1023069720.db2.gz WMQQCFIBIRMBKT-HXUWFJFHSA-N 0 3 335.451 3.551 20 30 EHEDHN CC[C@H](O)[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427005339 1023162189 /nfs/dbraw/zinc/16/21/89/1023162189.db2.gz RAFARHISKVSYAL-SJORKVTESA-N 0 3 325.374 3.682 20 30 EHEDHN Cc1c(C#N)cccc1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000337949043 1023325077 /nfs/dbraw/zinc/32/50/77/1023325077.db2.gz ZZBSLSHJZBCDLX-QGZVFWFLSA-N 0 3 347.462 3.603 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000187663683 1023398183 /nfs/dbraw/zinc/39/81/83/1023398183.db2.gz HYKXXGHDHWNUBH-MRXNPFEDSA-N 0 3 339.483 3.780 20 30 EHEDHN CCCN(C)[C@H](CNC(=O)CCCCC#N)c1ccc(Cl)cc1 ZINC000594025898 1033139442 /nfs/dbraw/zinc/13/94/42/1033139442.db2.gz AQSCHEWMKSKXSC-QGZVFWFLSA-N 0 3 335.879 3.923 20 30 EHEDHN C=CCc1cc(CN2CC[C@@H](Nc3ccccc3)C2)cc(OC)c1O ZINC000092757840 1023651991 /nfs/dbraw/zinc/65/19/91/1023651991.db2.gz MHYAPCKAKFUOFI-LJQANCHMSA-N 0 3 338.451 3.816 20 30 EHEDHN CC(C)[C@H](CN1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000474109397 1024244387 /nfs/dbraw/zinc/24/43/87/1024244387.db2.gz BMNQDMPRWGUNFD-FQEVSTJZSA-N 0 3 334.467 3.515 20 30 EHEDHN Cc1ccccc1-n1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)cn1 ZINC000329959551 1024265672 /nfs/dbraw/zinc/26/56/72/1024265672.db2.gz QRAXMCVVXARURZ-SFHVURJKSA-N 0 3 338.455 3.502 20 30 EHEDHN N#CC(C(=O)C=Cc1cccnc1)c1nc2ccccc2n1C(F)F ZINC000178987683 1024269475 /nfs/dbraw/zinc/26/94/75/1024269475.db2.gz GMKNRYGFQWLBCA-GWJCSSMESA-N 0 3 338.317 3.716 20 30 EHEDHN COc1cccc2c1nc(NC(=O)[C@@H]1CCCN1C1CCCC1)n2C ZINC000329995521 1024279686 /nfs/dbraw/zinc/27/96/86/1024279686.db2.gz NHOMGFKQOGASSQ-HNNXBMFYSA-N 0 3 342.443 3.577 20 30 EHEDHN Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@H]2CCCN2C2CC2)cc1 ZINC000330208767 1024355816 /nfs/dbraw/zinc/35/58/16/1024355816.db2.gz BHJXAYIKBXJVLQ-IFXJQAMLSA-N 0 3 338.455 3.825 20 30 EHEDHN FC(F)C(F)(F)COCCNCc1ccc(C(F)(F)F)s1 ZINC000434784152 1024422460 /nfs/dbraw/zinc/42/24/60/1024422460.db2.gz JCSGKFQNEZIAFL-UHFFFAOYSA-N 0 3 339.276 3.774 20 30 EHEDHN C[C@H](NCc1ccc(F)c(CN(C)C)c1)c1ccc(C#N)c(F)c1 ZINC000346131202 1024434868 /nfs/dbraw/zinc/43/48/68/1024434868.db2.gz NCNWVCCPJXOEHI-ZDUSSCGKSA-N 0 3 329.394 3.749 20 30 EHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(C#N)cc1C ZINC000280972224 1024509974 /nfs/dbraw/zinc/50/99/74/1024509974.db2.gz IDMVSSSTQPZXHF-TZIWHRDSSA-N 0 3 345.446 3.623 20 30 EHEDHN C#CCC1(O)CCN(Cc2cnc(-c3ccc(C)c(C)c3)s2)CC1 ZINC000895670605 1024717770 /nfs/dbraw/zinc/71/77/70/1024717770.db2.gz NNJUBYHKSODRKU-UHFFFAOYSA-N 0 3 340.492 3.777 20 30 EHEDHN C=CCC1(O)CCN(Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000895835723 1024902601 /nfs/dbraw/zinc/90/26/01/1024902601.db2.gz MUSFNNNBPZNPPK-UHFFFAOYSA-N 0 3 331.485 3.520 20 30 EHEDHN CN(C)[C@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccc(F)cc1 ZINC000126920696 1025184180 /nfs/dbraw/zinc/18/41/80/1025184180.db2.gz KMPOGABCMLDBLM-VVJWVBNBSA-N 0 3 337.398 3.801 20 30 EHEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000897990917 1033283641 /nfs/dbraw/zinc/28/36/41/1033283641.db2.gz GXTSBRALWWTSSJ-UZLBHIALSA-N 0 3 335.451 3.596 20 30 EHEDHN N#C[C@@H]1CC[C@H](NCc2cccc(NC(=O)c3ccc(F)cc3)c2)C1 ZINC000442720192 1025453183 /nfs/dbraw/zinc/45/31/83/1025453183.db2.gz SPOWBJHUUBRIJA-KDOFPFPSSA-N 0 3 337.398 3.860 20 30 EHEDHN C=CCOc1ccc(CN[C@H]2CCCN(C3CCCCC3)C2=O)cc1 ZINC000442999428 1025640400 /nfs/dbraw/zinc/64/04/00/1025640400.db2.gz GSCYXMXCPYDSNX-FQEVSTJZSA-N 0 3 342.483 3.665 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COc1ccccc1Cl ZINC000425532426 1025659745 /nfs/dbraw/zinc/65/97/45/1025659745.db2.gz BPRLNYLBALVTAN-RHSMWYFYSA-N 0 3 344.842 3.644 20 30 EHEDHN N#Cc1ccc(N2CCN(c3ccnc4ccccc43)CC2)c(F)c1 ZINC000521930888 1025792170 /nfs/dbraw/zinc/79/21/70/1025792170.db2.gz DDBWOLIMGGOKDU-UHFFFAOYSA-N 0 3 332.382 3.572 20 30 EHEDHN Cc1cc(N2CCCCCC2)ccc1NC([O-])=[NH+][C@@H]1C[C@@H](O)C1(C)C ZINC000329444435 1025857024 /nfs/dbraw/zinc/85/70/24/1025857024.db2.gz NNTIZFMXCBWJCI-QZTJIDSGSA-N 0 3 345.487 3.861 20 30 EHEDHN CN(C)Cc1ccc(-c2noc(/C=C/c3cccc(C#N)c3)n2)cc1 ZINC000530872893 1026374226 /nfs/dbraw/zinc/37/42/26/1026374226.db2.gz RRMKVLRLXHBAJJ-DHZHZOJOSA-N 0 3 330.391 3.840 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000186268979 1026393217 /nfs/dbraw/zinc/39/32/17/1026393217.db2.gz PDFHVKFZPGDWFU-UHFFFAOYSA-N 0 3 348.450 3.653 20 30 EHEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(C)C ZINC000342627210 1026512629 /nfs/dbraw/zinc/51/26/29/1026512629.db2.gz BWIIUUFFTGARCA-UHFFFAOYSA-N 0 3 338.455 3.635 20 30 EHEDHN C=CCC[C@H](CCC)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000475430691 1026612827 /nfs/dbraw/zinc/61/28/27/1026612827.db2.gz VDKYNGBVNLQOIK-GJZGRUSLSA-N 0 3 339.277 3.700 20 30 EHEDHN N#CCc1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000342702584 1026769683 /nfs/dbraw/zinc/76/96/83/1026769683.db2.gz ZDWRWEKIESEJHZ-GOSISDBHSA-N 0 3 326.465 3.995 20 30 EHEDHN CCOc1ccc(N(CCC#N)C(=O)CN(CC)C2CCCC2)cc1 ZINC000047966518 1027140909 /nfs/dbraw/zinc/14/09/09/1027140909.db2.gz KICZSCDMUSKQNG-UHFFFAOYSA-N 0 3 343.471 3.596 20 30 EHEDHN C#Cc1cccc(NC(=O)CN(C)c2ccnc3ccc(C)cc32)c1 ZINC000302628185 1027215158 /nfs/dbraw/zinc/21/51/58/1027215158.db2.gz FYBINFIEABDUDT-UHFFFAOYSA-N 0 3 329.403 3.599 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000501390773 1027243778 /nfs/dbraw/zinc/24/37/78/1027243778.db2.gz UJYBERXOQSTHDO-GOSISDBHSA-N 0 3 326.484 3.530 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000502188818 1027930683 /nfs/dbraw/zinc/93/06/83/1027930683.db2.gz QDQSFJKIPHBNEC-QGZVFWFLSA-N 0 3 329.488 3.704 20 30 EHEDHN CCc1ccccc1NC(=O)C[C@H](C)NCc1ccc(C#N)s1 ZINC000421346780 1028291299 /nfs/dbraw/zinc/29/12/99/1028291299.db2.gz AOVWAAQEETWKRR-ZDUSSCGKSA-N 0 3 327.453 3.689 20 30 EHEDHN Cc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)s2)c(C)c1 ZINC000421356113 1028343282 /nfs/dbraw/zinc/34/32/82/1028343282.db2.gz WBHDOKJTYAHZBQ-CQSZACIVSA-N 0 3 327.453 3.744 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000079941744 1028431436 /nfs/dbraw/zinc/43/14/36/1028431436.db2.gz BMXAAVXUPNJLLX-KSSFIOAISA-N 0 3 335.879 3.635 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)Cc2ccccc2C)CC1 ZINC000445074586 1028523426 /nfs/dbraw/zinc/52/34/26/1028523426.db2.gz JYPMOXWVRUSSPA-SFHVURJKSA-N 0 3 343.515 3.608 20 30 EHEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000583028501 1028586656 /nfs/dbraw/zinc/58/66/56/1028586656.db2.gz PROXASHEQGNASM-WTOJCKNJSA-N 0 3 337.379 3.509 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000424102686 1028786929 /nfs/dbraw/zinc/78/69/29/1028786929.db2.gz PGMQTIJVIREHPO-JKSUJKDBSA-N 0 3 347.871 3.628 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000245872243 1029405134 /nfs/dbraw/zinc/40/51/34/1029405134.db2.gz WOYRQKKWFJRRNU-HBGVWJBISA-N 0 3 336.435 3.987 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000505356515 1029488986 /nfs/dbraw/zinc/48/89/86/1029488986.db2.gz XHKKDQKSAHNJSW-KRWDZBQOSA-N 0 3 336.426 3.568 20 30 EHEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000192500377 1029714485 /nfs/dbraw/zinc/71/44/85/1029714485.db2.gz BOZWSSQZHZJLCX-LJQANCHMSA-N 0 3 339.826 3.891 20 30 EHEDHN COC(=O)c1cccc(CN2CC[C@H](c3ccccc3)[C@H]2C)c1C#N ZINC000533758075 1029787869 /nfs/dbraw/zinc/78/78/69/1029787869.db2.gz GNTMGTMGWGPFOU-QAPCUYQASA-N 0 3 334.419 3.723 20 30 EHEDHN C=CCC[C@@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000272885082 1029822205 /nfs/dbraw/zinc/82/22/05/1029822205.db2.gz YNNWVPDTYBKDCM-VQIMIIECSA-N 0 3 327.472 3.644 20 30 EHEDHN CC[C@H](NCc1cc(OC)c(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000278274377 1029884151 /nfs/dbraw/zinc/88/41/51/1029884151.db2.gz PIUPTYFPAYQMLR-KRWDZBQOSA-N 0 3 340.423 3.825 20 30 EHEDHN Cc1cc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000453195360 1029893044 /nfs/dbraw/zinc/89/30/44/1029893044.db2.gz JQVPJZGXZQGDCN-RDTXWAMCSA-N 0 3 339.464 3.774 20 30 EHEDHN C=CCN(C)CCN(CC)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000429710524 1029903225 /nfs/dbraw/zinc/90/32/25/1029903225.db2.gz XDMWWTWYBFTIMW-UHFFFAOYSA-N 0 3 345.512 3.758 20 30 EHEDHN CCCCN(CC(=O)NC1(C#N)CCC1)[C@@H](CC)c1ccccc1 ZINC000525886569 1030205534 /nfs/dbraw/zinc/20/55/34/1030205534.db2.gz WYAVXCHYMGAOMN-SFHVURJKSA-N 0 3 327.472 3.802 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447770205 1030472719 /nfs/dbraw/zinc/47/27/19/1030472719.db2.gz RTRZCQJPMSJRFI-SFHVURJKSA-N 0 3 327.472 3.606 20 30 EHEDHN C=CCOc1ccc(CN(C)[C@H](CCO)c2ccccc2)cc1OC ZINC000093442595 1030612462 /nfs/dbraw/zinc/61/24/62/1030612462.db2.gz AKNLGOBFLUTRGC-LJQANCHMSA-N 0 3 341.451 3.816 20 30 EHEDHN Cc1cc(C)c(C#N)c(SCCN(C)Cc2ccc(F)cc2)n1 ZINC000612998522 1030622064 /nfs/dbraw/zinc/62/20/64/1030622064.db2.gz FPYSTKKBDJKZCA-UHFFFAOYSA-N 0 3 329.444 3.933 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448030339 1030686964 /nfs/dbraw/zinc/68/69/64/1030686964.db2.gz LMASYADMRVUZKW-INIZCTEOSA-N 0 3 335.517 3.566 20 30 EHEDHN C[C@@H]1[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCCN1C ZINC000343426625 1030829963 /nfs/dbraw/zinc/82/99/63/1030829963.db2.gz DIIOWOWYWMVIJJ-FOIQADDNSA-N 0 3 349.434 3.563 20 30 EHEDHN Cc1cccc2c1ncc(C#N)c2NC[C@@H](c1ccco1)N1CCCC1 ZINC000610211256 1030839949 /nfs/dbraw/zinc/83/99/49/1030839949.db2.gz HTEHFKMYOCYCNO-SFHVURJKSA-N 0 3 346.434 3.679 20 30 EHEDHN COc1ccc([C@H](CNc2nccc(C)c2C#N)N2CCCC2)cc1 ZINC000343483475 1031086415 /nfs/dbraw/zinc/08/64/15/1031086415.db2.gz XQMZKPXKOFJAFK-IBGZPJMESA-N 0 3 336.439 3.519 20 30 EHEDHN C=C(C)COCCN[C@H]1CCCOc2cc(Br)ccc21 ZINC000163514384 1031502314 /nfs/dbraw/zinc/50/23/14/1031502314.db2.gz YJRRFORCNZKBCB-HNNXBMFYSA-N 0 3 340.261 3.845 20 30 EHEDHN Cn1cc([C@@H](NCCCCC(C)(C)C#N)c2ccc(F)cc2)cn1 ZINC000278590348 1031543343 /nfs/dbraw/zinc/54/33/43/1031543343.db2.gz DHESPODDPFHFKM-SFHVURJKSA-N 0 3 328.435 3.958 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@H](CC)c1ccncc1 ZINC000179705573 1031771315 /nfs/dbraw/zinc/77/13/15/1031771315.db2.gz AIRYELFWNIOBQK-VQTJNVASSA-N 0 3 340.467 3.633 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000179803577 1031811029 /nfs/dbraw/zinc/81/10/29/1031811029.db2.gz RZWYCPZCVUKMFN-INIZCTEOSA-N 0 3 334.419 3.972 20 30 EHEDHN C=CCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC1CCCCC1 ZINC000484693955 1031886886 /nfs/dbraw/zinc/88/68/86/1031886886.db2.gz JGYKDSXYMCJFJL-MRXNPFEDSA-N 0 3 346.437 3.856 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000181352480 1031976165 /nfs/dbraw/zinc/97/61/65/1031976165.db2.gz OPHGHUSJJVWIIQ-LPHOPBHVSA-N 0 3 327.472 3.516 20 30 EHEDHN N#Cc1ccc(OC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000158016213 1033315964 /nfs/dbraw/zinc/31/59/64/1033315964.db2.gz ASQWRJDSFABCLA-QGZVFWFLSA-N 0 3 338.382 3.515 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594432592 1033368491 /nfs/dbraw/zinc/36/84/91/1033368491.db2.gz DNANUXJFEKIZHY-JJRVBVJISA-N 0 3 335.879 3.702 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000594432543 1033369736 /nfs/dbraw/zinc/36/97/36/1033369736.db2.gz CPSKKXAAPBGGSN-RTWAWAEBSA-N 0 3 349.478 3.540 20 30 EHEDHN Cc1ccc(-c2nc(NC(=O)[C@@H](N)CCCCC#N)sc2C)s1 ZINC000594434830 1033372396 /nfs/dbraw/zinc/37/23/96/1033372396.db2.gz UQSUBPMGLXLDOF-LBPRGKRZSA-N 0 3 348.497 3.838 20 30 EHEDHN CC1(C)CCc2ccccc2[C@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594456904 1033382156 /nfs/dbraw/zinc/38/21/56/1033382156.db2.gz UYRDGDNNYWVLTO-ZWKOTPCHSA-N 0 3 327.472 3.618 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000594426236 1033388973 /nfs/dbraw/zinc/38/89/73/1033388973.db2.gz CBAUZJXGJDNMKF-MRXNPFEDSA-N 0 3 338.411 3.569 20 30 EHEDHN CC(C)(C#N)c1ccc(CNCc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000594498196 1033399240 /nfs/dbraw/zinc/39/92/40/1033399240.db2.gz ODPJMDQELLXTLM-UHFFFAOYSA-N 0 3 349.413 3.702 20 30 EHEDHN CC(C)(C#N)c1ccc(C[NH2+]Cc2nnc(-c3ccc(F)cc3)[n-]2)cc1 ZINC000594498196 1033399253 /nfs/dbraw/zinc/39/92/53/1033399253.db2.gz ODPJMDQELLXTLM-UHFFFAOYSA-N 0 3 349.413 3.702 20 30 EHEDHN C[C@H]1C[C@H](NCc2ccc(C3(C#N)CC3)cc2)C(=O)N1c1ccccc1 ZINC000594929596 1033552408 /nfs/dbraw/zinc/55/24/08/1033552408.db2.gz KXKXZKSHXYKARE-JXFKEZNVSA-N 0 3 345.446 3.525 20 30 EHEDHN N#Cc1cccc(CNCc2cccc(COC[C@@H]3CCCO3)c2)c1 ZINC000594999481 1033626494 /nfs/dbraw/zinc/62/64/94/1033626494.db2.gz SXGPCAAZXNQSEK-NRFANRHFSA-N 0 3 336.435 3.544 20 30 EHEDHN N#CC(C(=O)C[C@@H]1CCc2sccc2C1=O)c1nc2ccccc2[nH]1 ZINC000892420907 1033821712 /nfs/dbraw/zinc/82/17/12/1033821712.db2.gz ZXWWPBXSZMHVLJ-AAEUAGOBSA-N 0 3 349.415 3.636 20 30 EHEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC1CCCC1 ZINC000064020499 1033948147 /nfs/dbraw/zinc/94/81/47/1033948147.db2.gz SOVWMGAGGRWILS-LBPRGKRZSA-N 0 3 331.485 3.557 20 30 EHEDHN N#CCSc1ccccc1NC(=O)CN(CCC1CC1)CC1CC1 ZINC000595870996 1034031777 /nfs/dbraw/zinc/03/17/77/1034031777.db2.gz IZVDPGRBXNAPQY-UHFFFAOYSA-N 0 3 343.496 3.753 20 30 EHEDHN COc1ccc(CN(C)C)cc1NC(=O)CC1(C#N)CCCCC1 ZINC000596782114 1034393149 /nfs/dbraw/zinc/39/31/49/1034393149.db2.gz GBQAIEUTWJCKKK-UHFFFAOYSA-N 0 3 329.444 3.559 20 30 EHEDHN N#CC1(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCCCC1 ZINC000596787278 1034394273 /nfs/dbraw/zinc/39/42/73/1034394273.db2.gz ARNVEDAZINFRGE-IBGZPJMESA-N 0 3 339.483 3.631 20 30 EHEDHN N#CC1(c2ccc(CN(Cc3ccc(C(N)=O)cc3)C3CC3)cc2)CC1 ZINC000596980712 1034479273 /nfs/dbraw/zinc/47/92/73/1034479273.db2.gz ASJRSPHOZQMLQS-UHFFFAOYSA-N 0 3 345.446 3.505 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000255830269 1034489473 /nfs/dbraw/zinc/48/94/73/1034489473.db2.gz QCULCOXCOCDLBU-ARFHVFGLSA-N 0 3 333.366 3.692 20 30 EHEDHN COc1cccc([C@@H]2C[C@H]2C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000171655557 1034536866 /nfs/dbraw/zinc/53/68/66/1034536866.db2.gz JMDBMBHYXSKLTB-ARFHVFGLSA-N 0 3 332.359 3.816 20 30 EHEDHN COCC1(C2CCC2)CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000597191978 1034576992 /nfs/dbraw/zinc/57/69/92/1034576992.db2.gz NNJRBFHKUFBSLO-UHFFFAOYSA-N 0 3 328.456 3.618 20 30 EHEDHN C=CCCCN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000605149772 1034649020 /nfs/dbraw/zinc/64/90/20/1034649020.db2.gz NOUUFBWNROMOTR-UHFFFAOYSA-N 0 3 327.497 3.894 20 30 EHEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCCCC2 ZINC000584472940 1034778275 /nfs/dbraw/zinc/77/82/75/1034778275.db2.gz KWDJBMUDBUSJPJ-ROUUACIJSA-N 0 3 343.427 3.684 20 30 EHEDHN N#Cc1cccc2c1CN(C(=O)c1cccc(CN3CCCCC3)c1)C2 ZINC000593888057 1034790180 /nfs/dbraw/zinc/79/01/80/1034790180.db2.gz FFNDTQFKZOEZAC-UHFFFAOYSA-N 0 3 345.446 3.700 20 30 EHEDHN N#CC(C(=O)c1cnc(-c2ccccc2)nc1)c1nc2ccccc2[nH]1 ZINC000159661633 1034818561 /nfs/dbraw/zinc/81/85/61/1034818561.db2.gz SDXHUGYWWXEFSQ-HNNXBMFYSA-N 0 3 339.358 3.510 20 30 EHEDHN C=CCOc1ccccc1CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310652183 1035248324 /nfs/dbraw/zinc/24/83/24/1035248324.db2.gz JODVRBRJTXQKQC-QGZVFWFLSA-N 0 3 346.471 3.741 20 30 EHEDHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(C#N)cn1 ZINC000579968690 1035378397 /nfs/dbraw/zinc/37/83/97/1035378397.db2.gz PWUZOYVVYRHPAY-UHFFFAOYSA-N 0 3 349.413 3.547 20 30 EHEDHN C#CCN(C(=O)N[C@H](C)c1ccc(C(C)C)cc1)C1CCN(C)CC1 ZINC000913888173 1035625258 /nfs/dbraw/zinc/62/52/58/1035625258.db2.gz WYCRICHBNBRAMX-QGZVFWFLSA-N 0 3 341.499 3.610 20 30 EHEDHN N#CCCCCCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000588382404 1035916489 /nfs/dbraw/zinc/91/64/89/1035916489.db2.gz CKSSHLYDCLAMBQ-LJQANCHMSA-N 0 3 327.472 3.804 20 30 EHEDHN Cc1ccccc1[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)C1CC1 ZINC000272067666 1036048707 /nfs/dbraw/zinc/04/87/07/1036048707.db2.gz TXTVZZXNWILIRN-MGPUTAFESA-N 0 3 333.435 3.935 20 30 EHEDHN CC1=C[C@H](C)C[C@H](CN2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 ZINC000589495868 1036437956 /nfs/dbraw/zinc/43/79/56/1036437956.db2.gz GOBIVHWIVWAOFU-HOCLYGCPSA-N 0 3 340.471 3.538 20 30 EHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000464536661 1036545108 /nfs/dbraw/zinc/54/51/08/1036545108.db2.gz CNINQOGVSZRFRB-YLJYHZDGSA-N 0 3 328.500 3.788 20 30 EHEDHN C#CCN(C(=O)N[C@H](c1ccccc1)C(C)(C)C)C1CCN(C)CC1 ZINC000914120956 1036690824 /nfs/dbraw/zinc/69/08/24/1036690824.db2.gz GNSGPISAPQKTAB-LJQANCHMSA-N 0 3 341.499 3.513 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCC2(C1)CCCCCC2 ZINC000464769763 1036732020 /nfs/dbraw/zinc/73/20/20/1036732020.db2.gz JUARPGSKJALHKM-HKUYNNGSSA-N 0 3 333.520 3.866 20 30 EHEDHN CC[C@@H](c1ccc(F)cc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428789759 1036949964 /nfs/dbraw/zinc/94/99/64/1036949964.db2.gz PDMVRRMQXGXQHT-ROUUACIJSA-N 0 3 325.387 3.697 20 30 EHEDHN Cc1cc(C#N)ccc1CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000590765343 1037029882 /nfs/dbraw/zinc/02/98/82/1037029882.db2.gz NBDRZAWYQFQFFB-SFHVURJKSA-N 0 3 326.465 3.922 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC001168191224 1037086501 /nfs/dbraw/zinc/08/65/01/1037086501.db2.gz BKPBFKBZZYFKFF-DLBZAZTESA-N 0 3 337.442 3.792 20 30 EHEDHN N#CC(C(=O)c1cc2c(s1)CCOC2)c1ccc2ccccc2n1 ZINC000590880742 1037114223 /nfs/dbraw/zinc/11/42/23/1037114223.db2.gz PJZZLCNWEBRPHX-CQSZACIVSA-N 0 3 334.400 3.859 20 30 EHEDHN CCCOc1ccc(CNCc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000188795196 1037293145 /nfs/dbraw/zinc/29/31/45/1037293145.db2.gz ZLRCWIGNNKMBHG-UHFFFAOYSA-N 0 3 334.423 3.593 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1ccc(C#N)s1 ZINC000130139081 1037513500 /nfs/dbraw/zinc/51/35/00/1037513500.db2.gz XYOXORVKEPMOOD-MRXNPFEDSA-N 0 3 325.481 3.716 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000491582023 1037560432 /nfs/dbraw/zinc/56/04/32/1037560432.db2.gz SLYDVIZIMKJGKQ-RTBURBONSA-N 0 3 327.472 3.574 20 30 EHEDHN C[C@@H]1C[C@H](c2ccccc2)CN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000532576075 1037686611 /nfs/dbraw/zinc/68/66/11/1037686611.db2.gz HNUZKSXXHSLZMV-PBEJRMEISA-N 0 3 345.446 3.542 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1F ZINC000592165833 1037910659 /nfs/dbraw/zinc/91/06/59/1037910659.db2.gz FSPDQUVNZOHJIX-SFTDATJTSA-N 0 3 338.426 3.655 20 30 EHEDHN COc1ccc(COCCN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271946246 1037925071 /nfs/dbraw/zinc/92/50/71/1037925071.db2.gz NHMUFKXTUFQPAY-AWEZNQCLSA-N 0 3 328.387 3.573 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000492128300 1038010262 /nfs/dbraw/zinc/01/02/62/1038010262.db2.gz AFCAUZZYNQDMIK-NVXWUHKLSA-N 0 3 343.471 3.856 20 30 EHEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000041517978 1038115438 /nfs/dbraw/zinc/11/54/38/1038115438.db2.gz NLNCKRGDMURSGD-CYBMUJFWSA-N 0 3 328.393 3.515 20 30 EHEDHN C[C@H](NC[C@H](c1c(F)cccc1F)N(C)C)c1ccc(C#N)c(F)c1 ZINC000538506873 1038346859 /nfs/dbraw/zinc/34/68/59/1038346859.db2.gz IFYKMNMZNAYPCU-KPZWWZAWSA-N 0 3 347.384 3.929 20 30 EHEDHN C=CCC[C@H](C(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000470178937 1038568847 /nfs/dbraw/zinc/56/88/47/1038568847.db2.gz PXTQARQXZMJZGI-UXHICEINSA-N 0 3 326.484 3.870 20 30 EHEDHN N#Cc1c(F)cccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000509531548 1039143691 /nfs/dbraw/zinc/14/36/91/1039143691.db2.gz DKVTWICHJAWVHN-QZTJIDSGSA-N 0 3 335.426 3.623 20 30 EHEDHN CCc1nc2c(s1)[C@H](N(C)CCOc1ccc(C#N)cc1)CCC2 ZINC000478054050 1039156614 /nfs/dbraw/zinc/15/66/14/1039156614.db2.gz OVYGZMVOESREIE-QGZVFWFLSA-N 0 3 341.480 3.965 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613734673 1039544718 /nfs/dbraw/zinc/54/47/18/1039544718.db2.gz SHOWHCPEBOLBNL-GOSISDBHSA-N 0 3 339.483 3.772 20 30 EHEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000912481892 1039938843 /nfs/dbraw/zinc/93/88/43/1039938843.db2.gz DPKNUWMRQSSWTG-MRXNPFEDSA-N 0 3 332.444 3.639 20 30 EHEDHN C[C@H](NC(=O)[C@@]1(C#N)CC2CCC1CC2)[C@@H](c1ccccc1)N(C)C ZINC000907446785 1040061838 /nfs/dbraw/zinc/06/18/38/1040061838.db2.gz KGIVCBGJPVQWHX-OMFCPSKOSA-N 0 3 339.483 3.514 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(SC)ccc2Cl)CC1 ZINC000667470366 1040137976 /nfs/dbraw/zinc/13/79/76/1040137976.db2.gz WGMWUXKPZBSKRX-UHFFFAOYSA-N 0 3 339.892 3.834 20 30 EHEDHN C[C@@H](C1CC1)N(C(=O)CN[C@H](CCCC#N)c1ccccc1)C1CC1 ZINC000433012902 1040470081 /nfs/dbraw/zinc/47/00/81/1040470081.db2.gz MDLFTEPRQWSOIZ-OXJNMPFZSA-N 0 3 339.483 3.801 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000051797529 1040509311 /nfs/dbraw/zinc/50/93/11/1040509311.db2.gz UQQYEJJSKONDKC-RXVVDRJESA-N 0 3 349.478 3.568 20 30 EHEDHN C=CCC[C@H](Cc1ccccc1)NCc1nc2c(s1)COCC2 ZINC000927116561 1040556730 /nfs/dbraw/zinc/55/67/30/1040556730.db2.gz WAQZWLDVXRMLIY-MRXNPFEDSA-N 0 3 328.481 3.883 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)C=CCCC3)CC1 ZINC000667855742 1040578794 /nfs/dbraw/zinc/57/87/94/1040578794.db2.gz SKBGPBYHRJEOLS-UHFFFAOYSA-N 0 3 325.456 3.808 20 30 EHEDHN N#Cc1cc(CN2CCC(c3ncc4n3CCCC4)CC2)cs1 ZINC000894112294 1040669925 /nfs/dbraw/zinc/66/99/25/1040669925.db2.gz AYZHLECNJVEHGB-UHFFFAOYSA-N 0 3 326.469 3.532 20 30 EHEDHN CCC(CC)(NCn1cccc(C#N)c1=O)c1ccc(Cl)cc1 ZINC000758213866 1040788938 /nfs/dbraw/zinc/78/89/38/1040788938.db2.gz FTIVRKBQLSHANN-UHFFFAOYSA-N 0 3 329.831 3.636 20 30 EHEDHN COc1ccc2[nH]cc(C3CCN(Cc4ccc(C#N)cn4)CC3)c2c1 ZINC000555669883 1040994413 /nfs/dbraw/zinc/99/44/13/1040994413.db2.gz KRUVCFPHPICJCH-UHFFFAOYSA-N 0 3 346.434 3.823 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000433373748 1041344608 /nfs/dbraw/zinc/34/46/08/1041344608.db2.gz KSRNTOHOSIXJDD-IBGZPJMESA-N 0 3 335.451 3.768 20 30 EHEDHN C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1(C)C ZINC000759924062 1041740247 /nfs/dbraw/zinc/74/02/47/1041740247.db2.gz UQRCNCLAAGMMJR-KBPBESRZSA-N 0 3 341.480 3.841 20 30 EHEDHN N#CCc1cccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000075630745 1042113612 /nfs/dbraw/zinc/11/36/12/1042113612.db2.gz JSHWCDWXRWIBEG-NRFANRHFSA-N 0 3 347.462 3.710 20 30 EHEDHN C[C@H](CO)[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000661438785 1042126414 /nfs/dbraw/zinc/12/64/14/1042126414.db2.gz WKJJCJIKZJEMFI-PBHICJAKSA-N 0 3 325.374 3.540 20 30 EHEDHN C=CCC(C)(C)CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000432557893 1044227690 /nfs/dbraw/zinc/22/76/90/1044227690.db2.gz NDKZYEVQTFAGPC-GOSISDBHSA-N 0 3 343.515 3.895 20 30 EHEDHN C=CCC(C)(C)CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000432561670 1044255185 /nfs/dbraw/zinc/25/51/85/1044255185.db2.gz YXEMANGUCFXNNQ-UHFFFAOYSA-N 0 3 329.488 3.506 20 30 EHEDHN CN(C)[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000279704886 1044436261 /nfs/dbraw/zinc/43/62/61/1044436261.db2.gz SHJRCMAQIVTEPP-IBGZPJMESA-N 0 3 335.451 3.520 20 30 EHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000763948133 1126953035 /nfs/dbraw/zinc/95/30/35/1126953035.db2.gz PXQPHKGYLPPCIT-SMDDNHRTSA-N 0 3 335.319 3.716 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NCc1cccc(OC)c1)c1ccccc1 ZINC000180037026 1127112998 /nfs/dbraw/zinc/11/29/98/1127112998.db2.gz ZDZMZXGVOYNHCT-HXUWFJFHSA-N 0 3 338.451 3.609 20 30 EHEDHN Cc1cccc([C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(C)(C)C)c1 ZINC000180791519 1127187117 /nfs/dbraw/zinc/18/71/17/1127187117.db2.gz ZLXTUZXIZRTZKM-AZUAARDMSA-N 0 3 329.488 3.726 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000181060185 1127265372 /nfs/dbraw/zinc/26/53/72/1127265372.db2.gz KWCQLYKIBCKWGW-IEBWSBKVSA-N 0 3 333.451 3.557 20 30 EHEDHN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000764887801 1127546314 /nfs/dbraw/zinc/54/63/14/1127546314.db2.gz HDEITKIRJFKJIU-HDOQABGESA-N 0 3 328.843 3.985 20 30 EHEDHN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000764887801 1127546318 /nfs/dbraw/zinc/54/63/18/1127546318.db2.gz HDEITKIRJFKJIU-HDOQABGESA-N 0 3 328.843 3.985 20 30 EHEDHN N#CC(C(=O)c1cccc2nccnc21)c1ccc(C(F)(F)F)cn1 ZINC000542644819 1127552331 /nfs/dbraw/zinc/55/23/31/1127552331.db2.gz KPZIZIQGTZECAN-GFCCVEGCSA-N 0 3 342.280 3.534 20 30 EHEDHN C=CCOc1ccccc1CNC[C@](C)(O)c1ccccc1Cl ZINC000764981461 1127562047 /nfs/dbraw/zinc/56/20/47/1127562047.db2.gz FDWHUWYKFFWPRF-IBGZPJMESA-N 0 3 331.843 3.902 20 30 EHEDHN C=CCOc1ccc(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000785437902 1127731998 /nfs/dbraw/zinc/73/19/98/1127731998.db2.gz BWHBYAFQNAKIQJ-HNNXBMFYSA-N 0 3 334.460 3.596 20 30 EHEDHN COc1cccc([C@H](CNc2ccc3cc(C#N)ccc3n2)N(C)C)c1 ZINC000301817128 1128606357 /nfs/dbraw/zinc/60/63/57/1128606357.db2.gz JWVXVAWGFRVZBH-FQEVSTJZSA-N 0 3 346.434 3.830 20 30 EHEDHN N#Cc1ccc(OCCN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000302741734 1128645732 /nfs/dbraw/zinc/64/57/32/1128645732.db2.gz REJLUNPFKNIOEA-GOSISDBHSA-N 0 3 342.464 3.680 20 30 EHEDHN N#CCC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000542854844 1128694284 /nfs/dbraw/zinc/69/42/84/1128694284.db2.gz WOBRTAWDWNKVQI-UHFFFAOYSA-N 0 3 325.368 3.980 20 30 EHEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCc2ccccc2C1 ZINC000075744208 1128878150 /nfs/dbraw/zinc/87/81/50/1128878150.db2.gz XLLNLGLZBNYKAZ-IBGZPJMESA-N 0 3 344.418 3.598 20 30 EHEDHN COc1ccccc1CN(CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000063523861 1128881940 /nfs/dbraw/zinc/88/19/40/1128881940.db2.gz KNLVEALULJBHNI-UHFFFAOYSA-N 0 3 349.434 3.560 20 30 EHEDHN COCCOc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272178327 1120439748 /nfs/dbraw/zinc/43/97/48/1120439748.db2.gz FJHVWNUZUBZSQO-INIZCTEOSA-N 0 3 336.435 3.923 20 30 EHEDHN C=CCNC(=O)CN[C@@H](CCCc1ccccc1)c1ccc(F)cc1 ZINC000494810111 1120851226 /nfs/dbraw/zinc/85/12/26/1120851226.db2.gz IDMIYQOWIXCBSF-FQEVSTJZSA-N 0 3 340.442 3.782 20 30 EHEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2cncc(Cl)n2)ccc1[O-] ZINC000914557461 1120896377 /nfs/dbraw/zinc/89/63/77/1120896377.db2.gz SIGIBQICPKTMPN-UHFFFAOYSA-N 0 3 347.850 3.514 20 30 EHEDHN [O-]c1ccc(Cl)cc1/C=N\CC1([NH+]2CCSCC2)CCCC1 ZINC000915113062 1121199313 /nfs/dbraw/zinc/19/93/13/1121199313.db2.gz MQMZNFRDCBBVNQ-UNOMPAQXSA-N 0 3 338.904 3.826 20 30 EHEDHN COCCOc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000193613880 1121492661 /nfs/dbraw/zinc/49/26/61/1121492661.db2.gz CNMOOIYGAGEUDW-UHFFFAOYSA-N 0 3 336.435 3.748 20 30 EHEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(N2CCOC2=O)c1 ZINC000496047851 1121623341 /nfs/dbraw/zinc/62/33/41/1121623341.db2.gz XRUCHDXSJWBPSF-JLTOFOAXSA-N 0 3 347.418 3.853 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000171738956 1121671364 /nfs/dbraw/zinc/67/13/64/1121671364.db2.gz OROIREQQECKPRW-AWEZNQCLSA-N 0 3 335.879 3.693 20 30 EHEDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1[O-] ZINC000272530245 1121675626 /nfs/dbraw/zinc/67/56/26/1121675626.db2.gz QUMPUAWSEFZBBK-RTBURBONSA-N 0 3 349.434 3.500 20 30 EHEDHN Cc1ccccc1CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916642187 1122237458 /nfs/dbraw/zinc/23/74/58/1122237458.db2.gz RMTDMHDNFICHDC-MRXNPFEDSA-N 0 3 349.459 3.913 20 30 EHEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130462797 1122246025 /nfs/dbraw/zinc/24/60/25/1122246025.db2.gz BSYBILOWOCOMFR-CYBMUJFWSA-N 0 3 337.162 3.856 20 30 EHEDHN C=C(C)CN(CC)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000064237636 1122306261 /nfs/dbraw/zinc/30/62/61/1122306261.db2.gz VFFHMMFFOWSPGI-LJQANCHMSA-N 0 3 329.488 3.740 20 30 EHEDHN C[C@H](C1CC1)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000126943268 1122453107 /nfs/dbraw/zinc/45/31/07/1122453107.db2.gz VOAQIYQVOUWVDZ-CQSZACIVSA-N 0 3 345.874 3.850 20 30 EHEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)nc1 ZINC000556067417 1122798027 /nfs/dbraw/zinc/79/80/27/1122798027.db2.gz QKWDZRKTYJYRBB-ZDUSSCGKSA-N 0 3 349.312 3.773 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000921260881 1123500700 /nfs/dbraw/zinc/50/07/00/1123500700.db2.gz HPCSQRPTDRCUMB-CPNJWEJPSA-N 0 3 327.384 3.766 20 30 EHEDHN C=C(C)COCCNCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000134501667 1123528444 /nfs/dbraw/zinc/52/84/44/1123528444.db2.gz VWTCXYFLVPLSPO-UHFFFAOYSA-N 0 3 327.472 3.539 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000609627430 1123628938 /nfs/dbraw/zinc/62/89/38/1123628938.db2.gz SBIHGWBGYKVRLK-ZDUSSCGKSA-N 0 3 341.367 3.690 20 30 EHEDHN CC1CCN([C@H](CNc2ncccc2C#N)c2cccs2)CC1 ZINC000067948573 1123791923 /nfs/dbraw/zinc/79/19/23/1123791923.db2.gz PUUOMEXQYWCYEE-MRXNPFEDSA-N 0 3 326.469 3.900 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000245937811 1123985307 /nfs/dbraw/zinc/98/53/07/1123985307.db2.gz UHVVWNMQPNYPFV-ZFKCKOODSA-N 0 3 347.890 3.681 20 30 EHEDHN COc1ccc(C#N)cc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181194580 1124632945 /nfs/dbraw/zinc/63/29/45/1124632945.db2.gz WUTWERGSKZMVHX-PXNSSMCTSA-N 0 3 336.435 3.824 20 30 EHEDHN C=CCNC(=O)CN[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000181598836 1124963217 /nfs/dbraw/zinc/96/32/17/1124963217.db2.gz LIAVKKNQRPLVQN-GOSISDBHSA-N 0 3 328.843 3.516 20 30 EHEDHN CCN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000618288455 1125038004 /nfs/dbraw/zinc/03/80/04/1125038004.db2.gz WWAJFCLWUVCNEZ-FQEVSTJZSA-N 0 3 347.506 3.912 20 30 EHEDHN COc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1NC(C)=O ZINC000618804713 1125207419 /nfs/dbraw/zinc/20/74/19/1125207419.db2.gz LQSVGKYGCOQMPP-DJJJIMSYSA-N 0 3 349.434 3.863 20 30 EHEDHN Cn1cc([C@@H](NCC2CCC(C#N)CC2)c2cccc(F)c2)cn1 ZINC000619673616 1125379817 /nfs/dbraw/zinc/37/98/17/1125379817.db2.gz HYKMXZWLVQFVAG-ZOJXTTQQSA-N 0 3 326.419 3.568 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121633 1129236670 /nfs/dbraw/zinc/23/66/70/1129236670.db2.gz MKRSLCPGDGWHQU-SFHVURJKSA-N 0 3 343.496 3.749 20 30 EHEDHN CC(C)(C)OCCCNCc1cc(C#N)ccc1Br ZINC000922246051 1129396623 /nfs/dbraw/zinc/39/66/23/1129396623.db2.gz DGIWUFPLUWAQDX-UHFFFAOYSA-N 0 3 325.250 3.616 20 30 EHEDHN CC(C)Oc1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000347813362 1129864021 /nfs/dbraw/zinc/86/40/21/1129864021.db2.gz UBEOGTRAWPFMON-ZDUSSCGKSA-N 0 3 349.312 3.773 20 30 EHEDHN CCc1ccc([C@H](C)C(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000727953575 1130613370 /nfs/dbraw/zinc/61/33/70/1130613370.db2.gz KDVKYNMYEDIIIL-KSSFIOAISA-N 0 3 326.440 3.510 20 30 EHEDHN N#CCOc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000731213313 1130777899 /nfs/dbraw/zinc/77/78/99/1130777899.db2.gz PVFZUQMGSZANDK-UHFFFAOYSA-N 0 3 347.418 3.504 20 30 EHEDHN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000733053449 1130986983 /nfs/dbraw/zinc/98/69/83/1130986983.db2.gz NJUIMUQSXWPQCJ-WQVCFCJDSA-N 0 3 348.830 3.583 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2OCCc3ccccc32)c([O-])c1 ZINC000733080911 1130989098 /nfs/dbraw/zinc/98/90/98/1130989098.db2.gz GAXGCTMUEPRESW-XOWGOQOESA-N 0 3 338.451 3.971 20 30 EHEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCC1 ZINC000740886612 1131553749 /nfs/dbraw/zinc/55/37/49/1131553749.db2.gz XIAWETBJUKGIAL-CQSZACIVSA-N 0 3 327.453 3.735 20 30 EHEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000741793828 1131649741 /nfs/dbraw/zinc/64/97/41/1131649741.db2.gz ACZVWPADXAPYII-QLFBSQMISA-N 0 3 341.480 3.983 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cccc(COc3ccccc3)c2)CC1 ZINC000742356138 1131708502 /nfs/dbraw/zinc/70/85/02/1131708502.db2.gz PWIODFKCSYUPKJ-UHFFFAOYSA-N 0 3 348.446 3.549 20 30 EHEDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)OCCCO3)cc1C#N ZINC000742367601 1131711429 /nfs/dbraw/zinc/71/14/29/1131711429.db2.gz ZNPBGDQCCZVODR-CQSZACIVSA-N 0 3 338.407 3.579 20 30 EHEDHN CCCCCCCCCCCC[C@H](C)N1CCN(CC(N)=O)CC1 ZINC001172566165 1131774730 /nfs/dbraw/zinc/77/47/30/1131774730.db2.gz UBVUMZUNHIWGGI-IBGZPJMESA-N 0 3 339.568 3.789 20 30 EHEDHN Cc1ccc(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1 ZINC001172986237 1131925646 /nfs/dbraw/zinc/92/56/46/1131925646.db2.gz VNFFQIARMOXPOL-MSOLQXFVSA-N 0 3 343.471 3.719 20 30 EHEDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)N1CCc2cc(C#N)ccc2C1 ZINC001172958723 1131932333 /nfs/dbraw/zinc/93/23/33/1131932333.db2.gz YVNJHJZRBVEUPZ-OAHLLOKOSA-N 0 3 343.471 3.562 20 30 EHEDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)N1CCc2cc(C#N)ccc2C1 ZINC001172958720 1131932431 /nfs/dbraw/zinc/93/24/31/1131932431.db2.gz YVNJHJZRBVEUPZ-HNNXBMFYSA-N 0 3 343.471 3.562 20 30 EHEDHN CC[C@H]1CN(C2CCC(C)(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173599340 1132102423 /nfs/dbraw/zinc/10/24/23/1132102423.db2.gz KIPXFAOXNYPZHS-LYGPFTKASA-N 0 3 335.492 3.790 20 30 EHEDHN CC(=O)Oc1ccc(C2CCC(N3CC[C@](C)(C#N)C3)CC2)cc1 ZINC001173791237 1132149666 /nfs/dbraw/zinc/14/96/66/1132149666.db2.gz YZIADTFLFSCUQG-OUNSHVDWSA-N 0 3 326.440 3.874 20 30 EHEDHN Cc1cccc2c1CCN2CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000746387189 1132506143 /nfs/dbraw/zinc/50/61/43/1132506143.db2.gz HPYIYOYPCBFPCF-OAHLLOKOSA-N 0 3 347.443 3.844 20 30 EHEDHN Cc1cc(C#N)cc(C#N)c1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506607 1132694579 /nfs/dbraw/zinc/69/45/79/1132694579.db2.gz IRMDDLGEMBEMMY-UHFFFAOYSA-N 0 3 328.419 3.940 20 30 EHEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC001169900694 1132892684 /nfs/dbraw/zinc/89/26/84/1132892684.db2.gz NYDGKQWQCAYJDF-OALUTQOASA-N 0 3 344.842 3.565 20 30 EHEDHN Cc1ccccc1CN1CCCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000804347250 1132934544 /nfs/dbraw/zinc/93/45/44/1132934544.db2.gz BQFKMLYPVPODJS-UHFFFAOYSA-N 0 3 346.887 3.689 20 30 EHEDHN C#CCN(C[C@H]1CCC2(CCOCC2)O1)[C@H]1CCCc2ccccc21 ZINC001176453405 1132937752 /nfs/dbraw/zinc/93/77/52/1132937752.db2.gz TXUQMRQPQJQJSD-CTNGQTDRSA-N 0 3 339.479 3.727 20 30 EHEDHN Cc1cc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)ccc1C#N ZINC000767695009 1133035649 /nfs/dbraw/zinc/03/56/49/1133035649.db2.gz YUDILXYAVAHEAT-MRXNPFEDSA-N 0 3 333.435 3.844 20 30 EHEDHN CN(CCC#N)c1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000769481138 1133287494 /nfs/dbraw/zinc/28/74/94/1133287494.db2.gz RZEVFRNWVJYMKD-UHFFFAOYSA-N 0 3 345.450 3.512 20 30 EHEDHN Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1csc(C#N)c1 ZINC001180220043 1133345553 /nfs/dbraw/zinc/34/55/53/1133345553.db2.gz YKDBYMZIVDFCMK-MRXNPFEDSA-N 0 3 336.464 3.943 20 30 EHEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CCC1 ZINC000769929342 1133367969 /nfs/dbraw/zinc/36/79/69/1133367969.db2.gz YKLUTOWGRJQGAZ-OAHLLOKOSA-N 0 3 341.480 3.983 20 30 EHEDHN C#C[C@@H](CC)NCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001181576740 1133502594 /nfs/dbraw/zinc/50/25/94/1133502594.db2.gz NVZYCHJJFQKNEB-AWEZNQCLSA-N 0 3 334.485 3.543 20 30 EHEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000772349379 1133673373 /nfs/dbraw/zinc/67/33/73/1133673373.db2.gz VQKVHDLGEMZNQT-MSOLQXFVSA-N 0 3 327.472 3.813 20 30 EHEDHN C[C@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)CC(C)(C)C ZINC000787073363 1133946386 /nfs/dbraw/zinc/94/63/86/1133946386.db2.gz ONFIDJDEBRVYCW-NVXWUHKLSA-N 0 3 328.456 3.816 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074545 1133946661 /nfs/dbraw/zinc/94/66/61/1133946661.db2.gz ZSDKZTMDKGGREB-NXHRZFHOSA-N 0 3 326.440 3.570 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CC[C@@H](OC)C(F)(F)F)c([O-])c1 ZINC000787139908 1133958012 /nfs/dbraw/zinc/95/80/12/1133958012.db2.gz CXRNRGXWWRPQSA-PZUDMAOCSA-N 0 3 332.366 3.625 20 30 EHEDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1C#N ZINC000774819952 1134030932 /nfs/dbraw/zinc/03/09/32/1134030932.db2.gz GCHSZUSAIARQPK-FQEVSTJZSA-N 0 3 336.435 3.754 20 30 EHEDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1C#N ZINC000774819952 1134030939 /nfs/dbraw/zinc/03/09/39/1134030939.db2.gz GCHSZUSAIARQPK-FQEVSTJZSA-N 0 3 336.435 3.754 20 30 EHEDHN C#CCC1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000788453605 1134126585 /nfs/dbraw/zinc/12/65/85/1134126585.db2.gz OOUALPDJEMZQBR-FQEVSTJZSA-N 0 3 338.495 3.693 20 30 EHEDHN Cc1ccc(CC(=O)C(C#N)C(=O)Nc2cccc3ccccc32)o1 ZINC000775228514 1134556324 /nfs/dbraw/zinc/55/63/24/1134556324.db2.gz WWEKDTQNYHMWNH-QGZVFWFLSA-N 0 3 332.359 3.631 20 30 EHEDHN C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000775338290 1134646565 /nfs/dbraw/zinc/64/65/65/1134646565.db2.gz OOJNAVPTFDYWQV-INIZCTEOSA-N 0 3 333.435 3.645 20 30 EHEDHN CC[C@@]1(C)CCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001191212571 1134817874 /nfs/dbraw/zinc/81/78/74/1134817874.db2.gz AWJAGCSDEGRMBS-HECZYDGTSA-N 0 3 333.520 3.818 20 30 EHEDHN CCc1ccc([C@@H](C/N=C/c2cccc(OC)c2O)N(C)C)cc1 ZINC000005292393 1134921342 /nfs/dbraw/zinc/92/13/42/1134921342.db2.gz SGGMJRDSQPPKHC-KOMLCTQHSA-N 0 3 326.440 3.685 20 30 EHEDHN CC(C)(C)[C@H](NCn1cc2c(c(C#N)c1=O)CCCC2)c1ccccc1 ZINC000793483036 1134938947 /nfs/dbraw/zinc/93/89/47/1134938947.db2.gz JMRPVPRMSCNVCN-HXUWFJFHSA-N 0 3 349.478 3.933 20 30 EHEDHN O=C(Nc1ccc2sccc2c1)N1CCC2SC(=O)C=C2C1 ZINC001192432993 1135013060 /nfs/dbraw/zinc/01/30/60/1135013060.db2.gz ZNILVDFVCHXNSL-AWEZNQCLSA-N 0 3 330.434 3.707 20 30 EHEDHN C#CCN1CCC(C(=O)NC[C@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000804705951 1135180736 /nfs/dbraw/zinc/18/07/36/1135180736.db2.gz KLBOKHWGUZMESQ-IBGZPJMESA-N 0 3 346.902 3.541 20 30 EHEDHN CCCCCCCOC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001193995365 1135219558 /nfs/dbraw/zinc/21/95/58/1135219558.db2.gz MNUMNYVPBZDSAY-HDICACEKSA-N 0 3 345.487 3.552 20 30 EHEDHN C=CCCCCCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000805218115 1135250233 /nfs/dbraw/zinc/25/02/33/1135250233.db2.gz SKVVLPQYFUMSRA-IBGZPJMESA-N 0 3 329.488 3.546 20 30 EHEDHN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC001194682844 1135305579 /nfs/dbraw/zinc/30/55/79/1135305579.db2.gz HDUIMCZGNUKRBS-GUXCAODWSA-N 0 3 333.435 3.763 20 30 EHEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCCC(C)(C)C)cc1 ZINC000805857905 1135340396 /nfs/dbraw/zinc/34/03/96/1135340396.db2.gz JTQFCWCEDVDPQQ-QGZVFWFLSA-N 0 3 344.455 3.627 20 30 EHEDHN CN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001195022328 1135354294 /nfs/dbraw/zinc/35/42/94/1135354294.db2.gz LWUVBOSALJSOKF-WOJBJXKFSA-N 0 3 333.435 3.765 20 30 EHEDHN N#CC1CCC(COC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000805930127 1135356840 /nfs/dbraw/zinc/35/68/40/1135356840.db2.gz BIHXRCDSKQIRDV-UHFFFAOYSA-N 0 3 340.467 3.772 20 30 EHEDHN C=CCN(C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)C(C)C ZINC000747305182 1135386451 /nfs/dbraw/zinc/38/64/51/1135386451.db2.gz JGVKMLWHVDMXCE-IBGZPJMESA-N 0 3 329.488 3.738 20 30 EHEDHN C#Cc1cccc(NC(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)c1 ZINC000806182853 1135407691 /nfs/dbraw/zinc/40/76/91/1135407691.db2.gz FEEJXYQRQOUDLK-YOEHRIQHSA-N 0 3 325.412 3.512 20 30 EHEDHN CC(C)Oc1ccc([C@@H](C/N=C/c2ccccc2O)N(C)C)cc1 ZINC000806551616 1135456969 /nfs/dbraw/zinc/45/69/69/1135456969.db2.gz WEMLFVZGGJEZTF-DBRLUCFCSA-N 0 3 326.440 3.901 20 30 EHEDHN C#CC[C@@H](NC(=O)N(CCC)CCN1CCCCC1)c1ccccc1 ZINC000807029502 1135513992 /nfs/dbraw/zinc/51/39/92/1135513992.db2.gz FKIRHGGJFOFXOO-HXUWFJFHSA-N 0 3 341.499 3.659 20 30 EHEDHN C#CCN(Cc1ccccc1)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000807402067 1135542322 /nfs/dbraw/zinc/54/23/22/1135542322.db2.gz XYSGBOLSNNDNDV-WIYYLYMNSA-N 0 3 349.478 3.523 20 30 EHEDHN C=CC[C@@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC001196443025 1135557634 /nfs/dbraw/zinc/55/76/34/1135557634.db2.gz SWXMQDTZUWBADJ-UTKZUKDTSA-N 0 3 326.484 3.932 20 30 EHEDHN C[C@@H]1CCCC[C@H]1OCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC001196418768 1135561806 /nfs/dbraw/zinc/56/18/06/1135561806.db2.gz GKSLIEIGYVYQHL-OXQOHEQNSA-N 0 3 327.472 3.728 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001197185246 1135653067 /nfs/dbraw/zinc/65/30/67/1135653067.db2.gz LINMHMRVAWLGIY-KRWDZBQOSA-N 0 3 328.456 3.729 20 30 EHEDHN C#CCOc1ccccc1CNC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808426166 1135659680 /nfs/dbraw/zinc/65/96/80/1135659680.db2.gz LIZUBWFNQPLTMM-QGZVFWFLSA-N 0 3 349.352 3.541 20 30 EHEDHN C#CC[C@H](NC(=O)N[C@H](C)CN(C)Cc1ccccc1)c1ccccc1 ZINC000775774577 1135691034 /nfs/dbraw/zinc/69/10/34/1135691034.db2.gz OCYNPIQGDCZXRE-NQIIRXRSSA-N 0 3 349.478 3.571 20 30 EHEDHN C#CCN(C[C@H](O)COCc1ccccc1)[C@H]1CCCc2ccccc21 ZINC001198104022 1135776395 /nfs/dbraw/zinc/77/63/95/1135776395.db2.gz LPHOTJHBQWDKNW-GMAHTHKFSA-N 0 3 349.474 3.577 20 30 EHEDHN C=CCC[C@@H]1CCCN1CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC001198407133 1135811295 /nfs/dbraw/zinc/81/12/95/1135811295.db2.gz QOVOAAWNXZVHOB-NQIIRXRSSA-N 0 3 342.483 3.693 20 30 EHEDHN C#Cc1ccc(CN(C)Cc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000809541947 1135849690 /nfs/dbraw/zinc/84/96/90/1135849690.db2.gz RHZZBHZWBVVAHP-UHFFFAOYSA-N 0 3 331.362 3.910 20 30 EHEDHN C#C[C@H](NCc1cn(-c2ccccc2)nc1-c1cccnc1)C(C)C ZINC000809685424 1135871963 /nfs/dbraw/zinc/87/19/63/1135871963.db2.gz SSZCXOBRRUUEAN-FQEVSTJZSA-N 0 3 330.435 3.682 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000775970551 1135905075 /nfs/dbraw/zinc/90/50/75/1135905075.db2.gz CFNQQXCQHJOUAJ-QGZVFWFLSA-N 0 3 344.503 3.695 20 30 EHEDHN C=CCc1cc(CNCc2ccc3c(c2)CCO3)cc(OC)c1OC ZINC000105478040 1135948549 /nfs/dbraw/zinc/94/85/49/1135948549.db2.gz OAKIVNMWHZKWQC-UHFFFAOYSA-N 0 3 339.435 3.657 20 30 EHEDHN C#Cc1ccccc1CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000810434584 1135961491 /nfs/dbraw/zinc/96/14/91/1135961491.db2.gz OMIIEWWHOOAVDY-JOCHJYFZSA-N 0 3 346.474 3.554 20 30 EHEDHN CC(C)(C)N1CC[C@@](F)(C(=O)C(C#N)c2ccc3ccccc3n2)C1 ZINC000810522121 1135968926 /nfs/dbraw/zinc/96/89/26/1135968926.db2.gz XGRZJNOHICGACN-QRWLVFNGSA-N 0 3 339.414 3.624 20 30 EHEDHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000776154282 1136006274 /nfs/dbraw/zinc/00/62/74/1136006274.db2.gz SBOZRUVMOQIXKF-LAUBAEHRSA-N 0 3 349.478 3.689 20 30 EHEDHN COc1cccc(O)c1/C=N\C[C@@H](c1cccs1)N1CCCC1 ZINC000812396402 1136204059 /nfs/dbraw/zinc/20/40/59/1136204059.db2.gz RWNDWDGCKVBWHM-CCRNYGKSSA-N 0 3 330.453 3.718 20 30 EHEDHN C#C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(F)cc1 ZINC000812751157 1136242515 /nfs/dbraw/zinc/24/25/15/1136242515.db2.gz LQQGSNZKIPCGIE-FQEVSTJZSA-N 0 3 336.410 3.526 20 30 EHEDHN C#CCCOc1ccc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)cc1 ZINC000850394807 1136248336 /nfs/dbraw/zinc/24/83/36/1136248336.db2.gz DYKIXTOCVMRVEB-FGZHOGPDSA-N 0 3 337.463 3.937 20 30 EHEDHN N#Cc1cccc(C2(NC[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000812831304 1136256424 /nfs/dbraw/zinc/25/64/24/1136256424.db2.gz KBQSQEAZALMJQJ-KRWDZBQOSA-N 0 3 346.352 3.889 20 30 EHEDHN C[C@H](CN(C)C(=O)OC(C)(C)C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000850577435 1136290968 /nfs/dbraw/zinc/29/09/68/1136290968.db2.gz CYXKVAFKWCVFSW-OLZOCXBDSA-N 0 3 335.423 3.603 20 30 EHEDHN C[C@H](CN(C)C(=O)OC(C)(C)C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000850577426 1136291302 /nfs/dbraw/zinc/29/13/02/1136291302.db2.gz CYXKVAFKWCVFSW-CHWSQXEVSA-N 0 3 335.423 3.603 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2occc2C)cc1 ZINC000850761273 1136302046 /nfs/dbraw/zinc/30/20/46/1136302046.db2.gz JTCWKZWZRJEGEQ-CXAGYDPISA-N 0 3 338.407 3.992 20 30 EHEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000813213469 1136303447 /nfs/dbraw/zinc/30/34/47/1136303447.db2.gz MQLVQXURIPLHSP-KWCYVHTRSA-N 0 3 340.345 3.872 20 30 EHEDHN C[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)Cc2ccccc2O1 ZINC000814177983 1136411370 /nfs/dbraw/zinc/41/13/70/1136411370.db2.gz XTCHOMPGDDACNQ-KRWDZBQOSA-N 0 3 335.451 3.820 20 30 EHEDHN N#CCN1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815578367 1136613572 /nfs/dbraw/zinc/61/35/72/1136613572.db2.gz MYLDPSPSABITAP-OAQYLSRUSA-N 0 3 349.478 3.644 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000855172603 1136674180 /nfs/dbraw/zinc/67/41/80/1136674180.db2.gz NFDSFYXFEOVIQL-BGTYHANMSA-N 0 3 327.424 3.542 20 30 EHEDHN C#CCOc1ccc(CNCc2cc(Br)cs2)cc1 ZINC000113323665 1136696843 /nfs/dbraw/zinc/69/68/43/1136696843.db2.gz XMTGKZSOQJTWJO-UHFFFAOYSA-N 0 3 336.254 3.812 20 30 EHEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(N3CCCOC3=O)cc2)cc1 ZINC000816627592 1136739305 /nfs/dbraw/zinc/73/93/05/1136739305.db2.gz RIEFSHLWKFJZLU-INIZCTEOSA-N 0 3 334.419 3.865 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000856759622 1136807672 /nfs/dbraw/zinc/80/76/72/1136807672.db2.gz XGLWEQXIFBVLNJ-KSZLIROESA-N 0 3 327.472 3.608 20 30 EHEDHN Cc1ccc(O[C@@H]2CCN(Cc3ccc(C4(C#N)CC4)cc3)C2)nc1 ZINC000858013037 1136930938 /nfs/dbraw/zinc/93/09/38/1136930938.db2.gz GDTZMMJHAAYQSX-LJQANCHMSA-N 0 3 333.435 3.599 20 30 EHEDHN C#CCCCOc1cccnc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000820604764 1136999714 /nfs/dbraw/zinc/99/97/14/1136999714.db2.gz LMSKOWAPBVHZGL-IBGZPJMESA-N 0 3 335.451 3.560 20 30 EHEDHN COc1ccc(N2CCCN(Cc3ccc(C)c(C#N)c3)CC2)cc1 ZINC000859086875 1137002548 /nfs/dbraw/zinc/00/25/48/1137002548.db2.gz PPQNROQIPPXHFW-UHFFFAOYSA-N 0 3 335.451 3.588 20 30 EHEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860469268 1137061622 /nfs/dbraw/zinc/06/16/22/1137061622.db2.gz YGEVBGPVGOHSIG-VAMGGRTRSA-N 0 3 346.430 3.596 20 30 EHEDHN CSCCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000860470319 1137061710 /nfs/dbraw/zinc/06/17/10/1137061710.db2.gz YNIYMWSJZQJFET-MRXNPFEDSA-N 0 3 332.469 3.956 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCCC)c(C)c2)CC1 ZINC000861628596 1137115598 /nfs/dbraw/zinc/11/55/98/1137115598.db2.gz XLEVVHTVVIMFFP-UHFFFAOYSA-N 0 3 345.487 3.946 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCCC(C)(C)C)cc1 ZINC000805855328 1137125196 /nfs/dbraw/zinc/12/51/96/1137125196.db2.gz GXTVOMFCPLYEPT-MRXNPFEDSA-N 0 3 330.428 3.949 20 30 EHEDHN CN1CCCC[C@H]1c1ccc(NC(=N)c2ccc3ccccc3n2)nc1 ZINC001171046189 1137125263 /nfs/dbraw/zinc/12/52/63/1137125263.db2.gz LMYZDVRASFDOHB-IBGZPJMESA-N 0 3 345.450 3.824 20 30 EHEDHN COC(=O)C1(C#N)CCN(C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000824872339 1137156684 /nfs/dbraw/zinc/15/66/84/1137156684.db2.gz RBBWWYGPFOXJHA-GOSISDBHSA-N 0 3 328.456 3.595 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000825311015 1137174102 /nfs/dbraw/zinc/17/41/02/1137174102.db2.gz FIPISZBSUMGIRD-IBGZPJMESA-N 0 3 341.476 3.754 20 30 EHEDHN CCCN(C)[C@@H](CNC(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000794500292 1137179674 /nfs/dbraw/zinc/17/96/74/1137179674.db2.gz UKZCBCIVIQJJBP-INIZCTEOSA-N 0 3 345.830 3.618 20 30 EHEDHN CN(CCc1c(F)cccc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369279 1137215982 /nfs/dbraw/zinc/21/59/82/1137215982.db2.gz JXXNCTUBVHPXBZ-GOSISDBHSA-N 0 3 332.806 3.559 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000865545971 1137293830 /nfs/dbraw/zinc/29/38/30/1137293830.db2.gz KLXIJAIDVLVZNH-OAQYLSRUSA-N 0 3 345.446 3.571 20 30 EHEDHN CC(C)COc1cccc(CN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000846006216 1137325455 /nfs/dbraw/zinc/32/54/55/1137325455.db2.gz HLFXCNRHHGBYEB-NRFANRHFSA-N 0 3 338.451 3.758 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(Oc2ccc(F)cn2)CC1 ZINC001171232991 1137356124 /nfs/dbraw/zinc/35/61/24/1137356124.db2.gz YHMQMGLXURFASU-HNNXBMFYSA-N 0 3 339.414 3.567 20 30 EHEDHN CC(C)(C)OC(=O)NCC12CCC(CC1)CN2CCC(C)(C)C#N ZINC000846902310 1137374844 /nfs/dbraw/zinc/37/48/44/1137374844.db2.gz OHMDZINUTJNXGF-UHFFFAOYSA-N 0 3 335.492 3.696 20 30 EHEDHN C=C[C@@H](C(=O)N1CCN(C2CCC(C)CC2)CC1)c1ccccc1 ZINC001146814437 1137394652 /nfs/dbraw/zinc/39/46/52/1137394652.db2.gz URRWAIWOYBITLV-LYBXBRPPSA-N 0 3 326.484 3.679 20 30 EHEDHN CC(N=Nc1cccc(F)n1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000795007926 1137406240 /nfs/dbraw/zinc/40/62/40/1137406240.db2.gz RPRKWBJNCOXRGH-UHFFFAOYSA-N 0 3 342.418 3.748 20 30 EHEDHN CN(C[C@@H](O)c1cccc(C#N)c1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001171791379 1137512484 /nfs/dbraw/zinc/51/24/84/1137512484.db2.gz ITBBKJDJCASIKI-OTWHNJEPSA-N 0 3 342.389 3.572 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001172308166 1137545698 /nfs/dbraw/zinc/54/56/98/1137545698.db2.gz IXTIVSAMWQZJRF-PBHICJAKSA-N 0 3 330.428 3.515 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cc(O)ccc1Br ZINC001172300134 1137549366 /nfs/dbraw/zinc/54/93/66/1137549366.db2.gz SBZGMNAYXUTIIJ-GFCCVEGCSA-N 0 3 345.240 3.747 20 30 EHEDHN Cc1ccoc1CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000795182734 1137552029 /nfs/dbraw/zinc/55/20/29/1137552029.db2.gz WLQQXOWNMWGIJG-CYBMUJFWSA-N 0 3 339.420 3.506 20 30 EHEDHN CCCCCCC[C@@H](CC)n1nc(C(=O)N(C)C)c2c1CCNC2 ZINC001172355068 1137554308 /nfs/dbraw/zinc/55/43/08/1137554308.db2.gz MHDFHMJNHYTERK-OAHLLOKOSA-N 0 3 334.508 3.542 20 30 EHEDHN N#Cc1cccc(CN2CCCCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000876804982 1137661938 /nfs/dbraw/zinc/66/19/38/1137661938.db2.gz WCMYMLCFZBGVOL-ROUUACIJSA-N 0 3 341.480 3.883 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1cccc(-c2ccncc2)c1 ZINC000876886508 1137664589 /nfs/dbraw/zinc/66/45/89/1137664589.db2.gz YITKJWQPZFRRJR-GOSISDBHSA-N 0 3 343.858 3.567 20 30 EHEDHN CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000877064612 1137669199 /nfs/dbraw/zinc/66/91/99/1137669199.db2.gz BYXCYOMDBXCEQJ-IRXDYDNUSA-N 0 3 327.472 3.649 20 30 EHEDHN CCOc1cc(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc(Cl)c1[O-] ZINC000877766426 1137689018 /nfs/dbraw/zinc/68/90/18/1137689018.db2.gz BHIQHDZYMBFVMS-INIZCTEOSA-N 0 3 342.826 3.573 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000877982580 1137698197 /nfs/dbraw/zinc/69/81/97/1137698197.db2.gz ARXZEKDOOAIVHH-FQEVSTJZSA-N 0 3 345.483 3.659 20 30 EHEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccccc1OC(C)C)C2 ZINC001137138331 1137729724 /nfs/dbraw/zinc/72/97/24/1137729724.db2.gz XLYFITWALAZKCK-CTNGQTDRSA-N 0 3 345.483 3.800 20 30 EHEDHN CC(C)(C)OC(=O)N1CCN(CCC(C)(C)C#N)C2(CCC2)CC1 ZINC000880349280 1137775846 /nfs/dbraw/zinc/77/58/46/1137775846.db2.gz BYJHMDKVJPJFJD-UHFFFAOYSA-N 0 3 335.492 3.792 20 30 EHEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000348248368 1137877222 /nfs/dbraw/zinc/87/72/22/1137877222.db2.gz UXQODQXCYLNSOD-WBMJQRKESA-N 0 3 348.372 3.731 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000106039743 1137882457 /nfs/dbraw/zinc/88/24/57/1137882457.db2.gz PWFLYQCDRZGHNK-UHFFFAOYSA-N 0 3 327.255 3.764 20 30 EHEDHN CCCOc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cn1 ZINC000107717298 1137887805 /nfs/dbraw/zinc/88/78/05/1137887805.db2.gz WPKCOWGCAMLAAY-UHFFFAOYSA-N 0 3 338.455 3.510 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2nc3cc(F)c(C)cc3s2)CC1 ZINC000332339856 1137940609 /nfs/dbraw/zinc/94/06/09/1137940609.db2.gz RSXSLMYBOBAGOJ-UHFFFAOYSA-N 0 3 348.447 3.516 20 30 EHEDHN C[C@@H](NCCOc1ccccc1C#N)c1cnn(Cc2ccccc2)c1 ZINC000348360908 1138043159 /nfs/dbraw/zinc/04/31/59/1138043159.db2.gz BIKIGGARWLYNAA-QGZVFWFLSA-N 0 3 346.434 3.533 20 30 EHEDHN N#CC1(C[C@H](O)CN2CCC(c3cccc(F)c3F)CC2)CCC1 ZINC000886140339 1138051687 /nfs/dbraw/zinc/05/16/87/1138051687.db2.gz FMKRQCLYWXKZNC-HNNXBMFYSA-N 0 3 334.410 3.589 20 30 EHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NCCN1CCCCC1 ZINC000066953944 1138078985 /nfs/dbraw/zinc/07/89/85/1138078985.db2.gz CQNQODUDWZOZFU-OAHLLOKOSA-N 0 3 346.500 3.688 20 30 EHEDHN C#CCN(C(=O)C[C@@H]1C[C@H](C)c2c1cccc2C)C1CCN(C)CC1 ZINC000886577653 1138098859 /nfs/dbraw/zinc/09/88/59/1138098859.db2.gz RFKGKRMIIZXNLD-ROUUACIJSA-N 0 3 338.495 3.532 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000886763687 1138135186 /nfs/dbraw/zinc/13/51/86/1138135186.db2.gz BRBHGSLBTNOQIR-UHFFFAOYSA-N 0 3 338.451 3.564 20 30 EHEDHN N#CC1(CCCN2CCN(c3cccc(Cl)c3)CC2)CCOCC1 ZINC000337128022 1138473231 /nfs/dbraw/zinc/47/32/31/1138473231.db2.gz HRRGOJLPPVLOSR-UHFFFAOYSA-N 0 3 347.890 3.563 20 30 EHEDHN CSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000337214488 1138497376 /nfs/dbraw/zinc/49/73/76/1138497376.db2.gz FDSOKAXRRXDLLZ-KGLIPLIRSA-N 0 3 339.464 3.958 20 30 EHEDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000174374312 1139417044 /nfs/dbraw/zinc/41/70/44/1139417044.db2.gz KGRLQBSJWUWPHX-OAHLLOKOSA-N 0 3 337.423 3.503 20 30 EHEDHN C#CCOc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1 ZINC000174646913 1139433865 /nfs/dbraw/zinc/43/38/65/1139433865.db2.gz NZXFOXHSGVYQJH-UHFFFAOYSA-N 0 3 339.410 3.633 20 30 EHEDHN N#Cc1ccc(CN(Cc2ccccc2N2CCOCC2)C2CC2)cc1 ZINC000180030524 1139803505 /nfs/dbraw/zinc/80/35/05/1139803505.db2.gz KSAXQWNGZSNCRY-UHFFFAOYSA-N 0 3 347.462 3.559 20 30 EHEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180559371 1139844902 /nfs/dbraw/zinc/84/49/02/1139844902.db2.gz IJFKYVHPSMDALS-SFHVURJKSA-N 0 3 325.368 3.738 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)s1 ZINC000180637805 1139852423 /nfs/dbraw/zinc/85/24/23/1139852423.db2.gz LKGXDCOIRDDAKJ-CRAIPNDOSA-N 0 3 330.428 3.847 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CC)[C@H](C)Cc2ccsc2)CC1 ZINC000187038101 1140233789 /nfs/dbraw/zinc/23/37/89/1140233789.db2.gz MXUCVTJVAHXYFV-MRXNPFEDSA-N 0 3 349.544 3.751 20 30 EHEDHN Cn1cc(CNC2(c3ccc(Br)cc3)CCC2)cc1C#N ZINC000190926040 1140426061 /nfs/dbraw/zinc/42/60/61/1140426061.db2.gz PMAKKOBQNUUWNZ-UHFFFAOYSA-N 0 3 344.256 3.828 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2OC(C)(C)C)CC1 ZINC000271196935 1141323810 /nfs/dbraw/zinc/32/38/10/1141323810.db2.gz IBCUEENKGBLCIP-UHFFFAOYSA-N 0 3 349.450 3.775 20 30 EHEDHN C=CCC[C@@H](N[C@H](C)c1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000271642324 1141410957 /nfs/dbraw/zinc/41/09/57/1141410957.db2.gz DXFVQMHSAPXVLB-DNVCBOLYSA-N 0 3 344.480 3.692 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000274201969 1141485127 /nfs/dbraw/zinc/48/51/27/1141485127.db2.gz LBAFZCKGYUPHSC-UXIGCNINSA-N 0 3 335.245 3.945 20 30 EHEDHN C=CCC[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000819734068 607390197 /nfs/dbraw/zinc/39/01/97/607390197.db2.gz HMNRHZGYSQSHRS-INIZCTEOSA-N 0 3 325.441 3.725 20 30 EHEDHN C=CCC[C@H]([NH2+]Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000819734068 607390199 /nfs/dbraw/zinc/39/01/99/607390199.db2.gz HMNRHZGYSQSHRS-INIZCTEOSA-N 0 3 325.441 3.725 20 30 EHEDHN C=CCC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000823894272 608537561 /nfs/dbraw/zinc/53/75/61/608537561.db2.gz LYILQDXGGFHCIH-KRWDZBQOSA-N 0 3 337.402 3.803 20 30 EHEDHN C=CCC[C@H](NCc1cc(-c2nn[nH]n2)ccc1OC)c1ccccc1 ZINC000823894862 608537573 /nfs/dbraw/zinc/53/75/73/608537573.db2.gz YLHPKXNMBNXTRA-SFHVURJKSA-N 0 3 349.438 3.672 20 30 EHEDHN CC[C@](C)(C#N)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000579751273 1014369568 /nfs/dbraw/zinc/36/95/68/1014369568.db2.gz GWKHVSZAPUQWEW-AZUAARDMSA-N 0 3 329.488 3.544 20 30 EHEDHN CCC(C#N)(CC)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001625783885 1014510319 /nfs/dbraw/zinc/51/03/19/1014510319.db2.gz DQFHEBDRHNFCTF-IBGZPJMESA-N 0 3 343.515 3.934 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CCC(c2ccsc2)CC1 ZINC000186937001 1014618476 /nfs/dbraw/zinc/61/84/76/1014618476.db2.gz IGNDOLCXCLDYSV-UHFFFAOYSA-N 0 3 345.493 3.889 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](CC2CC2)C1 ZINC000339676127 1015505518 /nfs/dbraw/zinc/50/55/18/1015505518.db2.gz SRMYNHZXCNTEEB-NVXWUHKLSA-N 0 3 343.446 3.583 20 30 EHEDHN N#Cc1ccc(OCCN(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000059958924 1015739276 /nfs/dbraw/zinc/73/92/76/1015739276.db2.gz QYIZWWOXVSZNPO-NRFANRHFSA-N 0 3 336.435 3.618 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c(F)c1 ZINC000134785890 1015792150 /nfs/dbraw/zinc/79/21/50/1015792150.db2.gz ANRFLISJPUBPRT-AZUAARDMSA-N 0 3 342.389 3.925 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H]2Cn2cnc3ccccc32)c(F)c1 ZINC000339908813 1015883425 /nfs/dbraw/zinc/88/34/25/1015883425.db2.gz HVZJSQGLKRTFQJ-KRWDZBQOSA-N 0 3 334.398 3.712 20 30 EHEDHN N#Cc1cccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000043329928 1016341517 /nfs/dbraw/zinc/34/15/17/1016341517.db2.gz NXGOGRYYKCYIDP-LJQANCHMSA-N 0 3 334.423 3.517 20 30 EHEDHN Cn1cc(CN[C@@H](c2ccccc2)C2(CO)CCCCC2)cc1C#N ZINC000414527185 1016954031 /nfs/dbraw/zinc/95/40/31/1016954031.db2.gz MKILLJKHTIYGRV-FQEVSTJZSA-N 0 3 337.467 3.670 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)N(CCN(C)C)Cc2ccsc2)c1 ZINC000459608207 1032326519 /nfs/dbraw/zinc/32/65/19/1032326519.db2.gz HZDFHGOJRWLDJO-UHFFFAOYSA-N 0 3 342.468 3.524 20 30 EHEDHN CCCOc1c(Cl)cc(/C=C2\C(=O)c3ncnn3C2C)cc1OC ZINC000905079727 1032332776 /nfs/dbraw/zinc/33/27/76/1032332776.db2.gz FWSXJWUOVWUZGG-GWHHBTOMSA-N 0 3 347.802 3.570 20 30 EHEDHN Cc1ccccc1[C@H](CC(C)C)NCC(=O)N[C@](C)(C#N)C(C)C ZINC000537058704 1032496798 /nfs/dbraw/zinc/49/67/98/1032496798.db2.gz SCXAXVOYCDSNSL-AZUAARDMSA-N 0 3 329.488 3.726 20 30 EHEDHN CC(C)(C)c1ccc(C(C)(C)NCC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000537105418 1032523422 /nfs/dbraw/zinc/52/34/22/1032523422.db2.gz DMCHDVDIJHKEPT-NRFANRHFSA-N 0 3 341.499 3.617 20 30 EHEDHN Cc1nc(CNC2CCC(C)(C#N)CC2)sc1Br ZINC000449403566 1032525262 /nfs/dbraw/zinc/52/52/62/1032525262.db2.gz WQPNEUPDYFYLID-UHFFFAOYSA-N 0 3 328.279 3.776 20 30 EHEDHN C=C(C)COc1cc(CN(C)[C@@H](CO)c2ccccc2)ccc1OC ZINC000449449721 1032565351 /nfs/dbraw/zinc/56/53/51/1032565351.db2.gz DVMDVGKVUKJVER-IBGZPJMESA-N 0 3 341.451 3.816 20 30 EHEDHN Cc1csc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000449478016 1032601719 /nfs/dbraw/zinc/60/17/19/1032601719.db2.gz JLEAGKRNVUDOIN-UHFFFAOYSA-N 0 3 337.452 3.519 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000275592773 1017407226 /nfs/dbraw/zinc/40/72/26/1017407226.db2.gz JYXUOINVPHUAMW-HNNXBMFYSA-N 0 3 349.434 3.676 20 30 EHEDHN COc1ccc2c(c1)nccc2N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761239142 1032700023 /nfs/dbraw/zinc/70/00/23/1032700023.db2.gz BFSBMVWLGALXOK-NRFANRHFSA-N 0 3 345.402 3.693 20 30 EHEDHN N#Cc1csc(CNCCNc2ncc(Cl)cc2Cl)c1 ZINC000176852679 1017478469 /nfs/dbraw/zinc/47/84/69/1017478469.db2.gz RXQVIGVRTNBXQM-UHFFFAOYSA-N 0 3 327.240 3.523 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000275711281 1018214935 /nfs/dbraw/zinc/21/49/35/1018214935.db2.gz RQESKIJAPWKFDN-MRXNPFEDSA-N 0 3 339.483 3.780 20 30 EHEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(C)c(F)c(C)c1)C2 ZINC001143379736 1018246082 /nfs/dbraw/zinc/24/60/82/1018246082.db2.gz VHEGGJWLOJKDLS-QUCCMNQESA-N 0 3 333.447 3.769 20 30 EHEDHN N#CC1(c2ccccc2)CCC(NCc2nccn2C(F)F)CC1 ZINC000271079162 1018565265 /nfs/dbraw/zinc/56/52/65/1018565265.db2.gz QAWPLURYPLCLIE-UHFFFAOYSA-N 0 3 330.382 3.772 20 30 EHEDHN N#Cc1csc(CNC[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000177699152 1018590940 /nfs/dbraw/zinc/59/09/40/1018590940.db2.gz SSKRQUKPPNRLGG-CQSZACIVSA-N 0 3 327.236 3.750 20 30 EHEDHN Cc1nc(C(C)(C)NCCCOc2cccc(C#N)c2)sc1C ZINC000129231828 1018975889 /nfs/dbraw/zinc/97/58/89/1018975889.db2.gz FVJNRPXBDKVGNF-UHFFFAOYSA-N 0 3 329.469 3.925 20 30 EHEDHN COC(=O)C(C)(C)[C@H](NCc1ccc(C#N)cc1C)c1ccccc1 ZINC000614407630 1018999538 /nfs/dbraw/zinc/99/95/38/1018999538.db2.gz UBQKQICMZAQPBC-LJQANCHMSA-N 0 3 336.435 3.897 20 30 EHEDHN CC[C@@H](NCc1cc(C#N)ccc1Br)[C@H]1CCCCO1 ZINC000594040128 1032861429 /nfs/dbraw/zinc/86/14/29/1032861429.db2.gz DJKHCTXNNCKEIM-HZPDHXFCSA-N 0 3 337.261 3.758 20 30 EHEDHN C=C[C@](C)(CC)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473534023 1019940319 /nfs/dbraw/zinc/94/03/19/1019940319.db2.gz XVQBCPGEDKSJKY-ZBCRRDGASA-N 0 3 332.410 3.510 20 30 EHEDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O)c1ccc(C#N)cc1 ZINC000278773895 1032899560 /nfs/dbraw/zinc/89/95/60/1032899560.db2.gz PJAUAIUROXVORT-NHCUHLMSSA-N 0 3 347.462 3.709 20 30 EHEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(C)cc2Br)CCC1 ZINC000933300641 1021066049 /nfs/dbraw/zinc/06/60/49/1021066049.db2.gz BJUZCWPCBVAXEJ-CYBMUJFWSA-N 0 3 349.272 3.620 20 30 EHEDHN CC(C)CN(Cc1cnn(CC(F)F)c1)Cc1ccc(C#N)cc1 ZINC000507421359 1021250452 /nfs/dbraw/zinc/25/04/52/1021250452.db2.gz DZSAIOATVQHCRP-UHFFFAOYSA-N 0 3 332.398 3.678 20 30 EHEDHN CC(C)(C#N)CCCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625801850 1021464054 /nfs/dbraw/zinc/46/40/54/1021464054.db2.gz ZWIGYHPDUFAIFG-HXUWFJFHSA-N 0 3 326.440 3.816 20 30 EHEDHN C=CCC[C@@H](NCc1cccc(CN2CCOCC2)c1)c1ccco1 ZINC000276484230 1021465513 /nfs/dbraw/zinc/46/55/13/1021465513.db2.gz SNTBUYNZKRCBOU-HXUWFJFHSA-N 0 3 340.467 3.909 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H]3CCC[C@H]32)ccc1Cl ZINC000426471267 1021657622 /nfs/dbraw/zinc/65/76/22/1021657622.db2.gz VZYVYDXQJCTKTR-MAUKXSAKSA-N 0 3 345.874 3.770 20 30 EHEDHN CCOc1ccc2c(c1)[C@H](N[C@@H](C)CC1(C#N)CCOCC1)CCO2 ZINC000602616398 1033011287 /nfs/dbraw/zinc/01/12/87/1033011287.db2.gz NYCMIOPJJSWDDI-MAUKXSAKSA-N 0 3 344.455 3.597 20 30 EHEDHN N#Cc1cccc(CNCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)n1 ZINC000602628278 1033041655 /nfs/dbraw/zinc/04/16/55/1033041655.db2.gz WKKVYAULMZMKKJ-UHFFFAOYSA-N 0 3 349.331 3.933 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2C(C)C)c1C ZINC000143289015 1033042602 /nfs/dbraw/zinc/04/26/02/1033042602.db2.gz FEMROZPQSPMPCI-GOSISDBHSA-N 0 3 327.472 3.671 20 30 EHEDHN CC(C)(C)C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000341585835 1022415102 /nfs/dbraw/zinc/41/51/02/1022415102.db2.gz ASMOMFGEVJBLEN-FXAWDEMLSA-N 0 3 327.472 3.562 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H](O)C2CCCCC2)C1 ZINC000328606205 1022450053 /nfs/dbraw/zinc/45/00/53/1022450053.db2.gz KFWBNQZKIFDVPT-MNEFBYGVSA-N 0 3 330.472 3.720 20 30 EHEDHN CC(=O)N1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)c2ccccc21 ZINC000328799781 1022503384 /nfs/dbraw/zinc/50/33/84/1022503384.db2.gz HQBZUKUXYOOUFA-QAPCUYQASA-N 0 3 343.471 3.705 20 30 EHEDHN CC1CCN(CCNC(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000330451425 1022584348 /nfs/dbraw/zinc/58/43/48/1022584348.db2.gz KFLSBVUJGPSYDQ-UHFFFAOYSA-N 0 3 330.259 3.612 20 30 EHEDHN C=CC(C)(C)CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000458985679 1022990037 /nfs/dbraw/zinc/99/00/37/1022990037.db2.gz IPCDLTFQWSEQRH-UHFFFAOYSA-N 0 3 329.488 3.505 20 30 EHEDHN CC(C)(C#N)c1ccc(CN2CC[C@H](OCc3ccccn3)C2)cc1 ZINC000602716055 1033102112 /nfs/dbraw/zinc/10/21/12/1033102112.db2.gz RHETXWLQELFIJC-FQEVSTJZSA-N 0 3 335.451 3.674 20 30 EHEDHN N#CC(C(=O)c1cccc(C(F)F)c1F)c1nnc2n1CCCCC2 ZINC000528929555 1033106424 /nfs/dbraw/zinc/10/64/24/1033106424.db2.gz SRLMJEKSHPAVAZ-LBPRGKRZSA-N 0 3 348.328 3.571 20 30 EHEDHN COCCOc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341761043 1023277633 /nfs/dbraw/zinc/27/76/33/1023277633.db2.gz NYLTVCFVKUTAFO-NRFANRHFSA-N 0 3 336.435 3.751 20 30 EHEDHN N#Cc1ccccc1N1CCCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000468151110 1023612979 /nfs/dbraw/zinc/61/29/79/1023612979.db2.gz WMTYCWMDMUQKSC-NRFANRHFSA-N 0 3 335.426 3.897 20 30 EHEDHN N#Cc1ccc(CN2CCC3(CCOCC3)CC2)c(OC(F)F)c1 ZINC000341999968 1023750232 /nfs/dbraw/zinc/75/02/32/1023750232.db2.gz WDXXGPMIOWTCQV-UHFFFAOYSA-N 0 3 336.382 3.552 20 30 EHEDHN CC(C)C[C@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000342070923 1023827266 /nfs/dbraw/zinc/82/72/66/1023827266.db2.gz CALRFFMKMBYBTK-IAGOWNOFSA-N 0 3 345.462 3.829 20 30 EHEDHN C=CCN1CCC(NC(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000277154567 1023890486 /nfs/dbraw/zinc/89/04/86/1023890486.db2.gz BJPRXSCQUGOURI-UHFFFAOYSA-N 0 3 331.218 3.513 20 30 EHEDHN N#CCC1(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000602800274 1033172589 /nfs/dbraw/zinc/17/25/89/1033172589.db2.gz GXBNHSYITVRYHQ-MRXNPFEDSA-N 0 3 327.476 3.726 20 30 EHEDHN N#Cc1cc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)ccn1 ZINC000610991466 1023961936 /nfs/dbraw/zinc/96/19/36/1023961936.db2.gz NMJNZXZCSZDVFK-UHFFFAOYSA-N 0 3 335.407 3.627 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C#N)c(F)c1 ZINC000346062800 1024081980 /nfs/dbraw/zinc/08/19/80/1024081980.db2.gz HGIIUVYANDQECU-UONOGXRCSA-N 0 3 335.386 3.690 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434901476 1024492422 /nfs/dbraw/zinc/49/24/22/1024492422.db2.gz WDVLYWKAOCFZBP-YRNRMSPPSA-N 0 3 333.435 3.763 20 30 EHEDHN COCCOc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000346205690 1024528812 /nfs/dbraw/zinc/52/88/12/1024528812.db2.gz VEIBAMCXATUCEZ-AWEZNQCLSA-N 0 3 328.387 3.573 20 30 EHEDHN N#Cc1cccc(OC2CCN(C[C@@H]3CC3(Cl)Cl)CC2)c1 ZINC000729543340 1024578243 /nfs/dbraw/zinc/57/82/43/1024578243.db2.gz PEMSEQRGMMOPKE-ZDUSSCGKSA-N 0 3 325.239 3.595 20 30 EHEDHN CCCC[C@@H](CC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000463587778 1024757346 /nfs/dbraw/zinc/75/73/46/1024757346.db2.gz UDNGURNBMHRDGC-LJQANCHMSA-N 0 3 329.488 3.665 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)sc(=O)n2C ZINC000425367352 1024877375 /nfs/dbraw/zinc/87/73/75/1024877375.db2.gz SOJOPZNKKRPLIN-ZDUSSCGKSA-N 0 3 337.448 3.665 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000895835172 1024900336 /nfs/dbraw/zinc/90/03/36/1024900336.db2.gz BCDSMIKNMJQEOZ-UHFFFAOYSA-N 0 3 338.451 3.564 20 30 EHEDHN C=CCC(C)(C)C(=O)N1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001269976928 1024980872 /nfs/dbraw/zinc/98/08/72/1024980872.db2.gz DZWWLPYKRWZMDC-NRFANRHFSA-N 0 3 343.515 3.822 20 30 EHEDHN CN(CCOc1ccc(C#N)cc1)Cc1ccccc1N1CCCC1 ZINC000015574015 1025067448 /nfs/dbraw/zinc/06/74/48/1025067448.db2.gz CTBDSBLEPIQPBU-UHFFFAOYSA-N 0 3 335.451 3.669 20 30 EHEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000342410392 1025256940 /nfs/dbraw/zinc/25/69/40/1025256940.db2.gz KIABNGHMIDRWKK-RXVVDRJESA-N 0 3 349.478 3.711 20 30 EHEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000521197223 1025268418 /nfs/dbraw/zinc/26/84/18/1025268418.db2.gz AJLAYEZXJZSROP-SFHVURJKSA-N 0 3 327.472 3.802 20 30 EHEDHN COc1cc(CN[C@H](C)c2cc(OC)c(OC)cc2C)ccc1C#N ZINC000281761381 1025451902 /nfs/dbraw/zinc/45/19/02/1025451902.db2.gz RQSXLJKRBTWXKZ-CQSZACIVSA-N 0 3 340.423 3.743 20 30 EHEDHN COc1cc(CN(C)CCCOc2ccc(F)cc2)ccc1C#N ZINC000442793903 1025489549 /nfs/dbraw/zinc/48/95/49/1025489549.db2.gz BUUXKEOPYBSOFJ-UHFFFAOYSA-N 0 3 328.387 3.607 20 30 EHEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)nc1 ZINC000896660915 1025800644 /nfs/dbraw/zinc/80/06/44/1025800644.db2.gz VJHCMXWGJJVXHI-LJQANCHMSA-N 0 3 343.434 3.578 20 30 EHEDHN C=CCCn1cc(CNC[C@H](Cc2ccccc2)c2ccccc2)nn1 ZINC000657389883 1025818041 /nfs/dbraw/zinc/81/80/41/1025818041.db2.gz PHSPWYMXNFGYFQ-NRFANRHFSA-N 0 3 346.478 3.970 20 30 EHEDHN C[C@@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(C#N)cc1F ZINC000611587626 1025919296 /nfs/dbraw/zinc/91/92/96/1025919296.db2.gz GUQTZZXUEOMXGQ-DOMZBBRYSA-N 0 3 345.368 3.905 20 30 EHEDHN Cc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2C)N(C)C)cc1 ZINC000178571832 1026020023 /nfs/dbraw/zinc/02/00/23/1026020023.db2.gz OXAGYJADYWFSEP-LJQANCHMSA-N 0 3 336.439 3.600 20 30 EHEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000329576012 1026023610 /nfs/dbraw/zinc/02/36/10/1026023610.db2.gz OEQZVXATDXJBFJ-LAPQFRIASA-N 0 3 344.455 3.738 20 30 EHEDHN CC[C@@H]1CCCC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000475322427 1026464840 /nfs/dbraw/zinc/46/48/40/1026464840.db2.gz OVVWGWCVDBPPRS-WOJBJXKFSA-N 0 3 341.499 3.665 20 30 EHEDHN Cc1cccc([C@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000452088819 1026484959 /nfs/dbraw/zinc/48/49/59/1026484959.db2.gz PFMVMEURBYROIM-ZWKOTPCHSA-N 0 3 335.451 3.981 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000684929502 1026687514 /nfs/dbraw/zinc/68/75/14/1026687514.db2.gz MHKSYRAJMKSUPJ-MJGOQNOKSA-N 0 3 329.488 3.647 20 30 EHEDHN COc1cc(CNCCCC#N)ccc1OCc1ccc(F)cc1 ZINC000273114429 1027274341 /nfs/dbraw/zinc/27/43/41/1027274341.db2.gz YFOKNIHXNZYWKI-UHFFFAOYSA-N 0 3 328.387 3.807 20 30 EHEDHN N#CCCCOc1cccc(CN2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000414482771 1027937300 /nfs/dbraw/zinc/93/73/00/1027937300.db2.gz GNXLJEGUKQKIQJ-CTNGQTDRSA-N 0 3 336.435 3.677 20 30 EHEDHN C#CCOc1ccc(CNCc2cccc(NC(=O)C3CCC3)c2)cc1 ZINC000113317803 1027960676 /nfs/dbraw/zinc/96/06/76/1027960676.db2.gz VQRHJSPMSJTPPM-UHFFFAOYSA-N 0 3 348.446 3.727 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](C(C)C)C2)c1C ZINC000444764023 1028248638 /nfs/dbraw/zinc/24/86/38/1028248638.db2.gz ACEJMKGWRUYEGF-LJQANCHMSA-N 0 3 341.499 3.918 20 30 EHEDHN Cc1oc(NC(=O)CN(C2CC2)C2CCC(C)CC2)c(C#N)c1C ZINC000178716355 1028330707 /nfs/dbraw/zinc/33/07/07/1028330707.db2.gz PCDIWEMKGSPCQQ-UHFFFAOYSA-N 0 3 329.444 3.750 20 30 EHEDHN C=CCN(Cc1ccc(-n2ccnc2)cc1)Cc1cccc(C#N)c1 ZINC000072073504 1028498793 /nfs/dbraw/zinc/49/87/93/1028498793.db2.gz MBVFHYPQHHUTED-UHFFFAOYSA-N 0 3 328.419 3.932 20 30 EHEDHN COc1ccc(CNCc2cccc(OCCCC#N)c2)cc1OC ZINC000237244073 1028630785 /nfs/dbraw/zinc/63/07/85/1028630785.db2.gz GGQFLJQNWHWRER-UHFFFAOYSA-N 0 3 340.423 3.676 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ccco1 ZINC000246791114 1028691695 /nfs/dbraw/zinc/69/16/95/1028691695.db2.gz AJMZXCVSCDOPBZ-ROUUACIJSA-N 0 3 327.424 3.585 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000424066892 1028774104 /nfs/dbraw/zinc/77/41/04/1028774104.db2.gz OGJIJKUTWFSJIA-ZWKOTPCHSA-N 0 3 341.842 3.567 20 30 EHEDHN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](N)CCCC#N ZINC000424086945 1028791477 /nfs/dbraw/zinc/79/14/77/1028791477.db2.gz COVBGFYODDDOEC-OAHLLOKOSA-N 0 3 342.270 3.752 20 30 EHEDHN C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424097720 1028800627 /nfs/dbraw/zinc/80/06/27/1028800627.db2.gz BIYZMCVPTFISRR-QRWLVFNGSA-N 0 3 335.451 3.913 20 30 EHEDHN CC(C)(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424134197 1028849849 /nfs/dbraw/zinc/84/98/49/1028849849.db2.gz YBPKJAFMXUNPQB-CVEARBPZSA-N 0 3 335.879 3.955 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000067706076 1029202981 /nfs/dbraw/zinc/20/29/81/1029202981.db2.gz BBZYRHMQZLWUFD-UHFFFAOYSA-N 0 3 334.419 3.763 20 30 EHEDHN CCc1nc(C)c([C@@H](C)N(C)CCOc2ccc(C#N)cc2)s1 ZINC000121968899 1029568575 /nfs/dbraw/zinc/56/85/75/1029568575.db2.gz IMWFIIROAHXQFN-CQSZACIVSA-N 0 3 329.469 3.957 20 30 EHEDHN C=CC1CCN(CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)CC1 ZINC000533287316 1029577093 /nfs/dbraw/zinc/57/70/93/1029577093.db2.gz XLVPWLYSKXFCDH-HXUWFJFHSA-N 0 3 342.483 3.647 20 30 EHEDHN C=CCOc1cccc(CN2CCC(Oc3ccncc3C)CC2)c1 ZINC000447074187 1029922931 /nfs/dbraw/zinc/92/29/31/1029922931.db2.gz DARUDYIEOASRBO-UHFFFAOYSA-N 0 3 338.451 3.998 20 30 EHEDHN Cc1ncccc1NC(=O)[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000453415942 1030232048 /nfs/dbraw/zinc/23/20/48/1030232048.db2.gz BOAGKGYTWUOIML-MGPUTAFESA-N 0 3 348.450 3.646 20 30 EHEDHN C=CCOc1ccc(CN(Cc2cnn(C)c2)CC(C)C)cc1OC ZINC000453620657 1030410947 /nfs/dbraw/zinc/41/09/47/1030410947.db2.gz MDHHZBJEQKHJCX-UHFFFAOYSA-N 0 3 343.471 3.652 20 30 EHEDHN C[C@H]1[C@H](C)N(Cc2cccc(OCc3cccc(C#N)c3)c2)CCN1C ZINC000482509369 1030490214 /nfs/dbraw/zinc/49/02/14/1030490214.db2.gz NJXWSRLKWMRJGX-ROUUACIJSA-N 0 3 349.478 3.662 20 30 EHEDHN CCSCC[C@@H](C)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447884934 1030564584 /nfs/dbraw/zinc/56/45/84/1030564584.db2.gz BGGGUWBTUJEKQP-QAPCUYQASA-N 0 3 345.512 3.517 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000160233214 1030606127 /nfs/dbraw/zinc/60/61/27/1030606127.db2.gz SUNDCCRHMDMSAV-VFNWGFHPSA-N 0 3 333.435 3.693 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccccc2-n2cccn2)cc1 ZINC000172117072 1030836376 /nfs/dbraw/zinc/83/63/76/1030836376.db2.gz DYTDPWZPFPCPAK-UHFFFAOYSA-N 0 3 331.419 3.564 20 30 EHEDHN C=C(C)[C@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000583947557 1031186942 /nfs/dbraw/zinc/18/69/42/1031186942.db2.gz VOBKROIPEBTRGN-APWZRJJASA-N 0 3 335.369 3.914 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)nn2CCCCC)CC1 ZINC000483513726 1031204266 /nfs/dbraw/zinc/20/42/66/1031204266.db2.gz FPRHIXIMEOUUJW-UHFFFAOYSA-N 0 3 347.507 3.544 20 30 EHEDHN CN1CC[C@@H](NCC#Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000583963525 1031227977 /nfs/dbraw/zinc/22/79/77/1031227977.db2.gz OWXYPGANTXPKKY-WOJBJXKFSA-N 0 3 342.845 3.866 20 30 EHEDHN N#Cc1ccc(OCCN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000477486012 1031589185 /nfs/dbraw/zinc/58/91/85/1031589185.db2.gz ANHLAOWGJKPFJT-GOSISDBHSA-N 0 3 336.391 3.503 20 30 EHEDHN Cc1ccccc1[C@H](C)N(CC(=O)N[C@](C)(C#N)C1CC1)CC(C)C ZINC000551723258 1031602642 /nfs/dbraw/zinc/60/26/42/1031602642.db2.gz ZARVEMGNNRXMDU-LAUBAEHRSA-N 0 3 341.499 3.823 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475737152 1031717809 /nfs/dbraw/zinc/71/78/09/1031717809.db2.gz CNSCIVZFQCWBKZ-YZVOILCLSA-N 0 3 349.906 3.818 20 30 EHEDHN COc1ccc([C@H](NC[C@H](O)CC(C)(C)C#N)c2ccccc2)cc1 ZINC000598625539 1033356149 /nfs/dbraw/zinc/35/61/49/1033356149.db2.gz RIAGFWRFLMEJAV-UYAOXDASSA-N 0 3 338.451 3.675 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000594433753 1033370542 /nfs/dbraw/zinc/37/05/42/1033370542.db2.gz SBFWHRIAVWKRHP-HNNXBMFYSA-N 0 3 339.443 3.501 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000594446868 1033378157 /nfs/dbraw/zinc/37/81/57/1033378157.db2.gz YNAUJEIGPHLFIP-LJQANCHMSA-N 0 3 345.462 3.551 20 30 EHEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cccc(Cl)c1Cl ZINC000594448075 1033379319 /nfs/dbraw/zinc/37/93/19/1033379319.db2.gz ZUDRWRPYPZWQFM-GWCFXTLKSA-N 0 3 328.243 3.582 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000594443094 1033379344 /nfs/dbraw/zinc/37/93/44/1033379344.db2.gz LFEBPFRXWXYMDG-HNNXBMFYSA-N 0 3 349.862 3.869 20 30 EHEDHN CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594456901 1033382270 /nfs/dbraw/zinc/38/22/70/1033382270.db2.gz UYRDGDNNYWVLTO-MSOLQXFVSA-N 0 3 327.472 3.618 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000594426560 1033389177 /nfs/dbraw/zinc/38/91/77/1033389177.db2.gz FBAXTMGMWQWQLF-RTWAWAEBSA-N 0 3 349.478 3.888 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000594427772 1033390122 /nfs/dbraw/zinc/39/01/22/1033390122.db2.gz WKFOHMFLLHJRTR-RDJZCZTQSA-N 0 3 345.443 3.504 20 30 EHEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000594518340 1033425270 /nfs/dbraw/zinc/42/52/70/1033425270.db2.gz PESLWCXNJNONBK-INIZCTEOSA-N 0 3 347.462 3.990 20 30 EHEDHN N#CC1(c2ccc(CNCc3ccc(OCC4CC4)nc3)cc2)CC1 ZINC000594927496 1033548534 /nfs/dbraw/zinc/54/85/34/1033548534.db2.gz RKOIWECEYKEKSI-UHFFFAOYSA-N 0 3 333.435 3.715 20 30 EHEDHN C[C@@H]1C[C@H](NCc2ccc(C3(C#N)CC3)cc2)C(=O)N1c1ccccc1 ZINC000594929599 1033552100 /nfs/dbraw/zinc/55/21/00/1033552100.db2.gz KXKXZKSHXYKARE-UZLBHIALSA-N 0 3 345.446 3.525 20 30 EHEDHN C[C@H]1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)C(=O)N1c1ccccc1 ZINC000594929597 1033552336 /nfs/dbraw/zinc/55/23/36/1033552336.db2.gz KXKXZKSHXYKARE-OXJNMPFZSA-N 0 3 345.446 3.525 20 30 EHEDHN N#Cc1ccc(C2(NCc3ccc(O[C@@H]4CCOC4)cc3)CCC2)cc1 ZINC000594951362 1033592854 /nfs/dbraw/zinc/59/28/54/1033592854.db2.gz QZLMTDYTTVIUMG-OAQYLSRUSA-N 0 3 348.446 3.895 20 30 EHEDHN CCN(Cc1cc(C#N)ccc1F)[C@H](COC)Cc1ccccc1 ZINC000472347764 1033690255 /nfs/dbraw/zinc/69/02/55/1033690255.db2.gz JDZQKGJBAIGXEH-IBGZPJMESA-N 0 3 326.415 3.777 20 30 EHEDHN C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000595259923 1033723419 /nfs/dbraw/zinc/72/34/19/1033723419.db2.gz QNIATDGWELOBSA-RXVVDRJESA-N 0 3 349.478 3.668 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cc(C)cc(C#N)c1)c1ccco1 ZINC000455959062 1033744666 /nfs/dbraw/zinc/74/46/66/1033744666.db2.gz SZVXXDBHBATSLO-YOEHRIQHSA-N 0 3 340.427 3.711 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000658059346 1033873062 /nfs/dbraw/zinc/87/30/62/1033873062.db2.gz IHEQTBZOQDRMHF-KBRIMQKVSA-N 0 3 337.460 3.769 20 30 EHEDHN N#Cc1cccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000609018038 1033979692 /nfs/dbraw/zinc/97/96/92/1033979692.db2.gz NDQZILMRLPCBJG-FQEVSTJZSA-N 0 3 333.435 3.515 20 30 EHEDHN N#CCc1ccc(CN[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 ZINC000599546333 1034001998 /nfs/dbraw/zinc/00/19/98/1034001998.db2.gz YRFIVFIWXDHJNN-SJLPKXTDSA-N 0 3 346.352 3.777 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595844952 1034007308 /nfs/dbraw/zinc/00/73/08/1034007308.db2.gz JHIFRPJEVUELSX-WQVCFCJDSA-N 0 3 340.383 3.889 20 30 EHEDHN CC(C)c1cccc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000596055534 1034055293 /nfs/dbraw/zinc/05/52/93/1034055293.db2.gz WPQOOWHWJFFNRD-OAQYLSRUSA-N 0 3 347.462 3.572 20 30 EHEDHN COc1cc(OC)cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647371640 1034056108 /nfs/dbraw/zinc/05/61/08/1034056108.db2.gz VKNAEECOQYNIFL-AWEZNQCLSA-N 0 3 328.393 3.528 20 30 EHEDHN CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCN(C)C1 ZINC000596734037 1034368891 /nfs/dbraw/zinc/36/88/91/1034368891.db2.gz WNWRYPNDGJHIHF-CABCVRRESA-N 0 3 346.500 3.639 20 30 EHEDHN CC[C@@H](C)N[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])c1ccco1 ZINC000450531254 1034491335 /nfs/dbraw/zinc/49/13/35/1034491335.db2.gz SJSBLWHSLDIMBG-IUODEOHRSA-N 0 3 328.372 3.601 20 30 EHEDHN CCCNC(=O)C1(NCc2ccc(C3(C#N)CC3)cc2)CCCCC1 ZINC000597087577 1034537728 /nfs/dbraw/zinc/53/77/28/1034537728.db2.gz TZZGSQATOIPAAZ-UHFFFAOYSA-N 0 3 339.483 3.560 20 30 EHEDHN CC(C)OC(=O)C[C@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597089051 1034539256 /nfs/dbraw/zinc/53/92/56/1034539256.db2.gz SSVVXDZRUHKWBY-GOSISDBHSA-N 0 3 340.467 3.795 20 30 EHEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)c1nc2ccccc2n1C(F)F ZINC000171797154 1034634204 /nfs/dbraw/zinc/63/42/04/1034634204.db2.gz VSWMTYDOOZFHNH-STQMWFEESA-N 0 3 347.365 3.957 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(OC(F)F)cc2)cc1 ZINC000172112149 1034832878 /nfs/dbraw/zinc/83/28/78/1034832878.db2.gz ZJQLFQPINBXZLY-UHFFFAOYSA-N 0 3 331.362 3.980 20 30 EHEDHN N#CC(C(=O)C=Cc1ccco1)c1nc2ccccc2n1C(F)F ZINC000255863942 1034836492 /nfs/dbraw/zinc/83/64/92/1034836492.db2.gz KNOOGHDIHRQXHT-QDZRJHCZSA-N 0 3 327.290 3.914 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1sccc1C ZINC000060625428 1034849511 /nfs/dbraw/zinc/84/95/11/1034849511.db2.gz PWBLALRCPAIMQL-KRWDZBQOSA-N 0 3 331.481 3.657 20 30 EHEDHN C=CCNC(=O)CN(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540671206 1035543869 /nfs/dbraw/zinc/54/38/69/1035543869.db2.gz WMBKILLYDSDZFS-HZPDHXFCSA-N 0 3 340.389 3.576 20 30 EHEDHN C=CCNC(=O)CN(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540671205 1035545049 /nfs/dbraw/zinc/54/50/49/1035545049.db2.gz WMBKILLYDSDZFS-HOTGVXAUSA-N 0 3 340.389 3.576 20 30 EHEDHN C[C@@H](NC[C@@H](CO)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000588232662 1035832767 /nfs/dbraw/zinc/83/27/67/1035832767.db2.gz VLGQXLWRPNGIFR-DOMZBBRYSA-N 0 3 332.806 3.777 20 30 EHEDHN CC1(C)CCCN(CCNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000443949758 1035867299 /nfs/dbraw/zinc/86/72/99/1035867299.db2.gz SYBJVVVSOFIUFI-UHFFFAOYSA-N 0 3 326.366 3.506 20 30 EHEDHN CCCC[C@@H](CC)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000463816514 1035871455 /nfs/dbraw/zinc/87/14/55/1035871455.db2.gz TWRBRXYBIJDOIF-LJQANCHMSA-N 0 3 329.488 3.665 20 30 EHEDHN CC(C)[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCS1 ZINC000180250360 1036396622 /nfs/dbraw/zinc/39/66/22/1036396622.db2.gz BHPCKYLAQJSYPQ-SFHVURJKSA-N 0 3 340.496 3.532 20 30 EHEDHN CC(C)C[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1cccs1 ZINC000541626249 1036515407 /nfs/dbraw/zinc/51/54/07/1036515407.db2.gz VVJRBNLHFLWFJI-MPGHIAIKSA-N 0 3 335.517 3.868 20 30 EHEDHN c1ccc([C@H]2CC(=NNC[C@@H]3CCSC3)CCN2C2CC2)cc1 ZINC000841639129 1036580213 /nfs/dbraw/zinc/58/02/13/1036580213.db2.gz KTXGUTLBRLRKAR-HNAYVOBHSA-N 0 3 329.513 3.685 20 30 EHEDHN Cc1ccccc1[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000539493517 1036801204 /nfs/dbraw/zinc/80/12/04/1036801204.db2.gz MYASYFKXEFPLDV-HXUWFJFHSA-N 0 3 339.483 3.721 20 30 EHEDHN CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)N(C)C ZINC000542059287 1037020542 /nfs/dbraw/zinc/02/05/42/1037020542.db2.gz BKDBCNBUSUQKON-HRAATJIYSA-N 0 3 349.478 3.989 20 30 EHEDHN N#Cc1ccc(O[C@H]2CCN([C@@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000428795548 1037171661 /nfs/dbraw/zinc/17/16/61/1037171661.db2.gz XACKVLIRKBCYOC-PKOBYXMFSA-N 0 3 337.398 3.623 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248940421 1037223228 /nfs/dbraw/zinc/22/32/28/1037223228.db2.gz YSUWJIURSAVGLB-UZLBHIALSA-N 0 3 348.450 3.509 20 30 EHEDHN C=CCN(CC=C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000057854806 1037224561 /nfs/dbraw/zinc/22/45/61/1037224561.db2.gz DHDOZGUPMDVQOS-FQEVSTJZSA-N 0 3 341.499 3.843 20 30 EHEDHN C#CCCN1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000760831623 1037413728 /nfs/dbraw/zinc/41/37/28/1037413728.db2.gz BIJDXQFMAJWCBX-UHFFFAOYSA-N 0 3 337.398 3.851 20 30 EHEDHN CCN(CCC1CC1)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000760891001 1037604361 /nfs/dbraw/zinc/60/43/61/1037604361.db2.gz YVLLSCGBLVAIMQ-KRWDZBQOSA-N 0 3 327.472 3.752 20 30 EHEDHN CC(C)c1ccc([C@H](NCC(=O)N[C@](C)(C#N)C2CC2)C(C)C)cc1 ZINC000007804180 1037622787 /nfs/dbraw/zinc/62/27/87/1037622787.db2.gz DAONRNXCCMLAEL-NHCUHLMSSA-N 0 3 341.499 3.905 20 30 EHEDHN C=CCN1CCC(Nc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000172757714 1037635890 /nfs/dbraw/zinc/63/58/90/1037635890.db2.gz LPAGQFCGUZRORZ-UHFFFAOYSA-N 0 3 344.821 3.961 20 30 EHEDHN N#CCCC[C@H](NCc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000573825891 1037761365 /nfs/dbraw/zinc/76/13/65/1037761365.db2.gz VZSRWGMHHNQSTF-IBGZPJMESA-N 0 3 335.455 3.602 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000540375608 1037860973 /nfs/dbraw/zinc/86/09/73/1037860973.db2.gz ITFFXBVYCAYZGS-YLJYHZDGSA-N 0 3 329.488 3.808 20 30 EHEDHN N#Cc1cccc(CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)c1F ZINC000592168591 1037911761 /nfs/dbraw/zinc/91/17/61/1037911761.db2.gz SJYDHTKVCVMXFQ-VQTJNVASSA-N 0 3 338.426 3.655 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000540433580 1037954467 /nfs/dbraw/zinc/95/44/67/1037954467.db2.gz WJCJCCAVJHFSOZ-FPOVZHCZSA-N 0 3 341.499 3.952 20 30 EHEDHN N#CC[C@]1(O)CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000592521941 1038019746 /nfs/dbraw/zinc/01/97/46/1038019746.db2.gz FDGCCHOIGVGOOP-IBGZPJMESA-N 0 3 326.827 3.857 20 30 EHEDHN C[C@H]1CC2(CN1Cc1ccc(C#N)cc1C(F)(F)F)CCOCC2 ZINC000592527141 1038025662 /nfs/dbraw/zinc/02/56/62/1038025662.db2.gz LFKREELOSZZPAQ-ZDUSSCGKSA-N 0 3 338.373 3.968 20 30 EHEDHN C[C@@H](c1nc(-c2ccc(CN(C)C)cc2)no1)c1cccc(C#N)c1 ZINC000461803096 1038624254 /nfs/dbraw/zinc/62/42/54/1038624254.db2.gz WWACKRRXHPQVMK-CQSZACIVSA-N 0 3 332.407 3.822 20 30 EHEDHN CC[C@H](C)[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000539315406 1038769674 /nfs/dbraw/zinc/76/96/74/1038769674.db2.gz VDJOAJIZYVGWSB-MJXNMMHHSA-N 0 3 347.890 3.825 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2c(C)cccc2C)CC1 ZINC000545467784 1039007093 /nfs/dbraw/zinc/00/70/93/1039007093.db2.gz BNOAQAZETAGYDO-QGZVFWFLSA-N 0 3 329.488 3.704 20 30 EHEDHN N#Cc1csc(CNC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC001203209353 1039122766 /nfs/dbraw/zinc/12/27/66/1039122766.db2.gz ZZJPUCDXZNSACL-AWEZNQCLSA-N 0 3 327.236 3.750 20 30 EHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000429826447 1039319124 /nfs/dbraw/zinc/31/91/24/1039319124.db2.gz GJNWDKFDVZMASE-CYBMUJFWSA-N 0 3 341.480 3.686 20 30 EHEDHN OC[C@H](CCF)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000652019536 1039386156 /nfs/dbraw/zinc/38/61/56/1039386156.db2.gz UIXPDCPPSDCSLC-NSHDSACASA-N 0 3 333.247 3.534 20 30 EHEDHN C=CCN1CCC(NC(=O)C[C@@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000488850968 1039433841 /nfs/dbraw/zinc/43/38/41/1039433841.db2.gz IEDOBJFIMCXHSF-IRXDYDNUSA-N 0 3 326.484 3.743 20 30 EHEDHN CC(C)[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000054667659 1039446442 /nfs/dbraw/zinc/44/64/42/1039446442.db2.gz WGGRHOMITCPKTP-MSOLQXFVSA-N 0 3 335.879 3.681 20 30 EHEDHN C=CCn1cccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000489004274 1039552140 /nfs/dbraw/zinc/55/21/40/1039552140.db2.gz AZOJVYSZJHRKTQ-FQEVSTJZSA-N 0 3 337.467 3.549 20 30 EHEDHN CCc1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2)N(C)C)cc1 ZINC000096704634 1039579410 /nfs/dbraw/zinc/57/94/10/1039579410.db2.gz IIDDGYCCNAFKGA-IBGZPJMESA-N 0 3 336.439 3.545 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000249403085 1039636876 /nfs/dbraw/zinc/63/68/76/1039636876.db2.gz VSTAFWVTTXNGFJ-HKUYNNGSSA-N 0 3 347.462 3.761 20 30 EHEDHN C#CCCCCC(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000843696763 1039649315 /nfs/dbraw/zinc/64/93/15/1039649315.db2.gz ZVJNMYPFMWHZQC-HXUWFJFHSA-N 0 3 326.484 3.692 20 30 EHEDHN N#CCC[C@H](NC[C@H](O)COc1cccc2[nH]ccc21)c1ccccc1 ZINC000553054671 1039737157 /nfs/dbraw/zinc/73/71/57/1039737157.db2.gz NGIYWDFSSGIZIO-HKUYNNGSSA-N 0 3 349.434 3.542 20 30 EHEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000912192733 1039748124 /nfs/dbraw/zinc/74/81/24/1039748124.db2.gz CZIZTAZXNDRPPO-LLVKDONJSA-N 0 3 332.391 3.963 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906908965 1039807859 /nfs/dbraw/zinc/80/78/59/1039807859.db2.gz DFGQNIJFZOBQOG-LAGYLCCXSA-N 0 3 325.456 3.715 20 30 EHEDHN Cc1cc(C)cc(OC[C@H](O)CN[C@@H](CCC#N)c2ccccc2)c1 ZINC000553385288 1040038503 /nfs/dbraw/zinc/03/85/03/1040038503.db2.gz WXXYLAWQDNEVHF-CTNGQTDRSA-N 0 3 338.451 3.678 20 30 EHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000429842613 1040162258 /nfs/dbraw/zinc/16/22/58/1040162258.db2.gz HBVOEMFECGGNJF-ZDUSSCGKSA-N 0 3 341.480 3.543 20 30 EHEDHN C=C(C)[C@H](NCCc1nc(C(C)=O)c(C)[nH]1)c1ccc(F)c(F)c1 ZINC000660311417 1040315745 /nfs/dbraw/zinc/31/57/45/1040315745.db2.gz HSLVREGKGXJTNT-KRWDZBQOSA-N 0 3 333.382 3.648 20 30 EHEDHN CC(C)(C#N)c1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000614176690 1040383209 /nfs/dbraw/zinc/38/32/09/1040383209.db2.gz PHUFUGDMSCBGAE-UHFFFAOYSA-N 0 3 330.435 3.963 20 30 EHEDHN CC(C)[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000029197465 1040392103 /nfs/dbraw/zinc/39/21/03/1040392103.db2.gz SCBOWGZWCWQQFR-FUHWJXTLSA-N 0 3 327.472 3.704 20 30 EHEDHN CC(C)C[C@@H](C)N(C)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433012400 1040448320 /nfs/dbraw/zinc/44/83/20/1040448320.db2.gz SHVNWSFNGDRNHV-MJGOQNOKSA-N 0 3 329.488 3.904 20 30 EHEDHN C[C@H](C1CC1)N(C(=O)CN[C@H](CCCC#N)c1ccccc1)C1CC1 ZINC000433012903 1040469533 /nfs/dbraw/zinc/46/95/33/1040469533.db2.gz MDLFTEPRQWSOIZ-OXQOHEQNSA-N 0 3 339.483 3.801 20 30 EHEDHN Cc1cccc(CNC(=O)CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433040986 1040528216 /nfs/dbraw/zinc/52/82/16/1040528216.db2.gz UIRFIMMMZXPRES-FQEVSTJZSA-N 0 3 335.451 3.636 20 30 EHEDHN C[C@@H](CN(Cc1cc(C#N)ccc1F)[C@@H](C)CO)c1ccccc1 ZINC000553936549 1040590448 /nfs/dbraw/zinc/59/04/48/1040590448.db2.gz XDYXWNRTCKAZQS-HOTGVXAUSA-N 0 3 326.415 3.684 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H](c2ccccc2F)C1 ZINC000555583010 1040877537 /nfs/dbraw/zinc/87/75/37/1040877537.db2.gz MJMHYBUVCNZIMX-CQSZACIVSA-N 0 3 343.427 3.577 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(F)ccc(Br)c1F ZINC000500378306 1041277125 /nfs/dbraw/zinc/27/71/25/1041277125.db2.gz RJPNOTUVWOHAEK-BONVTDFDSA-N 0 3 346.215 3.798 20 30 EHEDHN N#CCCC1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000571405567 1041286361 /nfs/dbraw/zinc/28/63/61/1041286361.db2.gz JLEMHXZHTQNBIE-UHFFFAOYSA-N 0 3 339.483 3.828 20 30 EHEDHN N#Cc1ccc(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000511876079 1041816502 /nfs/dbraw/zinc/81/65/02/1041816502.db2.gz RBQHAOUSNSRSDG-PWRODBHTSA-N 0 3 345.446 3.765 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](CCF)C1 ZINC000661692489 1042232600 /nfs/dbraw/zinc/23/26/00/1042232600.db2.gz OEHWMURGFNEVTA-CVEARBPZSA-N 0 3 338.492 3.723 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652195985 1042266637 /nfs/dbraw/zinc/26/66/37/1042266637.db2.gz CCUAARFUVFALTG-QMMLZNLJSA-N 0 3 338.451 3.750 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C[C@H]1CC=CCC1 ZINC000344066077 1043201243 /nfs/dbraw/zinc/20/12/43/1043201243.db2.gz PJHOAMMABCVQLX-SJORKVTESA-N 0 3 343.446 3.749 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000344459370 1044033246 /nfs/dbraw/zinc/03/32/46/1044033246.db2.gz WNYYIWJJHLEVEZ-OXJNMPFZSA-N 0 3 348.450 3.651 20 30 EHEDHN C=CCOc1cccc(CNCc2ccc(NC(=O)N(C)C)cc2)c1 ZINC000279808300 1044681640 /nfs/dbraw/zinc/68/16/40/1044681640.db2.gz AHDKEPHHVFVGFK-UHFFFAOYSA-N 0 3 339.439 3.635 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000073012068 1126975360 /nfs/dbraw/zinc/97/53/60/1126975360.db2.gz YFEOJQPHRVNXIW-QGZVFWFLSA-N 0 3 341.430 3.862 20 30 EHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000623996646 1127229120 /nfs/dbraw/zinc/22/91/20/1127229120.db2.gz NEDTULIKFBWFMJ-UWVGGRQHSA-N 0 3 334.204 3.705 20 30 EHEDHN CC(C)(C)[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1cccc(F)c1 ZINC000181072219 1127265631 /nfs/dbraw/zinc/26/56/31/1127265631.db2.gz OHBUFLQFEVLIRO-SFHVURJKSA-N 0 3 345.462 3.845 20 30 EHEDHN C=CCN1CCC(NC(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183101344 1127363113 /nfs/dbraw/zinc/36/31/13/1127363113.db2.gz YXUISPDLCIRSKP-UHFFFAOYSA-N 0 3 332.410 3.512 20 30 EHEDHN C=CC[C@H](CO)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000184271980 1127400356 /nfs/dbraw/zinc/40/03/56/1127400356.db2.gz JSVBXMRDVRQZMK-CQSZACIVSA-N 0 3 325.330 3.992 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)c2ccccc2F)CC1 ZINC000654431682 1127426440 /nfs/dbraw/zinc/42/64/40/1127426440.db2.gz XEIHGOFIJXRQCH-GOSISDBHSA-N 0 3 333.451 3.617 20 30 EHEDHN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000764887797 1127546291 /nfs/dbraw/zinc/54/62/91/1127546291.db2.gz HDEITKIRJFKJIU-DLMAHONUSA-N 0 3 328.843 3.985 20 30 EHEDHN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000764887797 1127546294 /nfs/dbraw/zinc/54/62/94/1127546294.db2.gz HDEITKIRJFKJIU-DLMAHONUSA-N 0 3 328.843 3.985 20 30 EHEDHN C[C@@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)N1C ZINC000552124919 1127609145 /nfs/dbraw/zinc/60/91/45/1127609145.db2.gz YBVHOYAJJAHLRS-HDICACEKSA-N 0 3 349.478 3.662 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(CN2CCCC2=O)cc1 ZINC000921575399 1127755403 /nfs/dbraw/zinc/75/54/03/1127755403.db2.gz SRRHQLUETPIUGK-UHFFFAOYSA-N 0 3 347.462 3.587 20 30 EHEDHN C=CCN1CCC(NC(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000172349812 1127908077 /nfs/dbraw/zinc/90/80/77/1127908077.db2.gz LFHWSYOBTFWAOO-UHFFFAOYSA-N 0 3 332.513 3.717 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccccc2C)CC1 ZINC000106275252 1128488474 /nfs/dbraw/zinc/48/84/74/1128488474.db2.gz VDZKUSJXZSPTNA-FQEVSTJZSA-N 0 3 341.499 3.882 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000106275099 1128488548 /nfs/dbraw/zinc/48/85/48/1128488548.db2.gz WFAQOYROZFSLQZ-IBGZPJMESA-N 0 3 345.462 3.713 20 30 EHEDHN CN(C)[C@@H](CNc1nc2c(cc1C#N)CCCC2)c1cccs1 ZINC000301113395 1128573624 /nfs/dbraw/zinc/57/36/24/1128573624.db2.gz XHBDLAIRKRWBPM-INIZCTEOSA-N 0 3 326.469 3.608 20 30 EHEDHN N#Cc1ccc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000301250492 1128580671 /nfs/dbraw/zinc/58/06/71/1128580671.db2.gz CZZCGHJPGQTPQA-MRXNPFEDSA-N 0 3 346.356 3.658 20 30 EHEDHN N#Cc1cccc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000301298898 1128582726 /nfs/dbraw/zinc/58/27/26/1128582726.db2.gz ZJGWXBDVIGBPCC-MRXNPFEDSA-N 0 3 346.356 3.658 20 30 EHEDHN N#Cc1ccc(CN2CCCN(c3ccnc4ccsc43)CC2)cc1 ZINC000301353876 1128587365 /nfs/dbraw/zinc/58/73/65/1128587365.db2.gz LERPJTXXJMWIEF-UHFFFAOYSA-N 0 3 348.475 3.880 20 30 EHEDHN CN(C)[C@@H](CNc1c(C#N)cnc2ccccc21)c1cccc(F)c1 ZINC000301368821 1128587772 /nfs/dbraw/zinc/58/77/72/1128587772.db2.gz UCXRMUNUPVNRPQ-IBGZPJMESA-N 0 3 334.398 3.960 20 30 EHEDHN Cc1ccc(C#N)c(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)n1 ZINC000302226233 1128627597 /nfs/dbraw/zinc/62/75/97/1128627597.db2.gz SLKMVFFSLAFPLZ-MRXNPFEDSA-N 0 3 348.372 3.995 20 30 EHEDHN COc1ccccc1[C@H](CNc1ccc(C)c(C#N)n1)N1CCCC1 ZINC000302611342 1128638848 /nfs/dbraw/zinc/63/88/48/1128638848.db2.gz BTIFUKDKIPLXHQ-SFHVURJKSA-N 0 3 336.439 3.519 20 30 EHEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000007547362 1128872638 /nfs/dbraw/zinc/87/26/38/1128872638.db2.gz CZZKXGAXTBLJNW-IFXJQAMLSA-N 0 3 337.423 3.635 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CCC(C)(C)CC1 ZINC000494841932 1120882142 /nfs/dbraw/zinc/88/21/42/1120882142.db2.gz JAFLLRZPSMAZBE-UHFFFAOYSA-N 0 3 341.499 3.665 20 30 EHEDHN C[C@@H](CC(=O)Nc1cccc(F)c1)NC1(c2cccc(C#N)c2)CC1 ZINC000272294134 1121513969 /nfs/dbraw/zinc/51/39/69/1121513969.db2.gz QHXKANGYAXDLRE-AWEZNQCLSA-N 0 3 337.398 3.693 20 30 EHEDHN Cc1ccc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)cc1C#N ZINC001128251590 1128991723 /nfs/dbraw/zinc/99/17/23/1128991723.db2.gz QLIIWLMWUJGZLK-NRFANRHFSA-N 0 3 349.478 3.753 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)CC2CCC2)CC1 ZINC000171741809 1121699814 /nfs/dbraw/zinc/69/98/14/1121699814.db2.gz UMMDPJUPRSKBHP-UHFFFAOYSA-N 0 3 341.499 3.649 20 30 EHEDHN Cn1cc(CN2CCC[C@@H]2c2ccncc2)c(-c2ccc(C#N)cc2)n1 ZINC000272766433 1122156438 /nfs/dbraw/zinc/15/64/38/1122156438.db2.gz AEXQMEYOUHSLEP-HXUWFJFHSA-N 0 3 343.434 3.691 20 30 EHEDHN CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000497049116 1122254428 /nfs/dbraw/zinc/25/44/28/1122254428.db2.gz XEVYLZHIEFXGIN-CQSZACIVSA-N 0 3 349.500 3.747 20 30 EHEDHN C=C[C@H](CC(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC000124782503 1122295314 /nfs/dbraw/zinc/29/53/14/1122295314.db2.gz NPZNBFZRPANHEZ-CTNGQTDRSA-N 0 3 336.479 3.635 20 30 EHEDHN Cc1ccc(SCC(=O)C(C#N)C(=O)NC2CCCCC2)c(C)c1 ZINC000916893977 1122377400 /nfs/dbraw/zinc/37/74/00/1122377400.db2.gz OAHCTCJNRLNMBO-INIZCTEOSA-N 0 3 344.480 3.553 20 30 EHEDHN Cc1nc(C(C)C)sc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000916900707 1122382187 /nfs/dbraw/zinc/38/21/87/1122382187.db2.gz VKARDFIOYDGRKR-CYBMUJFWSA-N 0 3 327.409 3.536 20 30 EHEDHN CC[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000917103825 1122502290 /nfs/dbraw/zinc/50/22/90/1122502290.db2.gz RGDAUGBWUCKLTQ-ZIAGYGMSSA-N 0 3 327.453 3.595 20 30 EHEDHN C=CCN1CC[C@H](N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)C1=O ZINC000499605268 1129073243 /nfs/dbraw/zinc/07/32/43/1129073243.db2.gz IXYAGHYAMIKREE-HOTGVXAUSA-N 0 3 340.389 3.779 20 30 EHEDHN C[C@H]1C[C@H](c2ccccc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000556629012 1123065605 /nfs/dbraw/zinc/06/56/05/1123065605.db2.gz NLQZDJINRMSGKQ-QFBILLFUSA-N 0 3 330.435 3.974 20 30 EHEDHN COCCCOc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000922123504 1129130344 /nfs/dbraw/zinc/13/03/44/1129130344.db2.gz WTRGUMKEBXQMIP-UHFFFAOYSA-N 0 3 338.451 3.880 20 30 EHEDHN N#Cc1ccc(N2CCC[C@H](Nc3ccnc4ccccc43)C2)c(F)c1 ZINC000609511672 1123603135 /nfs/dbraw/zinc/60/31/35/1123603135.db2.gz JJWKNSAZLUOXMW-INIZCTEOSA-N 0 3 346.409 3.748 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cncc(-c3ccc(C)cc3)c2)CC1 ZINC000135400686 1123608836 /nfs/dbraw/zinc/60/88/36/1123608836.db2.gz CVZGMHLRNITWAB-UHFFFAOYSA-N 0 3 349.478 3.827 20 30 EHEDHN Cc1ccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000609627441 1123628843 /nfs/dbraw/zinc/62/88/43/1123628843.db2.gz WNEGILMYQYDCRG-ZDUSSCGKSA-N 0 3 325.368 3.990 20 30 EHEDHN Cc1ccc(F)c(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000609740945 1123654644 /nfs/dbraw/zinc/65/46/44/1123654644.db2.gz FBOYYTUBSDDLLD-QGZVFWFLSA-N 0 3 341.405 3.904 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000616022503 1123926338 /nfs/dbraw/zinc/92/63/38/1123926338.db2.gz IFWPESBSJPFNIA-BEFAXECRSA-N 0 3 342.870 3.904 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCCc3nc(C)ncc32)c([O-])c1 ZINC000734752242 1131271375 /nfs/dbraw/zinc/27/13/75/1131271375.db2.gz CCCFHIUSOMQJFJ-AIRTYWKNSA-N 0 3 338.455 3.833 20 30 EHEDHN C[C@H](NCc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000181573004 1124935960 /nfs/dbraw/zinc/93/59/60/1124935960.db2.gz LJPXXIFCOIVWDN-ROUUACIJSA-N 0 3 349.478 3.630 20 30 EHEDHN C[C@H]1COCCCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000618288442 1125038816 /nfs/dbraw/zinc/03/88/16/1125038816.db2.gz QPZVMQVMSBXZBT-IBGZPJMESA-N 0 3 334.463 3.997 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000615320862 1125192886 /nfs/dbraw/zinc/19/28/86/1125192886.db2.gz YQSZSHXTCPHYCB-IAGOWNOFSA-N 0 3 330.472 3.714 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182575828 1125336170 /nfs/dbraw/zinc/33/61/70/1125336170.db2.gz ANRNWESEVRYFGG-KUHUBIRLSA-N 0 3 347.890 3.779 20 30 EHEDHN Cn1cc(CNCc2ccc(C#N)c(Cl)c2)c(-c2cccs2)n1 ZINC000619748856 1125401057 /nfs/dbraw/zinc/40/10/57/1125401057.db2.gz QXBWFLRTUHVCHI-UHFFFAOYSA-N 0 3 342.855 3.963 20 30 EHEDHN C=CC[C@H](Cc1ccccc1)NCc1csc(-c2ccn(C)n2)n1 ZINC000922185467 1129317581 /nfs/dbraw/zinc/31/75/81/1129317581.db2.gz YRVVXCWXOPAHLM-MRXNPFEDSA-N 0 3 338.480 3.821 20 30 EHEDHN CC1(CNCc2cc(C#N)ccc2Br)CC(F)(F)C1 ZINC000922331780 1129472216 /nfs/dbraw/zinc/47/22/16/1129472216.db2.gz YXHYYBHVLLPTNB-UHFFFAOYSA-N 0 3 329.188 3.846 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cn(C)c4ccccc34)nc21 ZINC000735790708 1131379109 /nfs/dbraw/zinc/37/91/09/1131379109.db2.gz PCIHWXQNWQVYDJ-MRXNPFEDSA-N 0 3 342.402 3.782 20 30 EHEDHN N#Cc1cccc(CN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1 ZINC000125541716 1129701197 /nfs/dbraw/zinc/70/11/97/1129701197.db2.gz GLJAICJBUANKNV-UHFFFAOYSA-N 0 3 334.345 3.680 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3oc(=O)[nH]c3c2)s1 ZINC000347774034 1129726002 /nfs/dbraw/zinc/72/60/02/1129726002.db2.gz IASTXHIIPNZANE-SNVBAGLBSA-N 0 3 341.392 3.777 20 30 EHEDHN Cc1cccc(NC(=O)C[C@@H](C)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000556601429 1129911574 /nfs/dbraw/zinc/91/15/74/1129911574.db2.gz LPJZDLLURMRGAT-MRXNPFEDSA-N 0 3 333.435 3.863 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058452479 1129944386 /nfs/dbraw/zinc/94/43/86/1129944386.db2.gz PDAYKCQREGHIQF-IBGZPJMESA-N 0 3 348.450 3.653 20 30 EHEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000245450251 1130209330 /nfs/dbraw/zinc/20/93/30/1130209330.db2.gz OKXKOAZYEOXNNM-PBFPGSCMSA-N 0 3 331.847 3.803 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000733324480 1131024995 /nfs/dbraw/zinc/02/49/95/1131024995.db2.gz DDWOINVYLSKETK-INIZCTEOSA-N 0 3 337.419 3.711 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cccc(Nc3ccccc3)c2)CC1 ZINC000074254385 1131156293 /nfs/dbraw/zinc/15/62/93/1131156293.db2.gz AYYZHCUBGIPCAY-UHFFFAOYSA-N 0 3 333.435 3.714 20 30 EHEDHN C=C(Cl)CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000737030668 1131443594 /nfs/dbraw/zinc/44/35/94/1131443594.db2.gz SVOQLOQZYFJJIS-CQSZACIVSA-N 0 3 341.908 3.573 20 30 EHEDHN CCS[C@H]1CCCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000738222747 1131463885 /nfs/dbraw/zinc/46/38/85/1131463885.db2.gz SWJIHUBJFMGTSY-SFHVURJKSA-N 0 3 340.496 3.987 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCCCCCC1 ZINC000741536455 1131616255 /nfs/dbraw/zinc/61/62/55/1131616255.db2.gz IYHSBBILKDKDBL-UHFFFAOYSA-N 0 3 341.499 3.809 20 30 EHEDHN C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H]1C ZINC000741790739 1131648463 /nfs/dbraw/zinc/64/84/63/1131648463.db2.gz LBQGNKZJGTZCRQ-MGPQQGTHSA-N 0 3 327.453 3.593 20 30 EHEDHN CCc1cnc(CC/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])s1 ZINC000743045042 1131842294 /nfs/dbraw/zinc/84/22/94/1131842294.db2.gz XBEOIWYLWZSHSI-XDHOZWIPSA-N 0 3 331.485 3.919 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(Cl)c2)C[C@H]1C#N ZINC001172968735 1131921420 /nfs/dbraw/zinc/92/14/20/1131921420.db2.gz SNMFCAGZDOLMGR-HOTGVXAUSA-N 0 3 349.862 3.721 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H](C)c1ccco1 ZINC000744029903 1132006712 /nfs/dbraw/zinc/00/67/12/1132006712.db2.gz WVHFTLRZBLWSTN-CJNGLKHVSA-N 0 3 338.407 3.855 20 30 EHEDHN COc1cccc(-c2nc(CNC3CCC(C)(C#N)CC3)co2)c1 ZINC001173593265 1132098095 /nfs/dbraw/zinc/09/80/95/1132098095.db2.gz LFNKRQWUDXXETD-UHFFFAOYSA-N 0 3 325.412 3.912 20 30 EHEDHN CC(C)C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000745986663 1132344339 /nfs/dbraw/zinc/34/43/39/1132344339.db2.gz OFISYPLBJARVQV-GJZGRUSLSA-N 0 3 341.480 3.841 20 30 EHEDHN C[C@@H](c1ccco1)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000746124797 1132379154 /nfs/dbraw/zinc/37/91/54/1132379154.db2.gz YLPHOHCTRPKMRB-STQMWFEESA-N 0 3 339.420 3.759 20 30 EHEDHN CCN1CCN(c2ccc(Nc3c(F)ccc(F)c3C#N)cc2)CC1 ZINC001175781118 1132764582 /nfs/dbraw/zinc/76/45/82/1132764582.db2.gz FCLKCDNTKUSVHQ-UHFFFAOYSA-N 0 3 342.393 3.722 20 30 EHEDHN CCN1CCN(c2ccc(Nc3c(C)cc(C#N)cc3C#N)cc2)CC1 ZINC001175781179 1132764688 /nfs/dbraw/zinc/76/46/88/1132764688.db2.gz DXQPOOPDEBJMTI-UHFFFAOYSA-N 0 3 345.450 3.624 20 30 EHEDHN Cc1ccccc1N1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000768193234 1133111206 /nfs/dbraw/zinc/11/12/06/1133111206.db2.gz XHLLFKKCZBEFAN-UHFFFAOYSA-N 0 3 348.494 3.667 20 30 EHEDHN CC(C)(NCc1cc2ccc(F)cc2[nH]c1=O)c1cccc(C#N)c1 ZINC001179140642 1133231577 /nfs/dbraw/zinc/23/15/77/1133231577.db2.gz QZOPHWCOSNYFOI-UHFFFAOYSA-N 0 3 335.382 3.976 20 30 EHEDHN C#CCN(Cc1ccccc1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001181637731 1133504645 /nfs/dbraw/zinc/50/46/45/1133504645.db2.gz MPQXGJSECXHLAP-NRFANRHFSA-N 0 3 342.483 3.769 20 30 EHEDHN CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000771512133 1133567796 /nfs/dbraw/zinc/56/77/96/1133567796.db2.gz XYXKAPHGAYQUSQ-NZSAHSFTSA-N 0 3 347.503 3.765 20 30 EHEDHN Cc1cc(Br)cc(C[NH2+]Cc2ccc(C#N)s2)c1[O-] ZINC001182453691 1133673300 /nfs/dbraw/zinc/67/33/00/1133673300.db2.gz VQUXJQLWFZWGPL-UHFFFAOYSA-N 0 3 337.242 3.686 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000786295211 1133828475 /nfs/dbraw/zinc/82/84/75/1133828475.db2.gz BBQWCWWAIBCAMV-GDBMZVCRSA-N 0 3 339.439 3.677 20 30 EHEDHN N#Cc1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)c2sccc21 ZINC001184501238 1133952904 /nfs/dbraw/zinc/95/29/04/1133952904.db2.gz XQEBJOFVZJBEFC-MRXNPFEDSA-N 0 3 334.448 3.854 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](COC)[C@@H]2CCCO2)cc1 ZINC000788620041 1134152315 /nfs/dbraw/zinc/15/23/15/1134152315.db2.gz UJFOHZRZJMVEKT-QGTPRVQTSA-N 0 3 339.863 3.663 20 30 EHEDHN N#Cc1c(Cl)nsc1N(CCN1CCCCCC1)C1CCC1 ZINC001186585919 1134234659 /nfs/dbraw/zinc/23/46/59/1134234659.db2.gz VERMNCBXIQLFGR-UHFFFAOYSA-N 0 3 338.908 3.903 20 30 EHEDHN COc1cccc(O)c1/C=N/C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000746816241 1134280837 /nfs/dbraw/zinc/28/08/37/1134280837.db2.gz PDFSYZQXIOEDDR-MBTVCVBTSA-N 0 3 332.831 3.776 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(N2CCOC2=O)c1 ZINC000775375157 1134687905 /nfs/dbraw/zinc/68/79/05/1134687905.db2.gz IAOSSSUGFNXHSC-HXUWFJFHSA-N 0 3 347.418 3.682 20 30 EHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@](O)(c1ccccc1)C(C)C ZINC001170195566 1134711349 /nfs/dbraw/zinc/71/13/49/1134711349.db2.gz UOQIJXRLWVOMMZ-NRFANRHFSA-N 0 3 343.467 3.694 20 30 EHEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2Br)C12CCC2 ZINC001170386319 1134762024 /nfs/dbraw/zinc/76/20/24/1134762024.db2.gz NDQPDFRGCWBAGF-HZPDHXFCSA-N 0 3 349.272 3.758 20 30 EHEDHN COCC1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)CCC1 ZINC000793122695 1134851306 /nfs/dbraw/zinc/85/13/06/1134851306.db2.gz VEKGRTVHYVUDSH-LLVKDONJSA-N 0 3 334.828 3.943 20 30 EHEDHN CCCCCCC[C@H](C)NC(=O)N1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001192938230 1135079946 /nfs/dbraw/zinc/07/99/46/1135079946.db2.gz KNOSZFKYRMYQME-BZSNNMDCSA-N 0 3 341.515 3.953 20 30 EHEDHN C=CCCCCCCN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000806620102 1135471901 /nfs/dbraw/zinc/47/19/01/1135471901.db2.gz OPQNDEVKNRQQRW-HNNXBMFYSA-N 0 3 339.277 3.702 20 30 EHEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC001195947127 1135498778 /nfs/dbraw/zinc/49/87/78/1135498778.db2.gz QOTPSBKFZDXCMI-QZTJIDSGSA-N 0 3 341.499 3.902 20 30 EHEDHN C#CCC1(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CCCCC1 ZINC000807682383 1135561601 /nfs/dbraw/zinc/56/16/01/1135561601.db2.gz RJRFTKVZXFWYED-SJORKVTESA-N 0 3 330.472 3.799 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1OCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC001196418769 1135561900 /nfs/dbraw/zinc/56/19/00/1135561900.db2.gz GKSLIEIGYVYQHL-UZLBHIALSA-N 0 3 327.472 3.728 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H]2CC2(C)C)c1 ZINC001196460039 1135570381 /nfs/dbraw/zinc/57/03/81/1135570381.db2.gz WHFLBDHYGNIWBK-ROUUACIJSA-N 0 3 341.499 3.917 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000808429823 1135674347 /nfs/dbraw/zinc/67/43/47/1135674347.db2.gz PMPGKRNOFPADJH-IFXJQAMLSA-N 0 3 344.842 3.844 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2C2CCC2)cc1C ZINC000747528863 1135739403 /nfs/dbraw/zinc/73/94/03/1135739403.db2.gz AEJOPPKREYWKER-FQEVSTJZSA-N 0 3 339.483 3.815 20 30 EHEDHN C#CCN(C[C@@H]1CC2(CO1)CCOCC2)[C@H]1CCCc2ccccc21 ZINC001198105301 1135776639 /nfs/dbraw/zinc/77/66/39/1135776639.db2.gz WSPATRHWPANYNN-FPOVZHCZSA-N 0 3 339.479 3.585 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN(C)CCOc2ccccc2F)cc1 ZINC000121517339 1135819227 /nfs/dbraw/zinc/81/92/27/1135819227.db2.gz RAEUNILRPMVQRA-OAHLLOKOSA-N 0 3 328.387 3.627 20 30 EHEDHN C#Cc1ccc(CN2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000809549475 1135855173 /nfs/dbraw/zinc/85/51/73/1135855173.db2.gz ISSSTQXCXQXNBA-UHFFFAOYSA-N 0 3 327.374 3.990 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(OC(F)F)c(OCC)c2)cc1 ZINC000809607007 1135856855 /nfs/dbraw/zinc/85/68/55/1135856855.db2.gz MJCKNFSPOCXNCB-UHFFFAOYSA-N 0 3 331.362 3.958 20 30 EHEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(N2CCCCC2=O)cc1 ZINC000810179281 1135934377 /nfs/dbraw/zinc/93/43/77/1135934377.db2.gz MBYAIIMNOSEMAL-AWEZNQCLSA-N 0 3 339.464 3.987 20 30 EHEDHN COc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)ccc1C#N ZINC000810251099 1135948446 /nfs/dbraw/zinc/94/84/46/1135948446.db2.gz OUJGTECFYUSDGR-IAQYHMDHSA-N 0 3 326.371 3.750 20 30 EHEDHN CCCCCCCCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC001201836746 1136068761 /nfs/dbraw/zinc/06/87/61/1136068761.db2.gz NYKPOEKVIRHVSW-MSOLQXFVSA-N 0 3 344.565 3.625 20 30 EHEDHN CCCCCCCCCCS(=O)(=O)N(C)C1CCN(CC)CC1 ZINC001201837589 1136068979 /nfs/dbraw/zinc/06/89/79/1136068979.db2.gz YRJYFNDJKPXICG-UHFFFAOYSA-N 0 3 346.581 3.873 20 30 EHEDHN C=CCc1cc(OC)cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000811779323 1136134748 /nfs/dbraw/zinc/13/47/48/1136134748.db2.gz OVZLPJFEWCXOOP-IEBWSBKVSA-N 0 3 331.456 3.519 20 30 EHEDHN C=CCc1cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)c(OC)c1 ZINC000811793176 1136141325 /nfs/dbraw/zinc/14/13/25/1136141325.db2.gz TVNBDEKIKXGYLV-XLIONFOSSA-N 0 3 343.467 3.663 20 30 EHEDHN C=CCOCCCNCc1nc2ccc(Br)cc2s1 ZINC000850377370 1136245128 /nfs/dbraw/zinc/24/51/28/1136245128.db2.gz CJPTWDOVPHENBX-UHFFFAOYSA-N 0 3 341.274 3.741 20 30 EHEDHN C#C[C@H](N[C@@H](C)c1ccc2cc(OC)c(OC)cc2c1)[C@H]1CCCO1 ZINC000850461306 1136263529 /nfs/dbraw/zinc/26/35/29/1136263529.db2.gz HYHFBJMOYKPBGY-ZOCIIQOWSA-N 0 3 339.435 3.688 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000850760616 1136301225 /nfs/dbraw/zinc/30/12/25/1136301225.db2.gz VLJWSFXLOFXCCK-WCQYABFASA-N 0 3 339.222 3.616 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@@H](OC)C2)cc1 ZINC000850761095 1136301701 /nfs/dbraw/zinc/30/17/01/1136301701.db2.gz GUBWRNFVSLVPKL-OXXUSNJHSA-N 0 3 342.439 3.663 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2occc2C)cc1 ZINC000850761274 1136302036 /nfs/dbraw/zinc/30/20/36/1136302036.db2.gz JTCWKZWZRJEGEQ-DYVFJYSZSA-N 0 3 338.407 3.992 20 30 EHEDHN CCCCCCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218786 1136304381 /nfs/dbraw/zinc/30/43/81/1136304381.db2.gz ZHSOASQWZGCOCV-ZDUSSCGKSA-N 0 3 328.334 3.874 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000851641138 1136398241 /nfs/dbraw/zinc/39/82/41/1136398241.db2.gz KNNKMVBJHAKMOA-VNQPRFMTSA-N 0 3 335.879 3.684 20 30 EHEDHN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852699855 1136479359 /nfs/dbraw/zinc/47/93/59/1136479359.db2.gz DVWWJGVTPGNIBC-DKUMPPAJSA-N 0 3 339.464 3.735 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(OCCC)c(OC)c2)cc1 ZINC000113320224 1136694741 /nfs/dbraw/zinc/69/47/41/1136694741.db2.gz OVBLTEGIFZXHOB-UHFFFAOYSA-N 0 3 339.435 3.786 20 30 EHEDHN C[C@@H]1[C@@H](OC(=O)c2ccc(C#N)cc2)CCCN1Cc1ccccc1 ZINC000816469301 1136719633 /nfs/dbraw/zinc/71/96/33/1136719633.db2.gz VRRJEXXMNLCQLG-UZLBHIALSA-N 0 3 334.419 3.768 20 30 EHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000818356879 1136875759 /nfs/dbraw/zinc/87/57/59/1136875759.db2.gz RYDMYKFXJPHTGC-QLFBSQMISA-N 0 3 333.863 3.519 20 30 EHEDHN C#CCN(C)CCCNC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 ZINC000818609362 1136888610 /nfs/dbraw/zinc/88/86/10/1136888610.db2.gz RJRAUALISWATRA-UHFFFAOYSA-N 0 3 344.455 3.548 20 30 EHEDHN C=C(CN1CCCC1)c1nc(-c2cccc(Br)c2C)no1 ZINC001206094228 1137021049 /nfs/dbraw/zinc/02/10/49/1137021049.db2.gz BHWZIGVRKXOXES-UHFFFAOYSA-N 0 3 348.244 3.917 20 30 EHEDHN CC1(C)CC(=O)C=C(Nc2ccc(Br)c3c2CNCC3)C1 ZINC001159942013 1137036694 /nfs/dbraw/zinc/03/66/94/1137036694.db2.gz RDFJZWXGIJNHFJ-UHFFFAOYSA-N 0 3 349.272 3.780 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCC(F)(F)CC1 ZINC000860449665 1137060618 /nfs/dbraw/zinc/06/06/18/1137060618.db2.gz DKPADVFUORFOPJ-CYBMUJFWSA-N 0 3 331.366 3.965 20 30 EHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccco1 ZINC000860472030 1137061982 /nfs/dbraw/zinc/06/19/82/1137061982.db2.gz ZRGOCTIRUJKKNK-KGLIPLIRSA-N 0 3 340.379 3.519 20 30 EHEDHN C[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(OCC#N)cc1 ZINC000777235328 1137135363 /nfs/dbraw/zinc/13/53/63/1137135363.db2.gz PJDBKWDVRIIBMN-AWEZNQCLSA-N 0 3 336.391 3.658 20 30 EHEDHN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1CCOCCC#N ZINC000339044922 1137160840 /nfs/dbraw/zinc/16/08/40/1137160840.db2.gz YWNUBHZEUHJZSA-XMSQKQJNSA-N 0 3 334.463 3.995 20 30 EHEDHN C#CCCCCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000119491886 1137189775 /nfs/dbraw/zinc/18/97/75/1137189775.db2.gz AZUOVNLSSHCRQF-KRWDZBQOSA-N 0 3 332.513 3.831 20 30 EHEDHN CC(C)O[C@H](CN(C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844372148 1137213232 /nfs/dbraw/zinc/21/32/32/1137213232.db2.gz VNYDACBMYSWJBE-LEWJYISDSA-N 0 3 338.451 3.690 20 30 EHEDHN CN(CCSc1ccc(Cl)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844365796 1137215603 /nfs/dbraw/zinc/21/56/03/1137215603.db2.gz FBXSUCGCQLDSNL-SFHVURJKSA-N 0 3 346.883 3.969 20 30 EHEDHN C=C(Cc1ccccc1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001144389086 1137282409 /nfs/dbraw/zinc/28/24/09/1137282409.db2.gz CADJFABDEKQXFO-UHFFFAOYSA-N 0 3 326.484 3.510 20 30 EHEDHN N=C(Nc1ccc([C@@H]2CCC(=O)N2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171184972 1137293025 /nfs/dbraw/zinc/29/30/25/1137293025.db2.gz CWVHDXAKPLNZQK-IBGZPJMESA-N 0 3 345.402 3.534 20 30 EHEDHN C#Cc1ccc(CN2CCC(Oc3cccc(Cl)n3)CC2)cc1 ZINC001144578923 1137310925 /nfs/dbraw/zinc/31/09/25/1137310925.db2.gz SZLDEWWSYIIBBV-UHFFFAOYSA-N 0 3 326.827 3.760 20 30 EHEDHN C#Cc1ccc(CN2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)cc1 ZINC001144567982 1137311405 /nfs/dbraw/zinc/31/14/05/1137311405.db2.gz HCTZENKUSLSAJV-HXUWFJFHSA-N 0 3 328.456 3.547 20 30 EHEDHN C#Cc1ccc(CN2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC001144568306 1137311416 /nfs/dbraw/zinc/31/14/16/1137311416.db2.gz PUYDDJFOAOZFKA-WIYYLYMNSA-N 0 3 340.467 3.547 20 30 EHEDHN CC(C)(C)OC(=O)NCc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(F)c1 ZINC000846060536 1137331864 /nfs/dbraw/zinc/33/18/64/1137331864.db2.gz OYYNMXAMQXEMHA-CZUORRHYSA-N 0 3 347.434 3.632 20 30 EHEDHN CCCc1noc(C2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)n1 ZINC001171224064 1137349261 /nfs/dbraw/zinc/34/92/61/1137349261.db2.gz PFYGHGDYVGNPDV-OAHLLOKOSA-N 0 3 338.455 3.704 20 30 EHEDHN Cc1ccnc(OC2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171231694 1137355490 /nfs/dbraw/zinc/35/54/90/1137355490.db2.gz KYBZJVBFCWDMLP-QGZVFWFLSA-N 0 3 335.451 3.736 20 30 EHEDHN N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000866448817 1137355570 /nfs/dbraw/zinc/35/55/70/1137355570.db2.gz MUPWXBZYMWGCGU-GOSISDBHSA-N 0 3 333.435 3.510 20 30 EHEDHN N#Cc1ccc(C2(NC[C@H]3CN(c4ccccc4)C(=O)O3)CCC2)cc1 ZINC000847053198 1137385711 /nfs/dbraw/zinc/38/57/11/1137385711.db2.gz MBZDWEWBVJXONQ-IBGZPJMESA-N 0 3 347.418 3.552 20 30 EHEDHN C[C@H](C#N)c1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC001148624694 1137429919 /nfs/dbraw/zinc/42/99/19/1137429919.db2.gz QFJLSQMYGSAKSM-DYESRHJHSA-N 0 3 347.462 3.881 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCC2(CCC2)C1 ZINC000348167143 1137449801 /nfs/dbraw/zinc/44/98/01/1137449801.db2.gz ISMZMSOLKRFZKV-MRXNPFEDSA-N 0 3 332.513 3.917 20 30 EHEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](CO)CC(F)(F)F)cc1 ZINC000773106815 1137465836 /nfs/dbraw/zinc/46/58/36/1137465836.db2.gz LYCRDJMMOAHGGB-DGCLKSJQSA-N 0 3 337.769 3.782 20 30 EHEDHN CCO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCCC1 ZINC000870380247 1137490876 /nfs/dbraw/zinc/49/08/76/1137490876.db2.gz XPVQHZODACBAQQ-BBRMVZONSA-N 0 3 340.345 3.872 20 30 EHEDHN C[C@@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172053318 1137528426 /nfs/dbraw/zinc/52/84/26/1137528426.db2.gz MHRKWTUEHTZIPO-HOTGVXAUSA-N 0 3 335.492 3.981 20 30 EHEDHN CCCCCCC[C@H](CC)n1nc(C(=O)N(C)C)c2c1CCNC2 ZINC001172355067 1137554254 /nfs/dbraw/zinc/55/42/54/1137554254.db2.gz MHDFHMJNHYTERK-HNNXBMFYSA-N 0 3 334.508 3.542 20 30 EHEDHN CCCCCCC[C@@H](CC)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001172361707 1137554489 /nfs/dbraw/zinc/55/44/89/1137554489.db2.gz LFMDYPKSOUNWAC-CEXWTWQISA-N 0 3 328.516 3.870 20 30 EHEDHN CC(C)(C)OC(=O)Nc1cc(F)cc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000872124642 1137572862 /nfs/dbraw/zinc/57/28/62/1137572862.db2.gz GEQZGFILESEOFI-WFASDCNBSA-N 0 3 333.407 3.955 20 30 EHEDHN CCc1ccc([C@@H](CNCc2cc(C#N)cnc2Cl)N(C)C)cc1 ZINC000876884367 1137664501 /nfs/dbraw/zinc/66/45/01/1137664501.db2.gz HCWMHPPMDAKBOL-GOSISDBHSA-N 0 3 342.874 3.562 20 30 EHEDHN CC(C)[C@@H](CNCc1cc(C#N)cnc1Cl)Nc1ccccc1 ZINC000876914894 1137665139 /nfs/dbraw/zinc/66/51/39/1137665139.db2.gz ILWMKUPTJAPFAL-QGZVFWFLSA-N 0 3 328.847 3.833 20 30 EHEDHN COc1ccc(CC[C@@H](C)NCc2cc(C#N)cnc2Cl)cc1 ZINC000876988623 1137666997 /nfs/dbraw/zinc/66/69/97/1137666997.db2.gz HMNWFWYIUBFYQZ-CYBMUJFWSA-N 0 3 329.831 3.726 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@H]2C[C@H](NCC(C)(C)C#N)CC[C@H]21 ZINC000877322401 1137674381 /nfs/dbraw/zinc/67/43/81/1137674381.db2.gz FYJRQYJXELDMER-ARFHVFGLSA-N 0 3 335.492 3.694 20 30 EHEDHN C=CC[C@@H]1CCCN(Cc2cnc(NC(=O)OC(C)(C)C)cn2)C1 ZINC000877623890 1137683331 /nfs/dbraw/zinc/68/33/31/1137683331.db2.gz CWSXPEHYBCTOCM-CQSZACIVSA-N 0 3 332.448 3.612 20 30 EHEDHN C=CC[C@H]1CCCN(Cc2cnc(NC(=O)OC(C)(C)C)cn2)C1 ZINC000877623889 1137683352 /nfs/dbraw/zinc/68/33/52/1137683352.db2.gz CWSXPEHYBCTOCM-AWEZNQCLSA-N 0 3 332.448 3.612 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCCC2)cc1 ZINC000114618295 1137788419 /nfs/dbraw/zinc/78/84/19/1137788419.db2.gz LBNFPYQNJLZESG-KBXCAEBGSA-N 0 3 342.439 3.949 20 30 EHEDHN CCCN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)[C@H](CC)c1ccccc1 ZINC000884086112 1137905637 /nfs/dbraw/zinc/90/56/37/1137905637.db2.gz NJVBREQWZNEJJH-KYBDOYODSA-N 0 3 339.483 3.516 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(NC(=O)CCC)cc2)cc1 ZINC000113322843 1137912700 /nfs/dbraw/zinc/91/27/00/1137912700.db2.gz JMSQMYSSVKAZAT-UHFFFAOYSA-N 0 3 336.435 3.727 20 30 EHEDHN C#CCN(C(=O)c1cccc(Nc2ccccc2)c1)C1CCN(C)CC1 ZINC000886580866 1138099141 /nfs/dbraw/zinc/09/91/41/1138099141.db2.gz AONKESYMOYKSFL-UHFFFAOYSA-N 0 3 347.462 3.600 20 30 EHEDHN C[C@H](CC(=O)N1CCCCCC1)N[C@H](CCC#N)c1ccccc1 ZINC000090664581 1138212483 /nfs/dbraw/zinc/21/24/83/1138212483.db2.gz SQOGYZRDKYDNDT-IEBWSBKVSA-N 0 3 327.472 3.802 20 30 EHEDHN C=CCc1cc(CN2CCC(OC(C)(C)C)CC2)cc(OC)c1O ZINC000092454155 1138228082 /nfs/dbraw/zinc/22/80/82/1138228082.db2.gz KPGPJZOBMBHQIL-UHFFFAOYSA-N 0 3 333.472 3.909 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)CC(C)(C)C)CC1 ZINC000264385009 1138496126 /nfs/dbraw/zinc/49/61/26/1138496126.db2.gz VKWDPBNXUAWOTB-UHFFFAOYSA-N 0 3 343.515 3.895 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2ccccc2C)CC1 ZINC000264404199 1138502505 /nfs/dbraw/zinc/50/25/05/1138502505.db2.gz REPALZMXMJRLHQ-KRWDZBQOSA-N 0 3 329.488 3.738 20 30 EHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000264937079 1138680341 /nfs/dbraw/zinc/68/03/41/1138680341.db2.gz DKTGNGFWPRYEEV-MRXNPFEDSA-N 0 3 348.446 3.898 20 30 EHEDHN COc1ccc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C#N ZINC000174255223 1139409755 /nfs/dbraw/zinc/40/97/55/1139409755.db2.gz NCPAIIRAZHTMHE-CQSZACIVSA-N 0 3 349.434 3.766 20 30 EHEDHN C=CCOc1cccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000180169696 1139814791 /nfs/dbraw/zinc/81/47/91/1139814791.db2.gz JVIYWEUOAAJMOZ-NRFANRHFSA-N 0 3 345.483 3.802 20 30 EHEDHN COC(=O)COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000185674911 1140162429 /nfs/dbraw/zinc/16/24/29/1140162429.db2.gz XJXKYHABZQGKHR-HUUCEWRRSA-N 0 3 338.407 3.522 20 30 EHEDHN CCCCN(C)C(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186337571 1140198773 /nfs/dbraw/zinc/19/87/73/1140198773.db2.gz ZJEDDIOSWGFZFM-INIZCTEOSA-N 0 3 327.472 3.590 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000187176728 1140242763 /nfs/dbraw/zinc/24/27/63/1140242763.db2.gz XBNAUSFCBCXYKT-GFCCVEGCSA-N 0 3 339.266 3.516 20 30 EHEDHN Cc1ccc(NC(=O)[C@@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)nc1 ZINC000189053722 1140318385 /nfs/dbraw/zinc/31/83/85/1140318385.db2.gz YPRVCHSACNHXNU-QFBILLFUSA-N 0 3 348.450 3.673 20 30 EHEDHN COc1ccc([C@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C2CC2)cc1 ZINC000193347882 1140573206 /nfs/dbraw/zinc/57/32/06/1140573206.db2.gz LTOSFGXKOVFRAJ-JLTOFOAXSA-N 0 3 349.434 3.635 20 30 EHEDHN N#Cc1c(Cl)nsc1N[C@@H](CN1CCCC1)c1ccccc1 ZINC000266125399 1140643636 /nfs/dbraw/zinc/64/36/36/1140643636.db2.gz XPCLFNXGPPKKTR-AWEZNQCLSA-N 0 3 332.860 3.917 20 30 EHEDHN CN(CC(=O)Nc1ccccc1SCC#N)C1CCCCCC1 ZINC000283325490 1141598354 /nfs/dbraw/zinc/59/83/54/1141598354.db2.gz ZBDWZRXTKQJTHR-UHFFFAOYSA-N 0 3 331.485 3.895 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN([C@@H](C)C2CC2)C2CC2)c1C ZINC000051881814 214106317 /nfs/dbraw/zinc/10/63/17/214106317.db2.gz HSXSTLVQZQTQFP-KRWDZBQOSA-N 0 3 339.483 3.813 20 30 EHEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(-c4ccccc4)o3)C2)nc1 ZINC000430181103 1014622158 /nfs/dbraw/zinc/62/21/58/1014622158.db2.gz SKYUNKNQJYDPSN-IBGZPJMESA-N 0 3 345.402 3.867 20 30 EHEDHN N#CC(C(=O)c1ccc(C(F)F)cc1F)c1nnc2n1CCCCC2 ZINC000654972091 1014699534 /nfs/dbraw/zinc/69/95/34/1014699534.db2.gz BERLYJAUBCWQQV-GFCCVEGCSA-N 0 3 348.328 3.571 20 30 EHEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cc(C)c(F)c(C)c1)C2 ZINC001143374125 1014805003 /nfs/dbraw/zinc/80/50/03/1014805003.db2.gz MJMAFPLMHCWGBU-NRFANRHFSA-N 0 3 344.474 3.976 20 30 EHEDHN C[C@@H](CC1CCCC1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000510085824 1014881729 /nfs/dbraw/zinc/88/17/29/1014881729.db2.gz BGGXRRCQGNAESH-KRWDZBQOSA-N 0 3 341.499 3.665 20 30 EHEDHN COC(=O)c1cccc(CN2CCC[C@@H]2C2CCCCC2)c1C#N ZINC001167071473 1015061836 /nfs/dbraw/zinc/06/18/36/1015061836.db2.gz MBIKBLZOWBBCKP-LJQANCHMSA-N 0 3 326.440 3.890 20 30 EHEDHN N#Cc1cccc(CNCc2ccc(COC3CCOCC3)cc2)c1 ZINC000127076281 1015286928 /nfs/dbraw/zinc/28/69/28/1015286928.db2.gz KTPUALYKOBEZFT-UHFFFAOYSA-N 0 3 336.435 3.544 20 30 EHEDHN N#Cc1ccc2ncc(CNC3(c4ccc(F)cc4)CCCC3)n2c1 ZINC000579862110 1015390475 /nfs/dbraw/zinc/39/04/75/1015390475.db2.gz IUEQGSNUBWIAQI-UHFFFAOYSA-N 0 3 334.398 3.904 20 30 EHEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C#N)cc1C ZINC000155164960 1016237409 /nfs/dbraw/zinc/23/74/09/1016237409.db2.gz IDMVSSSTQPZXHF-FPOVZHCZSA-N 0 3 345.446 3.623 20 30 EHEDHN Oc1ccc2ccccc2c1/C=N/[C@@H]1CCCN2CCSC[C@@H]12 ZINC000905002264 1032315651 /nfs/dbraw/zinc/31/56/51/1032315651.db2.gz GDJWGUMTGXVKNG-SLCIEKFFSA-N 0 3 326.465 3.544 20 30 EHEDHN C=CCCCC[C@H](C)[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)(C)C ZINC000449198552 1032321909 /nfs/dbraw/zinc/32/19/09/1032321909.db2.gz CEJXMIQGOHRRSV-STQMWFEESA-N 0 3 332.452 3.666 20 30 EHEDHN C=CCCCC[C@H](C)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000449198552 1032321923 /nfs/dbraw/zinc/32/19/23/1032321923.db2.gz CEJXMIQGOHRRSV-STQMWFEESA-N 0 3 332.452 3.666 20 30 EHEDHN CN1CCN(Cc2ccccc2C(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000538377229 1032327182 /nfs/dbraw/zinc/32/71/82/1032327182.db2.gz IOHZZYCCCDCCDS-NRFANRHFSA-N 0 3 333.479 3.976 20 30 EHEDHN C=C(C)c1cccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000890888883 1017258010 /nfs/dbraw/zinc/25/80/10/1017258010.db2.gz LTXKVWCQRBVCIQ-HUUCEWRRSA-N 0 3 343.345 3.642 20 30 EHEDHN Cc1ccccc1[C@H](CC(C)C)NCC(=O)NCc1cccc(C#N)c1 ZINC000537060673 1032497563 /nfs/dbraw/zinc/49/75/63/1032497563.db2.gz NFCQRZBMABOQOU-NRFANRHFSA-N 0 3 349.478 3.860 20 30 EHEDHN Cc1ccccc1[C@H](C)N(CC(=O)NC1(C#N)CCC1)CC(C)C ZINC000584425801 1032515484 /nfs/dbraw/zinc/51/54/84/1032515484.db2.gz ODZTVZIKUJNPFM-KRWDZBQOSA-N 0 3 327.472 3.577 20 30 EHEDHN CC[C@@H](CC(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000459998867 1032550210 /nfs/dbraw/zinc/55/02/10/1032550210.db2.gz OHBKEJJZQZUBNP-IBGZPJMESA-N 0 3 329.488 3.521 20 30 EHEDHN CN(C)Cc1ccccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000584444279 1032643478 /nfs/dbraw/zinc/64/34/78/1032643478.db2.gz QSGWHAPCLFDYCM-UHFFFAOYSA-N 0 3 346.390 3.527 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1F ZINC000593065598 1032666147 /nfs/dbraw/zinc/66/61/47/1032666147.db2.gz YTZVQBLHLDDHMP-KRWDZBQOSA-N 0 3 325.387 3.767 20 30 EHEDHN CCO[C@@H]1CCN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H]1C ZINC000449503036 1032683650 /nfs/dbraw/zinc/68/36/50/1032683650.db2.gz XGZMGCOCNOZFGH-FUHWJXTLSA-N 0 3 346.471 3.625 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449547118 1032765298 /nfs/dbraw/zinc/76/52/98/1032765298.db2.gz GOGATRABQRNZRD-WBVHZDCISA-N 0 3 328.368 3.678 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOc1ccccc1 ZINC000122718463 1018598375 /nfs/dbraw/zinc/59/83/75/1018598375.db2.gz OJPFKWHMWQUJPU-INIZCTEOSA-N 0 3 333.391 3.609 20 30 EHEDHN C=CCN1C(=O)CCC12CCN(Cc1cc(C)c(F)c(C)c1)CC2 ZINC001143380897 1019874469 /nfs/dbraw/zinc/87/44/69/1019874469.db2.gz ZJGGCDGOCBGOBK-UHFFFAOYSA-N 0 3 330.447 3.586 20 30 EHEDHN C[C@H](CCC#N)CN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000602487036 1032916592 /nfs/dbraw/zinc/91/65/92/1032916592.db2.gz SGOSZWWMOLKMGO-WBVHZDCISA-N 0 3 339.439 3.567 20 30 EHEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172765860 1032929387 /nfs/dbraw/zinc/92/93/87/1032929387.db2.gz XAUAGNQJSJWLDK-FQEVSTJZSA-N 0 3 349.434 3.794 20 30 EHEDHN C[C@@H](CCC#N)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000276269521 1020984280 /nfs/dbraw/zinc/98/42/80/1020984280.db2.gz CPIQUYCLVNLMFA-ZDUSSCGKSA-N 0 3 337.261 3.985 20 30 EHEDHN C=CCOCCCN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000656684795 1021166399 /nfs/dbraw/zinc/16/63/99/1021166399.db2.gz GQMFQBRLFKIRTK-LJQANCHMSA-N 0 3 342.414 3.688 20 30 EHEDHN Cc1ccsc1[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507424854 1021257566 /nfs/dbraw/zinc/25/75/66/1021257566.db2.gz UTRFIYNQNRPYRB-RHSMWYFYSA-N 0 3 339.464 3.774 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)OC1CCCCCC1 ZINC000761026196 1032963679 /nfs/dbraw/zinc/96/36/79/1032963679.db2.gz SPCBLAISXBLDJJ-DOTOQJQBSA-N 0 3 336.476 3.520 20 30 EHEDHN N#CCCNC(=O)CN[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000760460754 1032969196 /nfs/dbraw/zinc/96/91/96/1032969196.db2.gz ACDMGSSODKDPCF-GOSISDBHSA-N 0 3 333.863 3.581 20 30 EHEDHN C=CCC[C@H](NCc1cccc(CN2CCOCC2)c1)c1ccco1 ZINC000276484227 1021465952 /nfs/dbraw/zinc/46/59/52/1021465952.db2.gz SNTBUYNZKRCBOU-FQEVSTJZSA-N 0 3 340.467 3.909 20 30 EHEDHN C[C@H](NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000437092921 1021546900 /nfs/dbraw/zinc/54/69/00/1021546900.db2.gz FXCHSQXNARTXSV-RBOXIYTFSA-N 0 3 344.352 3.832 20 30 EHEDHN N#Cc1ccc(OC2CCC(NCc3nc4ccccc4o3)CC2)nc1 ZINC000602577589 1032996506 /nfs/dbraw/zinc/99/65/06/1032996506.db2.gz WMLHWMOFBDHMGX-UHFFFAOYSA-N 0 3 348.406 3.574 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000602597422 1032992532 /nfs/dbraw/zinc/99/25/32/1032992532.db2.gz BXVUAEMFIYAYAF-HKUYNNGSSA-N 0 3 333.435 3.576 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H]1CC(C)(C)CCc2ccccc21 ZINC000440644826 1021687450 /nfs/dbraw/zinc/68/74/50/1021687450.db2.gz LDXPGJBELHJJBN-GHTZIAJQSA-N 0 3 341.499 3.734 20 30 EHEDHN COc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1OCCCC#N ZINC000593695615 1033006770 /nfs/dbraw/zinc/00/67/70/1033006770.db2.gz SEQGXNLKPLEEKT-QGZVFWFLSA-N 0 3 336.382 3.609 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000341451444 1021933376 /nfs/dbraw/zinc/93/33/76/1021933376.db2.gz HKAURWAVWHJACO-QAPCUYQASA-N 0 3 347.478 3.901 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000341451441 1021933603 /nfs/dbraw/zinc/93/36/03/1021933603.db2.gz HKAURWAVWHJACO-MAUKXSAKSA-N 0 3 347.478 3.901 20 30 EHEDHN CCC(CC)(NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000112543555 1022270988 /nfs/dbraw/zinc/27/09/88/1022270988.db2.gz IDFOWNLVRFZAFU-GOSISDBHSA-N 0 3 347.890 3.753 20 30 EHEDHN C=CCOc1ccc(CN(CCO)Cc2ccc(C)cc2)cc1OC ZINC000341564125 1022336228 /nfs/dbraw/zinc/33/62/28/1022336228.db2.gz MSAMYOCWQRDNRT-UHFFFAOYSA-N 0 3 341.451 3.563 20 30 EHEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)C(C1CC1)C1CC1 ZINC000328762799 1022483849 /nfs/dbraw/zinc/48/38/49/1022483849.db2.gz YYVVLWNZWQUVGW-UHFFFAOYSA-N 0 3 328.456 3.668 20 30 EHEDHN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000328793925 1022504976 /nfs/dbraw/zinc/50/49/76/1022504976.db2.gz BEYLSARLPGQXMJ-XJKSGUPXSA-N 0 3 338.455 3.623 20 30 EHEDHN C[C@@H](NC(=O)[C@@H]1CCc2ccccc21)C(=O)NCCN1CCCCC1 ZINC000328800230 1022505604 /nfs/dbraw/zinc/50/56/04/1022505604.db2.gz YEPOIEMFTCRYEF-CRAIPNDOSA-N 0 3 343.471 3.504 20 30 EHEDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1ncoc1C1CC1 ZINC000328879631 1022525987 /nfs/dbraw/zinc/52/59/87/1022525987.db2.gz KDQRSIYGGXBHRZ-UHFFFAOYSA-N 0 3 349.500 3.608 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(OC)c(OC)c1O ZINC000891747451 1022528383 /nfs/dbraw/zinc/52/83/83/1022528383.db2.gz JHSQDGHYBXEBLE-UHFFFAOYSA-N 0 3 343.423 3.606 20 30 EHEDHN CCN1CCC[C@@H](NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)C1 ZINC000330926692 1022721414 /nfs/dbraw/zinc/72/14/14/1022721414.db2.gz XITIEYDUWOIMIY-CQSZACIVSA-N 0 3 349.450 3.599 20 30 EHEDHN N#Cc1ccc(OC2CCN(Cc3cccc4c3CCOC4)CC2)cc1 ZINC000602771312 1033150290 /nfs/dbraw/zinc/15/02/90/1033150290.db2.gz CHVNRPMNQSUEIH-UHFFFAOYSA-N 0 3 348.446 3.674 20 30 EHEDHN C=CC1(CC(=O)NC2CCN(CCOC(C)C)CC2)CCCCC1 ZINC000934041493 1023687119 /nfs/dbraw/zinc/68/71/19/1023687119.db2.gz HYVPWEPXRRGEQT-UHFFFAOYSA-N 0 3 336.520 3.519 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NCc1sccc1C)c1ccccc1 ZINC000341935363 1023707348 /nfs/dbraw/zinc/70/73/48/1023707348.db2.gz ZDICRKDKLUWGPF-QGZVFWFLSA-N 0 3 328.481 3.970 20 30 EHEDHN C=CCC[C@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000341946863 1023715171 /nfs/dbraw/zinc/71/51/71/1023715171.db2.gz RVVQVGYGVXYPOY-KRWDZBQOSA-N 0 3 338.407 3.651 20 30 EHEDHN N#CC(C(=O)CCc1ccccn1)c1nc2ccccc2n1C(F)F ZINC000178987859 1024270059 /nfs/dbraw/zinc/27/00/59/1024270059.db2.gz DRIIUOZZZDMPFQ-ZDUSSCGKSA-N 0 3 340.333 3.635 20 30 EHEDHN C=CCC[C@H](NCC(=O)N(C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000342188930 1024360530 /nfs/dbraw/zinc/36/05/30/1024360530.db2.gz DQLWWTCLNVJSFG-INIZCTEOSA-N 0 3 340.389 3.923 20 30 EHEDHN C=CCNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000065696531 1033205322 /nfs/dbraw/zinc/20/53/22/1033205322.db2.gz QOMMQJVFWXVXJN-OAHLLOKOSA-N 0 3 343.393 3.574 20 30 EHEDHN FC(F)C(F)(F)COCCNCc1ccccc1OC(F)(F)F ZINC000434790189 1024427825 /nfs/dbraw/zinc/42/78/25/1024427825.db2.gz RSQYOUCFWDJYOJ-UHFFFAOYSA-N 0 3 349.246 3.592 20 30 EHEDHN C[C@@H]1CN(CCCOc2ccc3ccccc3c2)C[C@@H](C)N1CC#N ZINC000602856077 1033211168 /nfs/dbraw/zinc/21/11/68/1033211168.db2.gz JVYQQIWWAUZITI-QZTJIDSGSA-N 0 3 337.467 3.527 20 30 EHEDHN COCCNc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000346193959 1024514595 /nfs/dbraw/zinc/51/45/95/1024514595.db2.gz NNNGYYYNIASZDZ-CQSZACIVSA-N 0 3 327.403 3.606 20 30 EHEDHN CN(C)[C@@H]1CCOc2c(Nc3c(C#N)cccc3[N+](=O)[O-])cccc21 ZINC000425263910 1024571231 /nfs/dbraw/zinc/57/12/31/1024571231.db2.gz VLQJQFGSBMHYEY-OAHLLOKOSA-N 0 3 338.367 3.595 20 30 EHEDHN Cc1cccc(OCCN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000507848646 1024727361 /nfs/dbraw/zinc/72/73/61/1024727361.db2.gz PODRVJIHEDVYNT-UHFFFAOYSA-N 0 3 336.435 3.789 20 30 EHEDHN N#Cc1ccc([C@H](NC[C@H]2CCCC[C@@H]2c2ccccc2)C(N)=O)cc1 ZINC000514824553 1024767612 /nfs/dbraw/zinc/76/76/12/1024767612.db2.gz MUAFNUCILXJVOP-NJYVYQBISA-N 0 3 347.462 3.648 20 30 EHEDHN CCC[C@]1(C)CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001167509517 1024772708 /nfs/dbraw/zinc/77/27/08/1024772708.db2.gz OKWDHUPTQAZAND-PZJWPPBQSA-N 0 3 339.483 3.956 20 30 EHEDHN Cc1nc(C)c(CN2CCC(Nc3ccccc3C#N)CC2)s1 ZINC000602894297 1033247502 /nfs/dbraw/zinc/24/75/02/1033247502.db2.gz KRMYQNYONCLPJJ-UHFFFAOYSA-N 0 3 326.469 3.708 20 30 EHEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000281370163 1024977734 /nfs/dbraw/zinc/97/77/34/1024977734.db2.gz OKAHRUUWNHNMCQ-LLVKDONJSA-N 0 3 347.406 3.913 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](O)c1c(F)cccc1F ZINC000051377004 1025039250 /nfs/dbraw/zinc/03/92/50/1025039250.db2.gz XVCDYHVLAGAQGZ-SFHVURJKSA-N 0 3 330.378 3.782 20 30 EHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(F)cccc1Br ZINC000435747369 1025109803 /nfs/dbraw/zinc/10/98/03/1025109803.db2.gz HKEMKFIXZJPJDV-XHDPSFHLSA-N 0 3 328.225 3.659 20 30 EHEDHN CCOc1cccc(/C=N/C[C@H](c2ccc(F)cc2)N(C)C)c1O ZINC000126916936 1025156096 /nfs/dbraw/zinc/15/60/96/1025156096.db2.gz YUNHALDRPYROBC-KKJJZKEWSA-N 0 3 330.403 3.652 20 30 EHEDHN CN(C)[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccc(F)cc1 ZINC000126920441 1025184648 /nfs/dbraw/zinc/18/46/48/1025184648.db2.gz KMPOGABCMLDBLM-OZNZCJATSA-N 0 3 337.398 3.801 20 30 EHEDHN C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(C2CCCC2)CC1 ZINC000515358176 1025192819 /nfs/dbraw/zinc/19/28/19/1025192819.db2.gz QTVCLERXUVMJPS-UHFFFAOYSA-N 0 3 345.535 3.507 20 30 EHEDHN N#C[C@@H]1CC[C@H](NCc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000442787200 1025476997 /nfs/dbraw/zinc/47/69/97/1025476997.db2.gz VEWJDVSMLGHXJU-QAPCUYQASA-N 0 3 325.456 3.987 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000451115374 1025549516 /nfs/dbraw/zinc/54/95/16/1025549516.db2.gz OSZZFCIQHBCCNE-SIFCLUCFSA-N 0 3 327.472 3.658 20 30 EHEDHN C=CCOc1cccc(CN[C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000443007532 1025659375 /nfs/dbraw/zinc/65/93/75/1025659375.db2.gz PCZIXHHBWBCJCY-FQEVSTJZSA-N 0 3 342.483 3.665 20 30 EHEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)NCc1cccc(C#N)c1 ZINC000521823470 1025712400 /nfs/dbraw/zinc/71/24/00/1025712400.db2.gz XOPMVNISVPJJIU-FQEVSTJZSA-N 0 3 335.451 3.648 20 30 EHEDHN CCN1CCCC[C@@H]1CNC(=O)c1cn(C)nc1C1CCCCC1 ZINC000329363806 1025782601 /nfs/dbraw/zinc/78/26/01/1025782601.db2.gz JIMDHLRHKLONPA-MRXNPFEDSA-N 0 3 332.492 3.647 20 30 EHEDHN COc1cc(CNCc2ccc(C#N)c(C)c2)ccc1OC(F)F ZINC000582339684 1025897117 /nfs/dbraw/zinc/89/71/17/1025897117.db2.gz GTEFUGRMQDJPLM-UHFFFAOYSA-N 0 3 332.350 3.767 20 30 EHEDHN C[C@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(C#N)cc1F ZINC000611587631 1025919641 /nfs/dbraw/zinc/91/96/41/1025919641.db2.gz GUQTZZXUEOMXGQ-WFASDCNBSA-N 0 3 345.368 3.905 20 30 EHEDHN C=CCCOCCCCC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000425602576 1026013028 /nfs/dbraw/zinc/01/30/28/1026013028.db2.gz HYUQYPSJSFTANA-IBGZPJMESA-N 0 3 344.499 3.659 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000186308214 1026454672 /nfs/dbraw/zinc/45/46/72/1026454672.db2.gz OEHUPOXONIKQAK-KRWDZBQOSA-N 0 3 347.462 3.648 20 30 EHEDHN C=CCCC1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000475319023 1026463362 /nfs/dbraw/zinc/46/33/62/1026463362.db2.gz PLUPTLTWMZYMBJ-IBGZPJMESA-N 0 3 326.484 3.904 20 30 EHEDHN C=CCC[C@H](C(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000452174430 1026524128 /nfs/dbraw/zinc/52/41/28/1026524128.db2.gz QBJWLAJMTNOGPY-XLIONFOSSA-N 0 3 326.484 3.679 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000192998479 1026661810 /nfs/dbraw/zinc/66/18/10/1026661810.db2.gz QSYBMZFMSRPABQ-HUUCEWRRSA-N 0 3 338.407 3.772 20 30 EHEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301848644 1026963853 /nfs/dbraw/zinc/96/38/53/1026963853.db2.gz AAENHUDKFNIMNA-UHFFFAOYSA-N 0 3 333.432 3.834 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000135585039 1027084461 /nfs/dbraw/zinc/08/44/61/1027084461.db2.gz CJUAEXMQYXCWDB-QFBILLFUSA-N 0 3 348.450 3.651 20 30 EHEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1cccc2ccccc21 ZINC000046528670 1027656301 /nfs/dbraw/zinc/65/63/01/1027656301.db2.gz WJANLRDIUUNCEV-FQEVSTJZSA-N 0 3 346.430 3.583 20 30 EHEDHN C[C@H]1CCN(c2ncc(C#N)cc2Cl)CCN1Cc1ccccc1 ZINC000078689207 1028095221 /nfs/dbraw/zinc/09/52/21/1028095221.db2.gz FWEOEBAHBXZNQE-HNNXBMFYSA-N 0 3 340.858 3.707 20 30 EHEDHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000444751257 1028238624 /nfs/dbraw/zinc/23/86/24/1028238624.db2.gz CQPASTUSZQRUCG-DLBZAZTESA-N 0 3 345.462 3.829 20 30 EHEDHN Cc1ccc([C@H](CNCc2ccc(C#N)c(F)c2)N2CCCC2)o1 ZINC000421342584 1028283670 /nfs/dbraw/zinc/28/36/70/1028283670.db2.gz NYXOIFFJWCJLDW-SFHVURJKSA-N 0 3 327.403 3.526 20 30 EHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429591653 1028588612 /nfs/dbraw/zinc/58/86/12/1028588612.db2.gz OPHQOWUZSYWOMM-BZUAXINKSA-N 0 3 345.512 3.997 20 30 EHEDHN C=CC[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000523896296 1028699543 /nfs/dbraw/zinc/69/95/43/1028699543.db2.gz SYBVIXZFZHHKQU-JKSUJKDBSA-N 0 3 335.517 3.785 20 30 EHEDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000421712632 1028709331 /nfs/dbraw/zinc/70/93/31/1028709331.db2.gz QZINWRLCUJMDPN-KRWDZBQOSA-N 0 3 349.434 3.517 20 30 EHEDHN Cc1cc(C)c(-c2csc(NC(=O)[C@@H](N)CCCC#N)n2)cc1C ZINC000424080959 1028781177 /nfs/dbraw/zinc/78/11/77/1028781177.db2.gz UNJKQOCLQQNSPG-HNNXBMFYSA-N 0 3 342.468 3.695 20 30 EHEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000424135710 1028824960 /nfs/dbraw/zinc/82/49/60/1028824960.db2.gz ZSCDOHLMWRGNHG-IUODEOHRSA-N 0 3 341.377 3.636 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000424146664 1028835030 /nfs/dbraw/zinc/83/50/30/1028835030.db2.gz PYAADJPBJBGKBI-OAHLLOKOSA-N 0 3 339.443 3.570 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](C)c2ccccc2)c1 ZINC000154263912 1029079074 /nfs/dbraw/zinc/07/90/74/1029079074.db2.gz NAOPGFOGTZALAF-GOSISDBHSA-N 0 3 335.451 3.901 20 30 EHEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)Nc2cccc(C)c2)cc1 ZINC000127740986 1029213791 /nfs/dbraw/zinc/21/37/91/1029213791.db2.gz QBTJSMMDXIORIC-IBGZPJMESA-N 0 3 334.419 3.974 20 30 EHEDHN N#CCc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000078248016 1029243651 /nfs/dbraw/zinc/24/36/51/1029243651.db2.gz QAXAJDARVXYXHC-FQEVSTJZSA-N 0 3 348.450 3.711 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H](C)C(C)(C)C)c1C ZINC000533250356 1029527585 /nfs/dbraw/zinc/52/75/85/1029527585.db2.gz AUTFKJCXTIBGON-QGZVFWFLSA-N 0 3 329.488 3.917 20 30 EHEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000192500359 1029714571 /nfs/dbraw/zinc/71/45/71/1029714571.db2.gz BOZWSSQZHZJLCX-IBGZPJMESA-N 0 3 339.826 3.891 20 30 EHEDHN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NCc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000163079123 1029885842 /nfs/dbraw/zinc/88/58/42/1029885842.db2.gz KWTQQGICTIMIGB-QINHECLXSA-N 0 3 336.439 3.913 20 30 EHEDHN CC[C@H](CN(CC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000481768050 1029934067 /nfs/dbraw/zinc/93/40/67/1029934067.db2.gz PDOBKEPZRRBQOA-DBXWQHBBSA-N 0 3 343.515 3.945 20 30 EHEDHN CCc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000531866439 1029935609 /nfs/dbraw/zinc/93/56/09/1029935609.db2.gz CKAYFGBQKPXOHT-HNNXBMFYSA-N 0 3 327.403 3.611 20 30 EHEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OC[C@H]2CCOC2)c1 ZINC000447586836 1030320387 /nfs/dbraw/zinc/32/03/87/1030320387.db2.gz PBBNZGATOMDPPO-JENIJYKNSA-N 0 3 328.456 3.582 20 30 EHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc2c(c1)OCCO2 ZINC000567987304 1030465470 /nfs/dbraw/zinc/46/54/70/1030465470.db2.gz BSRHTLQVTPQSQH-LJQANCHMSA-N 0 3 334.419 3.887 20 30 EHEDHN C=CCc1cc(CN(C)[C@@H](CCO)c2ccccc2)cc(OC)c1O ZINC000093442488 1030612828 /nfs/dbraw/zinc/61/28/28/1030612828.db2.gz XSANHXQGZHNQKO-IBGZPJMESA-N 0 3 341.451 3.685 20 30 EHEDHN CC(C)(C)C[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000527127939 1030653067 /nfs/dbraw/zinc/65/30/67/1030653067.db2.gz DAMQKKAEDGHZKP-INIZCTEOSA-N 0 3 347.890 3.969 20 30 EHEDHN COc1ccccc1[C@H](CNc1nc(C)ccc1C#N)N1CCCC1 ZINC000160320202 1030682630 /nfs/dbraw/zinc/68/26/30/1030682630.db2.gz XSDPIWMFVGYLEF-SFHVURJKSA-N 0 3 336.439 3.519 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cc(C)c(C)o1 ZINC000128729331 1030716248 /nfs/dbraw/zinc/71/62/48/1030716248.db2.gz FLCVFIYBPSSBFC-MRXNPFEDSA-N 0 3 338.407 3.982 20 30 EHEDHN C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)N(CCC#N)c1ccccc1 ZINC000115556184 1030881470 /nfs/dbraw/zinc/88/14/70/1030881470.db2.gz RFPOVMNHNCVWQF-AZUAARDMSA-N 0 3 347.462 3.811 20 30 EHEDHN CC[C@@H](NCc1cccc(S(=O)(=O)CC)c1)c1ccc(C#N)cc1 ZINC000343467586 1031016359 /nfs/dbraw/zinc/01/63/59/1031016359.db2.gz SVEQZQUTMFTTQC-LJQANCHMSA-N 0 3 342.464 3.593 20 30 EHEDHN C=CCSc1ccccc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000584012072 1031414962 /nfs/dbraw/zinc/41/49/62/1031414962.db2.gz YCSALXCEFFGMMR-JFIYKMOQSA-N 0 3 344.524 3.767 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000083216835 1031484718 /nfs/dbraw/zinc/48/47/18/1031484718.db2.gz BZWYIWKQFANISI-DLBZAZTESA-N 0 3 329.488 3.518 20 30 EHEDHN CC1(C)CN(CCOc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000484362276 1031545959 /nfs/dbraw/zinc/54/59/59/1031545959.db2.gz SHTRCQAGHJKFBL-OAHLLOKOSA-N 0 3 326.362 3.847 20 30 EHEDHN C=CCN(CC(=O)NCc1ccc(COC)cc1)CC1CCCCC1 ZINC000484689382 1031885935 /nfs/dbraw/zinc/88/59/35/1031885935.db2.gz MGMKTOQPJBANDE-UHFFFAOYSA-N 0 3 344.499 3.518 20 30 EHEDHN CN(C)C[C@@H](Nc1cccc(C#N)n1)c1ccc(Cl)c(Cl)c1 ZINC000528211197 1031911507 /nfs/dbraw/zinc/91/15/07/1031911507.db2.gz FDFYMGJFLYPBNI-OAHLLOKOSA-N 0 3 335.238 3.975 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)C1 ZINC000455911045 1031954825 /nfs/dbraw/zinc/95/48/25/1031954825.db2.gz DHWORBZYCAHARL-UZLBHIALSA-N 0 3 348.450 3.710 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000594428627 1033365145 /nfs/dbraw/zinc/36/51/45/1033365145.db2.gz NIOYGWRZWMVKGM-LJQANCHMSA-N 0 3 337.423 3.506 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1cccs1 ZINC000063482958 1033388487 /nfs/dbraw/zinc/38/84/87/1033388487.db2.gz FXRZQBTWACBEBG-UHFFFAOYSA-N 0 3 325.437 3.637 20 30 EHEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(NC(N)=O)cc1 ZINC000594502786 1033405062 /nfs/dbraw/zinc/40/50/62/1033405062.db2.gz RRTFHVNSGLSRGG-AWEZNQCLSA-N 0 3 336.439 3.829 20 30 EHEDHN Cc1ccc(Cl)c2ccc(NC(=O)[C@@H](N)CCCCC#N)nc12 ZINC000594469478 1033408125 /nfs/dbraw/zinc/40/81/25/1033408125.db2.gz XWZKBWVCWCKACE-AWEZNQCLSA-N 0 3 330.819 3.546 20 30 EHEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000594517687 1033425466 /nfs/dbraw/zinc/42/54/66/1033425466.db2.gz LUDPHPKFUXBWQZ-AWEZNQCLSA-N 0 3 347.418 3.619 20 30 EHEDHN N#Cc1ccc(CN(C[C@H](O)c2cccc(Cl)c2)C2CC2)cc1 ZINC000173582391 1033436097 /nfs/dbraw/zinc/43/60/97/1033436097.db2.gz GNKJPPZPALZRPS-IBGZPJMESA-N 0 3 326.827 3.910 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2ccccc2)cc1 ZINC000173790927 1033527922 /nfs/dbraw/zinc/52/79/22/1033527922.db2.gz KGQPQMHOMXTWQM-QZTJIDSGSA-N 0 3 335.451 3.981 20 30 EHEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000594915703 1033544485 /nfs/dbraw/zinc/54/44/85/1033544485.db2.gz BJAYYSYAPCWYRD-HNNXBMFYSA-N 0 3 334.419 3.864 20 30 EHEDHN Cc1c(Br)cncc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000594937922 1033585917 /nfs/dbraw/zinc/58/59/17/1033585917.db2.gz JQRJAVIYSANECQ-QGZVFWFLSA-N 0 3 342.240 3.801 20 30 EHEDHN CN(C)C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1 ZINC000594958688 1033597484 /nfs/dbraw/zinc/59/74/84/1033597484.db2.gz VAKVNZROZPBUNN-FQEVSTJZSA-N 0 3 337.442 3.773 20 30 EHEDHN N#Cc1cccc(C2(NCc3ccc4ncccc4c3)CCOCC2)c1 ZINC000594985053 1033618435 /nfs/dbraw/zinc/61/84/35/1033618435.db2.gz UGFAIFDNJMOFAU-UHFFFAOYSA-N 0 3 343.430 3.902 20 30 EHEDHN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1OC1CC1 ZINC000598973903 1033620959 /nfs/dbraw/zinc/62/09/59/1033620959.db2.gz GMXXUEZTDJIQRL-LJQANCHMSA-N 0 3 334.419 3.885 20 30 EHEDHN CN1c2ccccc2C[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1=O ZINC000595058407 1033637907 /nfs/dbraw/zinc/63/79/07/1033637907.db2.gz BGDOXJXPZDPXDR-WOJBJXKFSA-N 0 3 345.446 3.503 20 30 EHEDHN C[C@H](CCc1cccc(F)c1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966684 1033638390 /nfs/dbraw/zinc/63/83/90/1033638390.db2.gz VHZOQHCQEVNUJV-RDTXWAMCSA-N 0 3 338.382 3.742 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc3c(cc2Cl)CCC3)CC1 ZINC000529285820 1033739081 /nfs/dbraw/zinc/73/90/81/1033739081.db2.gz GKZXVVFIQXTJSY-UHFFFAOYSA-N 0 3 333.863 3.601 20 30 EHEDHN CCCN(CCC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000108358331 1033789152 /nfs/dbraw/zinc/78/91/52/1033789152.db2.gz AVQVXXVRJHLTJF-OAHLLOKOSA-N 0 3 333.501 3.999 20 30 EHEDHN N#Cc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000595550943 1033857053 /nfs/dbraw/zinc/85/70/53/1033857053.db2.gz FJHCYAMZLIVWRJ-UHFFFAOYSA-N 0 3 330.435 3.889 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1C#N ZINC000174308808 1033902029 /nfs/dbraw/zinc/90/20/29/1033902029.db2.gz AETUKBQUINCWGG-HNNXBMFYSA-N 0 3 349.434 3.544 20 30 EHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CN(C)CC(C)(C)C ZINC000608886368 1033946516 /nfs/dbraw/zinc/94/65/16/1033946516.db2.gz AXVHNQSKVOKTAY-UHFFFAOYSA-N 0 3 329.488 3.521 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857049 1034011336 /nfs/dbraw/zinc/01/13/36/1034011336.db2.gz IGDICRPCZAHJDY-MHGPCZNRSA-N 0 3 325.456 3.585 20 30 EHEDHN CC(C)CC1(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000595830508 1034016058 /nfs/dbraw/zinc/01/60/58/1034016058.db2.gz GUEOLJOWTWHBEG-LBPRGKRZSA-N 0 3 331.485 3.604 20 30 EHEDHN C[C@H]1CN(Cc2ccc(CC#N)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583937 1034025133 /nfs/dbraw/zinc/02/51/33/1034025133.db2.gz SWOQNVLMBBUMLS-MAUKXSAKSA-N 0 3 328.456 3.552 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(C)c(F)c2)CC1 ZINC000119124506 1034095855 /nfs/dbraw/zinc/09/58/55/1034095855.db2.gz LVNGEPWOAZYGBR-OAHLLOKOSA-N 0 3 333.451 3.535 20 30 EHEDHN CCC(C#N)(CC)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000599942639 1034253068 /nfs/dbraw/zinc/25/30/68/1034253068.db2.gz WDYXJDILKJXXLG-SFHVURJKSA-N 0 3 345.487 3.523 20 30 EHEDHN CCc1cccc(OCCN(CCOC)Cc2ccc(C#N)cc2)c1 ZINC000604493181 1034400831 /nfs/dbraw/zinc/40/08/31/1034400831.db2.gz PKHBQTHWCQTZJD-UHFFFAOYSA-N 0 3 338.451 3.648 20 30 EHEDHN CN(C)CCN(Cc1ccccc1F)C(=O)CC1(C#N)CCCCC1 ZINC000596913098 1034452569 /nfs/dbraw/zinc/45/25/69/1034452569.db2.gz ZTVHVNZYVMXLLQ-UHFFFAOYSA-N 0 3 345.462 3.580 20 30 EHEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000926632762 1034529830 /nfs/dbraw/zinc/52/98/30/1034529830.db2.gz FOJVSZGHVMJRON-SWLSCSKDSA-N 0 3 344.377 3.927 20 30 EHEDHN N#CC1(c2ccc(CN3CCC[C@@](O)(C(F)(F)F)CC3)cc2)CC1 ZINC000597126203 1034562680 /nfs/dbraw/zinc/56/26/80/1034562680.db2.gz GYJGHHQOWLOFCT-KRWDZBQOSA-N 0 3 338.373 3.521 20 30 EHEDHN N#CC1(c2ccc(CN3CCC[C@](O)(C(F)(F)F)CC3)cc2)CC1 ZINC000597126206 1034562891 /nfs/dbraw/zinc/56/28/91/1034562891.db2.gz GYJGHHQOWLOFCT-QGZVFWFLSA-N 0 3 338.373 3.521 20 30 EHEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)cc(C)c1O ZINC000597212572 1034595694 /nfs/dbraw/zinc/59/56/94/1034595694.db2.gz VVRUKXQCZNINBC-UHFFFAOYSA-N 0 3 336.435 3.676 20 30 EHEDHN CC1(C)CC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)OC1 ZINC000892489504 1034841456 /nfs/dbraw/zinc/84/14/56/1034841456.db2.gz KYCFHBJRYGZULB-STQMWFEESA-N 0 3 348.830 3.583 20 30 EHEDHN N#Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)nc1 ZINC000593939508 1034872418 /nfs/dbraw/zinc/87/24/18/1034872418.db2.gz ZCGDWKWZQXSKLU-UHFFFAOYSA-N 0 3 335.407 3.627 20 30 EHEDHN N#CC(C(=O)c1cnn(-c2ccccc2)c1)c1ccc2ccccc2n1 ZINC000613290830 1035500221 /nfs/dbraw/zinc/50/02/21/1035500221.db2.gz NMDXCWADEDVYBS-SFHVURJKSA-N 0 3 338.370 3.911 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186450723 1035637349 /nfs/dbraw/zinc/63/73/49/1035637349.db2.gz CUYJYLRDWUZKMQ-IIBYNOLFSA-N 0 3 334.419 3.609 20 30 EHEDHN N#Cc1cc(CN[C@H]2c3ccccc3CC23CCOCC3)ccc1F ZINC000290184103 1035766661 /nfs/dbraw/zinc/76/66/61/1035766661.db2.gz RGMUCYPIELOONR-FQEVSTJZSA-N 0 3 336.410 3.881 20 30 EHEDHN COc1ccc(CNCc2ccc(C#N)c(C)c2)cc1OC(F)F ZINC000443961089 1035965115 /nfs/dbraw/zinc/96/51/15/1035965115.db2.gz PBOPALZWSLSJOC-UHFFFAOYSA-N 0 3 332.350 3.767 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661405196 1036060912 /nfs/dbraw/zinc/06/09/12/1036060912.db2.gz UBGIJDFERHIYTP-SFHVURJKSA-N 0 3 329.488 3.647 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000470362208 1036070992 /nfs/dbraw/zinc/07/09/92/1036070992.db2.gz CTVLMGDRTDCMMD-PMPSAXMXSA-N 0 3 349.906 3.772 20 30 EHEDHN C[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)N1CCc2ccccc2C1 ZINC000129663467 1036212943 /nfs/dbraw/zinc/21/29/43/1036212943.db2.gz YUZSDZOBEKFMBI-YQCVNYCESA-N 0 3 345.446 3.806 20 30 EHEDHN N#CC(C(=O)C[C@H]1C=CCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129673832 1036393427 /nfs/dbraw/zinc/39/34/27/1036393427.db2.gz RMEVWKKYIWOBQI-JQWIXIFHSA-N 0 3 337.206 3.997 20 30 EHEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000572766882 1036512342 /nfs/dbraw/zinc/51/23/42/1036512342.db2.gz QAVOBJJGGWOYQH-MOPGFXCFSA-N 0 3 325.843 3.747 20 30 EHEDHN CC(C)C[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1cccs1 ZINC000541626250 1036515344 /nfs/dbraw/zinc/51/53/44/1036515344.db2.gz VVJRBNLHFLWFJI-RLFYNMQTSA-N 0 3 335.517 3.868 20 30 EHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(=O)N(C)C)cc1 ZINC000589949345 1036675487 /nfs/dbraw/zinc/67/54/87/1036675487.db2.gz HLDIDAGHPYFXCX-JLTOFOAXSA-N 0 3 333.435 3.598 20 30 EHEDHN COc1cc(C)cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180338241 1036698082 /nfs/dbraw/zinc/69/80/82/1036698082.db2.gz HXKCWNPLDXNKFG-UHFFFAOYSA-N 0 3 346.434 3.566 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)n(C3CCOCC3)c2C)n1 ZINC000659010765 1036763180 /nfs/dbraw/zinc/76/31/80/1036763180.db2.gz ZKDJWGCSIJAMPL-MRXNPFEDSA-N 0 3 343.452 3.711 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@@H]1c1cccc(C)c1C ZINC000464782222 1036776764 /nfs/dbraw/zinc/77/67/64/1036776764.db2.gz VZLWUTXWWFNGSQ-OXQOHEQNSA-N 0 3 341.499 3.839 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2cc(C)ccc2C)CC1 ZINC000177959275 1036976890 /nfs/dbraw/zinc/97/68/90/1036976890.db2.gz AGJKJBFGSWXPFK-FQEVSTJZSA-N 0 3 341.499 3.800 20 30 EHEDHN N#Cc1ccc(O[C@@H]2CCN(CCCc3ccccc3Cl)C2)nc1 ZINC000428797265 1037165195 /nfs/dbraw/zinc/16/51/95/1037165195.db2.gz PRYXFGLRSKHIKG-QGZVFWFLSA-N 0 3 341.842 3.693 20 30 EHEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000352255841 1037308459 /nfs/dbraw/zinc/30/84/59/1037308459.db2.gz BVFBROJYGKDHOL-QGZVFWFLSA-N 0 3 328.387 3.955 20 30 EHEDHN CN(C)Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000171136762 1037472914 /nfs/dbraw/zinc/47/29/14/1037472914.db2.gz ZFMDXODENQEUER-UHFFFAOYSA-N 0 3 348.450 3.816 20 30 EHEDHN C#C[C@H](NC1CCC2(CC1)C(=O)Nc1ccccc12)c1ccc(F)cc1 ZINC000491755230 1037669018 /nfs/dbraw/zinc/66/90/18/1037669018.db2.gz ZBQMPDPQBRYTLD-OZWAEMERSA-N 0 3 348.421 3.922 20 30 EHEDHN CCc1nc2ccccc2n1C1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000290460007 1037698407 /nfs/dbraw/zinc/69/84/07/1037698407.db2.gz NAJFVJNJJJUBCV-UHFFFAOYSA-N 0 3 347.466 3.646 20 30 EHEDHN N#Cc1cccc(CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)c1F ZINC000592168587 1037913312 /nfs/dbraw/zinc/91/33/12/1037913312.db2.gz SJYDHTKVCVMXFQ-PMACEKPBSA-N 0 3 338.426 3.655 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000592507362 1038014342 /nfs/dbraw/zinc/01/43/42/1038014342.db2.gz XPRDWKGHTHBMGF-VQTJNVASSA-N 0 3 341.499 3.662 20 30 EHEDHN CCN(CC(=O)N(CCC#N)c1cccc(C)c1C)CC(C)(C)C ZINC000463360930 1038073545 /nfs/dbraw/zinc/07/35/45/1038073545.db2.gz XMOKMWBMGDINTF-UHFFFAOYSA-N 0 3 329.488 3.918 20 30 EHEDHN C=CCN(C(=O)[C@@H](CC)N(CC)CC)c1nc2c(s1)CCCC2 ZINC000461767041 1038600092 /nfs/dbraw/zinc/60/00/92/1038600092.db2.gz QILJHTRCOBVVTK-OAHLLOKOSA-N 0 3 335.517 3.661 20 30 EHEDHN N#CC(C(=O)c1ccc(-n2cccn2)cc1)c1nc2ccccc2s1 ZINC000041503089 1038814314 /nfs/dbraw/zinc/81/43/14/1038814314.db2.gz UVUHILDZQRCCMK-HNNXBMFYSA-N 0 3 344.399 3.972 20 30 EHEDHN Cc1sc(NC(=O)CN[C@@H](c2cccs2)C2CC2)c(C#N)c1C ZINC000539369643 1038832957 /nfs/dbraw/zinc/83/29/57/1038832957.db2.gz NHAABLRKTHZNBG-MRXNPFEDSA-N 0 3 345.493 3.978 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(CN(C)C)cc1F ZINC000910425410 1038906863 /nfs/dbraw/zinc/90/68/63/1038906863.db2.gz WXCUAZFSQHOVOK-UHFFFAOYSA-N 0 3 339.414 3.557 20 30 EHEDHN CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(C#N)c(C)c3)ccc2NC1=O ZINC000488143741 1038910229 /nfs/dbraw/zinc/91/02/29/1038910229.db2.gz GMNNPTOPKOSRQK-LIRRHRJNSA-N 0 3 349.434 3.827 20 30 EHEDHN C=C(C)CN(CC/C=C/c1cncc(OC)c1)Cc1ccc(CO)o1 ZINC000584587781 1039312506 /nfs/dbraw/zinc/31/25/06/1039312506.db2.gz CGOHWIRDOYGBEW-GQCTYLIASA-N 0 3 342.439 3.657 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C3CC3)cc2F)CC1 ZINC000488794273 1039398752 /nfs/dbraw/zinc/39/87/52/1039398752.db2.gz JHZCPQMOXGMNPI-UHFFFAOYSA-N 0 3 345.462 3.543 20 30 EHEDHN Cc1ccccc1OCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000128165057 1039402998 /nfs/dbraw/zinc/40/29/98/1039402998.db2.gz QXLVEIYYZXYBNE-QGZVFWFLSA-N 0 3 336.391 3.502 20 30 EHEDHN Cc1cc2ncc([C@H](C)N[C@@H]3CCCc4cc(C#N)ccc43)c(C)n2n1 ZINC000417372045 1039744053 /nfs/dbraw/zinc/74/40/53/1039744053.db2.gz VLWSKXFFTMSAMO-VBKZILBWSA-N 0 3 345.450 3.946 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1c(C)cc(C#N)cc1C)c1ccco1 ZINC000899075934 1039996089 /nfs/dbraw/zinc/99/60/89/1039996089.db2.gz IFYTWWIGYZWNQS-WBVHZDCISA-N 0 3 339.439 3.627 20 30 EHEDHN C=C(C)CN(C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000486347981 1040088660 /nfs/dbraw/zinc/08/86/60/1040088660.db2.gz QGQHJGOUWHLUTG-LJQANCHMSA-N 0 3 329.488 3.677 20 30 EHEDHN CCN(CC)c1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cn1 ZINC000236928003 1040231432 /nfs/dbraw/zinc/23/14/32/1040231432.db2.gz REIRNQMZIQAQBA-MRXNPFEDSA-N 0 3 338.455 3.508 20 30 EHEDHN C=CCC[C@@H](NC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1 ZINC000667798435 1040260867 /nfs/dbraw/zinc/26/08/67/1040260867.db2.gz BNEHOUAYVQUMMD-LJQANCHMSA-N 0 3 336.439 3.556 20 30 EHEDHN COc1cccc(N2CC[C@H](N[C@H](C)c3ccc(C#N)cc3F)C2)c1 ZINC000512612256 1040271459 /nfs/dbraw/zinc/27/14/59/1040271459.db2.gz OCCQWYLZVOFZJQ-ZBFHGGJFSA-N 0 3 339.414 3.635 20 30 EHEDHN C=CC[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000490204895 1040388180 /nfs/dbraw/zinc/38/81/80/1040388180.db2.gz RZHCGJIPQDMUFX-BVYCBKJFSA-N 0 3 348.490 3.983 20 30 EHEDHN C[C@@H](NC(=O)CN[C@H](CCCC#N)c1ccccc1)c1cccs1 ZINC000433011505 1040424582 /nfs/dbraw/zinc/42/45/82/1040424582.db2.gz GAOHSXFUTUDDKS-NVXWUHKLSA-N 0 3 341.480 3.950 20 30 EHEDHN CCOC(=O)CC(C)(C)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000490650983 1040649416 /nfs/dbraw/zinc/64/94/16/1040649416.db2.gz LRLIUTWGIXDOGL-UHFFFAOYSA-N 0 3 341.373 3.721 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cncc(Br)c1 ZINC000418147861 1040662982 /nfs/dbraw/zinc/66/29/82/1040662982.db2.gz RXBMVHDOVIWCPM-QGZVFWFLSA-N 0 3 342.240 3.883 20 30 EHEDHN C[S@](=O)Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000586795797 1041030381 /nfs/dbraw/zinc/03/03/81/1041030381.db2.gz IZXJJQKJPRUJLM-RDPSFJRHSA-N 0 3 338.476 3.604 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644245 1041057396 /nfs/dbraw/zinc/05/73/96/1041057396.db2.gz LEUODQDXZLNFAZ-HKUYNNGSSA-N 0 3 333.451 3.557 20 30 EHEDHN N#Cc1cccc(OCCCN2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000481701061 1041263973 /nfs/dbraw/zinc/26/39/73/1041263973.db2.gz YPNTYTDLABODRL-QFIPXVFZSA-N 0 3 348.446 3.849 20 30 EHEDHN C=CCC(CC=C)C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000500406647 1041383844 /nfs/dbraw/zinc/38/38/44/1041383844.db2.gz GMUAWYILOROXIA-HXUWFJFHSA-N 0 3 342.483 3.717 20 30 EHEDHN CN(C)[C@@H]1CCOc2c(Nc3ccc([N+](=O)[O-])cc3C#N)cccc21 ZINC000432138682 1041638396 /nfs/dbraw/zinc/63/83/96/1041638396.db2.gz MFODAIQUUGLSJG-QGZVFWFLSA-N 0 3 338.367 3.595 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2c(C)cccc2C)CC1 ZINC000660707263 1041779478 /nfs/dbraw/zinc/77/94/78/1041779478.db2.gz NDWIYTUEBQUZNS-IBGZPJMESA-N 0 3 341.499 3.800 20 30 EHEDHN C=CCCCCCCCN1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001279834334 1041887634 /nfs/dbraw/zinc/88/76/34/1041887634.db2.gz OBJRYNDUAFEBSU-XLIONFOSSA-N 0 3 329.488 3.540 20 30 EHEDHN C[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1CCO ZINC000661490078 1042145471 /nfs/dbraw/zinc/14/54/71/1042145471.db2.gz CNVBSFAXHATTPS-WMLDXEAASA-N 0 3 325.374 3.540 20 30 EHEDHN Cn1cc(CN2CC[C@H](CC(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000278904535 1042890116 /nfs/dbraw/zinc/89/01/16/1042890116.db2.gz VLEWDFHABWLXCE-CQSZACIVSA-N 0 3 348.372 3.733 20 30 EHEDHN CN(C(=O)c1ccccc1Oc1ccccc1C#N)[C@H]1CCCN(C)C1 ZINC000182032249 1043098454 /nfs/dbraw/zinc/09/84/54/1043098454.db2.gz RWHRRDMFCKBGME-KRWDZBQOSA-N 0 3 349.434 3.517 20 30 EHEDHN CN(CC(=O)Nc1ccc(C#N)cc1)C1CCC(C(F)(F)F)CC1 ZINC000344154075 1043341874 /nfs/dbraw/zinc/34/18/74/1043341874.db2.gz VJMFNAZSXRJRGL-UHFFFAOYSA-N 0 3 339.361 3.550 20 30 EHEDHN N#CCCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000344296243 1043612902 /nfs/dbraw/zinc/61/29/02/1043612902.db2.gz AOZZUHYZBCZFHF-UHFFFAOYSA-N 0 3 329.331 3.920 20 30 EHEDHN C[C@H](N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(C#N)cc1 ZINC000344309042 1043632243 /nfs/dbraw/zinc/63/22/43/1043632243.db2.gz URJVVRYZAFREAE-BBRMVZONSA-N 0 3 339.826 3.668 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000344353659 1043720429 /nfs/dbraw/zinc/72/04/29/1043720429.db2.gz CUAFYSIHPNDZTQ-VQIMIIECSA-N 0 3 348.450 3.651 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3ccc4c(c3)CCO4)CC2)cc1 ZINC000182138142 1044174434 /nfs/dbraw/zinc/17/44/34/1044174434.db2.gz JWZLOCLJJNOINC-UHFFFAOYSA-N 0 3 333.435 3.570 20 30 EHEDHN C=CCOc1c(Cl)cc(CNCc2ccc(CO)cc2)cc1OC ZINC000623557052 1126985187 /nfs/dbraw/zinc/98/51/87/1126985187.db2.gz IEVIHDAOVKEEEY-UHFFFAOYSA-N 0 3 347.842 3.696 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)C1(C#N)CCCCC1)c1ccsc1 ZINC000057431210 1128049209 /nfs/dbraw/zinc/04/92/09/1128049209.db2.gz RFWYCFOBQRODFV-MRXNPFEDSA-N 0 3 333.501 3.721 20 30 EHEDHN Cc1cc(N2CCN(Cc3cccc4ccccc43)CC2)cc(C#N)n1 ZINC000553250981 1128400196 /nfs/dbraw/zinc/40/01/96/1128400196.db2.gz WQIMHKLJCDCJCO-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN C[C@H](NC[C@@](C)(O)c1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000765812122 1128429766 /nfs/dbraw/zinc/42/97/66/1128429766.db2.gz AFZNBRZZJVASOO-KPZWWZAWSA-N 0 3 332.806 3.909 20 30 EHEDHN N#Cc1cccnc1NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000301195585 1128578266 /nfs/dbraw/zinc/57/82/66/1128578266.db2.gz NWLHYCIIOLILCH-UHFFFAOYSA-N 0 3 340.858 3.931 20 30 EHEDHN N#Cc1nc(Nc2cccc(CN3CCSCC3)c2)ccc1Cl ZINC000301533190 1128595500 /nfs/dbraw/zinc/59/55/00/1128595500.db2.gz QCTYHWJWXSDCEV-UHFFFAOYSA-N 0 3 344.871 3.899 20 30 EHEDHN COc1ccc(C#N)cc1CN1CC[C@@H](COCc2ccccc2)C1 ZINC000153847741 1128758373 /nfs/dbraw/zinc/75/83/73/1128758373.db2.gz FVLDOQVHQDCQIS-LJQANCHMSA-N 0 3 336.435 3.606 20 30 EHEDHN C#CCN(C(=O)N[C@@H](CC)c1cccc(Cl)c1)C1CCN(C)CC1 ZINC000914052722 1120373208 /nfs/dbraw/zinc/37/32/08/1120373208.db2.gz AZURBTFTUDPUGA-SFHVURJKSA-N 0 3 347.890 3.530 20 30 EHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(CC#N)c1 ZINC000187320439 1120493615 /nfs/dbraw/zinc/49/36/15/1120493615.db2.gz PVDFELHKKYGHTN-NRFANRHFSA-N 0 3 349.478 3.639 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCC(C)(C)CC1 ZINC000494434753 1120557886 /nfs/dbraw/zinc/55/78/86/1120557886.db2.gz ZJTTXEGYEBJSRZ-UHFFFAOYSA-N 0 3 341.499 3.665 20 30 EHEDHN Cc1cc(N2CCc3cnccc32)n2c3ccccc3nc2c1C#N ZINC000487778737 1120604865 /nfs/dbraw/zinc/60/48/65/1120604865.db2.gz DXGRUAFRPKFJRH-UHFFFAOYSA-N 0 3 325.375 3.757 20 30 EHEDHN COc1ccc(O)c(/C=N\CC(C)(C)N2CCc3ccccc3C2)c1 ZINC000914557851 1120896358 /nfs/dbraw/zinc/89/63/58/1120896358.db2.gz MKDYTWDDCOZYJB-XKZIYDEJSA-N 0 3 338.451 3.657 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)C2(Br)CC2)c1 ZINC000925416672 1120932916 /nfs/dbraw/zinc/93/29/16/1120932916.db2.gz DNNHBFOQAJNONJ-TZMCWYRMSA-N 0 3 337.261 3.773 20 30 EHEDHN C[C@H](CCC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000542535477 1120934410 /nfs/dbraw/zinc/93/44/10/1120934410.db2.gz QOQPPNRKFNWTON-QGZVFWFLSA-N 0 3 343.515 3.911 20 30 EHEDHN C=CC[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000250127673 1120954684 /nfs/dbraw/zinc/95/46/84/1120954684.db2.gz WMBGRTLIZDBCNP-PCCBWWKXSA-N 0 3 334.463 3.908 20 30 EHEDHN C[C@H](NC[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(C#N)cc1F ZINC000495281163 1121036694 /nfs/dbraw/zinc/03/66/94/1121036694.db2.gz JZKWTPRDUPIQDG-SJCJKPOMSA-N 0 3 347.434 3.651 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc(Cl)ccc2OC(C)C)CC1 ZINC000171714826 1121501788 /nfs/dbraw/zinc/50/17/88/1121501788.db2.gz AGCAPZBESOHNEC-UHFFFAOYSA-N 0 3 336.863 3.507 20 30 EHEDHN C[C@H](C/N=C\c1cc(Br)ccc1[O-])[NH+]1CCCCCC1 ZINC000915978848 1122003910 /nfs/dbraw/zinc/00/39/10/1122003910.db2.gz BABCWSXWNCVPIR-FDIDITGRSA-N 0 3 339.277 3.838 20 30 EHEDHN CC(C)(C)OC(=O)NC1CC(N[C@@H](CCC#N)c2ccccc2)C1 ZINC000496510523 1122107702 /nfs/dbraw/zinc/10/77/02/1122107702.db2.gz FTDWFTYBPYBHDV-JCYILVPMSA-N 0 3 329.444 3.677 20 30 EHEDHN C=C[C@H](CC(=O)N(CCN(C)C)Cc1cccs1)c1ccccc1 ZINC000123746353 1122263214 /nfs/dbraw/zinc/26/32/14/1122263214.db2.gz UISBFEYVVCEGEG-QGZVFWFLSA-N 0 3 342.508 3.998 20 30 EHEDHN CC(C)CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917097102 1122497485 /nfs/dbraw/zinc/49/74/85/1122497485.db2.gz ZBHKAYBMBGQUDV-OAHLLOKOSA-N 0 3 341.480 3.983 20 30 EHEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000497422766 1122547072 /nfs/dbraw/zinc/54/70/72/1122547072.db2.gz SOKGFDMCBKCVCF-NRFANRHFSA-N 0 3 335.451 3.504 20 30 EHEDHN C=CCOc1ccc(CN[C@@H](CC)[C@@H](O)C(F)(F)F)cc1Cl ZINC000498368722 1122887135 /nfs/dbraw/zinc/88/71/35/1122887135.db2.gz CBFGGWCFWRUMEI-GXTWGEPZSA-N 0 3 337.769 3.696 20 30 EHEDHN C[C@H]1CCC[C@@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000498380098 1122897764 /nfs/dbraw/zinc/89/77/64/1122897764.db2.gz AUTZJQKOXCZSPX-FXAWDEMLSA-N 0 3 341.499 3.665 20 30 EHEDHN C[C@@H](CC(=O)OC(C)(C)C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000498810945 1123076231 /nfs/dbraw/zinc/07/62/31/1123076231.db2.gz XYPQUVZMBMCIOQ-ZDUSSCGKSA-N 0 3 341.373 3.767 20 30 EHEDHN C=CCSc1nc2ccccc2n1CN(CC)C[C@@H]1CCCO1 ZINC000919944981 1123241077 /nfs/dbraw/zinc/24/10/77/1123241077.db2.gz DVYGAEWJYRHKMR-HNNXBMFYSA-N 0 3 331.485 3.773 20 30 EHEDHN COc1ccc(COCCN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000609385201 1123567756 /nfs/dbraw/zinc/56/77/56/1123567756.db2.gz BWOKHDYHWLOBEV-UHFFFAOYSA-N 0 3 336.435 3.748 20 30 EHEDHN N#Cc1cccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000609627386 1123628932 /nfs/dbraw/zinc/62/89/32/1123628932.db2.gz IKBYOYVTZSOOQV-ZDUSSCGKSA-N 0 3 336.351 3.553 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(CCc2cccs2)CC1 ZINC000609822811 1123670203 /nfs/dbraw/zinc/67/02/03/1123670203.db2.gz DURNQDBGCMSUDT-MRXNPFEDSA-N 0 3 325.481 3.541 20 30 EHEDHN N#Cc1cc(NC[C@@H](c2ccco2)N2CCCCC2)nc2ccccc12 ZINC000609893377 1123688341 /nfs/dbraw/zinc/68/83/41/1123688341.db2.gz BAOAVPBFRKTKBC-IBGZPJMESA-N 0 3 346.434 3.760 20 30 EHEDHN N#Cc1ccccc1OCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000064641327 1123693492 /nfs/dbraw/zinc/69/34/92/1123693492.db2.gz TVPUASWLSDGLTE-FQEVSTJZSA-N 0 3 336.435 3.618 20 30 EHEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000610001816 1123710971 /nfs/dbraw/zinc/71/09/71/1123710971.db2.gz BWEMYVUOADTPDC-HKUYNNGSSA-N 0 3 327.472 3.834 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000180030290 1123920427 /nfs/dbraw/zinc/92/04/27/1123920427.db2.gz UHVVWNMQPNYPFV-HQJJXPTPSA-N 0 3 347.890 3.681 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ccc(Cl)c(C#N)n1 ZINC000499651060 1129163132 /nfs/dbraw/zinc/16/31/32/1129163132.db2.gz AAVSBZMZGPKTDW-LSDHHAIUSA-N 0 3 340.858 3.706 20 30 EHEDHN C#CCOc1ccccc1CNC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000734849021 1131287133 /nfs/dbraw/zinc/28/71/33/1131287133.db2.gz SUXRGJRQRXPVNA-FQEVSTJZSA-N 0 3 337.463 3.819 20 30 EHEDHN N#CCC1(CN[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000619535339 1125362404 /nfs/dbraw/zinc/36/24/04/1125362404.db2.gz RDNGMNAIPHZZRI-JKSUJKDBSA-N 0 3 349.272 3.953 20 30 EHEDHN Cn1cc(-c2ccc(CN[C@H]3CCc4cc(C#N)ccc43)s2)cn1 ZINC000619747760 1125401128 /nfs/dbraw/zinc/40/11/28/1125401128.db2.gz RWAYBPJYTKEAGW-SFHVURJKSA-N 0 3 334.448 3.797 20 30 EHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cccc2cnccc21 ZINC000183099927 1125441851 /nfs/dbraw/zinc/44/18/51/1125441851.db2.gz QSWYDWBIMBORAB-UHFFFAOYSA-N 0 3 331.419 3.755 20 30 EHEDHN C=CCOc1ccc(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)cc1 ZINC000673291132 1129271695 /nfs/dbraw/zinc/27/16/95/1129271695.db2.gz HLUSJYCGLPJOFL-YJBOKZPZSA-N 0 3 342.439 3.704 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3c[nH]c4ccccc34)nc21 ZINC000735791381 1131379189 /nfs/dbraw/zinc/37/91/89/1131379189.db2.gz XQVLUPFQMFKJQP-OAHLLOKOSA-N 0 3 328.375 3.772 20 30 EHEDHN N#Cc1ccc2ncc(CN3CCC[C@@H]3Cc3cccc(F)c3)n2c1 ZINC000092121041 1129533910 /nfs/dbraw/zinc/53/39/10/1129533910.db2.gz MJOAJPRDLFZYDP-GOSISDBHSA-N 0 3 334.398 3.552 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3OCCc4ccccc43)nc21 ZINC000735792113 1131380959 /nfs/dbraw/zinc/38/09/59/1131380959.db2.gz HUBHGDONIYAZAC-APWZRJJASA-N 0 3 345.402 3.752 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000058453564 1129944963 /nfs/dbraw/zinc/94/49/63/1129944963.db2.gz NQXONNIKAHJLEE-FQEVSTJZSA-N 0 3 348.450 3.825 20 30 EHEDHN N#CCCN(C(=O)CN(CC1CCCCC1)C1CC1)c1ccccc1 ZINC000059391070 1129985865 /nfs/dbraw/zinc/98/58/65/1129985865.db2.gz GCZUVYPCKIZRFY-UHFFFAOYSA-N 0 3 339.483 3.978 20 30 EHEDHN CCN(CC)[C@@H](CNCc1ccc(C#N)o1)c1ccccc1Cl ZINC000174240171 1130342805 /nfs/dbraw/zinc/34/28/05/1130342805.db2.gz HNHNYZWDMHKERD-SFHVURJKSA-N 0 3 331.847 3.977 20 30 EHEDHN C=C(C)CN1CCC(NC(=S)NC[C@H](CC)CCCC)CC1 ZINC000729942827 1130657786 /nfs/dbraw/zinc/65/77/86/1130657786.db2.gz UBAANCUAEOVPEE-MRXNPFEDSA-N 0 3 325.566 3.707 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC000731136782 1130772345 /nfs/dbraw/zinc/77/23/45/1130772345.db2.gz VZDOALRLYXTDDA-MJGOQNOKSA-N 0 3 340.467 3.902 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CCc3ccccc3C2)c1 ZINC000732592857 1130936349 /nfs/dbraw/zinc/93/63/49/1130936349.db2.gz CXKSOUXFFNBKKM-JXFKEZNVSA-N 0 3 346.430 3.838 20 30 EHEDHN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000733053446 1130987045 /nfs/dbraw/zinc/98/70/45/1130987045.db2.gz NJUIMUQSXWPQCJ-DAXOMENPSA-N 0 3 348.830 3.583 20 30 EHEDHN C#CCCOc1ccc(CNCc2cccc(NC(=O)CC)c2)cc1 ZINC000733324625 1131025431 /nfs/dbraw/zinc/02/54/31/1131025431.db2.gz ORBAQGWJUBKWIZ-UHFFFAOYSA-N 0 3 336.435 3.727 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccsc1 ZINC000739155741 1131494134 /nfs/dbraw/zinc/49/41/34/1131494134.db2.gz UQLVLXGFWVLSIM-JQWIXIFHSA-N 0 3 332.812 3.853 20 30 EHEDHN CCCCSCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000740536834 1131533093 /nfs/dbraw/zinc/53/30/93/1131533093.db2.gz XFWNNUQGLJMLRB-LBPRGKRZSA-N 0 3 338.860 3.911 20 30 EHEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172717453 1131818909 /nfs/dbraw/zinc/81/89/09/1131818909.db2.gz GEBZOFAPBVJUQD-UFYCRDLUSA-N 0 3 347.886 3.633 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1OC ZINC000743259759 1131882478 /nfs/dbraw/zinc/88/24/78/1131882478.db2.gz MZYIHIOUYOYHPA-GOSISDBHSA-N 0 3 337.423 3.636 20 30 EHEDHN CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979115 1131924135 /nfs/dbraw/zinc/92/41/35/1131924135.db2.gz BSYRQCKCPLNHPJ-SJORKVTESA-N 0 3 347.434 3.549 20 30 EHEDHN Cc1ccc(N2CCC[C@H](N[C@H](C)c3ccc(C#N)cc3)C2=O)cc1 ZINC000743469251 1131927586 /nfs/dbraw/zinc/92/75/86/1131927586.db2.gz QRBMSHAMKQXDSA-UZLBHIALSA-N 0 3 333.435 3.713 20 30 EHEDHN N#CCC1CCC(NCC(=O)c2cccc(Br)c2)CC1 ZINC001173324736 1132046894 /nfs/dbraw/zinc/04/68/94/1132046894.db2.gz VHCPQMOYVQAPAS-UHFFFAOYSA-N 0 3 335.245 3.694 20 30 EHEDHN CCC(CC)CN(CCC#N)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744405559 1132090442 /nfs/dbraw/zinc/09/04/42/1132090442.db2.gz RIFOYVDCNREOCC-QGZVFWFLSA-N 0 3 337.508 3.895 20 30 EHEDHN CN(C)Cc1ccccc1Nc1cc(Br)cnc1C#N ZINC001173929215 1132187767 /nfs/dbraw/zinc/18/77/67/1132187767.db2.gz LKTJEHZKMKBMFE-UHFFFAOYSA-N 0 3 331.217 3.521 20 30 EHEDHN C[C@H](c1ccco1)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000746124794 1132379733 /nfs/dbraw/zinc/37/97/33/1132379733.db2.gz YLPHOHCTRPKMRB-CHWSQXEVSA-N 0 3 339.420 3.759 20 30 EHEDHN N#Cc1ccc(NC(=O)CN(CCC2CC2)CC2CC2)cc1Cl ZINC001174826974 1132473787 /nfs/dbraw/zinc/47/37/87/1132473787.db2.gz OZOYQLIDBBLDRO-UHFFFAOYSA-N 0 3 331.847 3.662 20 30 EHEDHN C#C[C@H](NCc1cccc2c(Br)cccc12)[C@H]1CCCO1 ZINC001169498344 1132771914 /nfs/dbraw/zinc/77/19/14/1132771914.db2.gz ZWGRCEPZIUMKKP-ZWKOTPCHSA-N 0 3 344.252 3.873 20 30 EHEDHN COc1cc2c(cc1OC)[C@@H](C)N(CCc1ccc(C#N)cc1)CC2 ZINC001175882742 1132780200 /nfs/dbraw/zinc/78/02/00/1132780200.db2.gz KOAIISLFDFUCPY-OAHLLOKOSA-N 0 3 336.435 3.737 20 30 EHEDHN CC(C)[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000103330706 1132826039 /nfs/dbraw/zinc/82/60/39/1132826039.db2.gz MRGBYMWSRKZCMG-QZTJIDSGSA-N 0 3 326.440 3.584 20 30 EHEDHN C#CCCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000766915384 1132913548 /nfs/dbraw/zinc/91/35/48/1132913548.db2.gz GYBSRFKMBJQWOJ-UHFFFAOYSA-N 0 3 326.362 3.768 20 30 EHEDHN COCCN(CCC(=O)OC(C)(C)C)CCC1(C#N)CCCCC1 ZINC001176832894 1133004027 /nfs/dbraw/zinc/00/40/27/1133004027.db2.gz LTZJIQQVCSPKBW-UHFFFAOYSA-N 0 3 338.492 3.531 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(-c2ccc(F)cc2)no1 ZINC001177905282 1133111164 /nfs/dbraw/zinc/11/11/64/1133111164.db2.gz XRMDLLIJINAXAS-GFCCVEGCSA-N 0 3 341.367 3.863 20 30 EHEDHN C#CCOc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000768892813 1133197811 /nfs/dbraw/zinc/19/78/11/1133197811.db2.gz LWHCXIAOMYFBQR-UHFFFAOYSA-N 0 3 346.430 3.614 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN(C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000769025842 1133215262 /nfs/dbraw/zinc/21/52/62/1133215262.db2.gz ZZPNIKMYBBHOHK-KKSFZXQISA-N 0 3 336.435 3.723 20 30 EHEDHN Cc1ccc(CNCc2ccc(Oc3cnccn3)cc2)cc1C#N ZINC001179562679 1133258569 /nfs/dbraw/zinc/25/85/69/1133258569.db2.gz LOJRGPSPYQUGHU-UHFFFAOYSA-N 0 3 330.391 3.739 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCSCC(F)(F)F)c([O-])c1 ZINC000769549726 1133313178 /nfs/dbraw/zinc/31/31/78/1133313178.db2.gz UODGSKXJKYKNQL-GRSHGNNSSA-N 0 3 334.407 3.953 20 30 EHEDHN COc1cc(CN2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC001180142945 1133330869 /nfs/dbraw/zinc/33/08/69/1133330869.db2.gz SHBBTZFKBWIHCJ-MSOLQXFVSA-N 0 3 349.478 3.662 20 30 EHEDHN CC[C@@H]1CN(Cc2cccc(F)c2C#N)CCN1Cc1ccccc1 ZINC001180686555 1133406784 /nfs/dbraw/zinc/40/67/84/1133406784.db2.gz HFLNTYWPWWHYPZ-LJQANCHMSA-N 0 3 337.442 3.794 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001204302141 1133504519 /nfs/dbraw/zinc/50/45/19/1133504519.db2.gz DAPBSBADWGHCLP-QGZVFWFLSA-N 0 3 331.456 3.805 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc(-c2ccncc2)cs1)c1ccccc1 ZINC000772643489 1133711076 /nfs/dbraw/zinc/71/10/76/1133711076.db2.gz BZQRVSYNRACGJV-INIZCTEOSA-N 0 3 348.431 3.518 20 30 EHEDHN C=CCC[C@@H](NCc1cc(Br)nn1C)c1ccccc1 ZINC000785495694 1133714362 /nfs/dbraw/zinc/71/43/62/1133714362.db2.gz HGFOAHQAIPAYTI-OAHLLOKOSA-N 0 3 334.261 3.980 20 30 EHEDHN N#Cc1cccc(COC(=O)c2cccc(CN3CCCC3)c2)c1F ZINC000785721581 1133741696 /nfs/dbraw/zinc/74/16/96/1133741696.db2.gz BNUADQJRKCWLSG-UHFFFAOYSA-N 0 3 338.382 3.650 20 30 EHEDHN C=CC[C@H](N[C@H](C)c1ccc(N2CCNC2=O)cc1)c1ccncc1 ZINC000786830141 1133905812 /nfs/dbraw/zinc/90/58/12/1133905812.db2.gz PMVDRJIXJHAOBS-BEFAXECRSA-N 0 3 336.439 3.579 20 30 EHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(N2CCOC2=O)cc1 ZINC000787034193 1133941043 /nfs/dbraw/zinc/94/10/43/1133941043.db2.gz SIPDBKUYAJPRMN-JLTOFOAXSA-N 0 3 347.418 3.853 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)C[C@H](C)c1ccncc1)c1ccccc1 ZINC000787032691 1133941295 /nfs/dbraw/zinc/94/12/95/1133941295.db2.gz RRBNONQERSHKRR-IPELMVKDSA-N 0 3 349.434 3.552 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000787040651 1133941898 /nfs/dbraw/zinc/94/18/98/1133941898.db2.gz MDAJDMROSSFFFT-UAGQMJEPSA-N 0 3 338.407 3.668 20 30 EHEDHN C=C(Br)CN[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000796651842 1133943232 /nfs/dbraw/zinc/94/32/32/1133943232.db2.gz BYNWIPSVANAUNK-KGYLQXTDSA-N 0 3 347.297 3.519 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H](F)c1ccccc1)c1ccccc1 ZINC000787041699 1133943286 /nfs/dbraw/zinc/94/32/86/1133943286.db2.gz QNQBFJGJBOMUBV-FGTMMUONSA-N 0 3 338.382 3.674 20 30 EHEDHN CCCCC[C@@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787062044 1133951925 /nfs/dbraw/zinc/95/19/25/1133951925.db2.gz UTGNQAKDULBVSK-SJLPKXTDSA-N 0 3 328.456 3.960 20 30 EHEDHN C/C(C=Nn1cnnc1-c1ccccc1)=C/c1cccc([N+](=O)[O-])c1 ZINC000787151970 1133960456 /nfs/dbraw/zinc/96/04/56/1133960456.db2.gz NKRAEOAAQDCYQK-BYPWERGSSA-N 0 3 333.351 3.791 20 30 EHEDHN Cc1cccc(C2(O)CCN(Cc3ccc(C#N)c(C)c3)CC2)c1C ZINC000774908600 1134115820 /nfs/dbraw/zinc/11/58/20/1134115820.db2.gz MWTDQRMWUMKYEY-UHFFFAOYSA-N 0 3 334.463 3.967 20 30 EHEDHN C#CCC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC000788460367 1134127766 /nfs/dbraw/zinc/12/77/66/1134127766.db2.gz QECPCNZJPCWXOV-AZUAARDMSA-N 0 3 338.495 3.597 20 30 EHEDHN CN(C)[C@H]1CCOc2c(Nc3snc(Cl)c3C#N)cccc21 ZINC000788577182 1134147120 /nfs/dbraw/zinc/14/71/20/1134147120.db2.gz OCYPVYJSWMQQOF-LBPRGKRZSA-N 0 3 334.832 3.797 20 30 EHEDHN CN(C)Cc1ccc(C(=O)Nc2c(F)cc(C#N)cc2Cl)cc1 ZINC001187295101 1134323897 /nfs/dbraw/zinc/32/38/97/1134323897.db2.gz OHYCPWNQYBWKJL-UHFFFAOYSA-N 0 3 331.778 3.665 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(OCCCC)cc1 ZINC001189326366 1134571350 /nfs/dbraw/zinc/57/13/50/1134571350.db2.gz ITQUYDVCWRORHG-KRWDZBQOSA-N 0 3 331.460 3.637 20 30 EHEDHN CC[C@@](C)(NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000775389081 1134702158 /nfs/dbraw/zinc/70/21/58/1134702158.db2.gz DBMJOGZUUJZSTQ-OAQYLSRUSA-N 0 3 335.451 3.848 20 30 EHEDHN Cc1cccc2c1[C@H](NC1CCC(C#N)(c3ccccc3)CC1)C(=O)N2 ZINC001170358987 1134755193 /nfs/dbraw/zinc/75/51/93/1134755193.db2.gz KEZQWDATYXDYES-DHHCDUQHSA-N 0 3 345.446 3.982 20 30 EHEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)ccc2Br)C12CCC2 ZINC001170386313 1134762689 /nfs/dbraw/zinc/76/26/89/1134762689.db2.gz NDQPDFRGCWBAGF-CVEARBPZSA-N 0 3 349.272 3.758 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCC(=O)c4ccccc43)nc21 ZINC000793153419 1134864237 /nfs/dbraw/zinc/86/42/37/1134864237.db2.gz DRCVDPWDXZZWMF-HZPDHXFCSA-N 0 3 343.386 3.808 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CCC(=O)c4ccccc43)[nH]c21 ZINC000793153419 1134864245 /nfs/dbraw/zinc/86/42/45/1134864245.db2.gz DRCVDPWDXZZWMF-HZPDHXFCSA-N 0 3 343.386 3.808 20 30 EHEDHN C#CCOc1ccccc1CN1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000793322540 1134903959 /nfs/dbraw/zinc/90/39/59/1134903959.db2.gz KGYBHHNNBYISNZ-UHFFFAOYSA-N 0 3 349.474 3.577 20 30 EHEDHN COc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c([O-])c1 ZINC000793388063 1134920848 /nfs/dbraw/zinc/92/08/48/1134920848.db2.gz KFBGTFIXISWZLV-UHFFFAOYSA-N 0 3 336.435 3.895 20 30 EHEDHN CCCCCCCN1CCN(c2ccc(Br)cn2)CC1 ZINC001191961564 1134952064 /nfs/dbraw/zinc/95/20/64/1134952064.db2.gz XJKLNXZLRVDJMT-UHFFFAOYSA-N 0 3 340.309 3.937 20 30 EHEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1c1nc(Cl)c(C#N)s1 ZINC000804531699 1135109385 /nfs/dbraw/zinc/10/93/85/1135109385.db2.gz QZCBZJDTJSRQGG-CYBMUJFWSA-N 0 3 346.887 3.769 20 30 EHEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCCC2(CCCC2)C1 ZINC001193516480 1135150235 /nfs/dbraw/zinc/15/02/35/1135150235.db2.gz BDWRUNUMSVULNN-IDYZSHNDSA-N 0 3 345.531 3.962 20 30 EHEDHN CCCCCCCOC(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001194019460 1135215275 /nfs/dbraw/zinc/21/52/75/1135215275.db2.gz LMFRKTPBGVSLAI-UHFFFAOYSA-N 0 3 347.503 3.990 20 30 EHEDHN CCCCNC(=O)OC[C@@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC001194279993 1135247921 /nfs/dbraw/zinc/24/79/21/1135247921.db2.gz OLOXSGZGQGAKGZ-IBGZPJMESA-N 0 3 343.471 3.748 20 30 EHEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)C1 ZINC001195946837 1135498714 /nfs/dbraw/zinc/49/87/14/1135498714.db2.gz OLNXDEHZEYQTCE-IIBYNOLFSA-N 0 3 342.483 3.551 20 30 EHEDHN C#CCC(C)(C)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000807725720 1135564761 /nfs/dbraw/zinc/56/47/61/1135564761.db2.gz BVBIVHNKYUORKK-LJQANCHMSA-N 0 3 328.500 3.654 20 30 EHEDHN C#CC[C@@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC001197700869 1135727217 /nfs/dbraw/zinc/72/72/17/1135727217.db2.gz AEZXQMBCLXVJCS-QWHCGFSZSA-N 0 3 339.266 3.516 20 30 EHEDHN CN(C)c1ccccc1CN(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000809787991 1135892112 /nfs/dbraw/zinc/89/21/12/1135892112.db2.gz LCMOPJPXQJINAE-UHFFFAOYSA-N 0 3 336.483 3.734 20 30 EHEDHN CCCC[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000810126408 1135924852 /nfs/dbraw/zinc/92/48/52/1135924852.db2.gz XCZQRDBHYRWVKK-KGLIPLIRSA-N 0 3 329.469 3.983 20 30 EHEDHN CC(C)(COCC(F)F)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000810520108 1135968586 /nfs/dbraw/zinc/96/85/86/1135968586.db2.gz ALNVQVCZFBBLKC-JTQLQIEISA-N 0 3 338.379 3.780 20 30 EHEDHN CC(C)(C)N1CC[C@](F)(C(=O)C(C#N)c2ccc3ccccc3n2)C1 ZINC000810522120 1135968978 /nfs/dbraw/zinc/96/89/78/1135968978.db2.gz XGRZJNOHICGACN-MGPUTAFESA-N 0 3 339.414 3.624 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC001201171871 1135991542 /nfs/dbraw/zinc/99/15/42/1135991542.db2.gz LQNFNSHKFMBBFS-LBPRGKRZSA-N 0 3 344.311 3.930 20 30 EHEDHN Cc1cnc(C#N)c(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201475270 1136031851 /nfs/dbraw/zinc/03/18/51/1136031851.db2.gz RTEZIZPHTLEITG-MOPGFXCFSA-N 0 3 330.435 3.994 20 30 EHEDHN CCCCCCCCCCS(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC001201836739 1136068874 /nfs/dbraw/zinc/06/88/74/1136068874.db2.gz NSAGOROVADNIIT-SFHVURJKSA-N 0 3 344.565 3.627 20 30 EHEDHN N#Cc1ccc(N2CCC[C@H](NCc3cccc4ccoc43)C2=O)cc1 ZINC001201969964 1136080019 /nfs/dbraw/zinc/08/00/19/1136080019.db2.gz DIYYBOSWEGNVFP-IBGZPJMESA-N 0 3 345.402 3.590 20 30 EHEDHN O=C(Nc1ccc(Cl)cc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001202075202 1136095530 /nfs/dbraw/zinc/09/55/30/1136095530.db2.gz GOUFBSDHAPUZFR-GFCCVEGCSA-N 0 3 343.235 3.799 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001202266184 1136116505 /nfs/dbraw/zinc/11/65/05/1136116505.db2.gz RNDZBQYLQDRERX-LBPRGKRZSA-N 0 3 328.243 3.765 20 30 EHEDHN C=CCc1cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)c(OC)c1 ZINC000811793177 1136141409 /nfs/dbraw/zinc/14/14/09/1136141409.db2.gz TVNBDEKIKXGYLV-YLJYHZDGSA-N 0 3 343.467 3.663 20 30 EHEDHN N#C[C@H](OC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000776386970 1136173177 /nfs/dbraw/zinc/17/31/77/1136173177.db2.gz XVHDAOYXXSPSDK-PMACEKPBSA-N 0 3 340.467 3.914 20 30 EHEDHN Cc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC2CCCCC2)cc1C ZINC000850757537 1136300618 /nfs/dbraw/zinc/30/06/18/1136300618.db2.gz LWCPZPOWITZYBF-IPMKNSEASA-N 0 3 338.451 3.565 20 30 EHEDHN CC1(C)OC[C@@H]2C[C@@]21C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000850771483 1136303141 /nfs/dbraw/zinc/30/31/41/1136303141.db2.gz PGEZYVPNXJOMJP-NSTVUXKKSA-N 0 3 346.839 3.941 20 30 EHEDHN Cc1ccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1C ZINC000813216910 1136304248 /nfs/dbraw/zinc/30/42/48/1136304248.db2.gz HURUBCOGSMOCLV-HNNXBMFYSA-N 0 3 348.324 3.973 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000173197100 1136360844 /nfs/dbraw/zinc/36/08/44/1136360844.db2.gz DYWPUOVUOPVXCJ-BEFAXECRSA-N 0 3 345.462 3.569 20 30 EHEDHN C=CCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)(C)C ZINC000852554160 1136466061 /nfs/dbraw/zinc/46/60/61/1136466061.db2.gz DYRDYNHXZIAKCN-OAHLLOKOSA-N 0 3 334.423 3.510 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)C(=O)Nc1cccc(C#N)c1 ZINC000852781604 1136486563 /nfs/dbraw/zinc/48/65/63/1136486563.db2.gz MNOPSYNOOBLKLJ-LSDHHAIUSA-N 0 3 349.434 3.561 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1cccc2ccccc21)C(C)(F)F ZINC000815908749 1136646963 /nfs/dbraw/zinc/64/69/63/1136646963.db2.gz IJBNLFKTDJQUED-BXUZGUMPSA-N 0 3 330.334 3.778 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1cccc2ccccc21)C(C)(F)F ZINC000815908751 1136647010 /nfs/dbraw/zinc/64/70/10/1136647010.db2.gz IJBNLFKTDJQUED-RISCZKNCSA-N 0 3 330.334 3.778 20 30 EHEDHN CCOc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)ccc1OC ZINC000114505368 1136799640 /nfs/dbraw/zinc/79/96/40/1136799640.db2.gz GLGQMELUOQYHTM-HNNXBMFYSA-N 0 3 340.423 3.675 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCN(C3CCC3)C2=O)cc1 ZINC000858603896 1136981882 /nfs/dbraw/zinc/98/18/82/1136981882.db2.gz XPXDFJRJUSLHIQ-KSSFIOAISA-N 0 3 348.874 3.622 20 30 EHEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)C(F)(F)F ZINC000860467223 1137061736 /nfs/dbraw/zinc/06/17/36/1137061736.db2.gz GXICRRZESFFRFZ-GZMMTYOYSA-N 0 3 332.709 3.576 20 30 EHEDHN N#Cc1cccc(OC2CCN(CC[C@@H]3CC3(Cl)Cl)CC2)c1 ZINC000822606069 1137066193 /nfs/dbraw/zinc/06/61/93/1137066193.db2.gz JFXOVUAIGJHHAF-CQSZACIVSA-N 0 3 339.266 3.985 20 30 EHEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1c[nH]c3cccc(F)c13)C2 ZINC001136983439 1137163788 /nfs/dbraw/zinc/16/37/88/1137163788.db2.gz SDPINKCXDKFRPO-UZLBHIALSA-N 0 3 344.430 3.633 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cc(C(C)(C)C)cc3cccnc32)CC1 ZINC000862980502 1137166440 /nfs/dbraw/zinc/16/64/40/1137166440.db2.gz ZIZFSKPDMLDRSR-UHFFFAOYSA-N 0 3 349.478 3.816 20 30 EHEDHN C=CCc1cc(OC)cc(CN(Cc2cnn(CC)c2)C(C)C)c1O ZINC000844737075 1137251213 /nfs/dbraw/zinc/25/12/13/1137251213.db2.gz BLIGCGHLTOLGSV-UHFFFAOYSA-N 0 3 343.471 3.756 20 30 EHEDHN CCc1nc(SCC(=O)C(C#N)c2nc(C)cs2)sc1C ZINC000845326399 1137285168 /nfs/dbraw/zinc/28/51/68/1137285168.db2.gz VDEKDDKORDRAER-SNVBAGLBSA-N 0 3 337.495 3.747 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cn(Cc2cccc(F)c2)cn1 ZINC001171197606 1137306166 /nfs/dbraw/zinc/30/61/66/1137306166.db2.gz AVCOJYDJTLDBDE-MRXNPFEDSA-N 0 3 348.425 3.663 20 30 EHEDHN CC(C)(C)OC(=O)NCc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(F)c1 ZINC000846060535 1137331922 /nfs/dbraw/zinc/33/19/22/1137331922.db2.gz OYYNMXAMQXEMHA-CJNGLKHVSA-N 0 3 347.434 3.632 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001171221900 1137348178 /nfs/dbraw/zinc/34/81/78/1137348178.db2.gz WTVKLUZHJQKYHU-RDTXWAMCSA-N 0 3 342.389 3.921 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000866485400 1137358437 /nfs/dbraw/zinc/35/84/37/1137358437.db2.gz PZMBQPBWSGHMAN-KBPBESRZSA-N 0 3 336.391 3.957 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000866485402 1137358644 /nfs/dbraw/zinc/35/86/44/1137358644.db2.gz PZMBQPBWSGHMAN-KGLIPLIRSA-N 0 3 336.391 3.957 20 30 EHEDHN CCN(CC)c1ccc(CNC2CC(C#N)(c3ccccc3)C2)cn1 ZINC000126100479 1137386211 /nfs/dbraw/zinc/38/62/11/1137386211.db2.gz JYNHXVUGRWZAOP-UHFFFAOYSA-N 0 3 334.467 3.641 20 30 EHEDHN CCCCN(CCC#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171272143 1137387262 /nfs/dbraw/zinc/38/72/62/1137387262.db2.gz ODUGALGIIGHCRI-YOFSQIOKSA-N 0 3 339.483 3.838 20 30 EHEDHN CN(C)c1ccncc1NC(=O)c1ccc(C(C)(C)CCC#N)cc1 ZINC001148900534 1137437266 /nfs/dbraw/zinc/43/72/66/1137437266.db2.gz FOUBJVRWWNDWSH-UHFFFAOYSA-N 0 3 336.439 3.981 20 30 EHEDHN N#CC(C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)c1nc2ccccc2[nH]1 ZINC000870117039 1137477665 /nfs/dbraw/zinc/47/76/65/1137477665.db2.gz UDLXSXFPEXNLKJ-IXXDHKBRSA-N 0 3 335.407 3.525 20 30 EHEDHN C[C@H](CCc1ccc(F)cc1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000870135730 1137478597 /nfs/dbraw/zinc/47/85/97/1137478597.db2.gz DNCDUXYRWZZFQP-RDTXWAMCSA-N 0 3 338.382 3.742 20 30 EHEDHN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000870135490 1137478665 /nfs/dbraw/zinc/47/86/65/1137478665.db2.gz ASHOICKVFLNHJZ-QGZVFWFLSA-N 0 3 338.382 3.841 20 30 EHEDHN Cc1cc2c(CC(=O)C(C#N)C(=O)NC3CCCC3)csc2s1 ZINC000870158938 1137478809 /nfs/dbraw/zinc/47/88/09/1137478809.db2.gz MQNMZWPYIIFJBL-CQSZACIVSA-N 0 3 346.477 3.581 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001172310944 1137545894 /nfs/dbraw/zinc/54/58/94/1137545894.db2.gz MCWWQNIAMPSFIR-GUYCJALGSA-N 0 3 340.389 3.515 20 30 EHEDHN C=CCOC[C@@H]1CCC[C@@]12CN([C@H](C)CCO[C@H](C)CC)CCO2 ZINC001172341704 1137552389 /nfs/dbraw/zinc/55/23/89/1137552389.db2.gz XEPKEROKYZIGEX-YSTOQKLRSA-N 0 3 339.520 3.654 20 30 EHEDHN C=CCOC[C@H]1CCC[C@@]12CN([C@@H](C)CCO[C@@H](C)CC)CCO2 ZINC001172341703 1137552519 /nfs/dbraw/zinc/55/25/19/1137552519.db2.gz XEPKEROKYZIGEX-VNTMZGSJSA-N 0 3 339.520 3.654 20 30 EHEDHN C[NH+](C)C1(C)CCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000872392151 1137579285 /nfs/dbraw/zinc/57/92/85/1137579285.db2.gz UXZHAWJNCZYXDB-UHFFFAOYSA-N 0 3 329.473 3.955 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3nccnc3c2)c1 ZINC000873050082 1137588895 /nfs/dbraw/zinc/58/88/95/1137588895.db2.gz JZUVROFLVPIBCH-KRWDZBQOSA-N 0 3 332.407 3.601 20 30 EHEDHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2cccc(F)c2C#N)CC1 ZINC000873150708 1137591417 /nfs/dbraw/zinc/59/14/17/1137591417.db2.gz OJQYIOLTUXQEHE-SHTZXODSSA-N 0 3 347.434 3.623 20 30 EHEDHN C#C[C@H]1CC[C@H](NCc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000873197758 1137593611 /nfs/dbraw/zinc/59/36/11/1137593611.db2.gz AZGZUWHNTXUHAU-JOCQHMNTSA-N 0 3 337.822 3.806 20 30 EHEDHN CC(C)OC1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCC1 ZINC000873531965 1137601864 /nfs/dbraw/zinc/60/18/64/1137601864.db2.gz ABLDFKPQMFNFFQ-GFCCVEGCSA-N 0 3 326.318 3.624 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000876549003 1137655177 /nfs/dbraw/zinc/65/51/77/1137655177.db2.gz XUFOISQLAKFOFE-IBGZPJMESA-N 0 3 342.870 3.795 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000876653187 1137658250 /nfs/dbraw/zinc/65/82/50/1137658250.db2.gz PNMOKXCLZHQIPR-INIZCTEOSA-N 0 3 338.879 3.543 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000876732874 1137659992 /nfs/dbraw/zinc/65/99/92/1137659992.db2.gz IKAIJCYULXTCDY-CQSZACIVSA-N 0 3 342.270 3.739 20 30 EHEDHN CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H](N)CCCCC#N ZINC000877428759 1137676117 /nfs/dbraw/zinc/67/61/17/1137676117.db2.gz YAZFKXCUAWQXNS-IRXDYDNUSA-N 0 3 347.890 3.846 20 30 EHEDHN CO[C@]1(C)C[C@@H](N(C)CC[C@](C#N)(C(C)=O)c2ccccc2)C1(C)C ZINC000878152070 1137704560 /nfs/dbraw/zinc/70/45/60/1137704560.db2.gz FTYRUPJPRBLERN-NRSPTQNISA-N 0 3 342.483 3.562 20 30 EHEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1 ZINC000880097330 1137768046 /nfs/dbraw/zinc/76/80/46/1137768046.db2.gz NZSPKJJCUYKVPL-GFCCVEGCSA-N 0 3 335.329 3.702 20 30 EHEDHN N#CCC[C@@H](C#N)CN1CCC[C@H](c2cc(-c3ccccc3)[nH]n2)C1 ZINC000880275680 1137772722 /nfs/dbraw/zinc/77/27/22/1137772722.db2.gz UBODHGIGCCQCEF-WMZOPIPTSA-N 0 3 333.439 3.700 20 30 EHEDHN CC(C)(C)OCCCN1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000880415634 1137778172 /nfs/dbraw/zinc/77/81/72/1137778172.db2.gz UPBPFAOJHWUFPP-UHFFFAOYSA-N 0 3 335.536 3.673 20 30 EHEDHN CSCCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000131031685 1137845202 /nfs/dbraw/zinc/84/52/02/1137845202.db2.gz VEEXOVFZCZKUMI-GFCCVEGCSA-N 0 3 345.251 3.784 20 30 EHEDHN C=CCOc1cccc(CNCc2cccc(C3(C)OCCO3)c2)c1 ZINC000883127144 1137845624 /nfs/dbraw/zinc/84/56/24/1137845624.db2.gz NEMUBOGJQAFZTD-UHFFFAOYSA-N 0 3 339.435 3.761 20 30 EHEDHN C=CCC[C@@H](NCc1nn(C)cc1C(F)F)[C@H]1Cc2ccccc2O1 ZINC000883242872 1137850169 /nfs/dbraw/zinc/85/01/69/1137850169.db2.gz USIGEPGEIAOVRO-CRAIPNDOSA-N 0 3 347.409 3.786 20 30 EHEDHN COc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1Cl ZINC000132310386 1137865144 /nfs/dbraw/zinc/86/51/44/1137865144.db2.gz NDIGHGBDWLUKHD-CYBMUJFWSA-N 0 3 330.815 3.929 20 30 EHEDHN C=CCNC(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001202565862 1137876599 /nfs/dbraw/zinc/87/65/99/1137876599.db2.gz FIBJLZFDFNFHRJ-NRFANRHFSA-N 0 3 349.478 3.659 20 30 EHEDHN CCOc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1F ZINC000106244834 1137883030 /nfs/dbraw/zinc/88/30/30/1137883030.db2.gz XHHZMPSBSCNIHW-UHFFFAOYSA-N 0 3 341.430 3.864 20 30 EHEDHN Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H](N4CC=CC4)C3)c2c1 ZINC000282888438 1137903943 /nfs/dbraw/zinc/90/39/43/1137903943.db2.gz SCOJVFVMNIEFFO-HNNXBMFYSA-N 0 3 338.842 3.519 20 30 EHEDHN COc1ccc(CNCc2ccc(O)c(F)c2)cc1OCCCC#N ZINC000120515145 1137950407 /nfs/dbraw/zinc/95/04/07/1137950407.db2.gz AOPPJPMUSBZAGS-UHFFFAOYSA-N 0 3 344.386 3.512 20 30 EHEDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(OC)cc1 ZINC000019625893 1137955700 /nfs/dbraw/zinc/95/57/00/1137955700.db2.gz GOVKYXWXKSIKFN-RDTXWAMCSA-N 0 3 337.423 3.635 20 30 EHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000136274347 1138021840 /nfs/dbraw/zinc/02/18/40/1138021840.db2.gz OXFONGKWARWLJX-AWEZNQCLSA-N 0 3 337.398 3.675 20 30 EHEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000136274378 1138021889 /nfs/dbraw/zinc/02/18/89/1138021889.db2.gz OXFONGKWARWLJX-CQSZACIVSA-N 0 3 337.398 3.675 20 30 EHEDHN N#Cc1cccc(OC2CCN(C[C@H]3CCC4(CCC4)CO3)CC2)c1 ZINC000885987786 1138030645 /nfs/dbraw/zinc/03/06/45/1138030645.db2.gz AYLKHIRKEWWORA-HXUWFJFHSA-N 0 3 340.467 3.751 20 30 EHEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1nc2ccccc2n1C(F)F ZINC000886158004 1138054099 /nfs/dbraw/zinc/05/40/99/1138054099.db2.gz PJBYMQWSCIPMCL-OLZOCXBDSA-N 0 3 348.397 3.527 20 30 EHEDHN CCOCOc1ccc(CNCc2ccc(SC)c(C#N)c2)cc1 ZINC000886277212 1138063485 /nfs/dbraw/zinc/06/34/85/1138063485.db2.gz KMHQHRAZWPKBPJ-UHFFFAOYSA-N 0 3 342.464 3.943 20 30 EHEDHN C#CCC1(NCc2ccc(Cl)cc2Br)CCOCC1 ZINC000886381523 1138072508 /nfs/dbraw/zinc/07/25/08/1138072508.db2.gz GUNUTMOQZYSMHB-UHFFFAOYSA-N 0 3 342.664 3.765 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000886766716 1138136078 /nfs/dbraw/zinc/13/60/78/1138136078.db2.gz PSZDBHRSSLUXBG-UHFFFAOYSA-N 0 3 329.362 3.531 20 30 EHEDHN C=C(C)COc1cc(CN2CCC(n3ccnc3)CC2)ccc1OC ZINC000092659320 1138230062 /nfs/dbraw/zinc/23/00/62/1138230062.db2.gz NPNVJXAJZQZYKW-UHFFFAOYSA-N 0 3 341.455 3.684 20 30 EHEDHN Cc1nccn1CCCN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000130691752 1138469681 /nfs/dbraw/zinc/46/96/81/1138469681.db2.gz RVQKCPWBVRHVHM-UHFFFAOYSA-N 0 3 335.373 3.584 20 30 EHEDHN C=CCN1CC[C@H](N[C@H](CCC)c2cccc(C(F)(F)F)c2)C1=O ZINC000337175621 1138485893 /nfs/dbraw/zinc/48/58/93/1138485893.db2.gz IEGBHNTZEYVBHG-CVEARBPZSA-N 0 3 340.389 3.923 20 30 EHEDHN C=CCn1c(S[C@H]2CCN(Cc3ccccc3)C2)nnc1C1CC1 ZINC000283000019 1138490686 /nfs/dbraw/zinc/49/06/86/1138490686.db2.gz KUDGENIAGULWNF-KRWDZBQOSA-N 0 3 340.496 3.708 20 30 EHEDHN N#Cc1csc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000337382122 1138551557 /nfs/dbraw/zinc/55/15/57/1138551557.db2.gz JPQFQEIUGNLRRH-OAHLLOKOSA-N 0 3 326.469 3.532 20 30 EHEDHN CCCc1ccc([C@H](NCC(=O)N(CC)CCC#N)C(C)C)cc1 ZINC000338423905 1138907949 /nfs/dbraw/zinc/90/79/49/1138907949.db2.gz TUVWAKCZNOAQKB-HXUWFJFHSA-N 0 3 329.488 3.688 20 30 EHEDHN CC[C@@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)N(CC)CC ZINC000265512139 1138937755 /nfs/dbraw/zinc/93/77/55/1138937755.db2.gz JXIZYBHNLKVIFN-HOCLYGCPSA-N 0 3 333.501 3.997 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](CC)Cc2ccccc2)CC1 ZINC000176498592 1139560488 /nfs/dbraw/zinc/56/04/88/1139560488.db2.gz LPENLHMELCLTQE-FQEVSTJZSA-N 0 3 343.515 3.690 20 30 EHEDHN CCN1CCN(c2ccccc2N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000179774600 1139781769 /nfs/dbraw/zinc/78/17/69/1139781769.db2.gz WXFPHXIIIPNMKJ-QGZVFWFLSA-N 0 3 334.467 3.873 20 30 EHEDHN CCc1nc2c(s1)[C@H](NCc1ccc(OCC#N)cc1)CCC2 ZINC000180560267 1139846060 /nfs/dbraw/zinc/84/60/60/1139846060.db2.gz XISNSJMVEDJPBB-OAHLLOKOSA-N 0 3 327.453 3.775 20 30 EHEDHN CCc1nc2c(s1)[C@@H](N(C)C[C@H](O)c1ccc(C#N)cc1)CCC2 ZINC000268738361 1140979172 /nfs/dbraw/zinc/97/91/72/1140979172.db2.gz PEYUHGALRDLYEM-IRXDYDNUSA-N 0 3 341.480 3.620 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000270233526 1141195302 /nfs/dbraw/zinc/19/53/02/1141195302.db2.gz AZXTVGBMCCWNHM-IBGZPJMESA-N 0 3 345.462 3.535 20 30 EHEDHN N#Cc1ccccc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000225536646 564149634 /nfs/dbraw/zinc/14/96/34/564149634.db2.gz KGWKEBYMPGKMLR-AWEZNQCLSA-N 0 3 334.345 3.680 20 30 EHEDHN C=CCC[C@@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823894368 608537820 /nfs/dbraw/zinc/53/78/20/608537820.db2.gz OJIDAQNHSBWBTO-GOSISDBHSA-N 0 3 337.402 3.803 20 30 EHEDHN C=CCC[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823894368 608537821 /nfs/dbraw/zinc/53/78/21/608537821.db2.gz OJIDAQNHSBWBTO-GOSISDBHSA-N 0 3 337.402 3.803 20 30 EHEDHN C=CC[C@@H]1[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2F)CCCC1(C)C ZINC001573329522 947420158 /nfs/dbraw/zinc/42/01/58/947420158.db2.gz KNZMTNLERMFTOE-INIZCTEOSA-N 0 3 329.423 3.573 20 30 EHEDHN C=CC[C@@H]1[N@H+](Cc2ccc(-c3nnn[n-]3)cc2F)CCCC1(C)C ZINC001573329522 947420163 /nfs/dbraw/zinc/42/01/63/947420163.db2.gz KNZMTNLERMFTOE-INIZCTEOSA-N 0 3 329.423 3.573 20 30 EHEDHN C=CC[C@@H]1[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2F)CCCC1(C)C ZINC001573329522 947420168 /nfs/dbraw/zinc/42/01/68/947420168.db2.gz KNZMTNLERMFTOE-INIZCTEOSA-N 0 3 329.423 3.573 20 30 EHEDHN C=CC[C@@H]1[N@H+](Cc2ccc(-c3nn[n-]n3)cc2F)CCCC1(C)C ZINC001573329522 947420170 /nfs/dbraw/zinc/42/01/70/947420170.db2.gz KNZMTNLERMFTOE-INIZCTEOSA-N 0 3 329.423 3.573 20 30 EHEDHN N#CC(C(=O)C=Cc1cc(Br)ccc1F)c1ccccn1 ZINC000049456404 1014179609 /nfs/dbraw/zinc/17/96/09/1014179609.db2.gz JAWRBGBUIQMCDI-WXJAXGNASA-N 0 3 345.171 3.873 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C2CC2)C2CCCC2)c1 ZINC000064808249 1014997835 /nfs/dbraw/zinc/99/78/35/1014997835.db2.gz HKJXXLKHHVCBFM-UHFFFAOYSA-N 0 3 339.483 3.957 20 30 EHEDHN CCCCN1Cc2ccc(N=Cc3ccc(O)c(O)c3O)cc2C1 ZINC000254949236 1015218119 /nfs/dbraw/zinc/21/81/19/1015218119.db2.gz BJFQMFYOJYNSAR-UHFFFAOYSA-N 0 3 326.396 3.670 20 30 EHEDHN C[C@H]1[C@@H](Nc2nc(Cl)c(C#N)s2)CCN1Cc1ccccc1 ZINC000306728336 1015576873 /nfs/dbraw/zinc/57/68/73/1015576873.db2.gz NNITWPLCMODESA-AAEUAGOBSA-N 0 3 332.860 3.743 20 30 EHEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCOC1 ZINC000510158367 1015872234 /nfs/dbraw/zinc/87/22/34/1015872234.db2.gz GJPUCMRYXAXAPQ-NRFANRHFSA-N 0 3 334.463 3.997 20 30 EHEDHN CCN(CCC#N)C(=O)CN(Cc1ccccc1)C1CCCCC1 ZINC000339935109 1015989675 /nfs/dbraw/zinc/98/96/75/1015989675.db2.gz LNMQYCOHDKVXNM-UHFFFAOYSA-N 0 3 327.472 3.583 20 30 EHEDHN Cc1ccccc1CN1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000610245488 1016066743 /nfs/dbraw/zinc/06/67/43/1016066743.db2.gz HLUQPNBPYVHZOG-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN N#Cc1c(F)cccc1CNC1(Cc2cccc(F)c2)CCOCC1 ZINC000584339586 1032146142 /nfs/dbraw/zinc/14/61/42/1032146142.db2.gz CTTXDWHLNHBRQI-UHFFFAOYSA-N 0 3 342.389 3.718 20 30 EHEDHN N#Cc1ccccc1OCCN1CCC2(CC1)OCCc1ccccc12 ZINC000459537723 1032239685 /nfs/dbraw/zinc/23/96/85/1032239685.db2.gz ZTWLLZVLDBOGBE-UHFFFAOYSA-N 0 3 348.446 3.501 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000538319617 1032292817 /nfs/dbraw/zinc/29/28/17/1032292817.db2.gz ACVROFOBAALZCZ-KXBFYZLASA-N 0 3 330.447 3.764 20 30 EHEDHN Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NCc1cccc(C#N)c1 ZINC000537060674 1032498095 /nfs/dbraw/zinc/49/80/95/1032498095.db2.gz NFCQRZBMABOQOU-OAQYLSRUSA-N 0 3 349.478 3.860 20 30 EHEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1Cl ZINC000594426453 1033388175 /nfs/dbraw/zinc/38/81/75/1033388175.db2.gz RGGQFXYAUPFMBB-IINYFYTJSA-N 0 3 328.243 3.582 20 30 EHEDHN N#Cc1c(F)cccc1CNCCCCOCCc1ccccc1 ZINC000602003361 1032589978 /nfs/dbraw/zinc/58/99/78/1032589978.db2.gz IMTIRKBWGSBMGU-UHFFFAOYSA-N 0 3 326.415 3.826 20 30 EHEDHN C[C@H]1[C@H](NC(=O)CC2(C#N)CCCCC2)CCN1Cc1ccccc1 ZINC000597654138 1032590910 /nfs/dbraw/zinc/59/09/10/1032590910.db2.gz QMQBIRKLGBXRKM-PKOBYXMFSA-N 0 3 339.483 3.630 20 30 EHEDHN Cc1ccccc1[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000537290769 1032598499 /nfs/dbraw/zinc/59/84/99/1032598499.db2.gz JXVLAHPBPMMTDE-QFBILLFUSA-N 0 3 339.483 3.767 20 30 EHEDHN Cc1cccc2c1ncc(C#N)c2NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000610273927 1017161011 /nfs/dbraw/zinc/16/10/11/1017161011.db2.gz FFHJCTLJGJIYIP-IBGZPJMESA-N 0 3 348.425 3.691 20 30 EHEDHN CN(C)Cc1cccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000188530715 1017874914 /nfs/dbraw/zinc/87/49/14/1017874914.db2.gz PLJAHYBMLZVKHW-UHFFFAOYSA-N 0 3 346.352 3.757 20 30 EHEDHN CN(CCOc1ccccc1C#N)Cc1cccc(Br)c1 ZINC000048554396 1017911691 /nfs/dbraw/zinc/91/16/91/1017911691.db2.gz XCXIDRMPRIIFFT-UHFFFAOYSA-N 0 3 345.240 3.832 20 30 EHEDHN Cc1ccc2nc(CNCCSCc3ccccc3C#N)cn2c1 ZINC000341035990 1018078694 /nfs/dbraw/zinc/07/86/94/1018078694.db2.gz ZHQMOWKKOHWLCO-UHFFFAOYSA-N 0 3 336.464 3.537 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccccc2Cn2ccnc2)cc1 ZINC000728711371 1018332435 /nfs/dbraw/zinc/33/24/35/1018332435.db2.gz AAAFWIWURSZJNG-KRWDZBQOSA-N 0 3 346.434 3.512 20 30 EHEDHN N#CCOc1ccc(CNCc2cccc(-c3ccccn3)c2)cc1 ZINC000178745124 1018612267 /nfs/dbraw/zinc/61/22/67/1018612267.db2.gz CYLHCPDHINSKKR-UHFFFAOYSA-N 0 3 329.403 3.941 20 30 EHEDHN CC(C)Oc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cn1 ZINC000126285242 1019095413 /nfs/dbraw/zinc/09/54/13/1019095413.db2.gz VOPVYUILWIHDEZ-UHFFFAOYSA-N 0 3 338.455 3.508 20 30 EHEDHN CCc1ccc([C@H](NCC(=O)NCc2cccc(C#N)c2)C(C)C)cc1 ZINC000513591666 1019856997 /nfs/dbraw/zinc/85/69/97/1019856997.db2.gz IKHYZOMOMSKVRI-JOCHJYFZSA-N 0 3 349.478 3.724 20 30 EHEDHN CC[C@@H](NCc1cc(C#N)ccc1Br)[C@@H]1CCCCO1 ZINC000594040116 1032861816 /nfs/dbraw/zinc/86/18/16/1032861816.db2.gz DJKHCTXNNCKEIM-CVEARBPZSA-N 0 3 337.261 3.758 20 30 EHEDHN COc1ccc(CNCc2ccc(CC#N)cc2)cc1OCCCC#N ZINC000580892113 1020192655 /nfs/dbraw/zinc/19/26/55/1020192655.db2.gz CMLZXYUWXYSYDL-UHFFFAOYSA-N 0 3 349.434 3.734 20 30 EHEDHN N#Cc1cnn2cc(CN[C@H](c3cccc(F)c3)C3CCCC3)cnc12 ZINC000581011623 1020353404 /nfs/dbraw/zinc/35/34/04/1020353404.db2.gz IYMRDVHWJRVPRH-IBGZPJMESA-N 0 3 349.413 3.761 20 30 EHEDHN N#Cc1csc(CN[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000610488703 1020569318 /nfs/dbraw/zinc/56/93/18/1020569318.db2.gz WSLJBFPSBLIUQQ-IBGZPJMESA-N 0 3 325.481 3.937 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(COc2ccccc2)n1 ZINC000280717422 1020604812 /nfs/dbraw/zinc/60/48/12/1020604812.db2.gz URPBGFWNDAVYNF-KXBFYZLASA-N 0 3 344.480 3.793 20 30 EHEDHN C[C@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(C2CC2)c1 ZINC000581296870 1020648292 /nfs/dbraw/zinc/64/82/92/1020648292.db2.gz LLMZEMQATYILLC-BTYIYWSLSA-N 0 3 345.446 3.892 20 30 EHEDHN C=CCCCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501023847 1020658506 /nfs/dbraw/zinc/65/85/06/1020658506.db2.gz AGDMVKMLTXBWBQ-QGZVFWFLSA-N 0 3 348.288 3.598 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1csc(Br)c1 ZINC000602509272 1032942627 /nfs/dbraw/zinc/94/26/27/1032942627.db2.gz DSDZHMXGGSSHAQ-NSHDSACASA-N 0 3 343.290 3.699 20 30 EHEDHN Cc1cccc([C@@H](C)N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000518426801 1021175260 /nfs/dbraw/zinc/17/52/60/1021175260.db2.gz LXOVXHRCEQNCMJ-UZLBHIALSA-N 0 3 333.435 3.631 20 30 EHEDHN Cc1ccc2oc(=NC3CCN(Cc4cccc(C#N)c4)CC3)[nH]c2c1 ZINC000593514513 1032968844 /nfs/dbraw/zinc/96/88/44/1032968844.db2.gz FCLLDMIAOMMIGQ-UHFFFAOYSA-N 0 3 346.434 3.506 20 30 EHEDHN CCc1[nH]c(CN[C@@H](CCCC#N)c2ccccc2)cc1C(=O)OC ZINC000894855867 1021439013 /nfs/dbraw/zinc/43/90/13/1021439013.db2.gz UUYWPQGPLYFIFS-IBGZPJMESA-N 0 3 339.439 3.888 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN([C@@H](C)C2CC2)C2CC2)c1 ZINC000047908688 1021908256 /nfs/dbraw/zinc/90/82/56/1021908256.db2.gz QWXOZMOUQXVOOU-KRWDZBQOSA-N 0 3 339.483 3.813 20 30 EHEDHN N#Cc1csc(CN(Cc2ccccc2)[C@H](CO)C2CCC2)c1 ZINC000592520257 1033017090 /nfs/dbraw/zinc/01/70/90/1033017090.db2.gz IKTBZHWWCSLGIA-LJQANCHMSA-N 0 3 326.465 3.783 20 30 EHEDHN N#Cc1ccc(CN(Cc2ccccc2)[C@@H](CO)C2CCC2)s1 ZINC000592520464 1033017364 /nfs/dbraw/zinc/01/73/64/1033017364.db2.gz OWMPRPHQZHGHAY-IBGZPJMESA-N 0 3 326.465 3.783 20 30 EHEDHN C[C@@H](CCc1ccc(OC(F)F)cc1)NCc1nc(C#N)cs1 ZINC000897629863 1033024070 /nfs/dbraw/zinc/02/40/70/1033024070.db2.gz ZSQIXLXBUPFOKV-NSHDSACASA-N 0 3 337.395 3.727 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCc3c2cccc3Cl)CC1 ZINC000517321187 1022242425 /nfs/dbraw/zinc/24/24/25/1022242425.db2.gz ZOUQHHVZRFTNEX-SFHVURJKSA-N 0 3 347.890 3.667 20 30 EHEDHN COc1cc(OC)cc(C2(F)CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000550078663 1022340478 /nfs/dbraw/zinc/34/04/78/1022340478.db2.gz DIEDQUNONOTAOS-HOCLYGCPSA-N 0 3 332.419 3.657 20 30 EHEDHN CCc1c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)[nH]c(C)c1C(C)=O ZINC000330583553 1022623973 /nfs/dbraw/zinc/62/39/73/1022623973.db2.gz KNKVSARRVLWSMU-CHWSQXEVSA-N 0 3 333.476 3.513 20 30 EHEDHN CC1(C)CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000331296767 1022792062 /nfs/dbraw/zinc/79/20/62/1022792062.db2.gz OHRRPGJBDLSHGI-UHFFFAOYSA-N 0 3 339.823 3.675 20 30 EHEDHN CN(Cc1cc(C#N)cs1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000933773068 1022971938 /nfs/dbraw/zinc/97/19/38/1022971938.db2.gz AZRLMRLJHOGZFR-CQSZACIVSA-N 0 3 349.500 3.699 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1CCCCCC1 ZINC000426168319 1023027059 /nfs/dbraw/zinc/02/70/59/1023027059.db2.gz YUNNSXLORWFPMV-UHFFFAOYSA-N 0 3 341.499 3.809 20 30 EHEDHN CCC(CC)[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000536420640 1023261089 /nfs/dbraw/zinc/26/10/89/1023261089.db2.gz NOXOIUZJYVVMMH-INIZCTEOSA-N 0 3 329.488 3.521 20 30 EHEDHN CC(C)(C)CN(CCC#N)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000341891633 1023629046 /nfs/dbraw/zinc/62/90/46/1023629046.db2.gz OKAFJJYSHAEBDY-HXUWFJFHSA-N 0 3 343.515 3.539 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2ccccc2C)CC1 ZINC000458319223 1023935154 /nfs/dbraw/zinc/93/51/54/1023935154.db2.gz KTKYJNHACHJVSM-UHFFFAOYSA-N 0 3 329.488 3.570 20 30 EHEDHN COc1ccc(CN2CCC[C@H]2c2cccc(N(C)C)c2)cc1C#N ZINC000610994366 1023999918 /nfs/dbraw/zinc/99/99/18/1023999918.db2.gz YKHJEWKIJWGKJD-FQEVSTJZSA-N 0 3 335.451 3.970 20 30 EHEDHN C=CCC[C@@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccco1 ZINC000514086051 1024116702 /nfs/dbraw/zinc/11/67/02/1024116702.db2.gz YSCJODCRTBHYMH-VQTJNVASSA-N 0 3 340.467 3.778 20 30 EHEDHN O=C(CC1(O)CCCC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000329762811 1024182833 /nfs/dbraw/zinc/18/28/33/1024182833.db2.gz SYWJUNSKEDXFDC-SFHVURJKSA-N 0 3 330.472 3.693 20 30 EHEDHN Cc1nc(C)c(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)s1 ZINC000329839106 1024217311 /nfs/dbraw/zinc/21/73/11/1024217311.db2.gz VZMFNVXBNFKMCT-CZUORRHYSA-N 0 3 344.484 3.921 20 30 EHEDHN Cn1c2ccc(F)cc2nc1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000330136669 1024332023 /nfs/dbraw/zinc/33/20/23/1024332023.db2.gz NKVFHXKANWMGJT-INIZCTEOSA-N 0 3 330.407 3.707 20 30 EHEDHN CN(Cc1ccc(C#N)s1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000119511077 1024370898 /nfs/dbraw/zinc/37/08/98/1024370898.db2.gz IZJNEQJMGCUATQ-KRWDZBQOSA-N 0 3 325.481 3.716 20 30 EHEDHN C[C@H](NCc1ccccc1-c1cnn(C)c1)c1ccc(C#N)c(F)c1 ZINC000346159735 1024474762 /nfs/dbraw/zinc/47/47/62/1024474762.db2.gz IBUXVUYBHKSNRV-AWEZNQCLSA-N 0 3 334.398 3.949 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCCc1ccccc1 ZINC000533880911 1024509548 /nfs/dbraw/zinc/50/95/48/1024509548.db2.gz NRMVHIDOJDIGQQ-IBGZPJMESA-N 0 3 349.478 3.886 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000428044060 1024954825 /nfs/dbraw/zinc/95/48/25/1024954825.db2.gz IZRYPUAQPHKGKT-MJGOQNOKSA-N 0 3 330.447 3.605 20 30 EHEDHN N#Cc1ccccc1NC1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000602899484 1033248124 /nfs/dbraw/zinc/24/81/24/1033248124.db2.gz KOLRDQPMAWDGNZ-UHFFFAOYSA-N 0 3 331.423 3.511 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@]2(NCc3csc(C#N)c3)CCC[C@H]12 ZINC000895943274 1024999823 /nfs/dbraw/zinc/99/98/23/1024999823.db2.gz KEBXUVPBFDSRIT-YJBOKZPZSA-N 0 3 347.484 3.641 20 30 EHEDHN C=CCC[C@H](NC(=O)N(CCN(C)C)CC(C)C)c1ccccc1 ZINC000435762863 1025125437 /nfs/dbraw/zinc/12/54/37/1025125437.db2.gz UHXPTUDQGISMFV-IBGZPJMESA-N 0 3 331.504 3.923 20 30 EHEDHN C=CCCCN(C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000346955106 1025348249 /nfs/dbraw/zinc/34/82/49/1025348249.db2.gz BIKCOPPYYVJFQP-SFHVURJKSA-N 0 3 327.472 3.837 20 30 EHEDHN C=CCCCN(C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000346955103 1025349767 /nfs/dbraw/zinc/34/97/67/1025349767.db2.gz BIKCOPPYYVJFQP-GOSISDBHSA-N 0 3 327.472 3.837 20 30 EHEDHN Cc1ccc(OC[C@@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000425540576 1025687236 /nfs/dbraw/zinc/68/72/36/1025687236.db2.gz OKCIQKDRTQMQRP-XLIONFOSSA-N 0 3 338.451 3.608 20 30 EHEDHN Cc1cccc(C)c1OC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541559 1025693143 /nfs/dbraw/zinc/69/31/43/1025693143.db2.gz PPLYDCVGAOOZCW-FXAWDEMLSA-N 0 3 338.451 3.608 20 30 EHEDHN C=CCOc1ccccc1CNCc1ccccc1-c1ccnn1C ZINC000511097508 1025769230 /nfs/dbraw/zinc/76/92/30/1025769230.db2.gz WDLGUFMGIISTEW-UHFFFAOYSA-N 0 3 333.435 3.942 20 30 EHEDHN CCN(CC)[C@@H](CNc1cc(C#N)c2ccccc2n1)c1ccco1 ZINC000522934397 1025964219 /nfs/dbraw/zinc/96/42/19/1025964219.db2.gz LPUPCZVMZBAEAO-SFHVURJKSA-N 0 3 334.423 3.616 20 30 EHEDHN COCCOc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000346159991 1026176027 /nfs/dbraw/zinc/17/60/27/1026176027.db2.gz BQACSXRCDFHEGH-AWEZNQCLSA-N 0 3 328.387 3.573 20 30 EHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(OCC(F)F)c1)CC2 ZINC000582455767 1026311422 /nfs/dbraw/zinc/31/14/22/1026311422.db2.gz KVDNCBOCNNYZBT-SFHVURJKSA-N 0 3 328.362 3.979 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000192998432 1026660911 /nfs/dbraw/zinc/66/09/11/1026660911.db2.gz QSYBMZFMSRPABQ-GJZGRUSLSA-N 0 3 338.407 3.772 20 30 EHEDHN C=CCN1CCC(Nc2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000301160757 1026705815 /nfs/dbraw/zinc/70/58/15/1026705815.db2.gz FTRJFTTZIOEOEY-UHFFFAOYSA-N 0 3 345.450 3.754 20 30 EHEDHN Cc1cccc(CC2(O)CCN(Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000475483878 1027369470 /nfs/dbraw/zinc/36/94/70/1027369470.db2.gz BNXZIIFYWSUFCG-UHFFFAOYSA-N 0 3 334.463 3.745 20 30 EHEDHN CN(C)[C@@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000454236964 1027635202 /nfs/dbraw/zinc/63/52/02/1027635202.db2.gz FYOVMPDSFBZPNL-FQEVSTJZSA-N 0 3 349.478 3.546 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000533513642 1027998739 /nfs/dbraw/zinc/99/87/39/1027998739.db2.gz MGWQPFXMFXLSAW-BEFAXECRSA-N 0 3 330.447 3.846 20 30 EHEDHN COc1ccc(CN(C)CCOc2ccccc2Cl)cc1C#N ZINC000533538595 1028048941 /nfs/dbraw/zinc/04/89/41/1028048941.db2.gz OQGAVYVRENFFKW-UHFFFAOYSA-N 0 3 330.815 3.731 20 30 EHEDHN COc1ccc(CN2CCC(COc3ccccc3)CC2)cc1C#N ZINC000533538654 1028049741 /nfs/dbraw/zinc/04/97/41/1028049741.db2.gz TUEFKUPETMTRRU-UHFFFAOYSA-N 0 3 336.435 3.858 20 30 EHEDHN COc1cccc(C2CCN(Cc3cc(C#N)ccc3OC)CC2)c1 ZINC000444731557 1028198356 /nfs/dbraw/zinc/19/83/56/1028198356.db2.gz JCNRAOKSRQDIAH-UHFFFAOYSA-N 0 3 336.435 3.955 20 30 EHEDHN COc1cccc(OCCN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502509989 1028275498 /nfs/dbraw/zinc/27/54/98/1028275498.db2.gz YFUILLQJDKSDMD-UHFFFAOYSA-N 0 3 334.419 3.735 20 30 EHEDHN N#Cc1ccc(F)c(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000502535875 1028316749 /nfs/dbraw/zinc/31/67/49/1028316749.db2.gz NXZPZVQFYNHZOP-IBGZPJMESA-N 0 3 344.817 3.842 20 30 EHEDHN CCN(CCC#N)C(=O)CN1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000523448452 1028344463 /nfs/dbraw/zinc/34/44/63/1028344463.db2.gz YLGNPICEOOJEDD-FXAWDEMLSA-N 0 3 327.472 3.530 20 30 EHEDHN COc1cc(CNCc2ccccc2-n2nc(C)cc2C)ccc1C#N ZINC000440609086 1028415755 /nfs/dbraw/zinc/41/57/55/1028415755.db2.gz GHRSOUDTKYJNQT-UHFFFAOYSA-N 0 3 346.434 3.659 20 30 EHEDHN Cc1cccc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000502618033 1028439161 /nfs/dbraw/zinc/43/91/61/1028439161.db2.gz QVJHQDGJCZMTNZ-JXFKEZNVSA-N 0 3 333.435 3.713 20 30 EHEDHN C=CCN(CCC(=O)Nc1cccc(OC)c1)Cc1cccc(C#N)c1 ZINC000072583390 1028505933 /nfs/dbraw/zinc/50/59/33/1028505933.db2.gz OMDGJETZUYNTQZ-UHFFFAOYSA-N 0 3 349.434 3.584 20 30 EHEDHN CC(C)CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424099802 1028784481 /nfs/dbraw/zinc/78/44/81/1028784481.db2.gz WAXGEDFRGVRGDP-IRXDYDNUSA-N 0 3 335.879 3.955 20 30 EHEDHN CCC[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424114879 1028811827 /nfs/dbraw/zinc/81/18/27/1028811827.db2.gz SPQAJXVAHFCZSB-GJZGRUSLSA-N 0 3 341.377 3.684 20 30 EHEDHN C[C@@H](Oc1ccccc1NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424125951 1028823172 /nfs/dbraw/zinc/82/31/72/1028823172.db2.gz OJJVDGZUGCWESN-WBVHZDCISA-N 0 3 337.423 3.786 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc(COc2ccc(C)cc2)n1 ZINC000424177209 1028852669 /nfs/dbraw/zinc/85/26/69/1028852669.db2.gz SRSOKFUOQYDWFZ-YJBOKZPZSA-N 0 3 344.480 3.711 20 30 EHEDHN CCOc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1OC ZINC000440812013 1028944689 /nfs/dbraw/zinc/94/46/89/1028944689.db2.gz ZXQZTCWGCJYADH-AWEZNQCLSA-N 0 3 340.423 3.825 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)c(F)c1 ZINC000532987712 1029144092 /nfs/dbraw/zinc/14/40/92/1029144092.db2.gz NIBULDUUQZTYAF-MRXNPFEDSA-N 0 3 329.806 3.719 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000434174115 1029394599 /nfs/dbraw/zinc/39/45/99/1029394599.db2.gz ONNWADBBEVHGSR-IBGZPJMESA-N 0 3 347.478 3.815 20 30 EHEDHN C=CCN(C)CCN(CC)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000429710510 1029903324 /nfs/dbraw/zinc/90/33/24/1029903324.db2.gz WXRRJGGBKSNQIB-UHFFFAOYSA-N 0 3 341.377 3.786 20 30 EHEDHN C=CCC[C@@H](NC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000458577427 1030056297 /nfs/dbraw/zinc/05/62/97/1030056297.db2.gz ORVRUICHIHGFRK-YLJYHZDGSA-N 0 3 341.499 3.820 20 30 EHEDHN CC1(C)CCC[C@@H]1N(CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000525893531 1030219267 /nfs/dbraw/zinc/21/92/67/1030219267.db2.gz WZFMSLRKWPKRDJ-SFHVURJKSA-N 0 3 339.483 3.630 20 30 EHEDHN C=C1CCC(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)CC1 ZINC000897372417 1030582681 /nfs/dbraw/zinc/58/26/81/1030582681.db2.gz UQDVNYWPIRIBNA-UHFFFAOYSA-N 0 3 342.483 3.501 20 30 EHEDHN CN(Cc1cccc(OCCCC#N)c1)[C@@H](CCO)c1ccccc1 ZINC000093442486 1030612910 /nfs/dbraw/zinc/61/29/10/1030612910.db2.gz VNPFOGWQRUKWBC-NRFANRHFSA-N 0 3 338.451 3.925 20 30 EHEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022833531 1030622148 /nfs/dbraw/zinc/62/21/48/1030622148.db2.gz KMLJRXYCJOPUFQ-UHFFFAOYSA-N 0 3 339.870 3.920 20 30 EHEDHN N#CC1(NC(=O)CN2CCC[C@@H]2c2cccc3ccccc32)CCC1 ZINC000527128035 1030652860 /nfs/dbraw/zinc/65/28/60/1030652860.db2.gz ZZANCGVRVCBVKR-LJQANCHMSA-N 0 3 333.435 3.539 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ncc(-c3ccccc3)s2)CC1 ZINC000171680221 1030807023 /nfs/dbraw/zinc/80/70/23/1030807023.db2.gz ALLRAMKCMQTVKZ-UHFFFAOYSA-N 0 3 342.468 3.582 20 30 EHEDHN CC(C)CC[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000527377734 1030888770 /nfs/dbraw/zinc/88/87/70/1030888770.db2.gz PACKAYOEUQDKAT-QGZVFWFLSA-N 0 3 347.890 3.969 20 30 EHEDHN Cc1c(Br)cc(CNCCCC#N)cc1Br ZINC000336660826 1030895503 /nfs/dbraw/zinc/89/55/03/1030895503.db2.gz CSWMWCOQYPMLLQ-UHFFFAOYSA-N 0 3 346.066 3.913 20 30 EHEDHN CC[C@H](NCc1cccc(S(=O)(=O)CC)c1)c1ccc(C#N)cc1 ZINC000343467580 1031015856 /nfs/dbraw/zinc/01/58/56/1031015856.db2.gz SVEQZQUTMFTTQC-IBGZPJMESA-N 0 3 342.464 3.593 20 30 EHEDHN CC(C)(C)Cc1nc2cc(NC(=O)[C@@H](N)CCCCC#N)ccc2o1 ZINC000594433141 1033372557 /nfs/dbraw/zinc/37/25/57/1033372557.db2.gz CHIDOKBUOQQYFL-AWEZNQCLSA-N 0 3 342.443 3.766 20 30 EHEDHN CC(C)(C)[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1F ZINC000594446330 1033377269 /nfs/dbraw/zinc/37/72/69/1033377269.db2.gz QSZXEZAKZPOQRL-JKSUJKDBSA-N 0 3 337.414 3.579 20 30 EHEDHN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@H](N)CCCCC#N ZINC000594424598 1033387768 /nfs/dbraw/zinc/38/77/68/1033387768.db2.gz BNWXNYGFXXULFN-LJQANCHMSA-N 0 3 343.515 3.671 20 30 EHEDHN COCCOc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594494490 1033397841 /nfs/dbraw/zinc/39/78/41/1033397841.db2.gz BXJWCDFLFQBZDG-UHFFFAOYSA-N 0 3 338.451 3.803 20 30 EHEDHN C[S@@](=O)c1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594499011 1033399318 /nfs/dbraw/zinc/39/93/18/1033399318.db2.gz ZFDHLEZJUMHGDB-HSZRJFAPSA-N 0 3 326.465 3.515 20 30 EHEDHN Cn1nc(C(F)(F)F)cc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000594942977 1033588393 /nfs/dbraw/zinc/58/83/93/1033588393.db2.gz FOAKEWVHGPYXJV-HNNXBMFYSA-N 0 3 336.361 3.964 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000594951180 1033593111 /nfs/dbraw/zinc/59/31/11/1033593111.db2.gz SOBIDCBDYYAERP-IFMALSPDSA-N 0 3 348.446 3.893 20 30 EHEDHN N#Cc1csc(CNCc2cccc(COC[C@H]3CCCO3)c2)c1 ZINC000594998069 1033625509 /nfs/dbraw/zinc/62/55/09/1033625509.db2.gz GDVOROXJUICIJB-GOSISDBHSA-N 0 3 342.464 3.605 20 30 EHEDHN N#CC1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000595091410 1033699027 /nfs/dbraw/zinc/69/90/27/1033699027.db2.gz QIFAOLICJZDLRY-KRWDZBQOSA-N 0 3 327.428 3.980 20 30 EHEDHN COc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c(C)c1 ZINC000537568714 1033707818 /nfs/dbraw/zinc/70/78/18/1033707818.db2.gz SDKMMYYOJNQCOQ-UHFFFAOYSA-N 0 3 346.434 3.566 20 30 EHEDHN N#CC(C(=O)C[C@H]1CCc2sccc2C1=O)c1nc2ccccc2[nH]1 ZINC000892420910 1033822626 /nfs/dbraw/zinc/82/26/26/1033822626.db2.gz ZXWWPBXSZMHVLJ-YPMHNXCESA-N 0 3 349.415 3.636 20 30 EHEDHN CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(C)c(C#N)c3)ccc2NC1=O ZINC000599356939 1033888373 /nfs/dbraw/zinc/88/83/73/1033888373.db2.gz PADHURGJRHBTHB-LIRRHRJNSA-N 0 3 349.434 3.827 20 30 EHEDHN N#CC1(CCN(Cc2ccccc2)[C@]2(CO)CCOC2)CCCCC1 ZINC000599395294 1033915717 /nfs/dbraw/zinc/91/57/17/1033915717.db2.gz BLGJGQAOWQZELB-NRFANRHFSA-N 0 3 342.483 3.504 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594307783 1033916161 /nfs/dbraw/zinc/91/61/61/1033916161.db2.gz OARUWRYESQPDLV-INIZCTEOSA-N 0 3 335.451 3.746 20 30 EHEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c(Cl)c1 ZINC000593101991 1033942203 /nfs/dbraw/zinc/94/22/03/1033942203.db2.gz MUWGWACQLPVGAA-WDEREUQCSA-N 0 3 346.736 3.898 20 30 EHEDHN C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCC(F)CC1 ZINC000595819376 1033993568 /nfs/dbraw/zinc/99/35/68/1033993568.db2.gz OSGIELPKHBHUKV-XEBKBJJBSA-N 0 3 328.391 3.615 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599591217 1034027990 /nfs/dbraw/zinc/02/79/90/1034027990.db2.gz TXMMBPLMRRCZHB-CRAIPNDOSA-N 0 3 328.456 3.666 20 30 EHEDHN C[C@]1(c2ccccc2)CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000537624210 1034261155 /nfs/dbraw/zinc/26/11/55/1034261155.db2.gz UELMWXIJOCZXMQ-NRFANRHFSA-N 0 3 330.435 3.760 20 30 EHEDHN CC1CCN([C@@H](CNC(=O)c2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000604200862 1034261542 /nfs/dbraw/zinc/26/15/42/1034261542.db2.gz YJLXRXSRZRJCJR-NRFANRHFSA-N 0 3 347.462 3.761 20 30 EHEDHN C=C(C)CN(CC)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604204366 1034267337 /nfs/dbraw/zinc/26/73/37/1034267337.db2.gz FRGXVIOIBAQVMY-LJQANCHMSA-N 0 3 329.488 3.821 20 30 EHEDHN C=CCC1(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)CCC1 ZINC000456319983 1034325154 /nfs/dbraw/zinc/32/51/54/1034325154.db2.gz BZTGZRHETPBVLU-SFHVURJKSA-N 0 3 326.484 3.713 20 30 EHEDHN CN1CCN(Cc2ccccc2-c2ccc3[nH]cc(CC#N)c3c2)CC1 ZINC000596639341 1034343417 /nfs/dbraw/zinc/34/34/17/1034343417.db2.gz OFYZAMAOGVGKTM-UHFFFAOYSA-N 0 3 344.462 3.648 20 30 EHEDHN N#CC1(CC(=O)NC[C@H](c2cccs2)N2CCCC2)CCCCC1 ZINC000596675543 1034350358 /nfs/dbraw/zinc/35/03/58/1034350358.db2.gz WAQCYOPGUFYMQG-MRXNPFEDSA-N 0 3 345.512 3.865 20 30 EHEDHN N#Cc1ccc(CN(Cc2ccc(O[C@H]3CCOC3)cc2)C2CC2)cc1 ZINC000596979730 1034479352 /nfs/dbraw/zinc/47/93/52/1034479352.db2.gz MPXPNHKETDDRPA-QFIPXVFZSA-N 0 3 348.446 3.891 20 30 EHEDHN Cc1ccnc(OC2CCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000597083732 1034534928 /nfs/dbraw/zinc/53/49/28/1034534928.db2.gz VULODOYOYCLARK-UHFFFAOYSA-N 0 3 347.462 3.989 20 30 EHEDHN COC(=O)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000597153634 1034567624 /nfs/dbraw/zinc/56/76/24/1034567624.db2.gz KUSCMFIMUROROG-LJQANCHMSA-N 0 3 338.382 3.651 20 30 EHEDHN C=CCN1CCC(NC(=O)/C=C/c2ccccc2O[C@@H](C)CC)CC1 ZINC000171716226 1034583111 /nfs/dbraw/zinc/58/31/11/1034583111.db2.gz AJLFKPNQYGRHDC-DVQDXYAYSA-N 0 3 342.483 3.644 20 30 EHEDHN C=CCCOCCNCc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000534509968 1034631504 /nfs/dbraw/zinc/63/15/04/1034631504.db2.gz CEVZVRNRDFVOOF-UHFFFAOYSA-N 0 3 327.472 3.852 20 30 EHEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000892497941 1034967241 /nfs/dbraw/zinc/96/72/41/1034967241.db2.gz AONJXVWTSAZPJT-GFCCVEGCSA-N 0 3 334.803 3.598 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2cccc(F)c2)c([O-])c1 ZINC000065999073 1035090298 /nfs/dbraw/zinc/09/02/98/1035090298.db2.gz AENMTGDCNDHLLG-CIPMJJFUSA-N 0 3 330.403 3.530 20 30 EHEDHN Cn1cc(CN(Cc2ccc(C#N)cc2)C2CC2)c(-c2cccnc2)n1 ZINC000180029017 1035222982 /nfs/dbraw/zinc/22/29/82/1035222982.db2.gz NPRDSYYKVSFYRC-UHFFFAOYSA-N 0 3 343.434 3.518 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccc(F)cc1F ZINC000152012264 1035517777 /nfs/dbraw/zinc/51/77/77/1035517777.db2.gz ILRKKEMJINFCLB-AWEZNQCLSA-N 0 3 339.345 3.661 20 30 EHEDHN C#CCN(C(=O)N[C@@H](CC(C)C)c1ccccc1)C1CCN(C)CC1 ZINC000913910228 1035775203 /nfs/dbraw/zinc/77/52/03/1035775203.db2.gz VLZPZKVZIXZUCC-FQEVSTJZSA-N 0 3 341.499 3.513 20 30 EHEDHN Cc1cc([C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2CC2)ccc1F ZINC000539424561 1036747017 /nfs/dbraw/zinc/74/70/17/1036747017.db2.gz OMZVGRPFJPFPFE-DJKXOVBDSA-N 0 3 345.462 3.618 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659042073 1036972825 /nfs/dbraw/zinc/97/28/25/1036972825.db2.gz SDOXEQNSHUHKMT-LZQZEXGQSA-N 0 3 343.471 3.604 20 30 EHEDHN CC(C)c1ccc(CN2CCN(CCCSCC#N)CC2)cc1 ZINC000074980479 1037158399 /nfs/dbraw/zinc/15/83/99/1037158399.db2.gz LPEJCWKYKJMOLL-UHFFFAOYSA-N 0 3 331.529 3.574 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)CSc2ccccc2)CC1 ZINC000179033291 1037161077 /nfs/dbraw/zinc/16/10/77/1037161077.db2.gz ZUSMEMRUIPQLOQ-INIZCTEOSA-N 0 3 347.528 3.507 20 30 EHEDHN C=CCOc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1OC ZINC000031232148 1037195371 /nfs/dbraw/zinc/19/53/71/1037195371.db2.gz IEGCRBLGUUSXRR-UHFFFAOYSA-N 0 3 340.423 3.574 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2oc3c(cccc3F)c2C)CC1 ZINC000592076585 1037830671 /nfs/dbraw/zinc/83/06/71/1037830671.db2.gz KLQAYSCMFRESOG-UHFFFAOYSA-N 0 3 330.403 3.651 20 30 EHEDHN Cc1ccc(C2(NCC(=O)N(CCC#N)c3ccccc3)CCC2)cc1 ZINC000592189791 1037853960 /nfs/dbraw/zinc/85/39/60/1037853960.db2.gz WEYXLHDVDYTBBD-UHFFFAOYSA-N 0 3 347.462 3.911 20 30 EHEDHN Cc1cc(C)cc([C@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000540404388 1037897506 /nfs/dbraw/zinc/89/75/06/1037897506.db2.gz MVRRDQLABLCESI-KRWDZBQOSA-N 0 3 327.472 3.639 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000494219053 1037905074 /nfs/dbraw/zinc/90/50/74/1037905074.db2.gz HABGIDQEOOPREM-HZPDHXFCSA-N 0 3 333.501 3.635 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CC)c(CC)c2)CC1 ZINC000540416460 1037916110 /nfs/dbraw/zinc/91/61/10/1037916110.db2.gz NSPYYQRYPMVGSP-UHFFFAOYSA-N 0 3 329.488 3.973 20 30 EHEDHN C[C@@H]1CC2(CN1Cc1ccc(C#N)cc1C(F)(F)F)CCOCC2 ZINC000592527140 1038026165 /nfs/dbraw/zinc/02/61/65/1038026165.db2.gz LFKREELOSZZPAQ-CYBMUJFWSA-N 0 3 338.373 3.968 20 30 EHEDHN N#CC(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nc2ccccc2[nH]1 ZINC000041494344 1038103178 /nfs/dbraw/zinc/10/31/78/1038103178.db2.gz UDQLGTHYPIMKQF-ZDUSSCGKSA-N 0 3 345.337 3.582 20 30 EHEDHN N#CC(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nc2ccccc2[nH]1 ZINC000041494345 1038103722 /nfs/dbraw/zinc/10/37/22/1038103722.db2.gz UDQLGTHYPIMKQF-CYBMUJFWSA-N 0 3 345.337 3.582 20 30 EHEDHN CC(C)(C)C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000539253214 1038745071 /nfs/dbraw/zinc/74/50/71/1038745071.db2.gz UTQMSTZRHNJKLE-HXUWFJFHSA-N 0 3 349.478 3.942 20 30 EHEDHN N#CC(C(=O)c1ccc(-n2cccn2)cc1)c1nc2ccccc2s1 ZINC000041503093 1038814942 /nfs/dbraw/zinc/81/49/42/1038814942.db2.gz UVUHILDZQRCCMK-OAHLLOKOSA-N 0 3 344.399 3.972 20 30 EHEDHN C[C@H](NC[C@@](C)(CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000477859248 1038967031 /nfs/dbraw/zinc/96/70/31/1038967031.db2.gz IPGMYUJFLWAODZ-YWZLYKJASA-N 0 3 326.415 3.589 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000552205013 1039059015 /nfs/dbraw/zinc/05/90/15/1039059015.db2.gz MGCJLFGCGXPMHM-QKYXUNIQSA-N 0 3 327.472 3.560 20 30 EHEDHN Cc1cc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)ccc1C#N ZINC000488460093 1039191196 /nfs/dbraw/zinc/19/11/96/1039191196.db2.gz MHNICQCNSBYXMY-IBGZPJMESA-N 0 3 347.462 3.509 20 30 EHEDHN COc1cccc(NC2CCN(Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000488447317 1039194793 /nfs/dbraw/zinc/19/47/93/1039194793.db2.gz IRWYJQILCWKVPE-UHFFFAOYSA-N 0 3 335.451 3.952 20 30 EHEDHN C=CC[C@@H](C(=O)NCCCN1CCc2ccccc2C1)c1ccccc1 ZINC000488605558 1039292202 /nfs/dbraw/zinc/29/22/02/1039292202.db2.gz CSRVEFTUMHVMRL-JOCHJYFZSA-N 0 3 348.490 3.911 20 30 EHEDHN C=CCCC[C@H](N)C(=O)Nc1nc(-c2cc(C)ccc2OC)cs1 ZINC000912121502 1039701528 /nfs/dbraw/zinc/70/15/28/1039701528.db2.gz FOJUOLXGUPHQOG-AWEZNQCLSA-N 0 3 345.468 3.749 20 30 EHEDHN CN(CC1CCN(Cc2cccc(C#N)c2)CC1)C(=O)OC(C)(C)C ZINC000728932038 1039782887 /nfs/dbraw/zinc/78/28/87/1039782887.db2.gz PPYLDWHPDRHKOF-UHFFFAOYSA-N 0 3 343.471 3.637 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000912358688 1039834606 /nfs/dbraw/zinc/83/46/06/1039834606.db2.gz DNHVSHZMJSGSMM-QGZVFWFLSA-N 0 3 347.503 3.713 20 30 EHEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC)c1ccccc1OC(F)F ZINC000912390273 1039864126 /nfs/dbraw/zinc/86/41/26/1039864126.db2.gz IUAVPOKUSPNHMS-UONOGXRCSA-N 0 3 326.387 3.539 20 30 EHEDHN CCN(C[C@@H](C)C#N)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000893996148 1039931819 /nfs/dbraw/zinc/93/18/19/1039931819.db2.gz ZKXLPYYMTYJGKJ-XYTVBORESA-N 0 3 335.492 3.646 20 30 EHEDHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000489424252 1039958877 /nfs/dbraw/zinc/95/88/77/1039958877.db2.gz QFJVDFSEEAKPES-ZDUSSCGKSA-N 0 3 345.512 3.948 20 30 EHEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc(/C=C/C)cc1OC ZINC000489440903 1039961575 /nfs/dbraw/zinc/96/15/75/1039961575.db2.gz QLGIJCMYRCHURJ-PGHYUYILSA-N 0 3 331.456 3.509 20 30 EHEDHN CCCNC(=O)C1(NCc2ccc(C(C)(C)C#N)cc2)CCCCC1 ZINC000614175892 1040376336 /nfs/dbraw/zinc/37/63/36/1040376336.db2.gz LIYXJIVLVHYQIA-UHFFFAOYSA-N 0 3 341.499 3.806 20 30 EHEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)N1CCc2ccccc2C1 ZINC000512640957 1040378687 /nfs/dbraw/zinc/37/86/87/1040378687.db2.gz BUCAEBMKSMQJBN-HZPDHXFCSA-N 0 3 337.442 3.795 20 30 EHEDHN N#CCCC[C@H](NCC(=O)NC1CCCCCC1)c1ccccc1 ZINC000433014814 1040454107 /nfs/dbraw/zinc/45/41/07/1040454107.db2.gz HBQMLKNXJLUELC-IBGZPJMESA-N 0 3 327.472 3.850 20 30 EHEDHN C[C@H](NC[C@H](c1cccc(F)c1)N(C)C)c1ccc(C#N)cc1F ZINC000512667494 1040462399 /nfs/dbraw/zinc/46/23/99/1040462399.db2.gz PWIQBYSOKBOIGN-ORAYPTAESA-N 0 3 329.394 3.790 20 30 EHEDHN C[C@@H]1Cc2ccccc2N1C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433030327 1040501392 /nfs/dbraw/zinc/50/13/92/1040501392.db2.gz JOKXEXFELSWELF-XLIONFOSSA-N 0 3 347.462 3.989 20 30 EHEDHN CC(C)N(C)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418152058 1040658755 /nfs/dbraw/zinc/65/87/55/1040658755.db2.gz XQDVTXJQGAPFGC-FQEVSTJZSA-N 0 3 334.467 3.965 20 30 EHEDHN Cn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c(-c2cccnc2)n1 ZINC000418147702 1040662564 /nfs/dbraw/zinc/66/25/64/1040662564.db2.gz RSKNEQDBWPRMDV-FQEVSTJZSA-N 0 3 343.434 3.521 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cccc(COC(C)(C)C)c2C)CC1 ZINC000490780176 1040734800 /nfs/dbraw/zinc/73/48/00/1040734800.db2.gz FIBBQNFTXFBEDZ-UHFFFAOYSA-N 0 3 342.483 3.594 20 30 EHEDHN C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000487197936 1040786015 /nfs/dbraw/zinc/78/60/15/1040786015.db2.gz GLKROFYIIUZHEW-WMQCIHAUSA-N 0 3 349.478 3.567 20 30 EHEDHN CC(C)(C)Oc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000626283871 1040810706 /nfs/dbraw/zinc/81/07/06/1040810706.db2.gz UBHXNWQMBRNWRA-GFCCVEGCSA-N 0 3 334.379 3.625 20 30 EHEDHN CCC(CC)(CNCC#Cc1ccc(C(F)(F)F)cc1)C(=O)OC ZINC000487833194 1041118516 /nfs/dbraw/zinc/11/85/16/1041118516.db2.gz IICJDFKCJJZGBQ-UHFFFAOYSA-N 0 3 341.373 3.626 20 30 EHEDHN C=CC1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000511680967 1041455336 /nfs/dbraw/zinc/45/53/36/1041455336.db2.gz JUXOBWTVUBTAEC-GOSISDBHSA-N 0 3 348.437 3.568 20 30 EHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnnn1-c1c(C)cccc1C ZINC000661118362 1041952224 /nfs/dbraw/zinc/95/22/24/1041952224.db2.gz ZKMFKXWYRROZNE-IRXDYDNUSA-N 0 3 325.460 3.504 20 30 EHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnnn1-c1c(C)cccc1C ZINC000661118360 1041952356 /nfs/dbraw/zinc/95/23/56/1041952356.db2.gz ZKMFKXWYRROZNE-DLBZAZTESA-N 0 3 325.460 3.504 20 30 EHEDHN CC[C@@H](C)N[C@H](CNC(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000598734188 1042476384 /nfs/dbraw/zinc/47/63/84/1042476384.db2.gz GTPFWOLACJQVOU-HZPDHXFCSA-N 0 3 331.460 3.689 20 30 EHEDHN CC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1cc(C)ccc1C ZINC000599640596 1042560072 /nfs/dbraw/zinc/56/00/72/1042560072.db2.gz KOGYLVIEHRJMCX-IMFGXOCKSA-N 0 3 329.488 3.787 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](C3CC3)C2)c1 ZINC000344041398 1043143978 /nfs/dbraw/zinc/14/39/78/1043143978.db2.gz AGGMSAQLEZJMIF-IEBWSBKVSA-N 0 3 339.483 3.671 20 30 EHEDHN C=CCCCCCCN1CC2(C1)CN(C(=O)Nc1c(C)noc1C)C2 ZINC001279272132 1043592613 /nfs/dbraw/zinc/59/26/13/1043592613.db2.gz WCAJFAAJIRKMRY-UHFFFAOYSA-N 0 3 346.475 3.577 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(OC(C)(C)C)cn1 ZINC000344633423 1044223871 /nfs/dbraw/zinc/22/38/71/1044223871.db2.gz JXVLVFMRQDITSW-CQSZACIVSA-N 0 3 348.406 3.636 20 30 EHEDHN C=CCC(C)(C)CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000432557895 1044229006 /nfs/dbraw/zinc/22/90/06/1044229006.db2.gz NDKZYEVQTFAGPC-SFHVURJKSA-N 0 3 343.515 3.895 20 30 EHEDHN CCC(C)(C)N(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000512282961 1044541623 /nfs/dbraw/zinc/54/16/23/1044541623.db2.gz OFLAWFOSXJHGPR-AWEZNQCLSA-N 0 3 333.501 3.997 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1OC ZINC000183602956 1125614034 /nfs/dbraw/zinc/61/40/34/1125614034.db2.gz QDNZZJXVKSTNGB-HOCLYGCPSA-N 0 3 340.423 3.933 20 30 EHEDHN C=CCSc1nc2ccccc2n1CN1CC=C(COC)CC1 ZINC000185032630 1126737774 /nfs/dbraw/zinc/73/77/74/1126737774.db2.gz LEHAUFFNFPHRAU-UHFFFAOYSA-N 0 3 329.469 3.550 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(OC)c(F)c2)c1 ZINC000073012454 1126975333 /nfs/dbraw/zinc/97/53/33/1126975333.db2.gz XUYYLGZPMDLDNZ-MRXNPFEDSA-N 0 3 328.387 3.805 20 30 EHEDHN CN(C)[C@H](CNc1cc(C#N)nc2ccccc21)c1ccc(F)cc1 ZINC000301368719 1128587942 /nfs/dbraw/zinc/58/79/42/1128587942.db2.gz OQGHCZRLKVFYKY-HXUWFJFHSA-N 0 3 334.398 3.960 20 30 EHEDHN N#Cc1ccc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000301495981 1128593609 /nfs/dbraw/zinc/59/36/09/1128593609.db2.gz BTIVKXAIHSLQKH-QGZVFWFLSA-N 0 3 346.356 3.658 20 30 EHEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000302117616 1128620132 /nfs/dbraw/zinc/62/01/32/1128620132.db2.gz SEHHLPYQSMDSSU-KRWDZBQOSA-N 0 3 347.462 3.862 20 30 EHEDHN CN(C)[C@@H](CNc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 ZINC000302217704 1128627036 /nfs/dbraw/zinc/62/70/36/1128627036.db2.gz KBIZKUYJDVKOGG-HNNXBMFYSA-N 0 3 334.345 3.687 20 30 EHEDHN CN(C)[C@H](CNc1ncccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000302225666 1128627229 /nfs/dbraw/zinc/62/72/29/1128627229.db2.gz RVOANYJBGXWLJL-OAHLLOKOSA-N 0 3 334.345 3.687 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1ccccc1Cl ZINC000220359164 1120476461 /nfs/dbraw/zinc/47/64/61/1120476461.db2.gz FWOKIFNQKYLWGT-KRWDZBQOSA-N 0 3 331.843 3.768 20 30 EHEDHN CC1(C)CN(Cc2ccc(F)cc2C#N)CCN1Cc1ccccc1 ZINC000609196312 1120544297 /nfs/dbraw/zinc/54/42/97/1120544297.db2.gz LRTWKJMBWLQNDA-UHFFFAOYSA-N 0 3 337.442 3.794 20 30 EHEDHN C=CCOc1ccccc1CN[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000194889437 1120868811 /nfs/dbraw/zinc/86/88/11/1120868811.db2.gz PFCSOKKBFZLBSD-INIZCTEOSA-N 0 3 334.423 3.683 20 30 EHEDHN C=CCCCN(C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000076801777 1128951899 /nfs/dbraw/zinc/95/18/99/1128951899.db2.gz HKHGJNRQKVBDOS-IBGZPJMESA-N 0 3 346.471 3.991 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000171722712 1121513481 /nfs/dbraw/zinc/51/34/81/1121513481.db2.gz LACQZMKGZCTFFR-UHFFFAOYSA-N 0 3 345.446 3.605 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc(OCCCC)c2)CC1 ZINC000171739201 1121672344 /nfs/dbraw/zinc/67/23/44/1121672344.db2.gz SNYOEKQLDYYLEO-UHFFFAOYSA-N 0 3 331.460 3.637 20 30 EHEDHN C=C(C)CN(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000672556716 1129012494 /nfs/dbraw/zinc/01/24/94/1129012494.db2.gz VYUUCRWQYBWGSW-QGZVFWFLSA-N 0 3 337.895 3.940 20 30 EHEDHN CCC(C=NNC(=S)NC1CCN(Cc2ccccc2)CC1)CC ZINC000916307254 1122124640 /nfs/dbraw/zinc/12/46/40/1122124640.db2.gz ZRAFQTQTCCEAHT-UHFFFAOYSA-N 0 3 346.544 3.537 20 30 EHEDHN C=C(CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000672662887 1129038982 /nfs/dbraw/zinc/03/89/82/1129038982.db2.gz XCRUVSWLHZUEIZ-OAQYLSRUSA-N 0 3 349.478 3.836 20 30 EHEDHN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1ccc(C#N)cc1 ZINC000497062610 1122258915 /nfs/dbraw/zinc/25/89/15/1122258915.db2.gz KORDUNDTEFANGK-OAHLLOKOSA-N 0 3 335.407 3.708 20 30 EHEDHN N#CC(C(=O)C[C@H]1C=CCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130463440 1122334829 /nfs/dbraw/zinc/33/48/29/1122334829.db2.gz XIIUBZTYSHVCSH-IINYFYTJSA-N 0 3 337.206 3.997 20 30 EHEDHN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1cccc(C#N)c1 ZINC000497289252 1122436950 /nfs/dbraw/zinc/43/69/50/1122436950.db2.gz LFPSUIFSKLBKGX-HNNXBMFYSA-N 0 3 335.407 3.708 20 30 EHEDHN C[C@@H](C1CC1)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000126943064 1122453363 /nfs/dbraw/zinc/45/33/63/1122453363.db2.gz VOAQIYQVOUWVDZ-AWEZNQCLSA-N 0 3 345.874 3.850 20 30 EHEDHN C[C@H](N(C)CC(=O)C(C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000917098986 1122492965 /nfs/dbraw/zinc/49/29/65/1122492965.db2.gz YFLPLUSMDCIGRQ-QWHCGFSZSA-N 0 3 329.469 3.839 20 30 EHEDHN CC(C)CN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)C ZINC000917100500 1122499116 /nfs/dbraw/zinc/49/91/16/1122499116.db2.gz NYQWUFVRDXVVAV-AWEZNQCLSA-N 0 3 329.469 3.839 20 30 EHEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000917100603 1122499838 /nfs/dbraw/zinc/49/98/38/1122499838.db2.gz SHHPFVQKIKCGBH-RBSFLKMASA-N 0 3 341.480 3.983 20 30 EHEDHN C#CCN(C[C@@H](O)c1ccc(F)c(F)c1)[C@H]1CCc2ccccc21 ZINC000917119314 1122513177 /nfs/dbraw/zinc/51/31/77/1122513177.db2.gz ZGQYANHTAFPJSG-VQTJNVASSA-N 0 3 327.374 3.621 20 30 EHEDHN C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000556629010 1123065568 /nfs/dbraw/zinc/06/55/68/1123065568.db2.gz NLQZDJINRMSGKQ-APWZRJJASA-N 0 3 330.435 3.974 20 30 EHEDHN C=CCN(CCc1nc(-c2ccccc2)no1)Cc1ccc(OC)cc1 ZINC000074351060 1123295672 /nfs/dbraw/zinc/29/56/72/1123295672.db2.gz QUIATTAHLLVXQO-UHFFFAOYSA-N 0 3 349.434 3.976 20 30 EHEDHN CC(C)[C@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000920419337 1123366919 /nfs/dbraw/zinc/36/69/19/1123366919.db2.gz ZCOLNTDDKQGAEO-DZGCQCFKSA-N 0 3 327.453 3.593 20 30 EHEDHN C[C@@H](NCc1cnc2c(C#N)cnn2c1)c1cc2ccccc2s1 ZINC000609335384 1123551417 /nfs/dbraw/zinc/55/14/17/1123551417.db2.gz XDLPAXMRJJGADM-GFCCVEGCSA-N 0 3 333.420 3.666 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1)c1ccc(Cl)s1 ZINC000175107043 1123601674 /nfs/dbraw/zinc/60/16/74/1123601674.db2.gz INSLOPGKFSNTCO-ZYHUDNBSSA-N 0 3 332.812 3.853 20 30 EHEDHN CCCN(CCOc1ccc(C#N)cc1OC)Cc1ccccc1F ZINC000610132583 1123739015 /nfs/dbraw/zinc/73/90/15/1123739015.db2.gz HAXBAWCSIPWOAZ-UHFFFAOYSA-N 0 3 342.414 3.997 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000179800423 1123860498 /nfs/dbraw/zinc/86/04/98/1123860498.db2.gz PFGAWMBJMJAQKH-SFHVURJKSA-N 0 3 343.377 3.906 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCc2ccccc21 ZINC000734704512 1131268517 /nfs/dbraw/zinc/26/85/17/1131268517.db2.gz RXDPQXQXZUPWIE-RDJZCZTQSA-N 0 3 329.403 3.870 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1C ZINC000734963796 1131296705 /nfs/dbraw/zinc/29/67/05/1131296705.db2.gz NESDQWPYLJMZCS-AEFFLSMTSA-N 0 3 328.456 3.894 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cnc(-c2ccncc2)s1 ZINC000618741695 1125178783 /nfs/dbraw/zinc/17/87/83/1125178783.db2.gz HVXZBVFYAFQHIH-GOSISDBHSA-N 0 3 332.432 3.854 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000618742613 1125179592 /nfs/dbraw/zinc/17/95/92/1125179592.db2.gz ZXIARKVJEXPKKY-UNMCSNQZSA-N 0 3 348.446 3.893 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3cnc4c(c3)CCCC4)CC2)cc1 ZINC000543114678 1129246493 /nfs/dbraw/zinc/24/64/93/1129246493.db2.gz NOTZMADHNHYUNS-UHFFFAOYSA-N 0 3 346.478 3.909 20 30 EHEDHN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc2c(c1)CCCC2 ZINC000499719164 1129409885 /nfs/dbraw/zinc/40/98/85/1129409885.db2.gz JMPJZNIUKDXMGQ-MRXNPFEDSA-N 0 3 339.483 3.559 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466397799 1129419849 /nfs/dbraw/zinc/41/98/49/1129419849.db2.gz GBTINHVMMZRZQM-MOPGFXCFSA-N 0 3 329.488 3.647 20 30 EHEDHN Cc1nc(COc2ccc(CN[C@@H](C)c3ccc(C#N)cc3)cc2)no1 ZINC000070693780 1129520179 /nfs/dbraw/zinc/52/01/79/1129520179.db2.gz WKTGPYGLXNBSQX-AWEZNQCLSA-N 0 3 348.406 3.680 20 30 EHEDHN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000154329660 1129550073 /nfs/dbraw/zinc/55/00/73/1129550073.db2.gz ZBPITJUBEPRLMY-HUUCEWRRSA-N 0 3 335.407 3.927 20 30 EHEDHN C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000154329350 1129550088 /nfs/dbraw/zinc/55/00/88/1129550088.db2.gz ZBPITJUBEPRLMY-GJZGRUSLSA-N 0 3 335.407 3.927 20 30 EHEDHN N#Cc1csc(CN(CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC000093741369 1129601448 /nfs/dbraw/zinc/60/14/48/1129601448.db2.gz OZIXYDRYIBPLBV-LJQANCHMSA-N 0 3 326.465 3.882 20 30 EHEDHN N#Cc1ccccc1OCCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000125690543 1129711146 /nfs/dbraw/zinc/71/11/46/1129711146.db2.gz SDTVWWAPIXRBDG-QGZVFWFLSA-N 0 3 347.418 3.958 20 30 EHEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000134089197 1129979208 /nfs/dbraw/zinc/97/92/08/1129979208.db2.gz HYLCENCBEOVWJX-YJBOKZPZSA-N 0 3 343.471 3.683 20 30 EHEDHN C[C@@H](NCc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000245885428 1130326751 /nfs/dbraw/zinc/32/67/51/1130326751.db2.gz LJPXXIFCOIVWDN-QZTJIDSGSA-N 0 3 349.478 3.630 20 30 EHEDHN CCCCCCN(C)CC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000731896669 1130858518 /nfs/dbraw/zinc/85/85/18/1130858518.db2.gz IKJYZNNQFPYEHP-KRWDZBQOSA-N 0 3 329.488 3.980 20 30 EHEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN(C)Cc1cccc(C)c1 ZINC000739840106 1131514092 /nfs/dbraw/zinc/51/40/92/1131514092.db2.gz GFWKIVXKTKUGIH-UHFFFAOYSA-N 0 3 331.423 3.523 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([O-])c1 ZINC000741463316 1131605222 /nfs/dbraw/zinc/60/52/22/1131605222.db2.gz CZQZUPBJNPADET-OBLCPMIXSA-N 0 3 330.472 3.861 20 30 EHEDHN CC(C)OC(=O)CC[C@@H](C)N1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001172773157 1131843095 /nfs/dbraw/zinc/84/30/95/1131843095.db2.gz LWTHSOBQAZVBQV-VQIMIIECSA-N 0 3 344.455 3.522 20 30 EHEDHN N#CC(C(=O)Cc1cc(F)ccc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000744026327 1132005119 /nfs/dbraw/zinc/00/51/19/1132005119.db2.gz VTCHSPPESNLOAD-AWEZNQCLSA-N 0 3 348.736 3.508 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1cccc(Cl)c1 ZINC000744027005 1132006468 /nfs/dbraw/zinc/00/64/68/1132006468.db2.gz FDJTXBBZPWTGAL-BLLLJJGKSA-N 0 3 332.831 3.601 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1cccc2ccccc21)c1ccco1 ZINC000744030071 1132006670 /nfs/dbraw/zinc/00/66/70/1132006670.db2.gz ZDNQRTXBYLIHFB-CJNGLKHVSA-N 0 3 332.359 3.884 20 30 EHEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000744032518 1132013617 /nfs/dbraw/zinc/01/36/17/1132013617.db2.gz GHBBCCJPEWFBBT-WOJBJXKFSA-N 0 3 348.446 3.636 20 30 EHEDHN N#Cc1ccc(-c2ccc(N3CCCc4ccc(CN)nc43)cc2)o1 ZINC001169592109 1132791681 /nfs/dbraw/zinc/79/16/81/1132791681.db2.gz GWUFVGPINJVVSQ-UHFFFAOYSA-N 0 3 330.391 3.756 20 30 EHEDHN CCCC1(CCC)CCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC001175898913 1132792957 /nfs/dbraw/zinc/79/29/57/1132792957.db2.gz YLIFQTBAHKIOFF-UHFFFAOYSA-N 0 3 348.512 3.767 20 30 EHEDHN C=CCN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783512 1132857343 /nfs/dbraw/zinc/85/73/43/1132857343.db2.gz GHZFDTRBBUBTCM-NRFANRHFSA-N 0 3 334.463 3.979 20 30 EHEDHN C#CCCCN1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000766903678 1132916727 /nfs/dbraw/zinc/91/67/27/1132916727.db2.gz VHINUOURRRIEKU-HNNXBMFYSA-N 0 3 335.289 3.541 20 30 EHEDHN C#CCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000766940839 1132919968 /nfs/dbraw/zinc/91/99/68/1132919968.db2.gz NNQXCVPNZSXXPH-UHFFFAOYSA-N 0 3 325.283 3.567 20 30 EHEDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)ccc1C#N ZINC000767695008 1133035750 /nfs/dbraw/zinc/03/57/50/1133035750.db2.gz YUDILXYAVAHEAT-INIZCTEOSA-N 0 3 333.435 3.844 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc([C@@H](C)O)cc2)cc1OC ZINC001177479800 1133074772 /nfs/dbraw/zinc/07/47/72/1133074772.db2.gz ZIUSZPQLUJQMPX-OAHLLOKOSA-N 0 3 327.424 3.603 20 30 EHEDHN C=CCN(Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768549946 1133154513 /nfs/dbraw/zinc/15/45/13/1133154513.db2.gz GZIGCSYURCDMOY-UHFFFAOYSA-N 0 3 340.442 3.851 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H](F)c1ccccc1 ZINC000769280687 1133254266 /nfs/dbraw/zinc/25/42/66/1133254266.db2.gz CNHFJIGSEYQLHO-IUODEOHRSA-N 0 3 348.736 3.837 20 30 EHEDHN C=CCOc1ccc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001204300196 1133500772 /nfs/dbraw/zinc/50/07/72/1133500772.db2.gz MWOGPCRCTNSDRN-KRWDZBQOSA-N 0 3 331.456 3.805 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](Cc1ccccc1)c1ccccc1 ZINC001181828677 1133537668 /nfs/dbraw/zinc/53/76/68/1133537668.db2.gz SHFIDNIZLHLVCC-FCHUYYIVSA-N 0 3 348.490 3.780 20 30 EHEDHN N#C[C@@H]1CCC[C@H](NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000774299218 1133654459 /nfs/dbraw/zinc/65/44/59/1133654459.db2.gz DTZUHTWYHHMFEG-BYCMXARLSA-N 0 3 346.780 3.762 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc4cccnc43)nc21 ZINC000772666952 1133710454 /nfs/dbraw/zinc/71/04/54/1133710454.db2.gz RIAMYINKOARSSM-INIZCTEOSA-N 0 3 340.386 3.839 20 30 EHEDHN C#CCOc1ccccc1-c1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 ZINC000785584879 1133722438 /nfs/dbraw/zinc/72/24/38/1133722438.db2.gz QZPKHUKVINEBDI-KFWWJZLASA-N 0 3 325.412 3.682 20 30 EHEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCCCN1Cc1ccccc1 ZINC001183378739 1133802272 /nfs/dbraw/zinc/80/22/72/1133802272.db2.gz BJUSORDPEXFAHG-IBGZPJMESA-N 0 3 337.442 3.842 20 30 EHEDHN C=CCCc1ccc(C(=O)NCCP(C(C)C)C(C)C)c(=O)[nH]1 ZINC001185371408 1134081960 /nfs/dbraw/zinc/08/19/60/1134081960.db2.gz FXDOLUKXUYGYQD-UHFFFAOYSA-N 0 3 336.416 3.934 20 30 EHEDHN CCCCCCCCCCCCS(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC001187724496 1134375776 /nfs/dbraw/zinc/37/57/76/1134375776.db2.gz WVLLNTKUDBRPEB-SFHVURJKSA-N 0 3 346.581 3.778 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccc(C)o2)cc1 ZINC000775227018 1134548900 /nfs/dbraw/zinc/54/89/00/1134548900.db2.gz MDDBTAOGCSFTCZ-SCLBCKFNSA-N 0 3 338.407 3.992 20 30 EHEDHN C#CCC1(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CCCCC1 ZINC000791717299 1134594492 /nfs/dbraw/zinc/59/44/92/1134594492.db2.gz YGTUVNWXWJVJGM-HKUYNNGSSA-N 0 3 326.484 3.768 20 30 EHEDHN N#CC(C(=O)CCc1cccc2c1OCO2)c1nccc2ccccc21 ZINC000792095954 1134654040 /nfs/dbraw/zinc/65/40/40/1134654040.db2.gz YPWRDIWWAHXAOF-QGZVFWFLSA-N 0 3 344.370 3.773 20 30 EHEDHN C=CCS(=O)(=O)CCN[C@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000793548757 1134954696 /nfs/dbraw/zinc/95/46/96/1134954696.db2.gz ADQDKPQSLFCBLN-SFHVURJKSA-N 0 3 337.529 3.872 20 30 EHEDHN CC[C@H]1CN(Cc2cccc(C#N)c2F)CCN1Cc1ccccc1 ZINC001193211073 1135114247 /nfs/dbraw/zinc/11/42/47/1135114247.db2.gz RZZFPEHQFRWNPE-FQEVSTJZSA-N 0 3 337.442 3.794 20 30 EHEDHN Cc1nn(-c2ccccn2)c(Cl)c1CNCC(C)(C)CCC#N ZINC000808429293 1135664821 /nfs/dbraw/zinc/66/48/21/1135664821.db2.gz IFIADTFWOQVYAE-UHFFFAOYSA-N 0 3 331.851 3.649 20 30 EHEDHN CC1(C)CN(C(=O)CC2(C#N)CC2)C(C)(C)CN1Cc1ccccc1 ZINC001131542167 1135769667 /nfs/dbraw/zinc/76/96/67/1135769667.db2.gz GQCMVABPILQOIK-UHFFFAOYSA-N 0 3 339.483 3.582 20 30 EHEDHN CCCC[N@H+](C)C[C@H](C)/N=C\c1cc(Br)ccc1[O-] ZINC000809144061 1135782850 /nfs/dbraw/zinc/78/28/50/1135782850.db2.gz BYKZTCHPQZUJLI-NJPLLEPOSA-N 0 3 327.266 3.694 20 30 EHEDHN CCCC[N@@H+](C)C[C@H](C)/N=C\c1cc(Br)ccc1[O-] ZINC000809144061 1135782852 /nfs/dbraw/zinc/78/28/52/1135782852.db2.gz BYKZTCHPQZUJLI-NJPLLEPOSA-N 0 3 327.266 3.694 20 30 EHEDHN C#Cc1ccc(CN(C)Cc2ccc(OC)c(OC(F)F)c2)cc1 ZINC000809545467 1135854743 /nfs/dbraw/zinc/85/47/43/1135854743.db2.gz DDSHTWRSTRZTCU-UHFFFAOYSA-N 0 3 331.362 3.910 20 30 EHEDHN C#C[C@H](NCc1ccc(OC(F)F)c(Br)c1)C(C)C ZINC000809685077 1135871907 /nfs/dbraw/zinc/87/19/07/1135871907.db2.gz YJKGQJVAOWIZEJ-LBPRGKRZSA-N 0 3 332.188 3.798 20 30 EHEDHN C#C[C@H](NCc1ccc(OCC(F)(F)F)c(OC)c1)C(C)(C)C ZINC000809780938 1135890376 /nfs/dbraw/zinc/89/03/76/1135890376.db2.gz AZMUFAKFFSTJAE-HNNXBMFYSA-N 0 3 329.362 3.774 20 30 EHEDHN COc1ccc2c(c1)C1(CC1)CN(CCCOc1ccc(C#N)cc1)C2 ZINC000810097258 1135921101 /nfs/dbraw/zinc/92/11/01/1135921101.db2.gz AIUKLWLOCFXPLP-UHFFFAOYSA-N 0 3 348.446 3.883 20 30 EHEDHN CC(C)c1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)nc1 ZINC000810529472 1135970548 /nfs/dbraw/zinc/97/05/48/1135970548.db2.gz HOWGQQFRLZMWQA-CYBMUJFWSA-N 0 3 341.798 3.820 20 30 EHEDHN C[C@@H]1C(N=Nc2nncc3ccccc32)CCN1Cc1ccccc1 ZINC000811631129 1136111659 /nfs/dbraw/zinc/11/16/59/1136111659.db2.gz LTAXQIAMPLCCCF-OAHLLOKOSA-N 0 3 331.423 3.692 20 30 EHEDHN C#C[C@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000812792958 1136251391 /nfs/dbraw/zinc/25/13/91/1136251391.db2.gz LRQBAVWGQUONME-SFHVURJKSA-N 0 3 346.446 3.737 20 30 EHEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812902944 1136267428 /nfs/dbraw/zinc/26/74/28/1136267428.db2.gz OLOGQHPICKFICM-INIZCTEOSA-N 0 3 348.450 3.637 20 30 EHEDHN Cc1cccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000813214281 1136303346 /nfs/dbraw/zinc/30/33/46/1136303346.db2.gz QLAPAUBEZZDHFT-AWEZNQCLSA-N 0 3 334.297 3.664 20 30 EHEDHN C=C(Cl)CN1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337664 1136450415 /nfs/dbraw/zinc/45/04/15/1136450415.db2.gz YEOLQZSLJQEVGE-BDAKNGLRSA-N 0 3 343.490 3.567 20 30 EHEDHN CCCCCCCCCN1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854126185 1136589754 /nfs/dbraw/zinc/58/97/54/1136589754.db2.gz JUNWCNNPBVWXCI-UHFFFAOYSA-N 0 3 341.503 3.986 20 30 EHEDHN CCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000748003561 1136604280 /nfs/dbraw/zinc/60/42/80/1136604280.db2.gz CNJGYTFLCMVNOK-LBPRGKRZSA-N 0 3 347.827 3.629 20 30 EHEDHN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1Cc1ccc(OCC#N)cc1 ZINC000817276538 1136793072 /nfs/dbraw/zinc/79/30/72/1136793072.db2.gz HZTAQGZFSIJBKX-DOTOQJQBSA-N 0 3 344.455 3.531 20 30 EHEDHN Cc1ccccc1COCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000857030783 1136834413 /nfs/dbraw/zinc/83/44/13/1136834413.db2.gz XKOUWULKGRHQCI-HNNXBMFYSA-N 0 3 348.324 3.802 20 30 EHEDHN N#Cc1ccc([C@H](O)CNC(c2ccccc2)c2ccccc2)cc1 ZINC000119658196 1137204331 /nfs/dbraw/zinc/20/43/31/1137204331.db2.gz DCJSZFQAUXGYLR-OAQYLSRUSA-N 0 3 328.415 3.971 20 30 EHEDHN CO[C@H](CN(C)C[C@@H](O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000844371054 1137213351 /nfs/dbraw/zinc/21/33/51/1137213351.db2.gz MACYRVVUJJMDKU-RTBURBONSA-N 0 3 344.842 3.565 20 30 EHEDHN CSCc1cccc(CNCc2cc(C#N)ccc2N(C)C)c1 ZINC000865539117 1137292818 /nfs/dbraw/zinc/29/28/18/1137292818.db2.gz RWRNSZBUBZAGCQ-UHFFFAOYSA-N 0 3 325.481 3.777 20 30 EHEDHN N=C(Nc1ccc(N2CCCC2)nc1)c1ccc2cc(O)ccc2c1 ZINC001171183735 1137293697 /nfs/dbraw/zinc/29/36/97/1137293697.db2.gz AAVZQIVRPUXRIJ-UHFFFAOYSA-N 0 3 332.407 3.578 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC001171203183 1137324212 /nfs/dbraw/zinc/32/42/12/1137324212.db2.gz KLGLATPQOFXCHE-INIZCTEOSA-N 0 3 339.870 3.965 20 30 EHEDHN COC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(Br)c1 ZINC000866597438 1137367897 /nfs/dbraw/zinc/36/78/97/1137367897.db2.gz SMWNDSQGJLRGAB-WQVCFCJDSA-N 0 3 337.261 3.809 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC2(C)CCC2)cc1 ZINC000772970107 1137387246 /nfs/dbraw/zinc/38/72/46/1137387246.db2.gz AJGRUQBXCFUCLP-RHSMWYFYSA-N 0 3 342.439 3.807 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](C)c1cc(C)oc1C ZINC000348105523 1137441161 /nfs/dbraw/zinc/44/11/61/1137441161.db2.gz FCPRGKOWGLGXQW-YJBOKZPZSA-N 0 3 329.440 3.715 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H](C)c1cc(C)oc1C ZINC000348105522 1137441345 /nfs/dbraw/zinc/44/13/45/1137441345.db2.gz FCPRGKOWGLGXQW-QAPCUYQASA-N 0 3 329.440 3.715 20 30 EHEDHN CCCN(CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171857286 1137516092 /nfs/dbraw/zinc/51/60/92/1137516092.db2.gz CQOHJMNUKGXMNT-MRXNPFEDSA-N 0 3 335.492 3.934 20 30 EHEDHN COC(=O)c1cccc(CN[C@@H]2CCCC23CCCCC3)c1C#N ZINC001171931812 1137521472 /nfs/dbraw/zinc/52/14/72/1137521472.db2.gz QQQNLGYGRWMOSV-GOSISDBHSA-N 0 3 326.440 3.937 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001172305410 1137545291 /nfs/dbraw/zinc/54/52/91/1137545291.db2.gz DJBCVQHYJCUBAI-KBXCAEBGSA-N 0 3 342.389 3.921 20 30 EHEDHN C#CCN(Cc1ccccc1-n1cccn1)[C@@H]1CCc2ccccc21 ZINC001137099587 1137642115 /nfs/dbraw/zinc/64/21/15/1137642115.db2.gz VDGBCYHGCJELHE-JOCHJYFZSA-N 0 3 327.431 3.995 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000876619064 1137657282 /nfs/dbraw/zinc/65/72/82/1137657282.db2.gz NNWAWNNDMUVLBW-FZMZJTMJSA-N 0 3 349.887 3.766 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000876694501 1137659282 /nfs/dbraw/zinc/65/92/82/1137659282.db2.gz JTWOHMIJMMDTOW-CYBMUJFWSA-N 0 3 335.662 3.512 20 30 EHEDHN N#Cc1cccc(CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000876804983 1137661898 /nfs/dbraw/zinc/66/18/98/1137661898.db2.gz WCMYMLCFZBGVOL-ZWKOTPCHSA-N 0 3 341.480 3.883 20 30 EHEDHN N#Cc1ccc(C2(C(=O)Nc3ccc4c(c3)CNC4)CCCC2)cc1 ZINC000876866875 1137664232 /nfs/dbraw/zinc/66/42/32/1137664232.db2.gz LXETVFXCFCQNBU-UHFFFAOYSA-N 0 3 331.419 3.612 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877020107 1137667784 /nfs/dbraw/zinc/66/77/84/1137667784.db2.gz KXNVPPZHWOALKQ-KSSFIOAISA-N 0 3 340.858 3.532 20 30 EHEDHN CCN(CCc1ccccc1)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877970479 1137697523 /nfs/dbraw/zinc/69/75/23/1137697523.db2.gz PNOBUJXFKVNRMK-QFIPXVFZSA-N 0 3 334.463 3.992 20 30 EHEDHN CC(=O)[C@@](C#N)(CCN1CCSC2(CCC2)CC1)c1ccccc1 ZINC000878708672 1137725825 /nfs/dbraw/zinc/72/58/25/1137725825.db2.gz VTJUYVZWYDMLCW-FQEVSTJZSA-N 0 3 342.508 3.789 20 30 EHEDHN C[C@H](CCC#N)N1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879614014 1137752590 /nfs/dbraw/zinc/75/25/90/1137752590.db2.gz WIWWGUXIPKDMHK-CQSZACIVSA-N 0 3 335.517 3.502 20 30 EHEDHN C[C@@H](NCCOCC(F)(F)C(F)F)c1ccc(C(F)(F)F)nc1 ZINC000880098270 1137768203 /nfs/dbraw/zinc/76/82/03/1137768203.db2.gz JZFJOGGUTAWYOI-MRVPVSSYSA-N 0 3 348.262 3.668 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000888908127 1137824418 /nfs/dbraw/zinc/82/44/18/1137824418.db2.gz UXODLUXQKZBPDV-TZIWHRDSSA-N 0 3 338.495 3.564 20 30 EHEDHN N#Cc1ccc(C2(NCc3cccc(Cl)c3N)CCOCC2)cc1 ZINC000883190156 1137847923 /nfs/dbraw/zinc/84/79/23/1137847923.db2.gz WQFNCYUMNAAGSC-UHFFFAOYSA-N 0 3 341.842 3.589 20 30 EHEDHN Cc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2ccccc2C#N)s1 ZINC000106875019 1137884785 /nfs/dbraw/zinc/88/47/85/1137884785.db2.gz ACGYQRYCCGMEQY-CYBMUJFWSA-N 0 3 342.468 3.653 20 30 EHEDHN C=CCOc1ccccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000111395379 1137904530 /nfs/dbraw/zinc/90/45/30/1137904530.db2.gz BXKOFJFLYBQLTM-UHFFFAOYSA-N 0 3 335.451 3.891 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(C)c2C)CC1 ZINC000115678881 1137922864 /nfs/dbraw/zinc/92/28/64/1137922864.db2.gz IDFUHNYJGXJJFI-QGZVFWFLSA-N 0 3 329.488 3.704 20 30 EHEDHN Cc1ccc([C@@H]2CSCCN2C[C@H](O)CC2(C#N)CCC2)cc1 ZINC000886012612 1138032392 /nfs/dbraw/zinc/03/23/92/1138032392.db2.gz LGFLUPZOKPTXGD-MSOLQXFVSA-N 0 3 330.497 3.530 20 30 EHEDHN COC(=O)c1cncc([C@H](C)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000886614027 1138101992 /nfs/dbraw/zinc/10/19/92/1138101992.db2.gz LJMXFSNGEUSTRL-HNAYVOBHSA-N 0 3 337.423 3.954 20 30 EHEDHN COC(=O)c1cncc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000886614028 1138102247 /nfs/dbraw/zinc/10/22/47/1138102247.db2.gz LJMXFSNGEUSTRL-KXBFYZLASA-N 0 3 337.423 3.954 20 30 EHEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccccc1SCC#N ZINC000072663551 1138106952 /nfs/dbraw/zinc/10/69/52/1138106952.db2.gz ORAXPWRGJQUMGH-VYDXJSESSA-N 0 3 343.496 3.894 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000078533514 1138150257 /nfs/dbraw/zinc/15/02/57/1138150257.db2.gz DDVYBHPIEBTOSS-INIZCTEOSA-N 0 3 333.501 3.635 20 30 EHEDHN C=CCN1CCC(NC(=O)C2(c3ccc(F)cc3F)CCCC2)CC1 ZINC000090042584 1138208631 /nfs/dbraw/zinc/20/86/31/1138208631.db2.gz NRJVKYLHQKQSOL-UHFFFAOYSA-N 0 3 348.437 3.543 20 30 EHEDHN C=CCN1CC[C@@H](N[C@@H](CCC)c2cccc(C(F)(F)F)c2)C1=O ZINC000337175624 1138485764 /nfs/dbraw/zinc/48/57/64/1138485764.db2.gz IEGBHNTZEYVBHG-JKSUJKDBSA-N 0 3 340.389 3.923 20 30 EHEDHN C=CCN1CC[C@H](N[C@@H](CCc2ccccc2)c2ccccc2)C1=O ZINC000337175267 1138486009 /nfs/dbraw/zinc/48/60/09/1138486009.db2.gz HUUUSNWVNRJYIM-SFTDATJTSA-N 0 3 334.463 3.737 20 30 EHEDHN C=CCN1CC[C@@H](N[C@H](CCC)c2cccc(C(F)(F)F)c2)C1=O ZINC000337175623 1138486176 /nfs/dbraw/zinc/48/61/76/1138486176.db2.gz IEGBHNTZEYVBHG-HZPDHXFCSA-N 0 3 340.389 3.923 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000264403486 1138502040 /nfs/dbraw/zinc/50/20/40/1138502040.db2.gz PMIVJTCINJVIAC-UHFFFAOYSA-N 0 3 325.815 3.641 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cccs2)C(C)C)CC1 ZINC000264405168 1138502516 /nfs/dbraw/zinc/50/25/16/1138502516.db2.gz PXTQUUYIRCKDMJ-UHFFFAOYSA-N 0 3 335.517 3.709 20 30 EHEDHN C=CCCC[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000889931745 1139290656 /nfs/dbraw/zinc/29/06/56/1139290656.db2.gz GOCRISMRMHHRRJ-VQTJNVASSA-N 0 3 339.483 3.740 20 30 EHEDHN CC(C)(C#N)CCCN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000174840851 1139445585 /nfs/dbraw/zinc/44/55/85/1139445585.db2.gz NBHDWRWFNGUXEK-UHFFFAOYSA-N 0 3 329.444 3.523 20 30 EHEDHN C[C@H](NC[C@@H]1COC2(CCCCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000777315234 1139575185 /nfs/dbraw/zinc/57/51/85/1139575185.db2.gz OJYHKGNJDBSARZ-WMLDXEAASA-N 0 3 332.419 3.814 20 30 EHEDHN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1cccc(C#N)c1 ZINC000178177602 1139677573 /nfs/dbraw/zinc/67/75/73/1139677573.db2.gz LQZAKNUAOPEZTI-HUUCEWRRSA-N 0 3 335.407 3.927 20 30 EHEDHN Cc1csc([C@@H](NCCCOc2cccc(C#N)c2)C2CC2)n1 ZINC000181625106 1139920452 /nfs/dbraw/zinc/92/04/52/1139920452.db2.gz JKYAWSQMXGWYSS-KRWDZBQOSA-N 0 3 327.453 3.833 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](N[C@@H](CCC#N)c2ccccc2)C1 ZINC000183350110 1140031295 /nfs/dbraw/zinc/03/12/95/1140031295.db2.gz KMYIQXRIMXKWNF-IRXDYDNUSA-N 0 3 329.444 3.630 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CC[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000777402999 1140076914 /nfs/dbraw/zinc/07/69/14/1140076914.db2.gz VQZUWPYIEKPKOP-BCIXFCFJSA-N 0 3 340.467 3.955 20 30 EHEDHN COC(=O)COc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000185674872 1140162388 /nfs/dbraw/zinc/16/23/88/1140162388.db2.gz XJXKYHABZQGKHR-CABCVRRESA-N 0 3 338.407 3.522 20 30 EHEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000185788848 1140169738 /nfs/dbraw/zinc/16/97/38/1140169738.db2.gz AICVZCSQFGDFSG-MAUKXSAKSA-N 0 3 325.456 3.987 20 30 EHEDHN C=C(Cl)COc1ccc([C@@H](C)NCC2(C)OCCCO2)cc1 ZINC000190666319 1140413988 /nfs/dbraw/zinc/41/39/88/1140413988.db2.gz OTHMITXMHXIIGH-CQSZACIVSA-N 0 3 325.836 3.622 20 30 EHEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cc(C#N)ccc1C)c1ccco1 ZINC000349100104 1141638945 /nfs/dbraw/zinc/63/89/45/1141638945.db2.gz VSQWGACPRYSFRW-RHSMWYFYSA-N 0 3 340.427 3.711 20 30 EHEDHN C=CCC[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823894258 608537757 /nfs/dbraw/zinc/53/77/57/608537757.db2.gz LLABIGQZIHAQKC-SFHVURJKSA-N 0 3 337.402 3.803 20 30 EHEDHN C=CCC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823894258 608537758 /nfs/dbraw/zinc/53/77/58/608537758.db2.gz LLABIGQZIHAQKC-SFHVURJKSA-N 0 3 337.402 3.803 20 30 EHEDHN C=CCC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000823894273 608537843 /nfs/dbraw/zinc/53/78/43/608537843.db2.gz LYILQDXGGFHCIH-QGZVFWFLSA-N 0 3 337.402 3.803 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc2[nH]ccc21 ZINC000823914660 608631900 /nfs/dbraw/zinc/63/19/00/608631900.db2.gz LDBSULXSXJLVHT-UHFFFAOYSA-N 0 3 344.422 3.536 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc2[nH]ccc21 ZINC000823914660 608631901 /nfs/dbraw/zinc/63/19/01/608631901.db2.gz LDBSULXSXJLVHT-UHFFFAOYSA-N 0 3 344.422 3.536 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc2[nH]ccc21 ZINC000823914660 608631902 /nfs/dbraw/zinc/63/19/02/608631902.db2.gz LDBSULXSXJLVHT-UHFFFAOYSA-N 0 3 344.422 3.536 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc2[nH]ccc21 ZINC000823914660 608631903 /nfs/dbraw/zinc/63/19/03/608631903.db2.gz LDBSULXSXJLVHT-UHFFFAOYSA-N 0 3 344.422 3.536 20 30 EHEDHN C#CCCCCCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001573281718 946679207 /nfs/dbraw/zinc/67/92/07/946679207.db2.gz ATYOVWKSENGQIK-UHFFFAOYSA-N 0 3 339.487 3.908 20 30 EHEDHN C#CCCCCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001573281718 946679212 /nfs/dbraw/zinc/67/92/12/946679212.db2.gz ATYOVWKSENGQIK-UHFFFAOYSA-N 0 3 339.487 3.908 20 30 EHEDHN C#CCCCCCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001573281718 946679224 /nfs/dbraw/zinc/67/92/24/946679224.db2.gz ATYOVWKSENGQIK-UHFFFAOYSA-N 0 3 339.487 3.908 20 30 EHEDHN C#CCCCCCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001573281718 946679236 /nfs/dbraw/zinc/67/92/36/946679236.db2.gz ATYOVWKSENGQIK-UHFFFAOYSA-N 0 3 339.487 3.908 20 30 EHEDHN COc1ccc(Cl)cc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000537989043 1032067373 /nfs/dbraw/zinc/06/73/73/1032067373.db2.gz WSNAVXXPILGEGL-ZDUSSCGKSA-N 0 3 330.815 3.950 20 30 EHEDHN N#Cc1ccc(C2CCN(C(=O)Nc3ccc4c(c3)CNC4)CC2)cc1 ZINC000904515084 1032090696 /nfs/dbraw/zinc/09/06/96/1032090696.db2.gz IABPPWZGVZTXPK-UHFFFAOYSA-N 0 3 346.434 3.573 20 30 EHEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1cc(C)c(F)c(C)c1)C2 ZINC001143374126 1014804206 /nfs/dbraw/zinc/80/42/06/1014804206.db2.gz MJMAFPLMHCWGBU-OAQYLSRUSA-N 0 3 344.474 3.976 20 30 EHEDHN COC(=O)c1cccc(CN2CCC[C@H]2C2CCCCC2)c1C#N ZINC001167071469 1015062598 /nfs/dbraw/zinc/06/25/98/1015062598.db2.gz MBIKBLZOWBBCKP-IBGZPJMESA-N 0 3 326.440 3.890 20 30 EHEDHN C=CCCCN1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC001209160221 1015870180 /nfs/dbraw/zinc/87/01/80/1015870180.db2.gz KALGYBYHWMCBGT-UHFFFAOYSA-N 0 3 333.785 3.842 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000533513646 1015871542 /nfs/dbraw/zinc/87/15/42/1015871542.db2.gz MGWQPFXMFXLSAW-KXBFYZLASA-N 0 3 330.447 3.846 20 30 EHEDHN C=CCCC[C@@H](C)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000538094924 1032138133 /nfs/dbraw/zinc/13/81/33/1032138133.db2.gz VPSBIHNBSRIAMS-QGZVFWFLSA-N 0 3 339.483 3.599 20 30 EHEDHN Cc1cc(C#N)cc(C)c1Cc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000904624294 1032146937 /nfs/dbraw/zinc/14/69/37/1032146937.db2.gz LYDZMPTUHAKAJW-UHFFFAOYSA-N 0 3 346.434 3.878 20 30 EHEDHN CN1CC[C@H](Nc2nc3c(Cl)cc(F)cc3c(Cl)c2C#N)C1 ZINC001167275473 1016933965 /nfs/dbraw/zinc/93/39/65/1016933965.db2.gz PYVYLVYEJNMURH-VIFPVBQESA-N 0 3 339.201 3.668 20 30 EHEDHN C=CCN(CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)C1CC1 ZINC000536745151 1032227137 /nfs/dbraw/zinc/22/71/37/1032227137.db2.gz HDCOJPKONLPDBI-GFCCVEGCSA-N 0 3 342.512 3.591 20 30 EHEDHN C=CCCOc1ccccc1-c1nc(C(F)(F)F)n2c1CNCC2 ZINC000904804605 1032257376 /nfs/dbraw/zinc/25/73/76/1032257376.db2.gz CZIQRFQLNPQALQ-UHFFFAOYSA-N 0 3 337.345 3.627 20 30 EHEDHN CC(C)(C(=O)C(C#N)c1nc2cc(F)ccc2s1)c1cccnc1 ZINC000760202098 1032326197 /nfs/dbraw/zinc/32/61/97/1032326197.db2.gz DWHQUNXDBGAXTL-ZDUSSCGKSA-N 0 3 339.395 3.984 20 30 EHEDHN N#Cc1cccc(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000050273494 1032337738 /nfs/dbraw/zinc/33/77/38/1032337738.db2.gz PIKKFKKHLNSNKO-LJQANCHMSA-N 0 3 339.826 3.891 20 30 EHEDHN C[C@](O)(CNCc1ccc(C(F)F)cc1)C(F)(F)C(F)(F)F ZINC000905213036 1032387258 /nfs/dbraw/zinc/38/72/58/1032387258.db2.gz BEVJHDGCLUPENA-NSHDSACASA-N 0 3 333.247 3.662 20 30 EHEDHN Cn1cc(CN[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1C#N ZINC000190908159 1032410516 /nfs/dbraw/zinc/41/05/16/1032410516.db2.gz UYSLFQAACVJUTP-QGZVFWFLSA-N 0 3 331.366 3.665 20 30 EHEDHN COc1ccc(CNCC(C)(C)CC#N)c(OCc2cccnc2)c1 ZINC000459739776 1032454959 /nfs/dbraw/zinc/45/49/59/1032454959.db2.gz ZGJASLVNQJOLCN-UHFFFAOYSA-N 0 3 339.439 3.699 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccs1 ZINC000537077982 1032507805 /nfs/dbraw/zinc/50/78/05/1032507805.db2.gz OCXCQYUFUUZROY-ROUUACIJSA-N 0 3 333.501 3.623 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1cccs1 ZINC000537075314 1032508006 /nfs/dbraw/zinc/50/80/06/1032508006.db2.gz OYMUIAGTNYTBFX-QZTJIDSGSA-N 0 3 335.517 3.869 20 30 EHEDHN C[C@H](CNCc1ccc(C#N)cc1F)c1nc(-c2ccccc2)no1 ZINC000089794949 1032541763 /nfs/dbraw/zinc/54/17/63/1032541763.db2.gz XOKDLDCZNVDATH-CYBMUJFWSA-N 0 3 336.370 3.641 20 30 EHEDHN N#Cc1c(F)cccc1CNC[C@@H](c1cccs1)N1CCCC1 ZINC000601999883 1032586329 /nfs/dbraw/zinc/58/63/29/1032586329.db2.gz WYODQHJEBNUEPI-KRWDZBQOSA-N 0 3 329.444 3.686 20 30 EHEDHN C=C(C)COc1cc(CN2CC[C@@H](OCC)[C@H](C)C2)ccc1OC ZINC000449502825 1032680302 /nfs/dbraw/zinc/68/03/02/1032680302.db2.gz XBMYEHQVCTYGLE-SJLPKXTDSA-N 0 3 333.472 3.897 20 30 EHEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000597858463 1032718350 /nfs/dbraw/zinc/71/83/50/1032718350.db2.gz LVBXZLQFAGZPOV-QGZVFWFLSA-N 0 3 347.462 3.828 20 30 EHEDHN N#Cc1csc(CN2CCC(CN3CCc4ccccc43)CC2)c1 ZINC000511527050 1018051977 /nfs/dbraw/zinc/05/19/77/1018051977.db2.gz SWFDTXHYBURGDO-UHFFFAOYSA-N 0 3 337.492 3.894 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(C2CC2)cc1 ZINC000419356521 1018808220 /nfs/dbraw/zinc/80/82/20/1018808220.db2.gz OJOOBSSTQCEPOC-QEEYODRMSA-N 0 3 327.472 3.658 20 30 EHEDHN Cc1ccc(NC(=O)/C=C\c2ccc(OCC#N)cc2)c(CN(C)C)c1 ZINC000255380543 1019017947 /nfs/dbraw/zinc/01/79/47/1019017947.db2.gz XWHQDYSKRRDREL-XFFZJAGNSA-N 0 3 349.434 3.611 20 30 EHEDHN N#Cc1ccc(OC2CCN(C[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000729032283 1019166468 /nfs/dbraw/zinc/16/64/68/1019166468.db2.gz BSLZAXIIPUWXCI-CYBMUJFWSA-N 0 3 325.239 3.595 20 30 EHEDHN CCCCCCCN1CCc2nc(C(=O)N3CCCCO3)ccc2C1 ZINC001279865919 1019430775 /nfs/dbraw/zinc/43/07/75/1019430775.db2.gz CAAXTPGVISMBAL-UHFFFAOYSA-N 0 3 345.487 3.578 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)NCC1(C#N)CCCC1)c1ccsc1 ZINC000593306146 1032859047 /nfs/dbraw/zinc/85/90/47/1032859047.db2.gz RQUZIDSJECNJGE-INIZCTEOSA-N 0 3 348.516 3.514 20 30 EHEDHN CCN(C(=O)c1sc2ccc(C#N)cc2c1C)[C@@H]1CCN(CC)C1 ZINC000598040329 1032873997 /nfs/dbraw/zinc/87/39/97/1032873997.db2.gz PCWGKEBGABTTKG-OAHLLOKOSA-N 0 3 341.480 3.638 20 30 EHEDHN CCc1nc(C)c([C@@H](C)N(C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC001167464059 1020930356 /nfs/dbraw/zinc/93/03/56/1020930356.db2.gz FCUNYCBIGPEPCN-CJNGLKHVSA-N 0 3 329.469 3.612 20 30 EHEDHN N#Cc1ccc(CN[C@H](CN2CCCCC2)c2ccccc2)s1 ZINC000610511926 1021126531 /nfs/dbraw/zinc/12/65/31/1021126531.db2.gz JXEQORIEPXJSAI-LJQANCHMSA-N 0 3 325.481 3.937 20 30 EHEDHN CN(CCOc1cccc(C#N)c1)Cc1ccccc1N1CCCC1 ZINC000051120830 1021179703 /nfs/dbraw/zinc/17/97/03/1021179703.db2.gz GXLOELBZOTUTPF-UHFFFAOYSA-N 0 3 335.451 3.669 20 30 EHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H](N)c1ccccc1 ZINC000602530726 1032964493 /nfs/dbraw/zinc/96/44/93/1032964493.db2.gz QAMRLHMRZJVUFA-FQEVSTJZSA-N 0 3 335.451 3.633 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]cc2-c2ccccc2F)CC1 ZINC000426363809 1021385941 /nfs/dbraw/zinc/38/59/41/1021385941.db2.gz XBNCMLMITUHCKL-UHFFFAOYSA-N 0 3 341.430 3.591 20 30 EHEDHN CN(CCC1CCCCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000507597397 1021388361 /nfs/dbraw/zinc/38/83/61/1021388361.db2.gz MRNHKZXBXBGMHH-IBGZPJMESA-N 0 3 325.456 3.566 20 30 EHEDHN Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000278774153 1032982942 /nfs/dbraw/zinc/98/29/42/1032982942.db2.gz YLYUWOIFKYIRPH-UHFFFAOYSA-N 0 3 337.452 3.519 20 30 EHEDHN N#Cc1ccccc1CSCCNCc1cc(F)c(F)c(F)c1 ZINC000518769738 1021520920 /nfs/dbraw/zinc/52/09/20/1021520920.db2.gz YBGRCSVGMJAOLP-UHFFFAOYSA-N 0 3 336.382 3.999 20 30 EHEDHN N#CC1(CNC2CCN(Cc3ccc(Cl)cc3)CC2)CCCC1 ZINC000593653743 1032998512 /nfs/dbraw/zinc/99/85/12/1032998512.db2.gz WLKKDGCOLYPMKP-UHFFFAOYSA-N 0 3 331.891 3.978 20 30 EHEDHN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@H](N)CCCCC#N ZINC000602587229 1033008166 /nfs/dbraw/zinc/00/81/66/1033008166.db2.gz YFUPDJRTSYQMHU-IEBWSBKVSA-N 0 3 349.906 3.825 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@H](c2ccccc2)c2ccccc21 ZINC000602604547 1033022251 /nfs/dbraw/zinc/02/22/51/1033022251.db2.gz YPLYKPCAHSQJBF-UYAOXDASSA-N 0 3 347.462 3.966 20 30 EHEDHN C=CCc1cc(CN(C)CCOc2ccccc2F)cc(OC)c1O ZINC000506147497 1022188754 /nfs/dbraw/zinc/18/87/54/1022188754.db2.gz JMNQHFUAUZSMAB-UHFFFAOYSA-N 0 3 345.414 3.779 20 30 EHEDHN CCC[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000341546938 1022239888 /nfs/dbraw/zinc/23/98/88/1022239888.db2.gz NHBKTRNLXAIMGI-MSOLQXFVSA-N 0 3 327.472 3.834 20 30 EHEDHN C[C@@]1(Br)C[C@H]1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000891721646 1022461169 /nfs/dbraw/zinc/46/11/69/1022461169.db2.gz BUYDEMSUZYLULI-WMLDXEAASA-N 0 3 349.272 3.575 20 30 EHEDHN CN1CC[C@H](NCc2ccc(C#N)cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000536339559 1022918187 /nfs/dbraw/zinc/91/81/87/1022918187.db2.gz UATLJUIXJVQNNR-RBUKOAKNSA-N 0 3 343.833 3.886 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000518016771 1022931239 /nfs/dbraw/zinc/93/12/39/1022931239.db2.gz RLLQGEHJZHAJFQ-GOSISDBHSA-N 0 3 349.906 3.987 20 30 EHEDHN CN(C)[C@H](CNc1ccc(C#N)nc1)c1cccc(C(F)(F)F)c1 ZINC000184352069 1022947275 /nfs/dbraw/zinc/94/72/75/1022947275.db2.gz GOJFTUGIQMFAHR-MRXNPFEDSA-N 0 3 334.345 3.687 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](CC(C)C)c1ccccc1C ZINC000341681021 1022988472 /nfs/dbraw/zinc/98/84/72/1022988472.db2.gz GDXALNXSOONYBF-QFBILLFUSA-N 0 3 329.488 3.680 20 30 EHEDHN C=CCCN(C)Cc1cc(Br)ccc1OCCOCC ZINC000467375943 1023031814 /nfs/dbraw/zinc/03/18/14/1023031814.db2.gz GXXAIXQIVAMCDE-UHFFFAOYSA-N 0 3 342.277 3.872 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000426794461 1023052271 /nfs/dbraw/zinc/05/22/71/1023052271.db2.gz RPHMTQPQUWGUIV-OALUTQOASA-N 0 3 339.483 3.672 20 30 EHEDHN N#CC1(NC(=O)CN(Cc2ccccc2)CC2CCC2)CCCCC1 ZINC000518594687 1023123048 /nfs/dbraw/zinc/12/30/48/1023123048.db2.gz XSKAPHREYWZAFE-UHFFFAOYSA-N 0 3 339.483 3.631 20 30 EHEDHN CC[C@H](O)[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427005338 1023162634 /nfs/dbraw/zinc/16/26/34/1023162634.db2.gz RAFARHISKVSYAL-IRXDYDNUSA-N 0 3 325.374 3.682 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000664865452 1023234043 /nfs/dbraw/zinc/23/40/43/1023234043.db2.gz JELACESSIHNJOW-YSHGAJCASA-N 0 3 327.472 3.570 20 30 EHEDHN C=CCC[C@H](N[C@H](C)CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000341869961 1023499712 /nfs/dbraw/zinc/49/97/12/1023499712.db2.gz CUMAGGILZMTKRU-DOMZBBRYSA-N 0 3 349.418 3.735 20 30 EHEDHN C=CCC[C@H](NCC(=O)NCc1sccc1C)c1ccccc1 ZINC000341935359 1023707269 /nfs/dbraw/zinc/70/72/69/1023707269.db2.gz ZDICRKDKLUWGPF-KRWDZBQOSA-N 0 3 328.481 3.970 20 30 EHEDHN C=CCC[C@H](NCCNC(=O)c1ccc(C)c(F)c1)c1ccco1 ZINC000514082174 1024115832 /nfs/dbraw/zinc/11/58/32/1024115832.db2.gz FYGZUPHDWBHNGM-KRWDZBQOSA-N 0 3 330.403 3.754 20 30 EHEDHN C[C@@H]1CN(CCCCNc2cccc(C(F)F)c2C#N)C[C@H](C)O1 ZINC000520669561 1024388805 /nfs/dbraw/zinc/38/88/05/1024388805.db2.gz VVDNWPCHPNXSSJ-OKILXGFUSA-N 0 3 337.414 3.797 20 30 EHEDHN Cc1cc(C)cc([C@@H](C)N[C@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000434880561 1024480292 /nfs/dbraw/zinc/48/02/92/1024480292.db2.gz PCTUGJMJPRLAMP-PBHICJAKSA-N 0 3 339.464 3.693 20 30 EHEDHN C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000434905939 1024497675 /nfs/dbraw/zinc/49/76/75/1024497675.db2.gz SIIZMSXAWWWDHJ-PKOBYXMFSA-N 0 3 339.483 3.549 20 30 EHEDHN C[C@@H](NCc1ccccc1Cn1ccnc1)c1ccc(C#N)c(F)c1 ZINC000346211596 1024502915 /nfs/dbraw/zinc/50/29/15/1024502915.db2.gz YNAQQWXGYCVJAV-OAHLLOKOSA-N 0 3 334.398 3.793 20 30 EHEDHN COc1ccc(C[C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000179008806 1024523590 /nfs/dbraw/zinc/52/35/90/1024523590.db2.gz YOBHEAAEXVCIPR-XJKSGUPXSA-N 0 3 334.375 3.891 20 30 EHEDHN N#Cc1cccc(CN2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000895564679 1024615571 /nfs/dbraw/zinc/61/55/71/1024615571.db2.gz ZBIUJJGKZANBSI-KRWDZBQOSA-N 0 3 343.434 3.723 20 30 EHEDHN CN(Cc1ccc(C(F)F)c(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000895141101 1024995246 /nfs/dbraw/zinc/99/52/46/1024995246.db2.gz IHBMSWUYIJMMJA-KRWDZBQOSA-N 0 3 334.341 3.800 20 30 EHEDHN N#Cc1ccnc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000342402262 1025212933 /nfs/dbraw/zinc/21/29/33/1025212933.db2.gz CZKYWGOSFYOXSU-INIZCTEOSA-N 0 3 346.356 3.658 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(cncc3Cl)s2)CC1 ZINC000896209153 1025247568 /nfs/dbraw/zinc/24/75/68/1025247568.db2.gz WAQGAHIPHOAAMR-UHFFFAOYSA-N 0 3 349.887 3.720 20 30 EHEDHN C=CCCC1(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)CC1 ZINC000474780575 1025458169 /nfs/dbraw/zinc/45/81/69/1025458169.db2.gz MXRIZFPWARSPJY-IBGZPJMESA-N 0 3 326.484 3.686 20 30 EHEDHN COc1cc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)ccc1C#N ZINC000281797159 1025491808 /nfs/dbraw/zinc/49/18/08/1025491808.db2.gz VAFQJCLZHALWQA-CQSZACIVSA-N 0 3 349.434 3.766 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(SC)cc2)CC1 ZINC000281821321 1025538555 /nfs/dbraw/zinc/53/85/55/1025538555.db2.gz KDRWWHQQTSYRGN-HNNXBMFYSA-N 0 3 347.528 3.809 20 30 EHEDHN Cc1ccc(OC[C@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000425540572 1025687901 /nfs/dbraw/zinc/68/79/01/1025687901.db2.gz OKCIQKDRTQMQRP-FXAWDEMLSA-N 0 3 338.451 3.608 20 30 EHEDHN N#Cc1ccc(Br)cc1CN(C1CCC1)C1CCOCC1 ZINC001141907826 1025903793 /nfs/dbraw/zinc/90/37/93/1025903793.db2.gz QBVGBOTVKBNFJC-UHFFFAOYSA-N 0 3 349.272 3.854 20 30 EHEDHN C=CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000522074563 1025941344 /nfs/dbraw/zinc/94/13/44/1025941344.db2.gz PJLIIISQBNGIEV-HXUWFJFHSA-N 0 3 341.499 3.740 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1NCc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000451608909 1026141387 /nfs/dbraw/zinc/14/13/87/1026141387.db2.gz CIYSZKUMTUDBMC-MOPGFXCFSA-N 0 3 345.874 3.635 20 30 EHEDHN Clc1ccccc1C#CCN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451627967 1026163214 /nfs/dbraw/zinc/16/32/14/1026163214.db2.gz OEPMMDKLCLSPMM-MJGOQNOKSA-N 0 3 329.871 3.973 20 30 EHEDHN CC1(CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000897055421 1026281160 /nfs/dbraw/zinc/28/11/60/1026281160.db2.gz OSGKTOIAIKAQBE-YUMQZZPRSA-N 0 3 337.254 3.889 20 30 EHEDHN C=CCC[C@@H](CCC)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000475430693 1026613010 /nfs/dbraw/zinc/61/30/10/1026613010.db2.gz VDKYNGBVNLQOIK-HUUCEWRRSA-N 0 3 339.277 3.700 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000684927947 1026671609 /nfs/dbraw/zinc/67/16/09/1026671609.db2.gz ASQZJVCEDAZNEL-IBGZPJMESA-N 0 3 329.488 3.567 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNc1ccccc1CN1CCC(O)CC1 ZINC000892280390 1026958404 /nfs/dbraw/zinc/95/84/04/1026958404.db2.gz JBTAMFNKFKCWDE-UHFFFAOYSA-N 0 3 349.478 3.744 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(F)cc2F)s1 ZINC000419828244 1027203554 /nfs/dbraw/zinc/20/35/54/1027203554.db2.gz CEWUOMCUFMFHNF-SNVBAGLBSA-N 0 3 335.379 3.965 20 30 EHEDHN CC(C)NC(=O)Nc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421342894 1028284392 /nfs/dbraw/zinc/28/43/92/1028284392.db2.gz PCXNTRJEYAOFLW-UHFFFAOYSA-N 0 3 340.402 3.517 20 30 EHEDHN Cc1cccc(NC(=O)C[C@H](C)NCc2ccc(C#N)s2)c1C ZINC000421355376 1028297224 /nfs/dbraw/zinc/29/72/24/1028297224.db2.gz ULAONIHCXHLNLB-ZDUSSCGKSA-N 0 3 327.453 3.744 20 30 EHEDHN CC(C)CC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424099803 1028785017 /nfs/dbraw/zinc/78/50/17/1028785017.db2.gz WAXGEDFRGVRGDP-SJORKVTESA-N 0 3 335.879 3.955 20 30 EHEDHN CC(C)c1sc(NC(=O)[C@H](N)CCCC#N)nc1-c1ccccc1 ZINC000424085987 1028790530 /nfs/dbraw/zinc/79/05/30/1028790530.db2.gz DAXUDUPFWIRKCH-CQSZACIVSA-N 0 3 342.468 3.893 20 30 EHEDHN Cc1csc(Sc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)n1 ZINC000424095399 1028795654 /nfs/dbraw/zinc/79/56/54/1028795654.db2.gz NMASZGGXSONXLW-AWEZNQCLSA-N 0 3 346.481 3.562 20 30 EHEDHN C[C@@H](c1ccc2ccccc2c1)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424097719 1028801506 /nfs/dbraw/zinc/80/15/06/1028801506.db2.gz BIYZMCVPTFISRR-MGPUTAFESA-N 0 3 335.451 3.913 20 30 EHEDHN Cc1c2ccccc2oc1[C@H](NC(=O)[C@@H](N)CCCC#N)C(C)C ZINC000424143404 1028830799 /nfs/dbraw/zinc/83/07/99/1028830799.db2.gz RBBHIUBUIAWQQJ-DOTOQJQBSA-N 0 3 327.428 3.576 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCc3c(F)cccc32)CC1 ZINC000454465552 1028936445 /nfs/dbraw/zinc/93/64/45/1028936445.db2.gz PCIBYDWBJKDHGQ-IBGZPJMESA-N 0 3 345.462 3.543 20 30 EHEDHN C[C@H](N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)(C)C ZINC000532927864 1029050139 /nfs/dbraw/zinc/05/01/39/1029050139.db2.gz UVVKYPJSKHSTHF-AWEZNQCLSA-N 0 3 335.879 3.953 20 30 EHEDHN C=C(C)[C@H](NC[C@@H](O)COCc1ccccc1)c1ccc(F)c(F)c1 ZINC000187774833 1029141125 /nfs/dbraw/zinc/14/11/25/1029141125.db2.gz PSOKOUQTDPFUOU-XLIONFOSSA-N 0 3 347.405 3.749 20 30 EHEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000424855867 1029390899 /nfs/dbraw/zinc/39/08/99/1029390899.db2.gz UEHMDBFFXPUHAZ-SFHVURJKSA-N 0 3 332.488 3.795 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000245872254 1029405097 /nfs/dbraw/zinc/40/50/97/1029405097.db2.gz WOYRQKKWFJRRNU-MAODMQOUSA-N 0 3 336.435 3.987 20 30 EHEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533290803 1029584201 /nfs/dbraw/zinc/58/42/01/1029584201.db2.gz MXNINHXJRNALAQ-IGCXYCKISA-N 0 3 331.847 3.803 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)CC2CCCC2)c1C ZINC000064021557 1030434245 /nfs/dbraw/zinc/43/42/45/1030434245.db2.gz AKPRXVSOJANGPA-UHFFFAOYSA-N 0 3 327.472 3.672 20 30 EHEDHN C[C@@H](c1ccc(F)cc1F)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000093078527 1030553101 /nfs/dbraw/zinc/55/31/01/1030553101.db2.gz QVMYDSUYVWHLGP-HNNXBMFYSA-N 0 3 335.442 3.973 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCc3ccc(F)cc32)CC1 ZINC000093124438 1030563336 /nfs/dbraw/zinc/56/33/36/1030563336.db2.gz UWOBDFJVTZXZGP-IBGZPJMESA-N 0 3 345.462 3.543 20 30 EHEDHN Cc1cccc(C(C)(C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000447885179 1030563525 /nfs/dbraw/zinc/56/35/25/1030563525.db2.gz DKFKDAYMLUNLNC-FQEVSTJZSA-N 0 3 347.462 3.887 20 30 EHEDHN CN(CCCC1(C#N)CCOCC1)Cc1cc(F)c(F)c(F)c1 ZINC000282035387 1030582047 /nfs/dbraw/zinc/58/20/47/1030582047.db2.gz QKEVXVOWBZZTPQ-UHFFFAOYSA-N 0 3 326.362 3.636 20 30 EHEDHN C[C@H](NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccc(C#N)cc1F ZINC000926915926 1031259490 /nfs/dbraw/zinc/25/94/90/1031259490.db2.gz MTHNGZKGNIWZIV-WBIUFABUSA-N 0 3 330.325 3.848 20 30 EHEDHN C[C@H](NCc1cccc(OCCCC#N)c1)c1ccc2c(c1)OCO2 ZINC000237495756 1031368161 /nfs/dbraw/zinc/36/81/61/1031368161.db2.gz YOHYXWLCIWCADU-HNNXBMFYSA-N 0 3 338.407 3.949 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC1CCCCC1 ZINC000219616364 1031380113 /nfs/dbraw/zinc/38/01/13/1031380113.db2.gz NMKUJZYECRIFEM-QGZVFWFLSA-N 0 3 327.472 3.834 20 30 EHEDHN CC[C@](C)(COc1ncccc1Cl)NCC#Cc1ccccc1 ZINC000484082434 1031443342 /nfs/dbraw/zinc/44/33/42/1031443342.db2.gz SCPKCDAFVVDFBK-LJQANCHMSA-N 0 3 328.843 3.924 20 30 EHEDHN C=CCN(CC(=O)N1CCc2sccc2C1)CC1CCCCC1 ZINC000484487661 1031603980 /nfs/dbraw/zinc/60/39/80/1031603980.db2.gz NAYFHTQSGFTGJR-UHFFFAOYSA-N 0 3 332.513 3.701 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](CCC)c2ccc(Cl)cc2)CC1 ZINC000668369356 1031884393 /nfs/dbraw/zinc/88/43/93/1031884393.db2.gz VKWMWKPSJLVKPP-SFHVURJKSA-N 0 3 334.891 3.990 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000668369344 1031884796 /nfs/dbraw/zinc/88/47/96/1031884796.db2.gz VGBRVQYJSPGKPR-UHFFFAOYSA-N 0 3 334.872 3.935 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@H](Cc3nccs3)C2)cc1OC ZINC000898071924 1033324682 /nfs/dbraw/zinc/32/46/82/1033324682.db2.gz USXCIQVWLBMLLA-MRXNPFEDSA-N 0 3 344.480 3.781 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000594445765 1033379544 /nfs/dbraw/zinc/37/95/44/1033379544.db2.gz LMCIGQZRPRZMBA-ZWKOTPCHSA-N 0 3 331.435 3.584 20 30 EHEDHN CCCCc1ccc2nc(NC(=O)[C@@H](N)CCCCC#N)sc2c1 ZINC000594427915 1033389862 /nfs/dbraw/zinc/38/98/62/1033389862.db2.gz XONLSQBGGPOAMR-AWEZNQCLSA-N 0 3 344.484 3.989 20 30 EHEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cc(F)c(Cl)cc1Cl ZINC000594425302 1033390170 /nfs/dbraw/zinc/39/01/70/1033390170.db2.gz HIPKLXVEGKZFMH-OTYXRUKQSA-N 0 3 346.233 3.721 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CN1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC000598705974 1033399961 /nfs/dbraw/zinc/39/99/61/1033399961.db2.gz OEXYOWIMZOJBPF-NRFANRHFSA-N 0 3 348.490 3.783 20 30 EHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCc2ccccc2NC1=O ZINC000594512819 1033417458 /nfs/dbraw/zinc/41/74/58/1033417458.db2.gz RTLMTIMPMXBXJZ-SFTDATJTSA-N 0 3 345.446 3.869 20 30 EHEDHN CN1CCC(N(C(=O)CC2(C#N)CCCCC2)c2ccccc2)CC1 ZINC000598807588 1033479575 /nfs/dbraw/zinc/47/95/75/1033479575.db2.gz MGHWRBAAFNTEJU-UHFFFAOYSA-N 0 3 339.483 3.978 20 30 EHEDHN N#C[C@@H]1CNC[C@H]1OC(Cl)(Cl)c1ccc(Cl)cc1Cl ZINC001217831429 1033498639 /nfs/dbraw/zinc/49/86/39/1033498639.db2.gz JTMGAAMRJLMTIR-RDDDGLTNSA-N 0 3 340.037 3.709 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3ccccc3F)o2)CC1 ZINC000106039283 1033530159 /nfs/dbraw/zinc/53/01/59/1033530159.db2.gz KQBZYIPYHHTJPS-UHFFFAOYSA-N 0 3 342.414 3.856 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(CCCC2)C1 ZINC000173830282 1033537075 /nfs/dbraw/zinc/53/70/75/1033537075.db2.gz QLYJWGCJGJGVHJ-QGZVFWFLSA-N 0 3 325.456 3.588 20 30 EHEDHN CC(C)(NCc1ccc(O[C@H]2CCOC2)cc1)c1cccc(C#N)c1 ZINC000594966863 1033605281 /nfs/dbraw/zinc/60/52/81/1033605281.db2.gz BQVPRLQRJIMYKN-FQEVSTJZSA-N 0 3 336.435 3.751 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3ccc4cn[nH]c4c3)CC2)cc1 ZINC000603428842 1033623527 /nfs/dbraw/zinc/62/35/27/1033623527.db2.gz SKIPXXUEVDQHTG-UHFFFAOYSA-N 0 3 331.423 3.511 20 30 EHEDHN Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1C#N ZINC000599316158 1033868551 /nfs/dbraw/zinc/86/85/51/1033868551.db2.gz LHGRNKHSZRJMHP-LJQANCHMSA-N 0 3 347.462 3.509 20 30 EHEDHN N#Cc1ccc(CNC[C@H](O)c2cc(Cl)cc(Cl)c2)s1 ZINC000176972140 1033896706 /nfs/dbraw/zinc/89/67/06/1033896706.db2.gz UXPAJAGFKYGHFO-AWEZNQCLSA-N 0 3 327.236 3.750 20 30 EHEDHN CCN(CC)c1ccc(CNCc2ccc(OC)c(C#N)c2)cc1F ZINC000174372531 1033910805 /nfs/dbraw/zinc/91/08/05/1033910805.db2.gz FQCBCUVHIYXIHQ-UHFFFAOYSA-N 0 3 341.430 3.842 20 30 EHEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000595657742 1033937106 /nfs/dbraw/zinc/93/71/06/1033937106.db2.gz BPUFUJJIKQSTBS-QZTJIDSGSA-N 0 3 325.456 3.610 20 30 EHEDHN CC(C)(C)N1CC[C@H]1CNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000595662267 1033940699 /nfs/dbraw/zinc/94/06/99/1033940699.db2.gz GTMPITGTKKHPRK-ZWKOTPCHSA-N 0 3 342.487 3.594 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2ccc(-n3cccn3)cc2)cc1C#N ZINC000174436395 1033946693 /nfs/dbraw/zinc/94/66/93/1033946693.db2.gz YXLUMULUNWQSSJ-HNNXBMFYSA-N 0 3 332.407 3.603 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC000594332499 1033966620 /nfs/dbraw/zinc/96/66/20/1033966620.db2.gz RQBHJBGUOCSBQP-MRXNPFEDSA-N 0 3 335.451 3.746 20 30 EHEDHN N#Cc1ccccc1N1CCCN(CCCC(=O)c2ccccc2)CC1 ZINC000450262858 1034008387 /nfs/dbraw/zinc/00/83/87/1034008387.db2.gz VAURAAIFXLWWMK-UHFFFAOYSA-N 0 3 347.462 3.733 20 30 EHEDHN CC[C@@H](c1ccccc1)N(CC(=O)N[C@@](C)(C#N)C1CC1)C(C)C ZINC000595858536 1034011475 /nfs/dbraw/zinc/01/14/75/1034011475.db2.gz VJJOABFKWSHJTN-ICSRJNTNSA-N 0 3 327.472 3.657 20 30 EHEDHN C=CCOc1c(Cl)cc(CN2CCC[C@H]2C(C)(C)O)cc1OC ZINC000628238007 1034013673 /nfs/dbraw/zinc/01/36/73/1034013673.db2.gz IFGNUXZUABNRJZ-INIZCTEOSA-N 0 3 339.863 3.649 20 30 EHEDHN CCN(CCOc1ccccc1OC)Cc1ccc(F)c(C#N)c1 ZINC000595879576 1034016349 /nfs/dbraw/zinc/01/63/49/1034016349.db2.gz TWPRQPOKHIYYTK-UHFFFAOYSA-N 0 3 328.387 3.607 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000595993294 1034041771 /nfs/dbraw/zinc/04/17/71/1034041771.db2.gz XVQSNKYFPAUZKI-NSHDSACASA-N 0 3 349.740 3.588 20 30 EHEDHN Cc1cc(NC[C@H](c2ccco2)N2CCCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596056085 1034056363 /nfs/dbraw/zinc/05/63/63/1034056363.db2.gz WTXSWDUBGUADEM-MRXNPFEDSA-N 0 3 340.383 3.617 20 30 EHEDHN C[C@H]1CCN(Cc2ccccc2)CCN1c1nc(C#N)c(Cl)s1 ZINC000596150959 1034095024 /nfs/dbraw/zinc/09/50/24/1034095024.db2.gz GCGZTSWHEPUJIF-ZDUSSCGKSA-N 0 3 346.887 3.769 20 30 EHEDHN C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)N1CCc2ccccc2C1 ZINC000255757997 1034310769 /nfs/dbraw/zinc/31/07/69/1034310769.db2.gz YUZSDZOBEKFMBI-GMPVXANTSA-N 0 3 345.446 3.806 20 30 EHEDHN CN1CCN(Cc2ccccc2-c2ccccc2C2(C#N)CC2)CC1 ZINC000596639978 1034342812 /nfs/dbraw/zinc/34/28/12/1034342812.db2.gz WTDXMTUTPLZBMF-UHFFFAOYSA-N 0 3 331.463 3.656 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)CC2(C#N)CCCCC2)N(C)C)cc1 ZINC000596970485 1034473372 /nfs/dbraw/zinc/47/33/72/1034473372.db2.gz KNRVAYCIHCWAQN-SFHVURJKSA-N 0 3 327.472 3.578 20 30 EHEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC1(C#N)CCCCC1 ZINC000596973663 1034474310 /nfs/dbraw/zinc/47/43/10/1034474310.db2.gz RYHYWUYMPWPWSQ-UHFFFAOYSA-N 0 3 345.462 3.580 20 30 EHEDHN C[C@H](CC(C)(C)C#N)N[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000926632761 1034529296 /nfs/dbraw/zinc/52/92/96/1034529296.db2.gz FOJVSZGHVMJRON-IUODEOHRSA-N 0 3 344.377 3.927 20 30 EHEDHN CC(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597089052 1034538796 /nfs/dbraw/zinc/53/87/96/1034538796.db2.gz SSVVXDZRUHKWBY-SFHVURJKSA-N 0 3 340.467 3.795 20 30 EHEDHN CCOc1cccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180053676 1035300982 /nfs/dbraw/zinc/30/09/82/1035300982.db2.gz PMVVZNKBTSSUIZ-UHFFFAOYSA-N 0 3 346.434 3.647 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000431725781 1035373583 /nfs/dbraw/zinc/37/35/83/1035373583.db2.gz OHRLXTULUZXITL-QFBILLFUSA-N 0 3 348.450 3.824 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCC1CCCC1 ZINC000463491166 1035560452 /nfs/dbraw/zinc/56/04/52/1035560452.db2.gz NLRALGXVHITARP-UHFFFAOYSA-N 0 3 341.499 3.809 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)/C=C\c2ccc(OCC#N)cc2)c1 ZINC000492267268 1035561861 /nfs/dbraw/zinc/56/18/61/1035561861.db2.gz DWCQRZHDFCWPAS-TWGQIWQCSA-N 0 3 349.434 3.611 20 30 EHEDHN C#CCN(C(=O)N[C@@H](C)c1ccc2ccccc2c1)C1CCN(C)CC1 ZINC000913886730 1035609270 /nfs/dbraw/zinc/60/92/70/1035609270.db2.gz KGIVHKCBCOVWLO-KRWDZBQOSA-N 0 3 349.478 3.640 20 30 EHEDHN CCN(Cc1ccc(-n2cncn2)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000535080738 1036007404 /nfs/dbraw/zinc/00/74/04/1036007404.db2.gz GDHQKFWKXSZFSG-HNNXBMFYSA-N 0 3 349.413 3.861 20 30 EHEDHN COC(=O)c1cccc(CN2C[C@@H](c3ccccc3)C[C@H]2C)c1C#N ZINC000535203908 1036157155 /nfs/dbraw/zinc/15/71/55/1036157155.db2.gz BAQNMEHYRQGAPJ-QAPCUYQASA-N 0 3 334.419 3.723 20 30 EHEDHN CCN(CCOc1ccccc1OC)Cc1ccc(C#N)c(F)c1 ZINC000595888905 1036795039 /nfs/dbraw/zinc/79/50/39/1036795039.db2.gz VJZMRGXFPTZKIC-UHFFFAOYSA-N 0 3 328.387 3.607 20 30 EHEDHN CC[C@H](C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)N(C)C ZINC000542059492 1037022075 /nfs/dbraw/zinc/02/20/75/1037022075.db2.gz NUHUCSNLXRYJJJ-FOIQADDNSA-N 0 3 335.451 3.743 20 30 EHEDHN C[C@H](c1cccc2ccccc21)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000064140308 1037033622 /nfs/dbraw/zinc/03/36/22/1037033622.db2.gz XOILNJPJYUQSAN-QGZVFWFLSA-N 0 3 342.446 3.990 20 30 EHEDHN Cc1cc(CNCCOc2ccc(C#N)cc2)c(OC(F)F)cc1C ZINC000462759697 1037375642 /nfs/dbraw/zinc/37/56/42/1037375642.db2.gz HWPZVLIUNWLVQU-UHFFFAOYSA-N 0 3 346.377 3.945 20 30 EHEDHN C=CCN(CCc1ccco1)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000491393290 1037437079 /nfs/dbraw/zinc/43/70/79/1037437079.db2.gz CRKYFVFWPHMKCQ-UHFFFAOYSA-N 0 3 340.467 3.896 20 30 EHEDHN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000573320917 1037464667 /nfs/dbraw/zinc/46/46/67/1037464667.db2.gz RWJDRUSEBCYEKG-GOSISDBHSA-N 0 3 341.499 3.828 20 30 EHEDHN CCCN(C)[C@@H](CNCc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000352887046 1037496726 /nfs/dbraw/zinc/49/67/26/1037496726.db2.gz FVRJTWFTSNGYLG-INIZCTEOSA-N 0 3 348.903 3.841 20 30 EHEDHN C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000177541248 1037588457 /nfs/dbraw/zinc/58/84/57/1037588457.db2.gz JTCUECVYVAHFLJ-RXVVDRJESA-N 0 3 347.462 3.811 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)c(F)c1 ZINC000271908213 1037690427 /nfs/dbraw/zinc/69/04/27/1037690427.db2.gz CVUULZFQJDCETD-STQMWFEESA-N 0 3 326.371 3.880 20 30 EHEDHN N#Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(F)c1 ZINC000463080348 1037725461 /nfs/dbraw/zinc/72/54/61/1037725461.db2.gz XOEPWKTXMDIDPN-OALUTQOASA-N 0 3 335.426 3.623 20 30 EHEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000540329365 1037830820 /nfs/dbraw/zinc/83/08/20/1037830820.db2.gz MYQZXPDURAKFCD-KQNFGGRRSA-N 0 3 341.499 3.965 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000494219052 1037904645 /nfs/dbraw/zinc/90/46/45/1037904645.db2.gz HABGIDQEOOPREM-HOTGVXAUSA-N 0 3 333.501 3.635 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(C(C)C)cc2)CC1 ZINC000592291766 1037909021 /nfs/dbraw/zinc/90/90/21/1037909021.db2.gz SQUFYGHMBSWBRB-UHFFFAOYSA-N 0 3 343.515 3.692 20 30 EHEDHN C[C@@H]1CC2(CN1Cc1cc(C#N)ccc1Br)CCOCC2 ZINC000592184687 1037930765 /nfs/dbraw/zinc/93/07/65/1037930765.db2.gz SJSBJYUMJLXIHJ-CYBMUJFWSA-N 0 3 349.272 3.712 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000540433581 1037953748 /nfs/dbraw/zinc/95/37/48/1037953748.db2.gz WJCJCCAVJHFSOZ-PZJWPPBQSA-N 0 3 341.499 3.952 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)CC(C)C)CC1 ZINC000592524141 1038005377 /nfs/dbraw/zinc/00/53/77/1038005377.db2.gz GRZICZMVRMQLFW-UHFFFAOYSA-N 0 3 329.488 3.505 20 30 EHEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)o1 ZINC000130129198 1038087180 /nfs/dbraw/zinc/08/71/80/1038087180.db2.gz UTMLRJHGGCOHJH-LBPRGKRZSA-N 0 3 334.734 3.650 20 30 EHEDHN CCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC(C)(C)C ZINC000463373331 1038091136 /nfs/dbraw/zinc/09/11/36/1038091136.db2.gz AHDCVJCDNBAWTI-UHFFFAOYSA-N 0 3 335.879 3.955 20 30 EHEDHN CC(C)N(C(=O)CCCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592693930 1038101031 /nfs/dbraw/zinc/10/10/31/1038101031.db2.gz BYICCPLTGGGZDR-HXUWFJFHSA-N 0 3 341.499 3.972 20 30 EHEDHN C[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000539243176 1038748930 /nfs/dbraw/zinc/74/89/30/1038748930.db2.gz JYQPNEKAKUXXLL-INIZCTEOSA-N 0 3 343.430 3.678 20 30 EHEDHN COc1cccc(F)c1[C@H](C)NCCCOc1cccc(C#N)c1 ZINC000539358062 1038800640 /nfs/dbraw/zinc/80/06/40/1038800640.db2.gz NZRNNFVGEBCMPC-AWEZNQCLSA-N 0 3 328.387 3.826 20 30 EHEDHN Cc1cc(CN2CCC(NC(=O)Nc3ccccc3)CC2)ccc1C#N ZINC000488232206 1038979920 /nfs/dbraw/zinc/97/99/20/1038979920.db2.gz OGVGMHLTPBEETK-UHFFFAOYSA-N 0 3 348.450 3.653 20 30 EHEDHN CCc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2)N(C)C)cc1 ZINC000096704633 1039582869 /nfs/dbraw/zinc/58/28/69/1039582869.db2.gz IIDDGYCCNAFKGA-LJQANCHMSA-N 0 3 336.439 3.545 20 30 EHEDHN C[C@H](C(=O)N(CCN(C)C)CC1CCCCC1)c1cccc(C#N)c1 ZINC000485890261 1039677442 /nfs/dbraw/zinc/67/74/42/1039677442.db2.gz RVZKQXSQGHGHLM-KRWDZBQOSA-N 0 3 341.499 3.632 20 30 EHEDHN C[C@@H](CN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000489206314 1039729003 /nfs/dbraw/zinc/72/90/03/1039729003.db2.gz OJYYLKQBGMMMQP-UWJYYQICSA-N 0 3 347.462 3.789 20 30 EHEDHN C=CCCC[C@H](N)C(=O)Nc1nc(-c2cc(F)ccc2OC)cs1 ZINC000912380323 1039841368 /nfs/dbraw/zinc/84/13/68/1039841368.db2.gz ZKXTVLPCEGJYKP-ZDUSSCGKSA-N 0 3 349.431 3.580 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)c1 ZINC000907146450 1039944913 /nfs/dbraw/zinc/94/49/13/1039944913.db2.gz LLDXAKRTPRQTRL-MKJPBZQASA-N 0 3 325.456 3.715 20 30 EHEDHN C=CCCC[C@@H](C(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000907281389 1039996725 /nfs/dbraw/zinc/99/67/25/1039996725.db2.gz HYGZFBLPLFRYQT-YLJYHZDGSA-N 0 3 326.484 3.893 20 30 EHEDHN CN(CCSc1c(C#N)nnc2ccccc21)Cc1ccccc1 ZINC000432917918 1040174864 /nfs/dbraw/zinc/17/48/64/1040174864.db2.gz MJHJIHNODIDNBZ-UHFFFAOYSA-N 0 3 334.448 3.726 20 30 EHEDHN N#CCOc1ccc(CNCc2ccc(Br)c(F)c2)cc1 ZINC000178374253 1040208185 /nfs/dbraw/zinc/20/81/85/1040208185.db2.gz PMWPEYVUPGDMLW-UHFFFAOYSA-N 0 3 349.203 3.780 20 30 EHEDHN COc1cccc(N2CC[C@H](N[C@@H](C)c3ccc(C#N)cc3F)C2)c1 ZINC000512612254 1040271490 /nfs/dbraw/zinc/27/14/90/1040271490.db2.gz OCCQWYLZVOFZJQ-HOCLYGCPSA-N 0 3 339.414 3.635 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000660310874 1040314268 /nfs/dbraw/zinc/31/42/68/1040314268.db2.gz BTXVWDNEOYTBLC-ZCNNSNEGSA-N 0 3 339.483 3.716 20 30 EHEDHN N#Cc1ccccc1N1CCCN(CCc2ccc(F)c(F)c2)CC1 ZINC000490092800 1040353230 /nfs/dbraw/zinc/35/32/30/1040353230.db2.gz JABYLGPWWWADMT-UHFFFAOYSA-N 0 3 341.405 3.591 20 30 EHEDHN CC(C)(C)CNC(=O)C(C)(C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614176769 1040385128 /nfs/dbraw/zinc/38/51/28/1040385128.db2.gz FPFRSEDZNKDJPU-UHFFFAOYSA-N 0 3 329.488 3.518 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)c2cccc(C#N)c2C)N2CCCC2)cc1 ZINC000512651488 1040419203 /nfs/dbraw/zinc/41/92/03/1040419203.db2.gz VZYYBIFIWOECDV-NRFANRHFSA-N 0 3 347.462 3.742 20 30 EHEDHN COc1ccc(O[C@@H](C)CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512665906 1040460324 /nfs/dbraw/zinc/46/03/24/1040460324.db2.gz IALJDXTYPVOSMK-UONOGXRCSA-N 0 3 328.387 3.824 20 30 EHEDHN COc1cccc([C@H](CN[C@H](C)c2ccc(C#N)cc2F)N(C)C)c1 ZINC000512669251 1040468424 /nfs/dbraw/zinc/46/84/24/1040468424.db2.gz ZLABJHIPVNTQPY-VLIAUNLRSA-N 0 3 341.430 3.659 20 30 EHEDHN COc1cccc([C@@H](CN[C@H](C)c2ccc(C#N)cc2F)N(C)C)c1 ZINC000512669248 1040468493 /nfs/dbraw/zinc/46/84/93/1040468493.db2.gz ZLABJHIPVNTQPY-JLTOFOAXSA-N 0 3 341.430 3.659 20 30 EHEDHN C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000487197937 1040786255 /nfs/dbraw/zinc/78/62/55/1040786255.db2.gz GLKROFYIIUZHEW-YYWHXJBOSA-N 0 3 349.478 3.567 20 30 EHEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)cn1 ZINC000092748014 1040958727 /nfs/dbraw/zinc/95/87/27/1040958727.db2.gz JAXHBAFXAGPCDQ-CJNGLKHVSA-N 0 3 342.393 3.551 20 30 EHEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)cn1 ZINC000092748008 1040970598 /nfs/dbraw/zinc/97/05/98/1040970598.db2.gz JAXHBAFXAGPCDQ-XJKSGUPXSA-N 0 3 342.393 3.551 20 30 EHEDHN C=CC[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000487604743 1040984556 /nfs/dbraw/zinc/98/45/56/1040984556.db2.gz ZZXLIISIUADJMN-LEWJYISDSA-N 0 3 334.463 3.737 20 30 EHEDHN CCc1c(C)sc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1C#N ZINC000571105177 1041184623 /nfs/dbraw/zinc/18/46/23/1041184623.db2.gz MEZNGSUKNIXNPF-OAHLLOKOSA-N 0 3 348.431 3.683 20 30 EHEDHN Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000509853320 1041208306 /nfs/dbraw/zinc/20/83/06/1041208306.db2.gz LWHHVPLAXDLYQL-FQEVSTJZSA-N 0 3 347.462 3.651 20 30 EHEDHN CCC[C@@H]1CCC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC001125943359 1041245958 /nfs/dbraw/zinc/24/59/58/1041245958.db2.gz YPLJSILWIDQSFV-WOJBJXKFSA-N 0 3 341.499 3.665 20 30 EHEDHN N#Cc1cccc(Oc2ccc(NC(=O)C34CCCN3CCC4)cc2)c1 ZINC001126053061 1042027431 /nfs/dbraw/zinc/02/74/31/1042027431.db2.gz GRLJEDLEWNBUID-UHFFFAOYSA-N 0 3 347.418 3.917 20 30 EHEDHN CCCSCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000125598937 1042414097 /nfs/dbraw/zinc/41/40/97/1042414097.db2.gz BOJHBGCKZCTOBX-LBPRGKRZSA-N 0 3 345.251 3.784 20 30 EHEDHN C=C1CCC(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001126245280 1042754408 /nfs/dbraw/zinc/75/44/08/1042754408.db2.gz YDJMHYDXOIKUTB-SFHVURJKSA-N 0 3 326.484 3.856 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000067575357 1042782316 /nfs/dbraw/zinc/78/23/16/1042782316.db2.gz KVMDBEXQOJJPLA-UHFFFAOYSA-N 0 3 338.455 3.639 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000165422245 1042815437 /nfs/dbraw/zinc/81/54/37/1042815437.db2.gz QVIXHIMTGXDMJJ-HUUCEWRRSA-N 0 3 337.423 3.601 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000171978147 1126772473 /nfs/dbraw/zinc/77/24/73/1126772473.db2.gz IZMJIECQEPGACT-LJQANCHMSA-N 0 3 329.488 3.642 20 30 EHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000763948129 1126952986 /nfs/dbraw/zinc/95/29/86/1126952986.db2.gz PXQPHKGYLPPCIT-RISCZKNCSA-N 0 3 335.319 3.716 20 30 EHEDHN C=CC(C)(C)CC[NH2+]Cc1ccc(OC)c([O-])c1Br ZINC000623593196 1126992513 /nfs/dbraw/zinc/99/25/13/1126992513.db2.gz YHBQJMUXJXRFOQ-UHFFFAOYSA-N 0 3 328.250 3.855 20 30 EHEDHN C=CC(C)(C)CCNCc1ccc(OC)c(O)c1Br ZINC000623593196 1126992515 /nfs/dbraw/zinc/99/25/15/1126992515.db2.gz YHBQJMUXJXRFOQ-UHFFFAOYSA-N 0 3 328.250 3.855 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000181005918 1127263854 /nfs/dbraw/zinc/26/38/54/1127263854.db2.gz VRLAFYOFIKIULU-YWZLYKJASA-N 0 3 345.462 3.655 20 30 EHEDHN N#Cc1cnc2ccccc2c1NC[C@@H](c1ccco1)N1CCCC1 ZINC000301327189 1128584684 /nfs/dbraw/zinc/58/46/84/1128584684.db2.gz BMMZEABUTJMFBV-SFHVURJKSA-N 0 3 332.407 3.948 20 30 EHEDHN Cc1cc(C)c2ncc(C#N)c(N3CCN(C4CCCC4)CC3)c2c1 ZINC000301365505 1128587660 /nfs/dbraw/zinc/58/76/60/1128587660.db2.gz SCYYUGFUVFCPIW-UHFFFAOYSA-N 0 3 334.467 3.788 20 30 EHEDHN N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000302189731 1128624725 /nfs/dbraw/zinc/62/47/25/1128624725.db2.gz XYWVSZGQKAOSQN-QGZVFWFLSA-N 0 3 336.395 3.543 20 30 EHEDHN COc1cccc([C@H](CNc2c(C#N)cccc2C#N)N2CCCC2)c1 ZINC000302862940 1128652247 /nfs/dbraw/zinc/65/22/47/1128652247.db2.gz WLCPLAYOKDWEGF-FQEVSTJZSA-N 0 3 346.434 3.688 20 30 EHEDHN COc1ccc(CN2CCC(CC#N)CC2)cc1OCCCC#N ZINC000542853544 1128691656 /nfs/dbraw/zinc/69/16/56/1128691656.db2.gz IXCRBILVMNXGDC-UHFFFAOYSA-N 0 3 327.428 3.503 20 30 EHEDHN C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000075755730 1128878960 /nfs/dbraw/zinc/87/89/60/1128878960.db2.gz NOKVSLRVTFMQPS-LBPRGKRZSA-N 0 3 328.799 3.834 20 30 EHEDHN Cn1cnc2cc(NC3CCN(Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000272209447 1120569326 /nfs/dbraw/zinc/56/93/26/1120569326.db2.gz CVDOEUGNUNCLMM-UHFFFAOYSA-N 0 3 345.450 3.521 20 30 EHEDHN N#Cc1cc2c(nc1N[C@H]1CCCN(Cc3ccccc3)C1)CCC2 ZINC000310468792 1128945827 /nfs/dbraw/zinc/94/58/27/1128945827.db2.gz LDUFMLOXFXPHQC-IBGZPJMESA-N 0 3 332.451 3.518 20 30 EHEDHN CC[C@H](C/N=C\c1cccc(OC)c1O)N1CCc2ccccc2C1 ZINC000914701256 1120955399 /nfs/dbraw/zinc/95/53/99/1120955399.db2.gz CKPQAFBLDYKLML-UUMRFZBWSA-N 0 3 338.451 3.657 20 30 EHEDHN CC[C@@H](C/N=C\c1c(O)cccc1OC)N1CCc2ccccc2C1 ZINC000914701900 1120956056 /nfs/dbraw/zinc/95/60/56/1120956056.db2.gz RCHGNPXLVYNZAU-GFHXCNCHSA-N 0 3 338.451 3.657 20 30 EHEDHN [O-]c1ccc(Cl)cc1/C=N/CCC[N@@H+]1CCc2ccccc2C1 ZINC000914702130 1120956276 /nfs/dbraw/zinc/95/62/76/1120956276.db2.gz XDDFGLCIDQTDKS-FYJGNVAPSA-N 0 3 328.843 3.913 20 30 EHEDHN [O-]c1ccc(Cl)cc1/C=N/CCC[N@H+]1CCc2ccccc2C1 ZINC000914702130 1120956278 /nfs/dbraw/zinc/95/62/78/1120956278.db2.gz XDDFGLCIDQTDKS-FYJGNVAPSA-N 0 3 328.843 3.913 20 30 EHEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(N2CCOCC2)c1 ZINC000272261375 1121135252 /nfs/dbraw/zinc/13/52/52/1121135252.db2.gz LXODSKGRXPBHID-QGZVFWFLSA-N 0 3 347.462 3.735 20 30 EHEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc(F)cc3F)C2)c(F)c1 ZINC000237795285 1121494622 /nfs/dbraw/zinc/49/46/22/1121494622.db2.gz PBRZFXUETZUARF-INIZCTEOSA-N 0 3 345.368 3.734 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000171722722 1121513263 /nfs/dbraw/zinc/51/32/63/1121513263.db2.gz HIIPSMLHUCXCCS-UHFFFAOYSA-N 0 3 331.218 3.513 20 30 EHEDHN Cc1cc(C)cc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000107071713 1121893932 /nfs/dbraw/zinc/89/39/32/1121893932.db2.gz TUNNAHMSBZALCC-IRXDYDNUSA-N 0 3 327.472 3.685 20 30 EHEDHN CCCCNN=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1 ZINC000915970003 1121999535 /nfs/dbraw/zinc/99/95/35/1121999535.db2.gz SKUFRFKZXLHNHX-UHFFFAOYSA-N 0 3 325.460 3.505 20 30 EHEDHN Cc1cc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)ccc1C#N ZINC000488160822 1122247500 /nfs/dbraw/zinc/24/75/00/1122247500.db2.gz UBZWSRPHSMRQSB-UHFFFAOYSA-N 0 3 346.430 3.927 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)CCSc1ccc(C)c(C)c1 ZINC000916877468 1122378060 /nfs/dbraw/zinc/37/80/60/1122378060.db2.gz FTGZMEJDLRUGBJ-QGZVFWFLSA-N 0 3 346.496 3.801 20 30 EHEDHN C=CCN1CC[C@H](N[C@H](c2cccc(Cl)c2)C2CCCC2)C1=O ZINC000499607832 1129075255 /nfs/dbraw/zinc/07/52/55/1129075255.db2.gz BYYHKKYSJWOJJD-ROUUACIJSA-N 0 3 332.875 3.948 20 30 EHEDHN CC(C)(CNCc1cc(C#N)ccc1Br)C(F)(F)F ZINC000922108551 1129111314 /nfs/dbraw/zinc/11/13/14/1129111314.db2.gz SIEFQDDKVKNONC-UHFFFAOYSA-N 0 3 335.167 3.999 20 30 EHEDHN CCO[C@H](CC)C(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000920110620 1123294510 /nfs/dbraw/zinc/29/45/10/1123294510.db2.gz FEZUEVFWHHWTHY-IAOVAPTHSA-N 0 3 330.428 3.663 20 30 EHEDHN C#CCCN(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000920415730 1123366149 /nfs/dbraw/zinc/36/61/49/1123366149.db2.gz FXLSJYCKXYHVGF-UHFFFAOYSA-N 0 3 343.854 3.737 20 30 EHEDHN CC1(C)CC(/N=C\c2cc(Br)ccc2[O-])CC(C)(C)[NH2+]1 ZINC000920945943 1123442028 /nfs/dbraw/zinc/44/20/28/1123442028.db2.gz LGMHREFLXXCBIA-ZDLGFXPLSA-N 0 3 339.277 3.883 20 30 EHEDHN C=C(C)COCCNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000134504294 1123528375 /nfs/dbraw/zinc/52/83/75/1123528375.db2.gz OCDFFWJLHLBZQW-UHFFFAOYSA-N 0 3 346.858 3.996 20 30 EHEDHN Cc1cccc(CCCNCc2cc(C#N)ccc2Br)n1 ZINC000922123573 1129130189 /nfs/dbraw/zinc/13/01/89/1129130189.db2.gz YTDGZYALEKEGOQ-UHFFFAOYSA-N 0 3 344.256 3.747 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1)c1ccc(Cl)s1 ZINC000175107025 1123601526 /nfs/dbraw/zinc/60/15/26/1123601526.db2.gz INSLOPGKFSNTCO-CMPLNLGQSA-N 0 3 332.812 3.853 20 30 EHEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000135470061 1123619676 /nfs/dbraw/zinc/61/96/76/1123619676.db2.gz VRJKCCOEFXGECG-HXUWFJFHSA-N 0 3 329.488 3.678 20 30 EHEDHN CC1CCN([C@@H](CNc2ncccc2C#N)c2cccs2)CC1 ZINC000067948572 1123791632 /nfs/dbraw/zinc/79/16/32/1123791632.db2.gz PUUOMEXQYWCYEE-INIZCTEOSA-N 0 3 326.469 3.900 20 30 EHEDHN C[C@H]1CN(c2ccc(Cl)c(C#N)n2)[C@@H](C)CN1Cc1ccccc1 ZINC000499651056 1129157996 /nfs/dbraw/zinc/15/79/96/1129157996.db2.gz AAVSBZMZGPKTDW-GJZGRUSLSA-N 0 3 340.858 3.706 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000245937788 1123985615 /nfs/dbraw/zinc/98/56/15/1123985615.db2.gz UHVVWNMQPNYPFV-JXIYXGQPSA-N 0 3 347.890 3.681 20 30 EHEDHN COC[C@@H](NCCCOc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000181432001 1124824102 /nfs/dbraw/zinc/82/41/02/1124824102.db2.gz BMGQUWDCPGSKSO-LJQANCHMSA-N 0 3 346.377 3.583 20 30 EHEDHN CC[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000735311801 1131334321 /nfs/dbraw/zinc/33/43/21/1131334321.db2.gz VTIXUYSWOAMFNE-HUUCEWRRSA-N 0 3 341.480 3.985 20 30 EHEDHN C=CCc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc(OC)c1O ZINC000618741762 1125178652 /nfs/dbraw/zinc/17/86/52/1125178652.db2.gz MMRQJPAXIOMLII-IBGZPJMESA-N 0 3 334.419 3.778 20 30 EHEDHN C=CCCCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000735492487 1131353320 /nfs/dbraw/zinc/35/33/20/1131353320.db2.gz ZDRBNQOMRYQJQE-UHFFFAOYSA-N 0 3 328.378 3.669 20 30 EHEDHN C=CCCCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000735532102 1131355357 /nfs/dbraw/zinc/35/53/57/1131355357.db2.gz IZPDKAAUNXNIQC-GFCCVEGCSA-N 0 3 342.222 3.856 20 30 EHEDHN C=CCCCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000735533607 1131356542 /nfs/dbraw/zinc/35/65/42/1131356542.db2.gz YVIIJLDJBXYDSD-GFCCVEGCSA-N 0 3 342.222 3.856 20 30 EHEDHN N#Cc1cccc(CNCc2cccc(OCc3ccccn3)c2)c1 ZINC000066971959 1129230259 /nfs/dbraw/zinc/23/02/59/1129230259.db2.gz SJURTFKRQICMIT-UHFFFAOYSA-N 0 3 329.403 3.822 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000466375990 1129409202 /nfs/dbraw/zinc/40/92/02/1129409202.db2.gz BNJCFAMSTCCGQJ-RBUKOAKNSA-N 0 3 329.488 3.647 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000466375989 1129409221 /nfs/dbraw/zinc/40/92/21/1129409221.db2.gz BNJCFAMSTCCGQJ-OALUTQOASA-N 0 3 329.488 3.647 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000069606953 1129464743 /nfs/dbraw/zinc/46/47/43/1129464743.db2.gz PDAYKCQREGHIQF-LJQANCHMSA-N 0 3 348.450 3.653 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC/C=C/CC ZINC000466479336 1129483047 /nfs/dbraw/zinc/48/30/47/1129483047.db2.gz UMYVNQHMQISFLX-AATRIKPKSA-N 0 3 334.533 3.941 20 30 EHEDHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(C#N)o1 ZINC000092402816 1129544843 /nfs/dbraw/zinc/54/48/43/1129544843.db2.gz PARCILSPCXLUPH-UHFFFAOYSA-N 0 3 338.386 3.745 20 30 EHEDHN C[C@@H]1CCN(Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000093811206 1129604291 /nfs/dbraw/zinc/60/42/91/1129604291.db2.gz LOYVTXFKZGCGHD-MRXNPFEDSA-N 0 3 325.481 3.716 20 30 EHEDHN CCCCn1ncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1CC ZINC000429115851 1129822609 /nfs/dbraw/zinc/82/26/09/1129822609.db2.gz PRZNCQXQIHHDIM-AWEZNQCLSA-N 0 3 349.438 3.622 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000171722685 1130082169 /nfs/dbraw/zinc/08/21/69/1130082169.db2.gz AYDKPBFHTDCEJS-UHFFFAOYSA-N 0 3 335.451 3.810 20 30 EHEDHN CC(C)[C@@H](NCc1cccc(OCCCC#N)c1)c1cnn(C)c1 ZINC000922893895 1130203062 /nfs/dbraw/zinc/20/30/62/1130203062.db2.gz JNWKPUHZBXRIDT-LJQANCHMSA-N 0 3 326.444 3.590 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)o1 ZINC000174377051 1130353903 /nfs/dbraw/zinc/35/39/03/1130353903.db2.gz PJEUKYLJRXCIED-OAHLLOKOSA-N 0 3 347.821 3.698 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([O-])c1 ZINC000741463317 1131605425 /nfs/dbraw/zinc/60/54/25/1131605425.db2.gz CZQZUPBJNPADET-RHIPEFJMSA-N 0 3 330.472 3.861 20 30 EHEDHN C[C@H]1CC(=NN=C(C(=O)c2ccccc2)c2ccccc2)CCN1C ZINC000741452090 1131607439 /nfs/dbraw/zinc/60/74/39/1131607439.db2.gz XEPAHVUJXKSIEV-INIZCTEOSA-N 0 3 333.435 3.829 20 30 EHEDHN C[C@H](CCCC#N)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001172491319 1131757632 /nfs/dbraw/zinc/75/76/32/1131757632.db2.gz DQMVYFUOIFYOMX-CQSZACIVSA-N 0 3 325.378 3.910 20 30 EHEDHN C[C@@H](Cc1c(F)cccc1Cl)NC(=N)c1ccc(Cl)cn1 ZINC001172845081 1131868187 /nfs/dbraw/zinc/86/81/87/1131868187.db2.gz KWJZGWKBHCAFLE-VIFPVBQESA-N 0 3 326.202 3.864 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H](C)c1ccco1 ZINC000744029904 1132006745 /nfs/dbraw/zinc/00/67/45/1132006745.db2.gz WVHFTLRZBLWSTN-CZUORRHYSA-N 0 3 338.407 3.855 20 30 EHEDHN C[C@@H]1CC[C@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744428351 1132095451 /nfs/dbraw/zinc/09/54/51/1132095451.db2.gz IXBITMXTUBGSCJ-HZSPNIEDSA-N 0 3 327.453 3.593 20 30 EHEDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1CN(C1CCC(C)(C#N)CC1)C2 ZINC001173596997 1132100749 /nfs/dbraw/zinc/10/07/49/1132100749.db2.gz CZUXADPDKCTHSU-PAVWBUCMSA-N 0 3 347.503 3.933 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1ccc(OCC#N)cc1 ZINC000766964186 1132923543 /nfs/dbraw/zinc/92/35/43/1132923543.db2.gz PLTBQRDFXCUPJD-RBUKOAKNSA-N 0 3 349.478 3.684 20 30 EHEDHN COc1ccc(C(C)=NNc2cccc(C#N)c2)cc1CN1CCCC1 ZINC000767362090 1132989653 /nfs/dbraw/zinc/98/96/53/1132989653.db2.gz MDSVWSXQEOODEY-UHFFFAOYSA-N 0 3 348.450 3.999 20 30 EHEDHN Cc1cc(CNCc2ccc(N3CCCCC3=O)cc2)ccc1C#N ZINC000767683477 1133038578 /nfs/dbraw/zinc/03/85/78/1133038578.db2.gz XIVRGMAUFUEJLI-UHFFFAOYSA-N 0 3 333.435 3.673 20 30 EHEDHN Cc1cc(C)cc([C@@H](O)CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000767726915 1133043993 /nfs/dbraw/zinc/04/39/93/1133043993.db2.gz BPCWCGYHSGAMHQ-QFIPXVFZSA-N 0 3 332.447 3.998 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(Cl)cc(Cl)n1 ZINC001177905107 1133111238 /nfs/dbraw/zinc/11/12/38/1133111238.db2.gz WBIZWGYEBYVYMM-MRVPVSSYSA-N 0 3 326.208 3.771 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CC[C@H](C)SC ZINC000773768288 1133194598 /nfs/dbraw/zinc/19/45/98/1133194598.db2.gz FFMYQPNKOBGBIH-XJKSGUPXSA-N 0 3 346.496 3.990 20 30 EHEDHN N#Cc1ccc(OC2CCN(Cc3ccc4c(c3)COC4)CC2)cc1 ZINC000769325817 1133262816 /nfs/dbraw/zinc/26/28/16/1133262816.db2.gz BNIRMYJUQQENFS-UHFFFAOYSA-N 0 3 334.419 3.632 20 30 EHEDHN COc1ccc(C(C)=NNCC(F)(F)F)cc1CN1CCCCC1 ZINC000769813447 1133350893 /nfs/dbraw/zinc/35/08/93/1133350893.db2.gz FWDTVOYCDHRVGB-UHFFFAOYSA-N 0 3 343.393 3.557 20 30 EHEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ccc(Cl)cc1C#N ZINC000772243866 1133665226 /nfs/dbraw/zinc/66/52/26/1133665226.db2.gz JOAKJMXZWBVBSU-UHFFFAOYSA-N 0 3 334.847 3.908 20 30 EHEDHN CC(C)NC(=O)OC[C@@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC001170050782 1133754852 /nfs/dbraw/zinc/75/48/52/1133754852.db2.gz DNQLBKLOZMGHAR-KRWDZBQOSA-N 0 3 335.492 3.840 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)C[C@H](C)c1ccncc1)c1ccccc1 ZINC000787032697 1133940977 /nfs/dbraw/zinc/94/09/77/1133940977.db2.gz RRBNONQERSHKRR-SNRMKQJTSA-N 0 3 349.434 3.552 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC000787068757 1133945403 /nfs/dbraw/zinc/94/54/03/1133945403.db2.gz ZIMWTWWPLBLMQI-KRWDZBQOSA-N 0 3 326.440 3.570 20 30 EHEDHN C#CCC1(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CCCCC1 ZINC000788180133 1134087625 /nfs/dbraw/zinc/08/76/25/1134087625.db2.gz UZCDGSBJEDJFBF-IBGZPJMESA-N 0 3 326.484 3.688 20 30 EHEDHN COc1cccc(/C=N/C[C@H](c2ccc(Cl)cc2)N(C)C)c1O ZINC000746817131 1134273367 /nfs/dbraw/zinc/27/33/67/1134273367.db2.gz WOSUVCKUUPIGSO-MBTVCVBTSA-N 0 3 332.831 3.776 20 30 EHEDHN CC(C)[C@@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)N(C)C ZINC000789801179 1134336612 /nfs/dbraw/zinc/33/66/12/1134336612.db2.gz OJPLFYPJIXBFSG-FZMZJTMJSA-N 0 3 335.860 3.712 20 30 EHEDHN N#Cc1ccnc(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001193103302 1135101565 /nfs/dbraw/zinc/10/15/65/1135101565.db2.gz GNZHJZPPZDMCJU-OAHLLOKOSA-N 0 3 331.341 3.962 20 30 EHEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001193363474 1135131050 /nfs/dbraw/zinc/13/10/50/1135131050.db2.gz GAQASXMKUWGIGC-UHFFFAOYSA-N 0 3 348.446 3.590 20 30 EHEDHN CCOC(=O)N(C)C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000775592425 1135132919 /nfs/dbraw/zinc/13/29/19/1135132919.db2.gz TYHMHDJXTLVTBT-UHFFFAOYSA-N 0 3 343.471 3.540 20 30 EHEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1([C@@H]2CCCCO2)CCC1 ZINC001194250231 1135249929 /nfs/dbraw/zinc/24/99/29/1135249929.db2.gz BBZPSSGJOYRQGY-IBGZPJMESA-N 0 3 333.472 3.889 20 30 EHEDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775626988 1135350780 /nfs/dbraw/zinc/35/07/80/1135350780.db2.gz OYTNPCCBUCHLDH-OAHLLOKOSA-N 0 3 345.487 3.833 20 30 EHEDHN N#Cc1ccc(N2CC[C@H](N3CC[C@H](C4CCCCC4)C3)C2=O)cc1 ZINC001195894641 1135482008 /nfs/dbraw/zinc/48/20/08/1135482008.db2.gz WHIGXOXHMMOQKG-ICSRJNTNSA-N 0 3 337.467 3.566 20 30 EHEDHN C#CCN(C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C1CCCCC1 ZINC000807403500 1135542911 /nfs/dbraw/zinc/54/29/11/1135542911.db2.gz GKGGVLFZVFLUOB-PXNSSMCTSA-N 0 3 341.499 3.655 20 30 EHEDHN C#CCN(C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C1CCCCC1 ZINC000807403502 1135543047 /nfs/dbraw/zinc/54/30/47/1135543047.db2.gz GKGGVLFZVFLUOB-YLJYHZDGSA-N 0 3 341.499 3.655 20 30 EHEDHN COc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)c(C)c1OC ZINC000808387569 1135660967 /nfs/dbraw/zinc/66/09/67/1135660967.db2.gz RJPUPXGAYBMQJQ-OAHLLOKOSA-N 0 3 340.423 3.765 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]3CCC[C@@H]32)cc1C ZINC000747530969 1135745544 /nfs/dbraw/zinc/74/55/44/1135745544.db2.gz SETPJQZHWXWKFE-ICSRJNTNSA-N 0 3 339.483 3.815 20 30 EHEDHN C#CCN(C[C@H]1CC2(CO1)CCOCC2)[C@@H]1CCCc2ccccc21 ZINC001198105306 1135776580 /nfs/dbraw/zinc/77/65/80/1135776580.db2.gz WSPATRHWPANYNN-TZIWHRDSSA-N 0 3 339.479 3.585 20 30 EHEDHN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1ccc(C#N)cc1Cl ZINC001198229862 1135789243 /nfs/dbraw/zinc/78/92/43/1135789243.db2.gz NBWOLBPLDUBQTI-SFHVURJKSA-N 0 3 349.261 3.948 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(OCC(F)(F)F)c(OC)c2)cc1 ZINC000809604656 1135856310 /nfs/dbraw/zinc/85/63/10/1135856310.db2.gz NQUYQKAYGWGAHA-UHFFFAOYSA-N 0 3 349.352 3.907 20 30 EHEDHN C#Cc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1 ZINC000809594835 1135860040 /nfs/dbraw/zinc/86/00/40/1135860040.db2.gz BEORHIPBJVFQHT-MAUKXSAKSA-N 0 3 328.456 3.546 20 30 EHEDHN N#CCOc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000810144318 1135928058 /nfs/dbraw/zinc/92/80/58/1135928058.db2.gz VZEOTSWASGWVTO-UHFFFAOYSA-N 0 3 345.324 3.769 20 30 EHEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(N2CCCCC2=O)cc1 ZINC000810179282 1135934617 /nfs/dbraw/zinc/93/46/17/1135934617.db2.gz MBYAIIMNOSEMAL-CQSZACIVSA-N 0 3 339.464 3.987 20 30 EHEDHN CCCCCCCN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001201776939 1136065709 /nfs/dbraw/zinc/06/57/09/1136065709.db2.gz PPJVGVGWLUYYQB-GBESFXJTSA-N 0 3 332.488 3.910 20 30 EHEDHN Cn1cc(CNCc2cccc3c2CCC3)c(-c2ccc(C#N)cc2)n1 ZINC001201953912 1136078047 /nfs/dbraw/zinc/07/80/47/1136078047.db2.gz CAJCALBMUGTXQO-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN C[C@H]1C(N=Nc2ncnc3sccc32)CCN1Cc1ccccc1 ZINC000811635880 1136114501 /nfs/dbraw/zinc/11/45/01/1136114501.db2.gz PCKYAAFWMRKXGY-ZDUSSCGKSA-N 0 3 337.452 3.754 20 30 EHEDHN N#C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000776384874 1136172502 /nfs/dbraw/zinc/17/25/02/1136172502.db2.gz ANSBSAHOEKJDIG-FQEVSTJZSA-N 0 3 340.467 3.914 20 30 EHEDHN N#CC1(c2ccc(CNCc3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000850014529 1136199064 /nfs/dbraw/zinc/19/90/64/1136199064.db2.gz KXTJDOBDSBPOMH-UHFFFAOYSA-N 0 3 345.446 3.658 20 30 EHEDHN C=CC[C@H](NCc1ccc(O[C@H](C)COC)cc1)c1ccncc1 ZINC000850136666 1136213534 /nfs/dbraw/zinc/21/35/34/1136213534.db2.gz CDBFHUAPIWZDON-UZLBHIALSA-N 0 3 326.440 3.902 20 30 EHEDHN CC(C)(C)OC(=O)NC1(CNCc2ccc(C#N)cc2F)CCCC1 ZINC000850366455 1136241900 /nfs/dbraw/zinc/24/19/00/1136241900.db2.gz BUSWDPDIKCSGDV-UHFFFAOYSA-N 0 3 347.434 3.624 20 30 EHEDHN CO[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)C1CCCCC1 ZINC000850756315 1136300658 /nfs/dbraw/zinc/30/06/58/1136300658.db2.gz PEXATBBXGMGMFR-DOTOQJQBSA-N 0 3 348.830 3.583 20 30 EHEDHN CO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCCCC1 ZINC000851039060 1136331292 /nfs/dbraw/zinc/33/12/92/1136331292.db2.gz PZYLJINMNSHIRC-CZUORRHYSA-N 0 3 340.345 3.872 20 30 EHEDHN N#CC1(COC(=O)C2CC3(CC3)C2)CCN(Cc2ccccc2)CC1 ZINC000851110193 1136338400 /nfs/dbraw/zinc/33/84/00/1136338400.db2.gz YLTRBKVQOJRUMO-UHFFFAOYSA-N 0 3 338.451 3.526 20 30 EHEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851737639 1136403196 /nfs/dbraw/zinc/40/31/96/1136403196.db2.gz KAFQLIVJPTYVQJ-SFHVURJKSA-N 0 3 344.474 3.546 20 30 EHEDHN N#CCCC[C@H](NCc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC000814305341 1136435218 /nfs/dbraw/zinc/43/52/18/1136435218.db2.gz ZTXMFKASJWIUGU-IBGZPJMESA-N 0 3 331.423 3.792 20 30 EHEDHN C=C(Br)CN[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852732255 1136481666 /nfs/dbraw/zinc/48/16/66/1136481666.db2.gz SSYSIJHULYRTCG-UONOGXRCSA-N 0 3 332.669 3.896 20 30 EHEDHN CCN(CC)c1ccc(/C=N/[C@@H](C)C(=O)Nc2ccccc2)c(O)c1 ZINC000111998017 1136595339 /nfs/dbraw/zinc/59/53/39/1136595339.db2.gz ALOHIQKOVVXZBD-HBBMIWKISA-N 0 3 339.439 3.685 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000776728469 1136609140 /nfs/dbraw/zinc/60/91/40/1136609140.db2.gz GWXSCFXQDNCGKF-OLZOCXBDSA-N 0 3 337.398 3.994 20 30 EHEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(C(=O)OC)cc1 ZINC000815597563 1136616414 /nfs/dbraw/zinc/61/64/14/1136616414.db2.gz ZATBLXRDPGNFMG-GOSISDBHSA-N 0 3 338.407 3.594 20 30 EHEDHN C[C@H]1[C@H](OC(=O)c2ccc(C#N)cc2)CCCN1Cc1ccccc1 ZINC000816469299 1136719084 /nfs/dbraw/zinc/71/90/84/1136719084.db2.gz VRRJEXXMNLCQLG-OXJNMPFZSA-N 0 3 334.419 3.768 20 30 EHEDHN C[C@@H]1[C@@H](OC(=O)c2cccc(C#N)c2)CCCN1Cc1ccccc1 ZINC000816468586 1136720233 /nfs/dbraw/zinc/72/02/33/1136720233.db2.gz JVKIRBYAUQKZIJ-UZLBHIALSA-N 0 3 334.419 3.768 20 30 EHEDHN C[C@H]1[C@@H](OC(=O)c2cccc(CC#N)c2)CCCN1Cc1ccccc1 ZINC000816468984 1136720378 /nfs/dbraw/zinc/72/03/78/1136720378.db2.gz QGEMPVQXKXSBQB-UWJYYQICSA-N 0 3 348.446 3.963 20 30 EHEDHN CC(C)(C)SCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114620044 1136813832 /nfs/dbraw/zinc/81/38/32/1136813832.db2.gz GHZKRPOWBHYAEP-GFCCVEGCSA-N 0 3 331.466 3.913 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000818110477 1136859991 /nfs/dbraw/zinc/85/99/91/1136859991.db2.gz ZDIAXYLDYDIKIU-SECBINFHSA-N 0 3 333.791 3.614 20 30 EHEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1SCc1ccccc1 ZINC000818048434 1136860768 /nfs/dbraw/zinc/86/07/68/1136860768.db2.gz JWABXSJSSONHCA-INIZCTEOSA-N 0 3 339.464 3.939 20 30 EHEDHN Cc1ccc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)cc1C#N ZINC000859230168 1137009003 /nfs/dbraw/zinc/00/90/03/1137009003.db2.gz SDAVMXZKOIOYOV-OAHLLOKOSA-N 0 3 335.407 3.674 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CCC(F)(F)CC1 ZINC000860695245 1137073495 /nfs/dbraw/zinc/07/34/95/1137073495.db2.gz RSKLVVCBFCBZKV-MRXNPFEDSA-N 0 3 348.393 3.569 20 30 EHEDHN COc1ccc(Cl)cc1C(C)(C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000823497768 1137102757 /nfs/dbraw/zinc/10/27/57/1137102757.db2.gz OAOYHCYSLBNCPF-QGZVFWFLSA-N 0 3 344.842 3.779 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000824462824 1137140213 /nfs/dbraw/zinc/14/02/13/1137140213.db2.gz QNWGYZRSERNYGI-KBPBESRZSA-N 0 3 325.368 3.736 20 30 EHEDHN O=C(OCCC#Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000805887011 1137169603 /nfs/dbraw/zinc/16/96/03/1137169603.db2.gz PJSIMGNTHZMNDL-UHFFFAOYSA-N 0 3 347.458 3.884 20 30 EHEDHN N#Cc1ccccc1O[C@@H]1CCCN(Cc2ccc3c(c2)COC3)C1 ZINC001137028217 1137175525 /nfs/dbraw/zinc/17/55/25/1137175525.db2.gz FUPVNNXKYLDDSW-HXUWFJFHSA-N 0 3 334.419 3.632 20 30 EHEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(CCN(C)C)C1CCCCC1 ZINC001143964419 1137219554 /nfs/dbraw/zinc/21/95/54/1137219554.db2.gz GYJVXFDWDLSKJH-GOSISDBHSA-N 0 3 339.524 3.681 20 30 EHEDHN N#Cc1ccc(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC001144162881 1137246922 /nfs/dbraw/zinc/24/69/22/1137246922.db2.gz AVDZDRNOLIGGIE-HNNXBMFYSA-N 0 3 331.341 3.962 20 30 EHEDHN N#Cc1ccc(C2CCN(Cc3n[nH]c4ccc(F)cc43)CC2)cc1 ZINC001144201032 1137250521 /nfs/dbraw/zinc/25/05/21/1137250521.db2.gz UPCZELMGOAFHER-UHFFFAOYSA-N 0 3 334.398 3.953 20 30 EHEDHN Cc1cc(F)ccc1N1CCN([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171229709 1137353963 /nfs/dbraw/zinc/35/39/63/1137353963.db2.gz QHNJEKOGGNZOBP-QGZVFWFLSA-N 0 3 337.442 3.759 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@H](C)c2ccccc2)cc1C ZINC000121210048 1137376630 /nfs/dbraw/zinc/37/66/30/1137376630.db2.gz VIHFPEFMZILPNV-GOSISDBHSA-N 0 3 335.451 3.901 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC(C)(C)C)cc1OC ZINC000103639014 1137427353 /nfs/dbraw/zinc/42/73/53/1137427353.db2.gz CBGQMJQPGZHQIP-CQSZACIVSA-N 0 3 346.427 3.568 20 30 EHEDHN C[C@@H](C#N)c1cccc(C(=O)N(C)CCN(C)Cc2ccccc2)c1 ZINC001148614988 1137429488 /nfs/dbraw/zinc/42/94/88/1137429488.db2.gz HNPXSRIQURTNTQ-KRWDZBQOSA-N 0 3 335.451 3.518 20 30 EHEDHN C#CCSCCN[C@@H]1CCc2c1c(Br)ccc2F ZINC000773010915 1137458933 /nfs/dbraw/zinc/45/89/33/1137458933.db2.gz OHRTXZKEYARIOI-CYBMUJFWSA-N 0 3 328.250 3.532 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000870117042 1137477653 /nfs/dbraw/zinc/47/76/53/1137477653.db2.gz UEENKBLVOFAVRH-QXULXFAOSA-N 0 3 349.434 3.535 20 30 EHEDHN C[C@@H](CCc1ccc(F)cc1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000870135729 1137478635 /nfs/dbraw/zinc/47/86/35/1137478635.db2.gz DNCDUXYRWZZFQP-KSSFIOAISA-N 0 3 338.382 3.742 20 30 EHEDHN C=CC[C@@H]1CCCN(CC(=O)NCCc2c(C)cc(C)cc2C)C1 ZINC001171847010 1137515662 /nfs/dbraw/zinc/51/56/62/1137515662.db2.gz GHTBJRSGJNXTJC-LJQANCHMSA-N 0 3 328.500 3.559 20 30 EHEDHN Cc1ccc(CN2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172305202 1137545317 /nfs/dbraw/zinc/54/53/17/1137545317.db2.gz CINYABYGYWVJIX-LJQANCHMSA-N 0 3 333.479 3.616 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001172310864 1137545848 /nfs/dbraw/zinc/54/58/48/1137545848.db2.gz KIIJNADUFIDIOC-MOPGFXCFSA-N 0 3 333.479 3.696 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC001172309020 1137546044 /nfs/dbraw/zinc/54/60/44/1137546044.db2.gz PJRBNSZGBBJOAD-INIZCTEOSA-N 0 3 339.870 3.965 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000876629620 1137657504 /nfs/dbraw/zinc/65/75/04/1137657504.db2.gz KGCHSQOHJGVWPJ-LBPRGKRZSA-N 0 3 335.662 3.815 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000876677163 1137658777 /nfs/dbraw/zinc/65/87/77/1137658777.db2.gz IRXCCDXMXDAUHI-GHMZBOCLSA-N 0 3 341.160 3.530 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCCc2ccc(C(F)(F)F)cc2)c1 ZINC000876882805 1137664378 /nfs/dbraw/zinc/66/43/78/1137664378.db2.gz SDFVFFOHQLPCEL-UHFFFAOYSA-N 0 3 339.748 3.958 20 30 EHEDHN CCc1ccc([C@H](CNCc2cc(C#N)cnc2Cl)N(C)C)cc1 ZINC000876884368 1137664584 /nfs/dbraw/zinc/66/45/84/1137664584.db2.gz HCWMHPPMDAKBOL-SFHVURJKSA-N 0 3 342.874 3.562 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000876896616 1137664882 /nfs/dbraw/zinc/66/48/82/1137664882.db2.gz JFDZOSOQAQWFSE-ZDUSSCGKSA-N 0 3 348.796 3.569 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000876968707 1137666559 /nfs/dbraw/zinc/66/65/59/1137666559.db2.gz SHINPJJKRVCNDJ-WMZOPIPTSA-N 0 3 341.842 3.864 20 30 EHEDHN N#CCOc1ccc(CN2CCC(Sc3ccncc3)CC2)cc1 ZINC001137120385 1137677467 /nfs/dbraw/zinc/67/74/67/1137677467.db2.gz ITJFQAPKDDXFSH-UHFFFAOYSA-N 0 3 339.464 3.741 20 30 EHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc(Cl)ccc1Br ZINC000877496791 1137678586 /nfs/dbraw/zinc/67/85/86/1137678586.db2.gz WWOUNMMHTJVWAS-IINYFYTJSA-N 0 3 345.668 3.568 20 30 EHEDHN COc1cccc([C@H]2C[C@H](NCc3cc(C#N)cnc3Cl)C2)c1 ZINC000877572121 1137681599 /nfs/dbraw/zinc/68/15/99/1137681599.db2.gz DUOPIMAIMPXHGJ-KOMQPUFPSA-N 0 3 327.815 3.651 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H](NCC3(C#N)CCC3)CC[C@H]21 ZINC000877594011 1137682356 /nfs/dbraw/zinc/68/23/56/1137682356.db2.gz MJAFDGTVFBZBTH-IXDOHACOSA-N 0 3 347.503 3.838 20 30 EHEDHN CC(C)c1cc([C@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)[nH]n1 ZINC000877783969 1137689834 /nfs/dbraw/zinc/68/98/34/1137689834.db2.gz LZLAIFAILFPSHZ-INIZCTEOSA-N 0 3 326.419 3.923 20 30 EHEDHN CC(C)c1cc([C@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000877783969 1137689835 /nfs/dbraw/zinc/68/98/35/1137689835.db2.gz LZLAIFAILFPSHZ-INIZCTEOSA-N 0 3 326.419 3.923 20 30 EHEDHN CCN(CCc1ccccc1)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000877970478 1137697530 /nfs/dbraw/zinc/69/75/30/1137697530.db2.gz PNOBUJXFKVNRMK-JOCHJYFZSA-N 0 3 334.463 3.992 20 30 EHEDHN C#CCCCCCN1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000878136578 1137703935 /nfs/dbraw/zinc/70/39/35/1137703935.db2.gz CEJKJUSYWMIKJI-KRWDZBQOSA-N 0 3 349.544 3.552 20 30 EHEDHN CCSCC[C@@H](C)N(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878262512 1137708987 /nfs/dbraw/zinc/70/89/87/1137708987.db2.gz RWQWKSSIYKNAKG-VQIMIIECSA-N 0 3 332.513 3.891 20 30 EHEDHN C=C(C)[C@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(F)c(F)c1 ZINC000878451501 1137716627 /nfs/dbraw/zinc/71/66/27/1137716627.db2.gz MRYNRYVOXCBKTE-YJBOKZPZSA-N 0 3 337.410 3.900 20 30 EHEDHN Cc1cccc(C(=O)NC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000879350265 1137745094 /nfs/dbraw/zinc/74/50/94/1137745094.db2.gz AFXFVZCCSLFZJX-KRWDZBQOSA-N 0 3 347.462 3.822 20 30 EHEDHN N#Cc1cc(Br)ccc1CN[C@@H]1CCC[C@]12CCCO2 ZINC000880503526 1137780063 /nfs/dbraw/zinc/78/00/63/1137780063.db2.gz QBXJQBOEIHSBSC-CVEARBPZSA-N 0 3 335.245 3.512 20 30 EHEDHN C#CCCCCN[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000130735296 1137841549 /nfs/dbraw/zinc/84/15/49/1137841549.db2.gz IWMYQSJLAUVERH-HXUWFJFHSA-N 0 3 336.435 3.768 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@@H](CC)c2c(C)nn(C)c2C)cc1 ZINC000133727612 1137908771 /nfs/dbraw/zinc/90/87/71/1137908771.db2.gz LMDKEQBWHJUXFN-LIRRHRJNSA-N 0 3 325.456 3.851 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc3[nH]ccc3cc2C)CC1 ZINC000332577623 1137947638 /nfs/dbraw/zinc/94/76/38/1137947638.db2.gz GNJYLHLXYYYHFR-UHFFFAOYSA-N 0 3 326.444 3.638 20 30 EHEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072561468 1138105632 /nfs/dbraw/zinc/10/56/32/1138105632.db2.gz IGJDZDSUXACVNO-LSDHHAIUSA-N 0 3 331.485 3.751 20 30 EHEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075745717 1138128781 /nfs/dbraw/zinc/12/87/81/1138128781.db2.gz KBRGJNZMONDKMX-DNVCBOLYSA-N 0 3 344.418 3.986 20 30 EHEDHN C=CCN1CCC(NC(=O)C[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000092897211 1138232696 /nfs/dbraw/zinc/23/26/96/1138232696.db2.gz ZMMPWLCLAJWRRF-OAHLLOKOSA-N 0 3 334.891 3.675 20 30 EHEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cnn(Cc2ccccc2)c1 ZINC000348414101 1138273770 /nfs/dbraw/zinc/27/37/70/1138273770.db2.gz WYMAQFTZJATJCH-KRWDZBQOSA-N 0 3 346.434 3.533 20 30 EHEDHN CN(Cc1ccc(OCC#N)cc1)Cc1ccc(OC(F)F)cc1 ZINC000264086900 1138416089 /nfs/dbraw/zinc/41/60/89/1138416089.db2.gz FKGVHIMVLKQJKX-UHFFFAOYSA-N 0 3 332.350 3.822 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CC)Cc2ccc(Cl)s2)CC1 ZINC000264322577 1138475699 /nfs/dbraw/zinc/47/56/99/1138475699.db2.gz ASNSSOASVMYXGA-UHFFFAOYSA-N 0 3 341.908 3.583 20 30 EHEDHN C[C@H](c1ccsc1)N1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000337205103 1138494605 /nfs/dbraw/zinc/49/46/05/1138494605.db2.gz JVFHIQCETBRAGW-QGZVFWFLSA-N 0 3 347.528 3.527 20 30 EHEDHN COc1ccc(CNCc2cccc(OCC(F)F)c2)cc1C#N ZINC000174356287 1139416009 /nfs/dbraw/zinc/41/60/09/1139416009.db2.gz ATFQOJWPVHNYGE-UHFFFAOYSA-N 0 3 332.350 3.501 20 30 EHEDHN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(CN(C)C)cc1 ZINC000175783565 1139518575 /nfs/dbraw/zinc/51/85/75/1139518575.db2.gz MSLBILUQGFCIAZ-UHFFFAOYSA-N 0 3 336.439 3.694 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CC)[C@@H](CC)Cc2ccccc2)CC1 ZINC000177820764 1139644762 /nfs/dbraw/zinc/64/47/62/1139644762.db2.gz GCBBLAKYMWTNMR-FQEVSTJZSA-N 0 3 343.515 3.690 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)cc2OCC)CC1 ZINC000181622250 1139919777 /nfs/dbraw/zinc/91/97/77/1139919777.db2.gz KCOSEZSIBZZIPP-UHFFFAOYSA-N 0 3 336.863 3.509 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CC)C[C@H](CC)c2ccccc2)CC1 ZINC000188042162 1140281495 /nfs/dbraw/zinc/28/14/95/1140281495.db2.gz KUDRDMDRTVBUSP-SFHVURJKSA-N 0 3 343.515 3.862 20 30 EHEDHN COc1ccc(C)cc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000350698965 1140336403 /nfs/dbraw/zinc/33/64/03/1140336403.db2.gz IIFGWDIBTOWTMN-UHFFFAOYSA-N 0 3 336.435 3.919 20 30 EHEDHN CCN(CCCCCS(=O)(=O)CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000190425478 1140403811 /nfs/dbraw/zinc/40/38/11/1140403811.db2.gz NCNHINWYNGIFNV-INIZCTEOSA-N 0 3 336.501 3.546 20 30 EHEDHN Cc1cc(C)cc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190633636 1140412588 /nfs/dbraw/zinc/41/25/88/1140412588.db2.gz JZCPDZNJYSMSSO-UTKZUKDTSA-N 0 3 347.462 3.627 20 30 EHEDHN C=CC[C@@H](C)[C@@H](C)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000269063038 1141058110 /nfs/dbraw/zinc/05/81/10/1141058110.db2.gz KQLSVFDMFGIWHF-HUUCEWRRSA-N 0 3 343.496 3.763 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000533513644 1015871742 /nfs/dbraw/zinc/87/17/42/1015871742.db2.gz MGWQPFXMFXLSAW-DNVCBOLYSA-N 0 3 330.447 3.846 20 30 EHEDHN C=CCCCCN1CCc2c(c(COCC=C)nn2CC2CC2)C1 ZINC001209200098 1015936716 /nfs/dbraw/zinc/93/67/16/1015936716.db2.gz GQVDJMSXRKVGGO-UHFFFAOYSA-N 0 3 329.488 3.710 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CCC(C)(C)CO3)nc21 ZINC000892705099 1016927964 /nfs/dbraw/zinc/92/79/64/1016927964.db2.gz OIWDBQBTTARXLQ-KBPBESRZSA-N 0 3 325.412 3.643 20 30 EHEDHN C=CCCCC[C@@H](C)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000449219259 1032336142 /nfs/dbraw/zinc/33/61/42/1032336142.db2.gz NDBYQHRIKUNEJT-GFCCVEGCSA-N 0 3 326.366 3.973 20 30 EHEDHN Cc1cc(C)c(C#N)c(N(C)[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000348171880 1032370474 /nfs/dbraw/zinc/37/04/74/1032370474.db2.gz VRVSJNJNMFIBCU-IBGZPJMESA-N 0 3 334.467 3.671 20 30 EHEDHN Cn1cc(CNCc2ccc(-n3cnc4ccccc43)cc2)cc1C#N ZINC000190909674 1032409678 /nfs/dbraw/zinc/40/96/78/1032409678.db2.gz KBIYZQJGSRZFTA-UHFFFAOYSA-N 0 3 341.418 3.525 20 30 EHEDHN N#CC1(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC000459754372 1032448389 /nfs/dbraw/zinc/44/83/89/1032448389.db2.gz MROZPKHQUGUHFL-LEWJYISDSA-N 0 3 349.453 3.687 20 30 EHEDHN CN(C)CCN(Cc1ccsc1)C(=O)CC1(C#N)CCCCC1 ZINC000597766164 1032665479 /nfs/dbraw/zinc/66/54/79/1032665479.db2.gz YYTSQWHINYLRCM-UHFFFAOYSA-N 0 3 333.501 3.502 20 30 EHEDHN Cc1cc(C)n(-c2ccc(CN[C@H](C)c3cccc(C#N)c3)cn2)n1 ZINC000181525821 1017106224 /nfs/dbraw/zinc/10/62/24/1017106224.db2.gz DOGSXKKVRPIDSP-MRXNPFEDSA-N 0 3 331.423 3.607 20 30 EHEDHN C=CCOc1ccc(CNCc2cccc3c2CCCN3)cc1OC ZINC000415031459 1017431733 /nfs/dbraw/zinc/43/17/33/1017431733.db2.gz HPGWVLRZDUBNND-UHFFFAOYSA-N 0 3 338.451 3.908 20 30 EHEDHN COc1ccc(CN2CCSC[C@H]2C2CC2)cc1OCCCC#N ZINC000449529590 1032702025 /nfs/dbraw/zinc/70/20/25/1032702025.db2.gz YFNIGZMKVBJIRC-KRWDZBQOSA-N 0 3 346.496 3.705 20 30 EHEDHN CC(C)(CNC[C@H](C#N)CCC#N)c1ccc(Br)cc1 ZINC000549194684 1017598122 /nfs/dbraw/zinc/59/81/22/1017598122.db2.gz NQIRYMZOBOUQCY-ZDUSSCGKSA-N 0 3 334.261 3.760 20 30 EHEDHN C[C@H]1C[C@H]1c1noc(CC2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000593075168 1032769095 /nfs/dbraw/zinc/76/90/95/1032769095.db2.gz AOTQKLJEYAHVOG-KBXCAEBGSA-N 0 3 336.439 3.519 20 30 EHEDHN CC[C@@H](NCCOc1ccc(C#N)cc1OC)c1ccccc1F ZINC000594019363 1032789129 /nfs/dbraw/zinc/78/91/29/1032789129.db2.gz HNMOLIJMWIXVLA-QGZVFWFLSA-N 0 3 328.387 3.826 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000614406751 1018996875 /nfs/dbraw/zinc/99/68/75/1018996875.db2.gz JKRKQKLNGAQBMA-UHFFFAOYSA-N 0 3 338.426 3.575 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1Cl ZINC000449558572 1032802283 /nfs/dbraw/zinc/80/22/83/1032802283.db2.gz WSJLFFRZAJVCEF-IXDOHACOSA-N 0 3 335.875 3.888 20 30 EHEDHN C=CCCSCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000597974078 1032808163 /nfs/dbraw/zinc/80/81/63/1032808163.db2.gz ZTDYKIHHBRYKNY-UHFFFAOYSA-N 0 3 332.513 3.712 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccc2ccccc2c1 ZINC000175947228 1019383335 /nfs/dbraw/zinc/38/33/35/1019383335.db2.gz LSSXAFADLSKSEA-AUUYWEPGSA-N 0 3 334.419 3.711 20 30 EHEDHN CC[C@@H](NCc1ccc(C#N)cc1Br)[C@H]1CCCCO1 ZINC000594043800 1032870349 /nfs/dbraw/zinc/87/03/49/1032870349.db2.gz OWPQSQQLYQAVTL-HZPDHXFCSA-N 0 3 337.261 3.758 20 30 EHEDHN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cccc(C#N)n1 ZINC000602453326 1032883750 /nfs/dbraw/zinc/88/37/50/1032883750.db2.gz KLBHOEBGPNZSKJ-UHFFFAOYSA-N 0 3 349.413 3.547 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1-c1ccc(F)cc1 ZINC000760347585 1032887548 /nfs/dbraw/zinc/88/75/48/1032887548.db2.gz WPLVOQJHGKJQNW-KRWDZBQOSA-N 0 3 334.354 3.513 20 30 EHEDHN Cc1ccsc1[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507424853 1021257606 /nfs/dbraw/zinc/25/76/06/1021257606.db2.gz UTRFIYNQNRPYRB-PBHICJAKSA-N 0 3 339.464 3.774 20 30 EHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(OCc2nccn2C)cc1 ZINC000151376044 1021431620 /nfs/dbraw/zinc/43/16/20/1021431620.db2.gz QVJBQDSRUQUHJY-MRXNPFEDSA-N 0 3 346.434 3.722 20 30 EHEDHN C=CC1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000518971551 1021728705 /nfs/dbraw/zinc/72/87/05/1021728705.db2.gz HWULDOKGCIFYJI-HXUWFJFHSA-N 0 3 341.499 3.649 20 30 EHEDHN Cc1csc(NC(=O)N(C)CCCN(C)Cc2ccco2)c1C#N ZINC000517039252 1021973003 /nfs/dbraw/zinc/97/30/03/1021973003.db2.gz WCJPDJMOSOIYSD-UHFFFAOYSA-N 0 3 346.456 3.507 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000593692726 1033028502 /nfs/dbraw/zinc/02/85/02/1033028502.db2.gz ZAAUUZJUIJBBSM-JFTQMJAMSA-N 0 3 326.440 3.839 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441320718 1022149064 /nfs/dbraw/zinc/14/90/64/1022149064.db2.gz AJYLFQFTSYWSQW-PXNSSMCTSA-N 0 3 343.515 3.703 20 30 EHEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000441359585 1022174186 /nfs/dbraw/zinc/17/41/86/1022174186.db2.gz CGRAINKLRQLWBQ-IRFCIJBXSA-N 0 3 341.499 3.617 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](Cc1ccccc1)c1sccc1C ZINC000122767955 1022272453 /nfs/dbraw/zinc/27/24/53/1022272453.db2.gz JWKLQBPXECZYQG-WBVHZDCISA-N 0 3 328.481 3.621 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@H](CCc1ccccc1)c1ccccc1 ZINC000341577454 1022362875 /nfs/dbraw/zinc/36/28/75/1022362875.db2.gz VJJHXZVOTUBSCN-OAQYLSRUSA-N 0 3 349.478 3.712 20 30 EHEDHN C=C[C@@H](C(=O)N(CCN(C)C)Cc1ccsc1)c1ccccc1 ZINC001299157665 1022478915 /nfs/dbraw/zinc/47/89/15/1022478915.db2.gz FAFKMNLRCLBYHL-GOSISDBHSA-N 0 3 328.481 3.608 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000341611102 1022554255 /nfs/dbraw/zinc/55/42/55/1022554255.db2.gz ZRRGFYXHHXMWPM-WMZOPIPTSA-N 0 3 329.488 3.762 20 30 EHEDHN CCc1c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)[nH]c(C)c1C(C)=O ZINC000330467336 1022587653 /nfs/dbraw/zinc/58/76/53/1022587653.db2.gz XTNHWVDCVLRGMS-OLZOCXBDSA-N 0 3 333.476 3.513 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1C ZINC000330633850 1022635397 /nfs/dbraw/zinc/63/53/97/1022635397.db2.gz AUNKGXXNYUZSJV-SJORKVTESA-N 0 3 327.472 3.685 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCSC2(CCCCC2)C1 ZINC000430765527 1022668680 /nfs/dbraw/zinc/66/86/80/1022668680.db2.gz FQDDRJRCZBCZIK-UHFFFAOYSA-N 0 3 346.496 3.697 20 30 EHEDHN CN(C)[C@@H](CNc1ccc(C#N)nc1)c1cccc(C(F)(F)F)c1 ZINC000184352053 1022948161 /nfs/dbraw/zinc/94/81/61/1022948161.db2.gz GOJFTUGIQMFAHR-INIZCTEOSA-N 0 3 334.345 3.687 20 30 EHEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000134088748 1023043972 /nfs/dbraw/zinc/04/39/72/1023043972.db2.gz HYLCENCBEOVWJX-MAUKXSAKSA-N 0 3 343.471 3.683 20 30 EHEDHN CC(C)(C)[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000506994690 1023067631 /nfs/dbraw/zinc/06/76/31/1023067631.db2.gz LGOJWKADOMFATA-HXUWFJFHSA-N 0 3 335.451 3.551 20 30 EHEDHN Cc1cccc(C2(NCC(=O)NC3(C#N)CCCCC3)CCCC2)c1 ZINC000506448223 1023165715 /nfs/dbraw/zinc/16/57/15/1023165715.db2.gz RFYPOAPYGIAJMJ-UHFFFAOYSA-N 0 3 339.483 3.697 20 30 EHEDHN CC[C@H](C)[C@H](NCC(=O)N(CC)CCC#N)c1ccc(Cl)cc1 ZINC000341859284 1023479610 /nfs/dbraw/zinc/47/96/10/1023479610.db2.gz LRQCBVVWGFNXGP-KSSFIOAISA-N 0 3 335.879 3.779 20 30 EHEDHN C=CCOc1ccccc1CN1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000092754799 1023500248 /nfs/dbraw/zinc/50/02/48/1023500248.db2.gz UUORRPRLMDZZIM-QGZVFWFLSA-N 0 3 344.499 3.624 20 30 EHEDHN N#Cc1cccc(OCCCN2CCCO[C@H](c3ccccc3)C2)c1 ZINC000610786284 1023515261 /nfs/dbraw/zinc/51/52/61/1023515261.db2.gz QNNRQVNPKNZENM-NRFANRHFSA-N 0 3 336.435 3.791 20 30 EHEDHN CCN(CC)[C@H](C/N=C\c1cccc(OC)c1O)c1ccsc1 ZINC000255422114 1023840275 /nfs/dbraw/zinc/84/02/75/1023840275.db2.gz JEHCQPNXUQMBLB-VXIUPONVSA-N 0 3 332.469 3.964 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000535892979 1023963643 /nfs/dbraw/zinc/96/36/43/1023963643.db2.gz SLBFKVVFQDBSCA-IBGZPJMESA-N 0 3 341.499 3.665 20 30 EHEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180910040 1023969184 /nfs/dbraw/zinc/96/91/84/1023969184.db2.gz FDJKIOZHGYRQMB-KRWDZBQOSA-N 0 3 335.451 3.600 20 30 EHEDHN N#Cc1cc(CN2CCC(c3c[nH]c4cc(F)ccc43)CC2)ccn1 ZINC000610992796 1023984878 /nfs/dbraw/zinc/98/48/78/1023984878.db2.gz KHAFBXFWKWDFSS-UHFFFAOYSA-N 0 3 334.398 3.953 20 30 EHEDHN C=CCOC(=O)[C@@H](Nc1cc(CN2CCCCC2)ccn1)[C@@H](C)CC ZINC001167955307 1024000393 /nfs/dbraw/zinc/00/03/93/1024000393.db2.gz LVIGBUZGSUNVNY-LPHOPBHVSA-N 0 3 345.487 3.623 20 30 EHEDHN COc1ccc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1F ZINC000237193758 1024157306 /nfs/dbraw/zinc/15/73/06/1024157306.db2.gz IANSWWUDMFEANE-ZIAGYGMSSA-N 0 3 328.387 3.976 20 30 EHEDHN COC[C@H]1CCCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000449778036 1033197418 /nfs/dbraw/zinc/19/74/18/1033197418.db2.gz ROFNDXRPKXFGAF-ZDUSSCGKSA-N 0 3 326.362 3.826 20 30 EHEDHN C[C@H](NCc1cccc(Cn2cccn2)c1)c1ccc(C#N)c(F)c1 ZINC000346196784 1024518350 /nfs/dbraw/zinc/51/83/50/1024518350.db2.gz PHYPIYUXHFUWPI-HNNXBMFYSA-N 0 3 334.398 3.793 20 30 EHEDHN N#CC(C(=O)CCc1cc(F)ccc1F)c1nc2ccccc2[nH]1 ZINC000120962765 1024926492 /nfs/dbraw/zinc/92/64/92/1024926492.db2.gz OAQHGBHYCZUQME-ZDUSSCGKSA-N 0 3 325.318 3.650 20 30 EHEDHN CC(=O)Nc1cccc(CN2CCC(Nc3ccccc3C#N)CC2)c1 ZINC000602897760 1033249445 /nfs/dbraw/zinc/24/94/45/1033249445.db2.gz ZGNNIZRWJDKPCL-UHFFFAOYSA-N 0 3 348.450 3.593 20 30 EHEDHN COc1ccccc1CN(CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000434608506 1024984115 /nfs/dbraw/zinc/98/41/15/1024984115.db2.gz PXVNXJVJFHGSOT-UHFFFAOYSA-N 0 3 349.434 3.560 20 30 EHEDHN N#CC1(CCN[C@@H](c2ccncc2)C2(CO)CCC2)CCCCC1 ZINC000602903977 1033253770 /nfs/dbraw/zinc/25/37/70/1033253770.db2.gz UOYDQLWUJNFTQD-SFHVURJKSA-N 0 3 327.472 3.739 20 30 EHEDHN N#CC1(C(=O)NCCN2CCC3(CCCCC3)CC2)CCCCC1 ZINC000508330719 1025027492 /nfs/dbraw/zinc/02/74/92/1025027492.db2.gz KBNWQTPTCZWHAJ-UHFFFAOYSA-N 0 3 331.504 3.623 20 30 EHEDHN CCC[C@H](CN1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000515114951 1025029645 /nfs/dbraw/zinc/02/96/45/1025029645.db2.gz WIZCDRGNERBGJF-HXUWFJFHSA-N 0 3 334.467 3.659 20 30 EHEDHN Cc1cc(C)c(CNC2(c3ccc(C#N)cc3)CCOCC2)c(C)n1 ZINC000602917183 1033264115 /nfs/dbraw/zinc/26/41/15/1033264115.db2.gz ZCNVEFSKKSKTTI-UHFFFAOYSA-N 0 3 335.451 3.674 20 30 EHEDHN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(OCC#N)cc1 ZINC000281650163 1025329638 /nfs/dbraw/zinc/32/96/38/1025329638.db2.gz PNVHLPJRKALLDX-GOSISDBHSA-N 0 3 326.371 3.514 20 30 EHEDHN COc1cc(CN[C@@H](C)[C@@H](OC)c2ccccc2F)ccc1C#N ZINC000281709059 1025377747 /nfs/dbraw/zinc/37/77/47/1025377747.db2.gz OIOONTOLZKDCDW-ORAYPTAESA-N 0 3 328.387 3.572 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(-c2ccc(OC)cc2)n1 ZINC000684767398 1025383044 /nfs/dbraw/zinc/38/30/44/1025383044.db2.gz ICWGOLIRGFPXIP-QAPCUYQASA-N 0 3 344.480 3.890 20 30 EHEDHN Cc1ccc(Cl)cc1N1CC[C@H](CNC[C@H](C#N)CCC#N)C1 ZINC000521613133 1025524860 /nfs/dbraw/zinc/52/48/60/1025524860.db2.gz SCGLXZDUMRIKEE-JKSUJKDBSA-N 0 3 330.863 3.508 20 30 EHEDHN CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000329125289 1025613983 /nfs/dbraw/zinc/61/39/83/1025613983.db2.gz XZDBPUCSAXHYRW-SFHVURJKSA-N 0 3 326.444 3.985 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000179226420 1025640794 /nfs/dbraw/zinc/64/07/94/1025640794.db2.gz KXORFDARLZZLSU-KRWDZBQOSA-N 0 3 328.500 3.755 20 30 EHEDHN N#CC1(CCCN2CCN(c3ccc(Cl)cc3)CC2)CCOCC1 ZINC000281908066 1025689887 /nfs/dbraw/zinc/68/98/87/1025689887.db2.gz GHTYMTLCLTYNOF-UHFFFAOYSA-N 0 3 347.890 3.563 20 30 EHEDHN Clc1cccc(C#CCN2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000425548692 1025722992 /nfs/dbraw/zinc/72/29/92/1025722992.db2.gz GRAAOHIPJVALFC-LJQANCHMSA-N 0 3 329.871 3.973 20 30 EHEDHN Cc1c(C#N)cccc1C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000338143977 1025828218 /nfs/dbraw/zinc/82/82/18/1025828218.db2.gz VVDSRPUZMRAYFH-UHFFFAOYSA-N 0 3 349.478 3.503 20 30 EHEDHN CC1(C)[C@H](NCc2cc(C#N)ccc2Br)[C@@H]2CCCO[C@H]21 ZINC000451477781 1025992615 /nfs/dbraw/zinc/99/26/15/1025992615.db2.gz IUNHFQYKCAORCD-NUEKZKHPSA-N 0 3 349.272 3.614 20 30 EHEDHN C[C@H]1CN(Cc2cc(C#N)cs2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC000896986855 1026208466 /nfs/dbraw/zinc/20/84/66/1026208466.db2.gz MNOBYYDBMSMYHB-ZFWWWQNUSA-N 0 3 349.500 3.602 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000684929500 1026686865 /nfs/dbraw/zinc/68/68/65/1026686865.db2.gz MHKSYRAJMKSUPJ-HKUYNNGSSA-N 0 3 329.488 3.647 20 30 EHEDHN C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)C1=CCN(C)CC1 ZINC000272798587 1027122362 /nfs/dbraw/zinc/12/23/62/1027122362.db2.gz UOCMJYILFZXDDD-INIZCTEOSA-N 0 3 345.446 3.605 20 30 EHEDHN CC(=O)NCCc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000342816687 1027409306 /nfs/dbraw/zinc/40/93/06/1027409306.db2.gz XKFIJMDOYINXKX-INIZCTEOSA-N 0 3 347.462 3.577 20 30 EHEDHN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)CCCCC(C)(C)C#N ZINC000503236414 1027676762 /nfs/dbraw/zinc/67/67/62/1027676762.db2.gz CCRAPZNBHDSKHX-KRWDZBQOSA-N 0 3 329.488 3.858 20 30 EHEDHN C[C@H](Cc1ccc(F)c(Br)c1)NCc1ccc(C#N)o1 ZINC000130266721 1027750181 /nfs/dbraw/zinc/75/01/81/1027750181.db2.gz UBGLEMWAQBLVKR-SNVBAGLBSA-N 0 3 337.192 3.774 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000502188817 1027927823 /nfs/dbraw/zinc/92/78/23/1027927823.db2.gz QDQSFJKIPHBNEC-KRWDZBQOSA-N 0 3 329.488 3.704 20 30 EHEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000112699320 1027954060 /nfs/dbraw/zinc/95/40/60/1027954060.db2.gz FQEOZKBWQMCLBG-IBGZPJMESA-N 0 3 327.472 3.658 20 30 EHEDHN Cc1oc(NC(=O)CN[C@H](c2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000502490343 1028248086 /nfs/dbraw/zinc/24/80/86/1028248086.db2.gz XMKHMRZYGGQPTB-SFHVURJKSA-N 0 3 343.402 3.833 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000502500216 1028259374 /nfs/dbraw/zinc/25/93/74/1028259374.db2.gz UTQDUGDCINUJJI-GOSISDBHSA-N 0 3 331.843 3.768 20 30 EHEDHN C=CCCC[C@H](C)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000091537588 1028545773 /nfs/dbraw/zinc/54/57/73/1028545773.db2.gz NCYORAIJUDIIRT-IBGZPJMESA-N 0 3 343.515 3.604 20 30 EHEDHN C=C(C)[C@H](CC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)OCC ZINC000533714717 1028576832 /nfs/dbraw/zinc/57/68/32/1028576832.db2.gz PADMTXMBLVLOEJ-PMACEKPBSA-N 0 3 344.499 3.619 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H](N)CCCC#N ZINC000424098475 1028801350 /nfs/dbraw/zinc/80/13/50/1028801350.db2.gz KYBACLBMUIOCBW-QMTHXVAHSA-N 0 3 328.243 3.534 20 30 EHEDHN CC(C)(C)c1nc2ccc(NC(=O)[C@H](N)CCCC#N)cc2s1 ZINC000424111716 1028806655 /nfs/dbraw/zinc/80/66/55/1028806655.db2.gz HCMFSXUKRXYIQW-GFCCVEGCSA-N 0 3 330.457 3.553 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000424113772 1028810902 /nfs/dbraw/zinc/81/09/02/1028810902.db2.gz ONOVJNWYFHHZGJ-OAHLLOKOSA-N 0 3 336.439 3.845 20 30 EHEDHN CC(C)[C@@H](NCc1ccc(C#N)s1)c1ccc2[nH]c(=O)oc2c1 ZINC000421895983 1028914046 /nfs/dbraw/zinc/91/40/46/1028914046.db2.gz YZUMGVYTVMYXKG-MRXNPFEDSA-N 0 3 327.409 3.953 20 30 EHEDHN C=CCCCN(C)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000076736585 1029039231 /nfs/dbraw/zinc/03/92/31/1029039231.db2.gz UOFRJASNOAPPQI-UHFFFAOYSA-N 0 3 337.467 3.682 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(C(C)C)cc2)CC1 ZINC000078533543 1029352426 /nfs/dbraw/zinc/35/24/26/1029352426.db2.gz QKNZUEGXHZDISC-UHFFFAOYSA-N 0 3 343.515 3.992 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCCn1c2ccccc2[nH]c1=O ZINC000583377662 1029741888 /nfs/dbraw/zinc/74/18/88/1029741888.db2.gz WKABFFPTWRCDHN-HNNXBMFYSA-N 0 3 334.423 3.697 20 30 EHEDHN CC[C@@H](C)N[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccco1 ZINC000343256450 1029944972 /nfs/dbraw/zinc/94/49/72/1029944972.db2.gz WKTYEWZZZAZCQX-IUODEOHRSA-N 0 3 328.372 3.601 20 30 EHEDHN CC[C@@H](C)N[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccco1 ZINC000343280010 1030071104 /nfs/dbraw/zinc/07/11/04/1030071104.db2.gz ZEZHULVCCKXETQ-IUODEOHRSA-N 0 3 328.372 3.601 20 30 EHEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1ccccc1SCC#N ZINC000245450476 1030079070 /nfs/dbraw/zinc/07/90/70/1030079070.db2.gz ORAXPWRGJQUMGH-HLLBOEOZSA-N 0 3 343.496 3.894 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000453366612 1030181034 /nfs/dbraw/zinc/18/10/34/1030181034.db2.gz RSTMAHUUCNDAEE-CVAIRZPRSA-N 0 3 325.456 3.792 20 30 EHEDHN C=CCCCC(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000482051002 1030181393 /nfs/dbraw/zinc/18/13/93/1030181393.db2.gz TXKQGKXRCJYQAF-UHFFFAOYSA-N 0 3 329.488 3.820 20 30 EHEDHN CC(C)Cc1ccc([C@@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000525886566 1030204729 /nfs/dbraw/zinc/20/47/29/1030204729.db2.gz WLJDHLWCBCPEQY-FQEVSTJZSA-N 0 3 341.499 3.734 20 30 EHEDHN CC[C@H](NCc1ccccc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000447540335 1030275940 /nfs/dbraw/zinc/27/59/40/1030275940.db2.gz JGAKCVMWTDYVCV-FQEVSTJZSA-N 0 3 335.451 3.636 20 30 EHEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@@H]2c2ccccc2)c1C#N ZINC000526087639 1030410825 /nfs/dbraw/zinc/41/08/25/1030410825.db2.gz VRILSFXZBDEETF-YLJYHZDGSA-N 0 3 334.419 3.771 20 30 EHEDHN CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H](N4CC=CC4)C3)c2c1 ZINC000447690369 1030426624 /nfs/dbraw/zinc/42/66/24/1030426624.db2.gz CRQNVJHLQVJVHM-GOSISDBHSA-N 0 3 332.451 3.680 20 30 EHEDHN CCC(CC)CN(CCC#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159985939 1030475758 /nfs/dbraw/zinc/47/57/58/1030475758.db2.gz VYOWOCUDWMOTME-UHFFFAOYSA-N 0 3 335.536 3.923 20 30 EHEDHN CN1CCCC(C)(C)[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000447810724 1030510006 /nfs/dbraw/zinc/51/00/06/1030510006.db2.gz AMVWZZSKIQAKJH-CYBMUJFWSA-N 0 3 326.366 3.504 20 30 EHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000246736504 1030677452 /nfs/dbraw/zinc/67/74/52/1030677452.db2.gz IELHGVGXVSOPMB-LMMKCTJWSA-N 0 3 339.483 3.596 20 30 EHEDHN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1cccc2ccccc21 ZINC000123196864 1030988220 /nfs/dbraw/zinc/98/82/20/1030988220.db2.gz YSUQSBDKWSFXIM-MRXNPFEDSA-N 0 3 335.451 3.833 20 30 EHEDHN C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1cccc2ccccc21 ZINC000123196643 1030989386 /nfs/dbraw/zinc/98/93/86/1030989386.db2.gz YSUQSBDKWSFXIM-INIZCTEOSA-N 0 3 335.451 3.833 20 30 EHEDHN C=C(C)CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483250804 1031065053 /nfs/dbraw/zinc/06/50/53/1031065053.db2.gz PCZSJDRYAVWROL-LBPRGKRZSA-N 0 3 338.167 3.667 20 30 EHEDHN COc1ccc([C@@H](CNc2nccc(C)c2C#N)N2CCCC2)cc1 ZINC000343483476 1031085376 /nfs/dbraw/zinc/08/53/76/1031085376.db2.gz XQMZKPXKOFJAFK-LJQANCHMSA-N 0 3 336.439 3.519 20 30 EHEDHN Cc1ccc2ccccc2c1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000483425915 1031161809 /nfs/dbraw/zinc/16/18/09/1031161809.db2.gz AWYXFZXBAWZHNN-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cccc(C)c2)C(C)C)CC1 ZINC000527769339 1031233689 /nfs/dbraw/zinc/23/36/89/1031233689.db2.gz ZMBLALPCRKAJCR-LJQANCHMSA-N 0 3 329.488 3.642 20 30 EHEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)ccc1C#N ZINC000527807287 1031282732 /nfs/dbraw/zinc/28/27/32/1031282732.db2.gz CDGBACSNYKWDGU-UHFFFAOYSA-N 0 3 331.419 3.534 20 30 EHEDHN C=CCSc1ccccc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000584012073 1031415521 /nfs/dbraw/zinc/41/55/21/1031415521.db2.gz YCSALXCEFFGMMR-LZLYRXPVSA-N 0 3 344.524 3.767 20 30 EHEDHN C=C(CNC(=O)N(CCN(C)C)Cc1ccsc1)c1ccccc1 ZINC000458764749 1031426961 /nfs/dbraw/zinc/42/69/61/1031426961.db2.gz RTOZLKCFNGFCRA-UHFFFAOYSA-N 0 3 343.496 3.535 20 30 EHEDHN Cc1ccccc1[C@H](NCC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000343623067 1031674124 /nfs/dbraw/zinc/67/41/24/1031674124.db2.gz GHQOGEKAAFECEI-JOCHJYFZSA-N 0 3 347.462 3.983 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cccc(CC#N)c1)c1ccco1 ZINC000455904242 1031750798 /nfs/dbraw/zinc/75/07/98/1031750798.db2.gz KEWAKBKOLKWALG-PBHICJAKSA-N 0 3 340.427 3.597 20 30 EHEDHN C=CCc1cc(CN2CCC(c3cccnc3)CC2)cc(OC)c1O ZINC000685456256 1033345160 /nfs/dbraw/zinc/34/51/60/1033345160.db2.gz KLNHSDIHWOCOKJ-UHFFFAOYSA-N 0 3 338.451 3.904 20 30 EHEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594433352 1033371870 /nfs/dbraw/zinc/37/18/70/1033371870.db2.gz OGFUVXKDHCUYSW-OTWHNJEPSA-N 0 3 327.472 3.501 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000594445512 1033377838 /nfs/dbraw/zinc/37/78/38/1033377838.db2.gz GVYJQIKYULLAAT-HNNXBMFYSA-N 0 3 348.878 3.680 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000594427335 1033389246 /nfs/dbraw/zinc/38/92/46/1033389246.db2.gz HWYPWWVFTOSZQC-GOSISDBHSA-N 0 3 349.425 3.647 20 30 EHEDHN CN(C)Cc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ccc1F ZINC000594502243 1033403967 /nfs/dbraw/zinc/40/39/67/1033403967.db2.gz LDMDWHBOUDMJJC-UHFFFAOYSA-N 0 3 339.458 3.978 20 30 EHEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000173959724 1033630395 /nfs/dbraw/zinc/63/03/95/1033630395.db2.gz BBFIISGFNFATKS-RHSMWYFYSA-N 0 3 330.428 3.949 20 30 EHEDHN C=CCOCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595078064 1033696979 /nfs/dbraw/zinc/69/69/79/1033696979.db2.gz SJHGDPKKNZFEEY-LJQANCHMSA-N 0 3 326.396 3.867 20 30 EHEDHN CO[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)C1CCCCC1 ZINC000595471422 1033821767 /nfs/dbraw/zinc/82/17/67/1033821767.db2.gz AOTZDXLYKYIKIL-SFHVURJKSA-N 0 3 327.472 3.534 20 30 EHEDHN N#CCc1ccc(CN2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC000595505465 1033834761 /nfs/dbraw/zinc/83/47/61/1033834761.db2.gz UKSWMXBNHYQBHG-UHFFFAOYSA-N 0 3 341.405 3.743 20 30 EHEDHN C#CCCCN[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000174273559 1033886374 /nfs/dbraw/zinc/88/63/74/1033886374.db2.gz KEGUGHPKAVUGQI-FQEVSTJZSA-N 0 3 336.435 3.686 20 30 EHEDHN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@@H](O)CC1(C#N)CC1 ZINC000599385849 1033913014 /nfs/dbraw/zinc/91/30/14/1033913014.db2.gz PGTKJSUAPZWDKG-ZFWWWQNUSA-N 0 3 326.362 3.633 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OC)c(OCC)c2)cc1 ZINC000168806926 1033926730 /nfs/dbraw/zinc/92/67/30/1033926730.db2.gz MYERIKPMVHFFOS-MRXNPFEDSA-N 0 3 339.435 3.957 20 30 EHEDHN N#Cc1ccc(CNC[C@@H](O)c2c(Cl)cccc2Cl)s1 ZINC000176974560 1033927201 /nfs/dbraw/zinc/92/72/01/1033927201.db2.gz VHEBWOVOYXDCKT-CYBMUJFWSA-N 0 3 327.236 3.750 20 30 EHEDHN C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCC(F)CC1 ZINC000595817635 1033993917 /nfs/dbraw/zinc/99/39/17/1033993917.db2.gz AEXLNANRQYSXEV-XEBKBJJBSA-N 0 3 328.391 3.615 20 30 EHEDHN C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)[C@H](N)CCCC#N ZINC000595994589 1034041505 /nfs/dbraw/zinc/04/15/05/1034041505.db2.gz UEGNEWYTNZOKJG-IFMALSPDSA-N 0 3 349.478 3.785 20 30 EHEDHN COCCC1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000529637321 1034325076 /nfs/dbraw/zinc/32/50/76/1034325076.db2.gz CNGYMAHRRDFUKP-UHFFFAOYSA-N 0 3 346.471 3.626 20 30 EHEDHN COc1cc(CN(C)Cc2ccc(C3(C#N)CC3)cc2)cc(OC)c1 ZINC000596983944 1034481863 /nfs/dbraw/zinc/48/18/63/1034481863.db2.gz KGAVZJFQYUJWDR-UHFFFAOYSA-N 0 3 336.435 3.891 20 30 EHEDHN CCOc1ccc(O)c(/C=N\C[C@@H](c2cccc(OC)c2)N(C)C)c1 ZINC000255828568 1034483194 /nfs/dbraw/zinc/48/31/94/1034483194.db2.gz VBGANOWRPXKRSC-IAFWPLRWSA-N 0 3 342.439 3.521 20 30 EHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCc2ccccc2NC1=O ZINC000594512816 1034594834 /nfs/dbraw/zinc/59/48/34/1034594834.db2.gz RTLMTIMPMXBXJZ-LEWJYISDSA-N 0 3 345.446 3.869 20 30 EHEDHN N#CC(C(=O)CCc1cscn1)c1nc2ccccc2n1C(F)F ZINC000172021991 1034776364 /nfs/dbraw/zinc/77/63/64/1034776364.db2.gz XDKNTYYMYAAOBC-LLVKDONJSA-N 0 3 346.362 3.697 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892490303 1034848994 /nfs/dbraw/zinc/84/89/94/1034848994.db2.gz SCQWRRJDZCRPSQ-PSEXLTFBSA-N 0 3 348.855 3.662 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN(C)[C@@H](C)C(C)C)ccc1Cl ZINC000347354805 1034903973 /nfs/dbraw/zinc/90/39/73/1034903973.db2.gz GKENRITUWSVTNS-HNNXBMFYSA-N 0 3 335.879 3.871 20 30 EHEDHN COC[C@H]1CCCCN(Cc2cc(C#N)ccc2Br)C1 ZINC000365190442 1034955637 /nfs/dbraw/zinc/95/56/37/1034955637.db2.gz HGNDWKMBXWSETK-AWEZNQCLSA-N 0 3 337.261 3.569 20 30 EHEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(N2CCCC2=O)cc1 ZINC000177691101 1035323627 /nfs/dbraw/zinc/32/36/27/1035323627.db2.gz BAEWLSBNEOTNOD-CYBMUJFWSA-N 0 3 325.437 3.597 20 30 EHEDHN CCOCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCCC1 ZINC000177698853 1035331566 /nfs/dbraw/zinc/33/15/66/1035331566.db2.gz WIKIRWLWIFGKQL-AWEZNQCLSA-N 0 3 326.396 3.991 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H](C3CCOCC3)C2)c(Br)c1 ZINC000376168812 1035367913 /nfs/dbraw/zinc/36/79/13/1035367913.db2.gz WCOOWORQWDJQDB-OAHLLOKOSA-N 0 3 349.272 3.569 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@H](c2ccccc2C)C(C)C)CC1 ZINC000492275543 1035571439 /nfs/dbraw/zinc/57/14/39/1035571439.db2.gz XIBGQXREUYSAAU-FQEVSTJZSA-N 0 3 343.515 3.984 20 30 EHEDHN C#C[C@H](NC1CCN(c2nccs2)CC1)c1ccc(Cl)cc1 ZINC000491231624 1035584503 /nfs/dbraw/zinc/58/45/03/1035584503.db2.gz UYQNZGSJCLWCRZ-INIZCTEOSA-N 0 3 331.872 3.729 20 30 EHEDHN C[C@@H]1CCN(C(=O)CCCCCC#N)CCN1Cc1ccccc1 ZINC000588627099 1035920574 /nfs/dbraw/zinc/92/05/74/1035920574.db2.gz CMFBOWPMQZLNGI-GOSISDBHSA-N 0 3 327.472 3.583 20 30 EHEDHN C=CCc1cc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc(OC)c1O ZINC000628390946 1036164317 /nfs/dbraw/zinc/16/43/17/1036164317.db2.gz QRDHBOLHQXYOIW-BETUJISGSA-N 0 3 325.399 3.852 20 30 EHEDHN C=CCN1CCC(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC000457540211 1036237983 /nfs/dbraw/zinc/23/79/83/1036237983.db2.gz IRNJDOHQJGNCKR-UHFFFAOYSA-N 0 3 334.891 3.675 20 30 EHEDHN C[C@H](c1ccccc1F)N(C)CCC(=O)Nc1ccccc1C#N ZINC000165179165 1036306542 /nfs/dbraw/zinc/30/65/42/1036306542.db2.gz CWUBMAQGQSOOPR-CQSZACIVSA-N 0 3 325.387 3.719 20 30 EHEDHN CN(CCN1CCCC1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103116007 1036832440 /nfs/dbraw/zinc/83/24/40/1036832440.db2.gz SIPYMCKLRMOTNV-UHFFFAOYSA-N 0 3 349.434 3.518 20 30 EHEDHN CC[C@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000271706989 1036957939 /nfs/dbraw/zinc/95/79/39/1036957939.db2.gz UMODKUPWYLLMBD-DYVFJYSZSA-N 0 3 325.412 3.836 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CC#Cc1ccc(F)cc1 ZINC001168193621 1037189708 /nfs/dbraw/zinc/18/97/08/1037189708.db2.gz SGNZZGILUITHGU-RTBURBONSA-N 0 3 336.454 3.772 20 30 EHEDHN C=CCOC(=O)N[C@H]1CCCN([C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168193768 1037206537 /nfs/dbraw/zinc/20/65/37/1037206537.db2.gz QNUNAHNERATKOV-YOEHRIQHSA-N 0 3 336.863 3.648 20 30 EHEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000532576067 1037684705 /nfs/dbraw/zinc/68/47/05/1037684705.db2.gz HNUZKSXXHSLZMV-BSIFCXSSSA-N 0 3 345.446 3.542 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000271908211 1037694943 /nfs/dbraw/zinc/69/49/43/1037694943.db2.gz CVUULZFQJDCETD-QWHCGFSZSA-N 0 3 326.371 3.880 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000592069044 1037824994 /nfs/dbraw/zinc/82/49/94/1037824994.db2.gz GWIZWYINCXEIPY-LBPRGKRZSA-N 0 3 341.282 3.864 20 30 EHEDHN N#CCc1ccc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)cc1 ZINC000592177764 1037852538 /nfs/dbraw/zinc/85/25/38/1037852538.db2.gz PTXUDZYWPSCFKV-OAQYLSRUSA-N 0 3 332.447 3.912 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2coc3ccc(Cl)cc23)CC1 ZINC000651273429 1037876630 /nfs/dbraw/zinc/87/66/30/1037876630.db2.gz MUXXAZLFXOUCJC-UHFFFAOYSA-N 0 3 332.831 3.857 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)[C@H]2c2ccccc2)CC1 ZINC000592302253 1037911991 /nfs/dbraw/zinc/91/19/91/1037911991.db2.gz FXLURHFLSNBOHZ-LJQANCHMSA-N 0 3 341.499 3.820 20 30 EHEDHN COc1cc(CNCc2ccc(CC#N)cc2)ccc1OC(F)F ZINC000592369293 1037919147 /nfs/dbraw/zinc/91/91/47/1037919147.db2.gz KYZAEKAVJNWJCJ-UHFFFAOYSA-N 0 3 332.350 3.652 20 30 EHEDHN COc1cc(CNCc2ccc(CC#N)cc2)cc(Cl)c1OC ZINC000592371149 1037921371 /nfs/dbraw/zinc/92/13/71/1037921371.db2.gz UDRFYFFVHYUYCP-UHFFFAOYSA-N 0 3 330.815 3.713 20 30 EHEDHN COc1cccc([C@H](CNc2nc(C)ccc2C#N)N2CCCC2)c1 ZINC000341361871 1038012781 /nfs/dbraw/zinc/01/27/81/1038012781.db2.gz HQHMVJSIZBLMOJ-IBGZPJMESA-N 0 3 336.439 3.519 20 30 EHEDHN CCn1c2ccccc2c2cc(CN3CC[C@@](O)(CC#N)C3)ccc21 ZINC000592522408 1038021876 /nfs/dbraw/zinc/02/18/76/1038021876.db2.gz AURLZCATTLAYQT-NRFANRHFSA-N 0 3 333.435 3.665 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000041515694 1038115911 /nfs/dbraw/zinc/11/59/11/1038115911.db2.gz PBXDPSYVIBSOIL-CQSZACIVSA-N 0 3 327.409 3.536 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000041519814 1038116017 /nfs/dbraw/zinc/11/60/17/1038116017.db2.gz JUHFUYGWADGNHU-LLVKDONJSA-N 0 3 326.299 3.840 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccccc1C)C(C)(C)C ZINC000539292981 1038762893 /nfs/dbraw/zinc/76/28/93/1038762893.db2.gz UREAHOBDWUQOQN-BEFAXECRSA-N 0 3 329.488 3.680 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CNC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000539307008 1038777681 /nfs/dbraw/zinc/77/76/81/1038777681.db2.gz MIRNVNAZMJCXBL-OAQYLSRUSA-N 0 3 343.515 3.863 20 30 EHEDHN N#Cc1ccc(CN(CCO)CC2CCCCC2)c(OC(F)F)c1 ZINC000485847274 1039612774 /nfs/dbraw/zinc/61/27/74/1039612774.db2.gz ASAFSKASPULUOZ-UHFFFAOYSA-N 0 3 338.398 3.534 20 30 EHEDHN Cc1ccc(C)c(OC[C@H](O)CN[C@@H](CCC#N)c2ccccc2)c1 ZINC000553054897 1039736524 /nfs/dbraw/zinc/73/65/24/1039736524.db2.gz WTWJNYOOFNWTAZ-UXHICEINSA-N 0 3 338.451 3.678 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 ZINC000912225698 1039757520 /nfs/dbraw/zinc/75/75/20/1039757520.db2.gz LQPNFGNDZRWAGO-MRXNPFEDSA-N 0 3 349.475 3.670 20 30 EHEDHN Cc1cccc([C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000150716678 1039859866 /nfs/dbraw/zinc/85/98/66/1039859866.db2.gz RDLCVRYNUKSLNI-GOSISDBHSA-N 0 3 349.478 3.561 20 30 EHEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC)c1ccccc1OC(F)F ZINC000912390271 1039864184 /nfs/dbraw/zinc/86/41/84/1039864184.db2.gz IUAVPOKUSPNHMS-KGLIPLIRSA-N 0 3 326.387 3.539 20 30 EHEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000912464315 1039906780 /nfs/dbraw/zinc/90/67/80/1039906780.db2.gz RENXNSMPYNLXLG-SUMWQHHRSA-N 0 3 343.496 3.979 20 30 EHEDHN C=C(C)[C@@H](NCCc1nc(C(C)=O)c(C)[nH]1)c1ccc(F)c(F)c1 ZINC000660311418 1040315452 /nfs/dbraw/zinc/31/54/52/1040315452.db2.gz HSLVREGKGXJTNT-QGZVFWFLSA-N 0 3 333.382 3.648 20 30 EHEDHN Cc1noc(C2(C)CCN(Cc3ccc(C(C)(C)C#N)cc3)CC2)n1 ZINC000614181994 1040388020 /nfs/dbraw/zinc/38/80/20/1040388020.db2.gz AADFODRQJUGKKU-UHFFFAOYSA-N 0 3 338.455 3.733 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1CCCc1ccccc1 ZINC000486784128 1040441359 /nfs/dbraw/zinc/44/13/59/1040441359.db2.gz WVOCFUFXAILUHL-FPOVZHCZSA-N 0 3 341.499 3.528 20 30 EHEDHN CC(C)CN(C(=O)CN[C@@H](CCCC#N)c1ccccc1)C(C)C ZINC000433023308 1040478389 /nfs/dbraw/zinc/47/83/89/1040478389.db2.gz ORLXEGVYCMFDND-IBGZPJMESA-N 0 3 329.488 3.904 20 30 EHEDHN N#CCCC[C@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000433033355 1040510831 /nfs/dbraw/zinc/51/08/31/1040510831.db2.gz VCBXRQVMKNSBSD-FQEVSTJZSA-N 0 3 347.462 3.991 20 30 EHEDHN CC1CCN([C@@H](CNCc2nc(C#N)cs2)c2ccccc2)CC1 ZINC000569860682 1041023287 /nfs/dbraw/zinc/02/32/87/1041023287.db2.gz JZPZFIQSRQGQSR-SFHVURJKSA-N 0 3 340.496 3.578 20 30 EHEDHN C[C@@H](NCC(=O)N1CCCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543871821 1041634187 /nfs/dbraw/zinc/63/41/87/1041634187.db2.gz ADRFMJJORIRPPL-QGZVFWFLSA-N 0 3 347.462 3.888 20 30 EHEDHN C=CCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@H](C)COC ZINC000661244854 1042024783 /nfs/dbraw/zinc/02/47/83/1042024783.db2.gz YVXHYPWAFNHKDD-QGZVFWFLSA-N 0 3 338.451 3.962 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)c(F)cc2Cl)CC1 ZINC000487359944 1042276068 /nfs/dbraw/zinc/27/60/68/1042276068.db2.gz UGSKSQCNKHEATI-UHFFFAOYSA-N 0 3 339.842 3.950 20 30 EHEDHN Cc1csc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1C#N ZINC000568763070 1042858024 /nfs/dbraw/zinc/85/80/24/1042858024.db2.gz CRBFVAYJYQCMAG-BBRMVZONSA-N 0 3 342.468 3.741 20 30 EHEDHN CC1(C)[C@H](C(F)(F)F)CCN1CCC(=O)Nc1sccc1C#N ZINC000330958849 1042933353 /nfs/dbraw/zinc/93/33/53/1042933353.db2.gz IQOGYDDXVTVRBL-LLVKDONJSA-N 0 3 345.390 3.611 20 30 EHEDHN Cn1cc(CNCc2cccc(C#N)c2)c(-c2cc3ccccc3o2)n1 ZINC000066971916 1042944384 /nfs/dbraw/zinc/94/43/84/1042944384.db2.gz PJVWRVYJXHABEK-UHFFFAOYSA-N 0 3 342.402 3.995 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C[C@@H]1CC=CCC1 ZINC000344066074 1043200891 /nfs/dbraw/zinc/20/08/91/1043200891.db2.gz PJHOAMMABCVQLX-DLBZAZTESA-N 0 3 343.446 3.749 20 30 EHEDHN C[C@H](N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(C#N)c1 ZINC000344312721 1043650445 /nfs/dbraw/zinc/65/04/45/1043650445.db2.gz XRWWUBAVBMYRLE-BBRMVZONSA-N 0 3 339.826 3.668 20 30 EHEDHN N#Cc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)s1 ZINC000279498207 1044142916 /nfs/dbraw/zinc/14/29/16/1044142916.db2.gz VSHBDDSCAPPNEQ-UHFFFAOYSA-N 0 3 326.469 3.532 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000179347251 1127058316 /nfs/dbraw/zinc/05/83/16/1127058316.db2.gz BNZUGCGUXLLHPV-OXQOHEQNSA-N 0 3 341.499 3.650 20 30 EHEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000623996647 1127229035 /nfs/dbraw/zinc/22/90/35/1127229035.db2.gz NEDTULIKFBWFMJ-VHSXEESVSA-N 0 3 334.204 3.705 20 30 EHEDHN N#Cc1cccc(NCC2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000301248367 1128580446 /nfs/dbraw/zinc/58/04/46/1128580446.db2.gz ACPUACZAZGLHQT-UHFFFAOYSA-N 0 3 340.858 3.931 20 30 EHEDHN N#Cc1cnc2ccccc2c1NC[C@H](c1ccco1)N1CCCC1 ZINC000301327188 1128584812 /nfs/dbraw/zinc/58/48/12/1128584812.db2.gz BMMZEABUTJMFBV-GOSISDBHSA-N 0 3 332.407 3.948 20 30 EHEDHN CN(C)[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000301484819 1128593595 /nfs/dbraw/zinc/59/35/95/1128593595.db2.gz VVUDVOJUEMUDLV-QGZVFWFLSA-N 0 3 344.802 3.835 20 30 EHEDHN CN(C)[C@H](CNc1nc2c(cc1C#N)CCCC2)c1ccc(F)cc1 ZINC000301880334 1128610268 /nfs/dbraw/zinc/61/02/68/1128610268.db2.gz JVUCOUZYQFJIOQ-LJQANCHMSA-N 0 3 338.430 3.686 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc(C#N)cc1Cl ZINC000302184086 1128624590 /nfs/dbraw/zinc/62/45/90/1128624590.db2.gz SGIFSELYVKKBCE-GUYCJALGSA-N 0 3 326.831 3.539 20 30 EHEDHN COC(=O)c1ccc(CNCc2ccc(-c3ccccc3C#N)cc2)[nH]1 ZINC000542849773 1128687262 /nfs/dbraw/zinc/68/72/62/1128687262.db2.gz FHUAZQJMFASCHR-UHFFFAOYSA-N 0 3 345.402 3.630 20 30 EHEDHN Cc1ccc([C@@H](CNc2cc(C#N)c3ccccc3n2)N2CCCC2)o1 ZINC000554804986 1128691329 /nfs/dbraw/zinc/69/13/29/1128691329.db2.gz OBOBDAXRCJIMTH-LJQANCHMSA-N 0 3 346.434 3.679 20 30 EHEDHN C=CCCC(C)(C)CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001687270645 1120123953 /nfs/dbraw/zinc/12/39/53/1120123953.db2.gz JAQGRGGTOYZCQV-UHFFFAOYSA-N 0 3 335.536 3.885 20 30 EHEDHN C#Cc1cccc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000174785883 1120559162 /nfs/dbraw/zinc/55/91/62/1120559162.db2.gz OVGPMOOEZRYQJH-SFHVURJKSA-N 0 3 347.462 3.796 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000494721206 1120744471 /nfs/dbraw/zinc/74/44/71/1120744471.db2.gz SPTHAUJFVKVQHA-RTBURBONSA-N 0 3 327.472 3.574 20 30 EHEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN(C)Cc1cc(C)ccc1C ZINC000762050667 1121067983 /nfs/dbraw/zinc/06/79/83/1121067983.db2.gz SMMLEJJIQFCJTL-UHFFFAOYSA-N 0 3 345.450 3.832 20 30 EHEDHN CC(C)C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000542557089 1121181848 /nfs/dbraw/zinc/18/18/48/1121181848.db2.gz RGUYKYMKWHVIRK-MRXNPFEDSA-N 0 3 327.453 3.935 20 30 EHEDHN CCN(CC)[C@H](C/N=C/c1c(O)cccc1OC)c1ccsc1 ZINC000915114079 1121199921 /nfs/dbraw/zinc/19/99/21/1121199921.db2.gz BVKIDUAUQCWHMT-YDDPGSGASA-N 0 3 332.469 3.964 20 30 EHEDHN N#Cc1ccc(CNC2CC(c3cccc(Br)c3)C2)nc1 ZINC000762619823 1121386125 /nfs/dbraw/zinc/38/61/25/1121386125.db2.gz FEUXVPOLFUFVOY-UHFFFAOYSA-N 0 3 342.240 3.752 20 30 EHEDHN C=CCN1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000171725856 1121519221 /nfs/dbraw/zinc/51/92/21/1121519221.db2.gz PQEWERFVZZFBPX-UHFFFAOYSA-N 0 3 348.490 3.975 20 30 EHEDHN CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1[O-] ZINC000272530236 1121676171 /nfs/dbraw/zinc/67/61/71/1121676171.db2.gz QUMPUAWSEFZBBK-OALUTQOASA-N 0 3 349.434 3.500 20 30 EHEDHN COc1ccccc1[C@@H](CNCc1csc(C#N)c1)OC(C)C ZINC000922006345 1129020533 /nfs/dbraw/zinc/02/05/33/1129020533.db2.gz GVLDOXHDJOPMIS-GOSISDBHSA-N 0 3 330.453 3.884 20 30 EHEDHN C#CC[C@H](CC(F)(F)F)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496148301 1121978979 /nfs/dbraw/zinc/97/89/79/1121978979.db2.gz SLIYQPQNSNXCEM-GXTWGEPZSA-N 0 3 340.345 3.638 20 30 EHEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917125186 1122518238 /nfs/dbraw/zinc/51/82/38/1122518238.db2.gz TVKULGUAYONWQX-CQSZACIVSA-N 0 3 327.453 3.737 20 30 EHEDHN C=CCC[C@@H](O)CN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000128556633 1122624113 /nfs/dbraw/zinc/62/41/13/1122624113.db2.gz UGBZJHCTWALOJN-UYAOXDASSA-N 0 3 329.415 3.840 20 30 EHEDHN C=CCN1CC[C@H](N[C@@H](c2oc3ccccc3c2C)C(C)C)C1=O ZINC000499609015 1129076140 /nfs/dbraw/zinc/07/61/40/1129076140.db2.gz WYKILBSXXLKYGJ-FUHWJXTLSA-N 0 3 326.440 3.815 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCSC(C)(C)C)c1 ZINC000155109756 1123185090 /nfs/dbraw/zinc/18/50/90/1123185090.db2.gz JVLHYWFZJLQXKI-HNNXBMFYSA-N 0 3 348.468 3.654 20 30 EHEDHN COc1cc(CN(C)CCCSCC#N)c(SC)cc1OC ZINC000074991396 1123354148 /nfs/dbraw/zinc/35/41/48/1123354148.db2.gz UKFGXDRWOSPKAD-UHFFFAOYSA-N 0 3 340.514 3.504 20 30 EHEDHN CCN1CCN(c2ccc(NCc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000075825839 1123428285 /nfs/dbraw/zinc/42/82/85/1123428285.db2.gz CUKQRTQAGWJRQW-UHFFFAOYSA-N 0 3 334.467 3.621 20 30 EHEDHN N#CC(C(=O)Nc1cccc(F)c1)c1nc2cc(F)ccc2s1 ZINC000609627540 1123628064 /nfs/dbraw/zinc/62/80/64/1123628064.db2.gz CBWQVFIJJFZMSU-GFCCVEGCSA-N 0 3 329.331 3.820 20 30 EHEDHN N#Cc1cc(NC[C@H](c2ccco2)N2CCCCC2)nc2ccccc12 ZINC000609893379 1123688650 /nfs/dbraw/zinc/68/86/50/1123688650.db2.gz BAOAVPBFRKTKBC-LJQANCHMSA-N 0 3 346.434 3.760 20 30 EHEDHN N#Cc1cc(CN2CCC[C@H](Cn3cnc4ccccc43)C2)ccc1F ZINC000616176479 1123957754 /nfs/dbraw/zinc/95/77/54/1123957754.db2.gz JFMZRTFFQKDHDU-KRWDZBQOSA-N 0 3 348.425 3.959 20 30 EHEDHN Cc1ccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000616177088 1123958092 /nfs/dbraw/zinc/95/80/92/1123958092.db2.gz LKHVAMFDRJHSFB-OAHLLOKOSA-N 0 3 334.404 3.759 20 30 EHEDHN N#Cc1ccc([C@H](O)CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC000763477505 1123999613 /nfs/dbraw/zinc/99/96/13/1123999613.db2.gz GJJMLFAIWLKMJQ-JOCHJYFZSA-N 0 3 343.430 3.862 20 30 EHEDHN COc1ccc(C#N)cc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181194602 1124632828 /nfs/dbraw/zinc/63/28/28/1124632828.db2.gz WUTWERGSKZMVHX-FXAWDEMLSA-N 0 3 336.435 3.824 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CNC1(c2cccc(Cl)c2)CCCC1 ZINC000181458622 1124854557 /nfs/dbraw/zinc/85/45/57/1124854557.db2.gz SBDJVVMGDWMRAX-GOSISDBHSA-N 0 3 347.890 3.753 20 30 EHEDHN COc1ccc(C2(NCc3ccc(C#N)c(C)c3)CCOCC2)cc1 ZINC000618194394 1125017258 /nfs/dbraw/zinc/01/72/58/1125017258.db2.gz DGDLEIXUAALUCS-UHFFFAOYSA-N 0 3 336.435 3.671 20 30 EHEDHN CC[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000618571995 1125120119 /nfs/dbraw/zinc/12/01/19/1125120119.db2.gz CSUSZCAMYRNQNF-RTBURBONSA-N 0 3 325.456 3.533 20 30 EHEDHN Cc1cc(CN2CCC(CC(=O)NC3CCCC3)CC2)ccc1C#N ZINC000618593458 1125120361 /nfs/dbraw/zinc/12/03/61/1125120361.db2.gz BHYAGMMNFDPHRE-UHFFFAOYSA-N 0 3 339.483 3.528 20 30 EHEDHN N#CCOc1ccc(Cl)cc1CN1CCc2ccccc2CC1 ZINC000735311316 1131335177 /nfs/dbraw/zinc/33/51/77/1131335177.db2.gz NSQURPIWXSDANA-UHFFFAOYSA-N 0 3 326.827 3.843 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)C(C)(C)CC3(C)C)CC1 ZINC001127705289 1125411206 /nfs/dbraw/zinc/41/12/06/1125411206.db2.gz HAULLXWBZCPZEP-UHFFFAOYSA-N 0 3 338.495 3.929 20 30 EHEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000543209214 1129343586 /nfs/dbraw/zinc/34/35/86/1129343586.db2.gz HDFRLLRMODZMAB-GOSISDBHSA-N 0 3 328.456 3.696 20 30 EHEDHN N#Cc1ccc(Br)c(CNCCC2SCCS2)c1 ZINC000922261744 1129411464 /nfs/dbraw/zinc/41/14/64/1129411464.db2.gz BOGVUYFJEDJSFW-UHFFFAOYSA-N 0 3 343.315 3.607 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466397803 1129419641 /nfs/dbraw/zinc/41/96/41/1129419641.db2.gz GBTINHVMMZRZQM-RBUKOAKNSA-N 0 3 329.488 3.647 20 30 EHEDHN C[C@@H]1c2ccccc2CCN1CCC(=O)Nc1sccc1C#N ZINC000170955832 1129451539 /nfs/dbraw/zinc/45/15/39/1129451539.db2.gz WVIHOQJCCTUWDN-CYBMUJFWSA-N 0 3 325.437 3.568 20 30 EHEDHN C=CCCO[C@H](C)C(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000347713759 1129471133 /nfs/dbraw/zinc/47/11/33/1129471133.db2.gz UFPKOKPJPKNWTK-NLWGTHIKSA-N 0 3 344.499 3.652 20 30 EHEDHN C#CCN(Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCc2ccccc21 ZINC000186753336 1129792379 /nfs/dbraw/zinc/79/23/79/1129792379.db2.gz RPIGZDBDMYLIDM-JOCHJYFZSA-N 0 3 344.458 3.718 20 30 EHEDHN N#CC(C(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccn1 ZINC000073970686 1129871395 /nfs/dbraw/zinc/87/13/95/1129871395.db2.gz DNYKGKAOXMRFKQ-CQSZACIVSA-N 0 3 335.338 3.685 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000172396047 1130129942 /nfs/dbraw/zinc/12/99/42/1130129942.db2.gz NPHJDOXPJNQGQX-DLBZAZTESA-N 0 3 339.483 3.590 20 30 EHEDHN Cn1cccc1[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000175123119 1130408758 /nfs/dbraw/zinc/40/87/58/1130408758.db2.gz JNMWTDLICBUMPT-INIZCTEOSA-N 0 3 342.468 3.514 20 30 EHEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000733053447 1130987014 /nfs/dbraw/zinc/98/70/14/1130987014.db2.gz NJUIMUQSXWPQCJ-KCXAZCMYSA-N 0 3 348.830 3.583 20 30 EHEDHN N#Cc1ccccc1NC(=S)Nc1cnccc1N1CCCCC1 ZINC000733087671 1130995297 /nfs/dbraw/zinc/99/52/97/1130995297.db2.gz WSJLAOJTUHGMSF-UHFFFAOYSA-N 0 3 337.452 3.752 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000733324384 1131025214 /nfs/dbraw/zinc/02/52/14/1131025214.db2.gz UWYGJEJEWKZKGI-UHFFFAOYSA-N 0 3 339.435 3.784 20 30 EHEDHN CCN(CCC#N)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172528199 1131755622 /nfs/dbraw/zinc/75/56/22/1131755622.db2.gz ONIFJIFOAMUJNH-UFYCRDLUSA-N 0 3 339.483 3.553 20 30 EHEDHN C=CCOC(=O)N1CCN([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172550415 1131767386 /nfs/dbraw/zinc/76/73/86/1131767386.db2.gz VXWLOFZRGFBZFD-MOPGFXCFSA-N 0 3 328.456 3.653 20 30 EHEDHN CCN(Cc1cccs1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989433 1131925633 /nfs/dbraw/zinc/92/56/33/1131925633.db2.gz GQSJSSZYLFYQIB-CABCVRRESA-N 0 3 349.500 3.862 20 30 EHEDHN CCN1CCN(c2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2)CC1 ZINC000743463131 1131925955 /nfs/dbraw/zinc/92/59/55/1131925955.db2.gz RBLMVRAGHQZZNB-QGZVFWFLSA-N 0 3 334.467 3.873 20 30 EHEDHN C[C@@H]1CC[C@H](N(C)Cc2cccc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001173077422 1131957222 /nfs/dbraw/zinc/95/72/22/1131957222.db2.gz QQQOCVBRLLCKRZ-QAPCUYQASA-N 0 3 343.471 3.778 20 30 EHEDHN Cc1cc(C(C#N)C(=O)C=Cc2cnc(C(C)(C)C)s2)nc(C)n1 ZINC000744025693 1132005641 /nfs/dbraw/zinc/00/56/41/1132005641.db2.gz GQKADQSIRYZJLC-LMVHVUTASA-N 0 3 340.452 3.737 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCC(F)(F)F ZINC000744027908 1132006423 /nfs/dbraw/zinc/00/64/23/1132006423.db2.gz CLGOHGXBTRQQSV-CYBMUJFWSA-N 0 3 340.345 3.801 20 30 EHEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000744032512 1132013638 /nfs/dbraw/zinc/01/36/38/1132013638.db2.gz GHBBCCJPEWFBBT-PMACEKPBSA-N 0 3 348.446 3.636 20 30 EHEDHN C=CCOC1CCC(NCc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC001173317345 1132059920 /nfs/dbraw/zinc/05/99/20/1132059920.db2.gz WKTWPNQFBFSCEC-UHFFFAOYSA-N 0 3 342.439 3.954 20 30 EHEDHN C=CCOC1CCC(NCc2nc(Br)cs2)CC1 ZINC001173318754 1132060974 /nfs/dbraw/zinc/06/09/74/1132060974.db2.gz KMWJEBFKBSEWBX-UHFFFAOYSA-N 0 3 331.279 3.509 20 30 EHEDHN C[C@@H]1CC(NCc2ccccc2C#N)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173676269 1132118660 /nfs/dbraw/zinc/11/86/60/1132118660.db2.gz MWPYIKSHWJJBHV-HUUCEWRRSA-N 0 3 343.471 3.824 20 30 EHEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000745991291 1132344742 /nfs/dbraw/zinc/34/47/42/1132344742.db2.gz VIKJNGPNAQSDRY-MJBXVCDLSA-N 0 3 327.453 3.593 20 30 EHEDHN C[C@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168815770 1132568961 /nfs/dbraw/zinc/56/89/61/1132568961.db2.gz IUXXKQJEJXQZGL-WMLDXEAASA-N 0 3 341.455 3.535 20 30 EHEDHN C=CCN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783513 1132856504 /nfs/dbraw/zinc/85/65/04/1132856504.db2.gz GHZFDTRBBUBTCM-OAQYLSRUSA-N 0 3 334.463 3.979 20 30 EHEDHN C#CCCCN1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000766903679 1132917194 /nfs/dbraw/zinc/91/71/94/1132917194.db2.gz VHINUOURRRIEKU-OAHLLOKOSA-N 0 3 335.289 3.541 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(=O)c1cccc(F)c1 ZINC000767431962 1133000665 /nfs/dbraw/zinc/00/06/65/1133000665.db2.gz CWTFXLGXNPDVLX-HNNXBMFYSA-N 0 3 349.365 3.552 20 30 EHEDHN C[C@@H](CNCc1cc(C#N)ccc1Br)Oc1ccccc1 ZINC001177884683 1133109176 /nfs/dbraw/zinc/10/91/76/1133109176.db2.gz HCSSWJMTUPNREF-ZDUSSCGKSA-N 0 3 345.240 3.878 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1nc(F)c(F)c(Cl)c1F ZINC001177909040 1133111269 /nfs/dbraw/zinc/11/12/69/1133111269.db2.gz QBFJQYCINAALBT-ZCFIWIBFSA-N 0 3 345.733 3.535 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(OCC)cc1O ZINC000768937482 1133206651 /nfs/dbraw/zinc/20/66/51/1133206651.db2.gz RQVOXEHIIALTKX-UHFFFAOYSA-N 0 3 327.424 3.988 20 30 EHEDHN C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OCC)cc1[O-] ZINC000768937482 1133206656 /nfs/dbraw/zinc/20/66/56/1133206656.db2.gz RQVOXEHIIALTKX-UHFFFAOYSA-N 0 3 327.424 3.988 20 30 EHEDHN C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OCC)cc1[O-] ZINC000768937482 1133206659 /nfs/dbraw/zinc/20/66/59/1133206659.db2.gz RQVOXEHIIALTKX-UHFFFAOYSA-N 0 3 327.424 3.988 20 30 EHEDHN C#C[C@H](N[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(Br)cc1 ZINC001182031157 1133564458 /nfs/dbraw/zinc/56/44/58/1133564458.db2.gz GLXDKDNEWGGQNZ-IXDOHACOSA-N 0 3 336.273 3.917 20 30 EHEDHN CCCCN(CC)[C@@H](C(=O)N1CCCC[C@@H]1C#N)c1ccccc1 ZINC001182232771 1133593730 /nfs/dbraw/zinc/59/37/30/1133593730.db2.gz FCJVGCOIIJHMJL-RTBURBONSA-N 0 3 327.472 3.754 20 30 EHEDHN CCCCN(CC)[C@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 ZINC001182236647 1133596718 /nfs/dbraw/zinc/59/67/18/1133596718.db2.gz ZWMIGPQCJVFULO-HKUYNNGSSA-N 0 3 327.472 3.612 20 30 EHEDHN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1cccc(C#N)c1F ZINC000774682332 1133857628 /nfs/dbraw/zinc/85/76/28/1133857628.db2.gz XEGNIPPVMJSMMW-IBGZPJMESA-N 0 3 349.450 3.726 20 30 EHEDHN N#CC(C(=O)CCC1CCCC1)C(=O)NCc1cccc(Cl)c1 ZINC000786530106 1133862149 /nfs/dbraw/zinc/86/21/49/1133862149.db2.gz FCNAQFKBBHXOIP-INIZCTEOSA-N 0 3 332.831 3.635 20 30 EHEDHN C[C@H](OC(=O)CCN1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000786815676 1133910253 /nfs/dbraw/zinc/91/02/53/1133910253.db2.gz HHIYVGFZCLDBQG-INIZCTEOSA-N 0 3 334.419 3.611 20 30 EHEDHN Cc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)ccc1C#N ZINC000774911038 1134118218 /nfs/dbraw/zinc/11/82/18/1134118218.db2.gz FPFCGWLCDULCET-QAPCUYQASA-N 0 3 343.471 3.744 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nc(Br)ccc1F ZINC000788799225 1134170508 /nfs/dbraw/zinc/17/05/08/1134170508.db2.gz CRBICIGVFHAGGY-HFAKWTLXSA-N 0 3 343.240 3.615 20 30 EHEDHN Cc1cc(Br)cc(CNCc2ccc(OCC#N)cc2)c1 ZINC000774991015 1134190034 /nfs/dbraw/zinc/19/00/34/1134190034.db2.gz MBWSRDILLKEXRD-UHFFFAOYSA-N 0 3 345.240 3.950 20 30 EHEDHN N#CC(C(=O)CCCOc1cccnc1)c1nccc2ccccc21 ZINC000792106370 1134650446 /nfs/dbraw/zinc/65/04/46/1134650446.db2.gz QJZMCMUPSZHRLL-GOSISDBHSA-N 0 3 331.375 3.665 20 30 EHEDHN C#CC[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000775400341 1134724924 /nfs/dbraw/zinc/72/49/24/1134724924.db2.gz ZFULXDVOBFEDCZ-OAQYLSRUSA-N 0 3 332.447 3.777 20 30 EHEDHN C#CC[C@@H](NC[C@H](O)COc1cccc2ccccc21)c1ccccc1 ZINC000775401420 1134729881 /nfs/dbraw/zinc/72/98/81/1134729881.db2.gz UCZINFBMTBGPLI-RBBKRZOGSA-N 0 3 345.442 3.934 20 30 EHEDHN CCCCCCCNC(=O)N1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001191104380 1134793077 /nfs/dbraw/zinc/79/30/77/1134793077.db2.gz BIDGDBHZVZSLTM-IRXDYDNUSA-N 0 3 327.488 3.565 20 30 EHEDHN CC[C@@]1(C)CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001191212572 1134818047 /nfs/dbraw/zinc/81/80/47/1134818047.db2.gz AWJAGCSDEGRMBS-NSPNGIHDSA-N 0 3 333.520 3.818 20 30 EHEDHN CCCCNC(=O)C1(NCc2cc(Cl)cc(C#N)c2)CCCCC1 ZINC001191831840 1134932962 /nfs/dbraw/zinc/93/29/62/1134932962.db2.gz NNUPDGXKTDUUMM-UHFFFAOYSA-N 0 3 347.890 3.920 20 30 EHEDHN OC[C@@H](C1CC1)N(CC#Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001192964309 1135084867 /nfs/dbraw/zinc/08/48/67/1135084867.db2.gz JIZYAKGNSAKCMC-NRFANRHFSA-N 0 3 339.866 3.965 20 30 EHEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCCC2(CCCC2)C1 ZINC001193516481 1135150224 /nfs/dbraw/zinc/15/02/24/1135150224.db2.gz BDWRUNUMSVULNN-WBTXTPOCSA-N 0 3 345.531 3.962 20 30 EHEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)C1 ZINC000805856253 1135340265 /nfs/dbraw/zinc/34/02/65/1135340265.db2.gz SLFCQRFFEORGHF-WGDNJCCTSA-N 0 3 342.439 3.663 20 30 EHEDHN C[C@H]1CN(C(=S)Nc2ccccc2C#N)CCN1C1CCCCC1 ZINC001196318596 1135545568 /nfs/dbraw/zinc/54/55/68/1135545568.db2.gz IXCSJOPCBPNDBP-HNNXBMFYSA-N 0 3 342.512 3.594 20 30 EHEDHN C=CC[C@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC001196443026 1135557733 /nfs/dbraw/zinc/55/77/33/1135557733.db2.gz SWXMQDTZUWBADJ-UWJYYQICSA-N 0 3 326.484 3.932 20 30 EHEDHN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1C ZINC001197622193 1135709672 /nfs/dbraw/zinc/70/96/72/1135709672.db2.gz SVSRTEMJUHESHK-LSDHHAIUSA-N 0 3 337.423 3.553 20 30 EHEDHN C#CC[C@@H]1CCN(Cc2nc3ccccc3n2-c2ccc(OC)cc2)C1 ZINC001197701235 1135727123 /nfs/dbraw/zinc/72/71/23/1135727123.db2.gz FZQYNFRPKMXJGC-QGZVFWFLSA-N 0 3 345.446 3.879 20 30 EHEDHN C#C[C@@H]1CCCCN1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC001198526738 1135827796 /nfs/dbraw/zinc/82/77/96/1135827796.db2.gz UULFNYWALFYHNE-MRXNPFEDSA-N 0 3 327.403 3.604 20 30 EHEDHN C#C[C@H]1CCCCN1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC001198526733 1135827948 /nfs/dbraw/zinc/82/79/48/1135827948.db2.gz UULFNYWALFYHNE-INIZCTEOSA-N 0 3 327.403 3.604 20 30 EHEDHN C#Cc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000809581284 1135853605 /nfs/dbraw/zinc/85/36/05/1135853605.db2.gz KQBZYHXEYFHJJI-UHFFFAOYSA-N 0 3 336.391 3.620 20 30 EHEDHN C#C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccncc1)C(C)C ZINC000809685377 1135871357 /nfs/dbraw/zinc/87/13/57/1135871357.db2.gz QCYQWZYHWCYACW-FQEVSTJZSA-N 0 3 330.435 3.682 20 30 EHEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCC(=O)N2 ZINC000810208873 1135943409 /nfs/dbraw/zinc/94/34/09/1135943409.db2.gz GZMKTOKPMBOYEG-XCLFUZPHSA-N 0 3 331.419 3.781 20 30 EHEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(N2CCOC2=O)cc1 ZINC000810212195 1135944155 /nfs/dbraw/zinc/94/41/55/1135944155.db2.gz NQBJUYINHQDBNX-VLIAUNLRSA-N 0 3 347.418 3.853 20 30 EHEDHN C=CCOCc1nn(CC2CC2)c2c1CN(C[C@H](C)CCC)CC2 ZINC001201541865 1136034437 /nfs/dbraw/zinc/03/44/37/1136034437.db2.gz HWDKDBOXUJONRB-MRXNPFEDSA-N 0 3 331.504 3.790 20 30 EHEDHN C=CCc1cc(OC)cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000811792650 1136141530 /nfs/dbraw/zinc/14/15/30/1136141530.db2.gz QKQNVABGQRZDJV-QUCCMNQESA-N 0 3 343.467 3.663 20 30 EHEDHN C#Cc1ccc(CNCc2cccc(I)c2)cc1 ZINC001202474476 1136172538 /nfs/dbraw/zinc/17/25/38/1136172538.db2.gz CQBSUDLESNRHDS-UHFFFAOYSA-N 0 3 347.199 3.562 20 30 EHEDHN CC(C)[C@@H](O)[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000850557234 1136285298 /nfs/dbraw/zinc/28/52/98/1136285298.db2.gz VKWNXJSLJJQVGC-ORYQWCPZSA-N 0 3 338.451 3.998 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCc4cc(F)ccc43)nc21 ZINC000850850277 1136311573 /nfs/dbraw/zinc/31/15/73/1136311573.db2.gz UANFAVGPUIYANR-JKSUJKDBSA-N 0 3 333.366 3.917 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CCc4cc(F)ccc43)[nH]c21 ZINC000850850277 1136311577 /nfs/dbraw/zinc/31/15/77/1136311577.db2.gz UANFAVGPUIYANR-JKSUJKDBSA-N 0 3 333.366 3.917 20 30 EHEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000852592410 1136468833 /nfs/dbraw/zinc/46/88/33/1136468833.db2.gz PBYFLVRAXJNKLZ-RBSFLKMASA-N 0 3 341.480 3.983 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000852685673 1136478096 /nfs/dbraw/zinc/47/80/96/1136478096.db2.gz IASSFCNHVGPVCY-FFZOFVMBSA-N 0 3 339.483 3.797 20 30 EHEDHN C#CCCN(CCOC)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000852751215 1136483853 /nfs/dbraw/zinc/48/38/53/1136483853.db2.gz TUNMRIALIJCFFJ-UHFFFAOYSA-N 0 3 332.444 3.505 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2oc(SC)cc2C)cc1 ZINC000853099898 1136509019 /nfs/dbraw/zinc/50/90/19/1136509019.db2.gz WJFRNUKMGANFOJ-AWEZNQCLSA-N 0 3 342.420 3.834 20 30 EHEDHN CN1CCCc2cc(C=NNCc3cccc4cccnc43)ccc21 ZINC000748033268 1136640931 /nfs/dbraw/zinc/64/09/31/1136640931.db2.gz HEUKFYLKGRCSQC-UHFFFAOYSA-N 0 3 330.435 3.741 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC2CCCC2)cc1 ZINC000114618311 1136813526 /nfs/dbraw/zinc/81/35/26/1136813526.db2.gz LUHYSQGHRJOLJF-DYVFJYSZSA-N 0 3 328.412 3.559 20 30 EHEDHN Cc1cccc(COCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000857028268 1136834427 /nfs/dbraw/zinc/83/44/27/1136834427.db2.gz BDBIMQIFKUMMIW-HNNXBMFYSA-N 0 3 348.324 3.802 20 30 EHEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2ncc(Cl)cn2)ccc1[O-] ZINC000857223399 1136855044 /nfs/dbraw/zinc/85/50/44/1136855044.db2.gz QLHJRLVFBFVUPJ-UHFFFAOYSA-N 0 3 347.850 3.514 20 30 EHEDHN C#CCN(C)CCCNC(=O)c1ccccc1Sc1ccccc1 ZINC000818584189 1136885085 /nfs/dbraw/zinc/88/50/85/1136885085.db2.gz GQFYDNKYROHSMY-UHFFFAOYSA-N 0 3 338.476 3.523 20 30 EHEDHN N#Cc1ccc([C@H](O)CN[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000819209895 1136925164 /nfs/dbraw/zinc/92/51/64/1136925164.db2.gz NMQBHJGQGMRTOV-QZTJIDSGSA-N 0 3 342.826 3.749 20 30 EHEDHN C#CCCCOc1cccnc1N1CCCN(Cc2ccccc2)CC1 ZINC000820611495 1136998461 /nfs/dbraw/zinc/99/84/61/1136998461.db2.gz WRDUUSAUDYBFHT-UHFFFAOYSA-N 0 3 349.478 3.586 20 30 EHEDHN Cc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000116592346 1137005627 /nfs/dbraw/zinc/00/56/27/1137005627.db2.gz ZDAUDSPIZSHKRI-QAPCUYQASA-N 0 3 326.440 3.646 20 30 EHEDHN Cc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1C#N ZINC000859195619 1137007246 /nfs/dbraw/zinc/00/72/46/1137007246.db2.gz SGXGYVLGPKRDCC-MAUKXSAKSA-N 0 3 343.471 3.602 20 30 EHEDHN CC(C)(C)OC(=O)NCCCN(CC1CCCC1)CC1(C#N)CC1 ZINC000805779249 1137050672 /nfs/dbraw/zinc/05/06/72/1137050672.db2.gz SFNARHYCCCEXAH-UHFFFAOYSA-N 0 3 335.492 3.697 20 30 EHEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1)C1CC1 ZINC000860472764 1137062050 /nfs/dbraw/zinc/06/20/50/1137062050.db2.gz NRMXFWHWVUQHPX-IRWQIABSSA-N 0 3 342.439 3.663 20 30 EHEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3ccc4c(c3)COC4)C2)cc1 ZINC001137030946 1137176429 /nfs/dbraw/zinc/17/64/29/1137176429.db2.gz UQIAAXOUEDEVOM-OAQYLSRUSA-N 0 3 334.419 3.632 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)c1sccc1CC#N)c1ccsc1 ZINC000864865863 1137249857 /nfs/dbraw/zinc/24/98/57/1137249857.db2.gz KAFPUUJQDNZAIF-OAHLLOKOSA-N 0 3 347.509 3.689 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(SC(F)(F)F)o2)CC1 ZINC000865194513 1137268020 /nfs/dbraw/zinc/26/80/20/1137268020.db2.gz XFFXWWWAFPMAFM-UHFFFAOYSA-N 0 3 348.390 3.662 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc3c(Cl)cccc3nc2C)CC1 ZINC000865194598 1137268113 /nfs/dbraw/zinc/26/81/13/1137268113.db2.gz ZWVALLCVMYITEF-UHFFFAOYSA-N 0 3 343.858 3.577 20 30 EHEDHN CC1(c2ccc(CNCc3ccc(C4(C#N)CC4)cc3)cc2)OCCO1 ZINC000865669188 1137303419 /nfs/dbraw/zinc/30/34/19/1137303419.db2.gz ZTLWLCRYHPUDGU-UHFFFAOYSA-N 0 3 348.446 3.751 20 30 EHEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1cscc1Br)C2 ZINC000865849104 1137316304 /nfs/dbraw/zinc/31/63/04/1137316304.db2.gz XZFSEJBWTRFNQW-AWEZNQCLSA-N 0 3 333.254 3.639 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC001171203186 1137324231 /nfs/dbraw/zinc/32/42/31/1137324231.db2.gz KLGLATPQOFXCHE-MRXNPFEDSA-N 0 3 339.870 3.965 20 30 EHEDHN CCn1cc(CN(Cc2ccc(N(C)CCC#N)cc2)C(C)C)cn1 ZINC000846054744 1137330915 /nfs/dbraw/zinc/33/09/15/1137330915.db2.gz FLHPKDNZMWSQHE-UHFFFAOYSA-N 0 3 339.487 3.663 20 30 EHEDHN CC(C)(C)OC(=O)NCc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(F)c1 ZINC000846060534 1137331868 /nfs/dbraw/zinc/33/18/68/1137331868.db2.gz OYYNMXAMQXEMHA-BBRMVZONSA-N 0 3 347.434 3.632 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@H](N[C@@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000846062084 1137332193 /nfs/dbraw/zinc/33/21/93/1137332193.db2.gz XOTBSBQMLPQVOI-USXIJHARSA-N 0 3 341.455 3.635 20 30 EHEDHN C[C@@H](NCc1ccc(C2(C)OCCO2)cc1)c1ccc(C#N)c(F)c1 ZINC000866422763 1137353742 /nfs/dbraw/zinc/35/37/42/1137353742.db2.gz RNLOUBMGZYHLHL-CQSZACIVSA-N 0 3 340.398 3.768 20 30 EHEDHN COC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(Br)c1 ZINC000866597436 1137367734 /nfs/dbraw/zinc/36/77/34/1137367734.db2.gz SMWNDSQGJLRGAB-MAZHCROVSA-N 0 3 337.261 3.809 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cccc(OCc3ccccc3)c2)CC1 ZINC000870046934 1137476055 /nfs/dbraw/zinc/47/60/55/1137476055.db2.gz SWGMRWCMMCCAIR-UHFFFAOYSA-N 0 3 348.446 3.549 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCC(=O)c1ccc(C(F)(F)F)cc1 ZINC001172301790 1137545065 /nfs/dbraw/zinc/54/50/65/1137545065.db2.gz WRKWNILQHSBNJQ-ZDUSSCGKSA-N 0 3 346.352 3.981 20 30 EHEDHN Cc1cccc(C)c1N1CCN([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312575 1137546228 /nfs/dbraw/zinc/54/62/28/1137546228.db2.gz HERLVUYVMQVRAX-LJQANCHMSA-N 0 3 333.479 3.928 20 30 EHEDHN CCOc1ccc(N2CCN([C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172312047 1137546257 /nfs/dbraw/zinc/54/62/57/1137546257.db2.gz DQMVNDKZAAVCGL-SFHVURJKSA-N 0 3 349.478 3.710 20 30 EHEDHN C[C@H](NCCOC(F)(F)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000872110426 1137571747 /nfs/dbraw/zinc/57/17/47/1137571747.db2.gz HXWKKRZYFSUFGL-QMMMGPOBSA-N 0 3 326.240 3.520 20 30 EHEDHN CO[C@]12CCC[C@@]1(C(=O)C(C#N)c1ncc(C(C)(C)C)s1)CCO2 ZINC000873527521 1137601706 /nfs/dbraw/zinc/60/17/06/1137601706.db2.gz GUYGUCSJFSDWDH-IGNZVWTISA-N 0 3 348.468 3.550 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000876585853 1137656434 /nfs/dbraw/zinc/65/64/34/1137656434.db2.gz XVBOFIJBLJXWFD-SFHVURJKSA-N 0 3 328.843 3.801 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000876675837 1137658818 /nfs/dbraw/zinc/65/88/18/1137658818.db2.gz FSVGUQZIWOTRHB-ZDUSSCGKSA-N 0 3 332.835 3.560 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000876705275 1137659458 /nfs/dbraw/zinc/65/94/58/1137659458.db2.gz XOEKKJKJDWHQNV-OTYXRUKQSA-N 0 3 347.673 3.909 20 30 EHEDHN C[C@H](NCc1cc(C#N)cnc1Cl)[C@H]1Oc2ccccc2[C@@H]1C ZINC000877076720 1137669607 /nfs/dbraw/zinc/66/96/07/1137669607.db2.gz PSJISKLSWBFILV-PRXAMGSTSA-N 0 3 327.815 3.649 20 30 EHEDHN Cc1cnc(C2CCN(Cc3cc(C#N)ccc3N(C)C)CC2)s1 ZINC000877478578 1137677799 /nfs/dbraw/zinc/67/77/99/1137677799.db2.gz OJQIVNKTNMCTFK-UHFFFAOYSA-N 0 3 340.496 3.769 20 30 EHEDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877591177 1137682378 /nfs/dbraw/zinc/68/23/78/1137682378.db2.gz AYHFJVNOLDHFET-CQSZACIVSA-N 0 3 342.874 3.702 20 30 EHEDHN C#CCCOc1ccc(CN2CC[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877674287 1137685406 /nfs/dbraw/zinc/68/54/06/1137685406.db2.gz SWFPJHWTTNWZQM-IRLDBZIGSA-N 0 3 335.447 3.787 20 30 EHEDHN CCSCC[C@H](C)N(C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878262509 1137709006 /nfs/dbraw/zinc/70/90/06/1137709006.db2.gz RWQWKSSIYKNAKG-LPHOPBHVSA-N 0 3 332.513 3.891 20 30 EHEDHN N#CCOc1ccc(CN2CCC(c3ccc(F)cn3)CC2)cc1 ZINC000879005227 1137735005 /nfs/dbraw/zinc/73/50/05/1137735005.db2.gz TWYOTYJNFNROQS-UHFFFAOYSA-N 0 3 325.387 3.503 20 30 EHEDHN CC(C)(C)c1csc(CC2(O)CCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000879614031 1137752446 /nfs/dbraw/zinc/75/24/46/1137752446.db2.gz XCEHZWOOJBDJTI-HUUCEWRRSA-N 0 3 347.528 3.502 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651035 1137753736 /nfs/dbraw/zinc/75/37/36/1137753736.db2.gz FFYNQEBDHYHIKJ-LSDHHAIUSA-N 0 3 344.480 3.708 20 30 EHEDHN C[C@@H]1c2sccc2CCN1CCC(=O)Nc1ccccc1C#N ZINC000880377720 1137777088 /nfs/dbraw/zinc/77/70/88/1137777088.db2.gz CVHKZIAEEVMZPG-CYBMUJFWSA-N 0 3 325.437 3.568 20 30 EHEDHN C#CCC1(O)CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000880478755 1137779869 /nfs/dbraw/zinc/77/98/69/1137779869.db2.gz FLDVMGSCUSUUOZ-UHFFFAOYSA-N 0 3 335.447 3.616 20 30 EHEDHN CCN(Cc1ccccc1)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131011977 1137845140 /nfs/dbraw/zinc/84/51/40/1137845140.db2.gz UPENFDCJGFCBTD-UHFFFAOYSA-N 0 3 331.423 3.605 20 30 EHEDHN N#Cc1cc(CNC[C@H](O)c2c(Cl)cccc2Cl)cs1 ZINC001202579791 1137881996 /nfs/dbraw/zinc/88/19/96/1137881996.db2.gz RDCXJZOCXCIVJN-ZDUSSCGKSA-N 0 3 327.236 3.750 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccccc2C)CC1 ZINC000106275911 1137883230 /nfs/dbraw/zinc/88/32/30/1137883230.db2.gz IUIZKBHCLAKXOF-UHFFFAOYSA-N 0 3 329.488 3.567 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000115678839 1137922911 /nfs/dbraw/zinc/92/29/11/1137922911.db2.gz SOTVYXSCPPTRKD-HKUYNNGSSA-N 0 3 341.499 3.615 20 30 EHEDHN C[C@@H](NC[C@@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1F ZINC000348323065 1137952506 /nfs/dbraw/zinc/95/25/06/1137952506.db2.gz JCPMZWUYJPNQRI-OCCSQVGLSA-N 0 3 332.806 3.777 20 30 EHEDHN C#CCC1(NCc2cc(Cl)ccc2Br)CCOCC1 ZINC000886381838 1138072784 /nfs/dbraw/zinc/07/27/84/1138072784.db2.gz UPLUCSGXYRKXDK-UHFFFAOYSA-N 0 3 342.664 3.765 20 30 EHEDHN C#CCN(C(=O)c1cccc(Oc2ccccc2)c1)C1CCN(C)CC1 ZINC000886589198 1138099969 /nfs/dbraw/zinc/09/99/69/1138099969.db2.gz MRTXFKCLSSXCIF-UHFFFAOYSA-N 0 3 348.446 3.649 20 30 EHEDHN C#CCC1(NCc2nc(-c3c(F)cccc3F)cs2)CCOCC1 ZINC000887123309 1138218843 /nfs/dbraw/zinc/21/88/43/1138218843.db2.gz JAYXNZRTLZJSCX-UHFFFAOYSA-N 0 3 348.418 3.750 20 30 EHEDHN CCN1CCN(c2ccc(NCC(C)(C)CCC#N)c(C)c2)CC1 ZINC000092117572 1138224967 /nfs/dbraw/zinc/22/49/67/1138224967.db2.gz VPZLUXUZCGXGPE-UHFFFAOYSA-N 0 3 328.504 3.879 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 ZINC000263798361 1138368823 /nfs/dbraw/zinc/36/88/23/1138368823.db2.gz RLUWMFYSLZIJEO-UHFFFAOYSA-N 0 3 330.497 3.861 20 30 EHEDHN C=CCN1CC[C@H](N[C@@H](CCC)c2cccc(C(F)(F)F)c2)C1=O ZINC000337175622 1138486005 /nfs/dbraw/zinc/48/60/05/1138486005.db2.gz IEGBHNTZEYVBHG-HOTGVXAUSA-N 0 3 340.389 3.923 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000264431845 1138513403 /nfs/dbraw/zinc/51/34/03/1138513403.db2.gz XJVYRCVCYGNOGM-UHFFFAOYSA-N 0 3 337.851 3.511 20 30 EHEDHN C[C@@H](NC[C@@H]1COC2(CCCCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000777315233 1139574970 /nfs/dbraw/zinc/57/49/70/1139574970.db2.gz OJYHKGNJDBSARZ-RHSMWYFYSA-N 0 3 332.419 3.814 20 30 EHEDHN CCN1CCN(c2ccc(NCc3ccc(C#N)s3)c(C)c2)CC1 ZINC000176952055 1139589433 /nfs/dbraw/zinc/58/94/33/1139589433.db2.gz JYVJZMFTPMPKKI-UHFFFAOYSA-N 0 3 340.496 3.682 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1cc2ccccc2s1 ZINC000184383273 1140099612 /nfs/dbraw/zinc/09/96/12/1140099612.db2.gz YVYWWKHZCTWDDC-KGLIPLIRSA-N 0 3 329.469 3.560 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000188278688 1140289774 /nfs/dbraw/zinc/28/97/74/1140289774.db2.gz XBNAUSFCBCXYKT-LBPRGKRZSA-N 0 3 339.266 3.516 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192747922 1140549204 /nfs/dbraw/zinc/54/92/04/1140549204.db2.gz MUBNHDSHVPMYNG-HBFSDRIKSA-N 0 3 344.499 3.557 20 30 EHEDHN COc1ccc([C@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)C2CC2)cc1 ZINC000193347166 1140572621 /nfs/dbraw/zinc/57/26/21/1140572621.db2.gz FBEDFXJGWXJPAL-VBKZILBWSA-N 0 3 349.434 3.635 20 30 EHEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000270172738 1141187467 /nfs/dbraw/zinc/18/74/67/1141187467.db2.gz VTMGOBKGZIJLEW-VOIUYBSRSA-N 0 3 341.476 3.677 20 30 EHEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000270172734 1141187753 /nfs/dbraw/zinc/18/77/53/1141187753.db2.gz VTMGOBKGZIJLEW-GYCJOSAFSA-N 0 3 341.476 3.677 20 30 EHEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000270172732 1141188095 /nfs/dbraw/zinc/18/80/95/1141188095.db2.gz VTMGOBKGZIJLEW-FYSMJZIKSA-N 0 3 341.476 3.677 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(OCC#N)cc1 ZINC000271494170 1141380446 /nfs/dbraw/zinc/38/04/46/1141380446.db2.gz PIJMIVAFOTVETJ-ZEUIUJOJSA-N 0 3 342.464 3.738 20 30 EHEDHN COc1ccc([C@@H](OC)[C@@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000271589420 1141403137 /nfs/dbraw/zinc/40/31/37/1141403137.db2.gz WOPZMIOWRNNVSX-YJYMSZOUSA-N 0 3 328.387 3.572 20 30 EHEDHN CN(Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCCOC1 ZINC000348712155 1141568989 /nfs/dbraw/zinc/56/89/89/1141568989.db2.gz TXFSYVFEFBKUKN-FQEVSTJZSA-N 0 3 336.435 3.748 20 30 EHEDHN CC[N@H+](CCCC(C)(C)C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821206792 945654278 /nfs/dbraw/zinc/65/42/78/945654278.db2.gz FLRLFGUBPZVLMM-AWEZNQCLSA-N 0 3 326.448 3.580 20 30 EHEDHN CC[N@@H+](CCCC(C)(C)C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821206792 945654284 /nfs/dbraw/zinc/65/42/84/945654284.db2.gz FLRLFGUBPZVLMM-AWEZNQCLSA-N 0 3 326.448 3.580 20 30 EHEDHN CC[N@H+](CCCC(C)(C)C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821206792 945654288 /nfs/dbraw/zinc/65/42/88/945654288.db2.gz FLRLFGUBPZVLMM-AWEZNQCLSA-N 0 3 326.448 3.580 20 30 EHEDHN CC[N@@H+](CCCC(C)(C)C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821206792 945654296 /nfs/dbraw/zinc/65/42/96/945654296.db2.gz FLRLFGUBPZVLMM-AWEZNQCLSA-N 0 3 326.448 3.580 20 30 EHEDHN O[C@@H](C[C@H]1CCCN1CC#Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000134776148 1015787997 /nfs/dbraw/zinc/78/79/97/1015787997.db2.gz XEPJEWDATIHWDJ-RTWAWAEBSA-N 0 3 341.401 3.904 20 30 EHEDHN C=CCCCCCCCCN1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001209443927 1016303838 /nfs/dbraw/zinc/30/38/38/1016303838.db2.gz IJBBWFBICDURTD-UHFFFAOYSA-N 0 3 338.536 3.862 20 30 EHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CCCCC1 ZINC000398193945 1016569766 /nfs/dbraw/zinc/56/97/66/1016569766.db2.gz SOKLPOUTKXPIQU-LJQANCHMSA-N 0 3 341.499 3.733 20 30 EHEDHN CCCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1OCC ZINC000905081767 1032334592 /nfs/dbraw/zinc/33/45/92/1032334592.db2.gz SIDFLPIRQVWGRE-NWFCWYBLSA-N 0 3 341.411 3.697 20 30 EHEDHN C[C@H](NC1CCC(C)(C#N)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000449258220 1032366282 /nfs/dbraw/zinc/36/62/82/1032366282.db2.gz LYQUEXLGOLPBDC-RTYYOJRZSA-N 0 3 328.391 3.999 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000248714019 1032379443 /nfs/dbraw/zinc/37/94/43/1032379443.db2.gz BQBSWOPPEOMBTI-FMKPAKJESA-N 0 3 331.847 3.507 20 30 EHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000248714031 1032379511 /nfs/dbraw/zinc/37/95/11/1032379511.db2.gz BQBSWOPPEOMBTI-YCPHGPKFSA-N 0 3 331.847 3.507 20 30 EHEDHN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594429456 1033365396 /nfs/dbraw/zinc/36/53/96/1033365396.db2.gz UKRMUMIWYPLZAM-XHDPSFHLSA-N 0 3 342.270 3.924 20 30 EHEDHN COC(=O)c1ccccc1-c1ccc(CNCC(C)(C)CC#N)o1 ZINC000459731958 1032437158 /nfs/dbraw/zinc/43/71/58/1032437158.db2.gz NYLWRHKPQDSJQG-UHFFFAOYSA-N 0 3 326.396 3.763 20 30 EHEDHN CCO[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C12CCC2 ZINC000537308464 1032615244 /nfs/dbraw/zinc/61/52/44/1032615244.db2.gz RNQSVIPHJQMGSJ-DLBZAZTESA-N 0 3 337.385 3.994 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1F ZINC000593065557 1032666038 /nfs/dbraw/zinc/66/60/38/1032666038.db2.gz XRYYSSKIKVLORQ-HNNXBMFYSA-N 0 3 331.416 3.828 20 30 EHEDHN N#Cc1ccc(CNCCOc2cccc(Br)c2)s1 ZINC000176953356 1017538854 /nfs/dbraw/zinc/53/88/54/1017538854.db2.gz SSOQHDQPGQGQRB-UHFFFAOYSA-N 0 3 337.242 3.551 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000275711265 1018215276 /nfs/dbraw/zinc/21/52/76/1018215276.db2.gz RQESKIJAPWKFDN-INIZCTEOSA-N 0 3 339.483 3.780 20 30 EHEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)c(F)c(C)c1)C2 ZINC001143379726 1018248767 /nfs/dbraw/zinc/24/87/67/1018248767.db2.gz VHEGGJWLOJKDLS-AZUAARDMSA-N 0 3 333.447 3.769 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000594004988 1032758129 /nfs/dbraw/zinc/75/81/29/1032758129.db2.gz RULFQDOZHZERII-CBGDNZLLSA-N 0 3 349.478 3.544 20 30 EHEDHN C=CCCCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000472862190 1018361251 /nfs/dbraw/zinc/36/12/51/1018361251.db2.gz YAYMOYOOJCWWEH-SFHVURJKSA-N 0 3 329.488 3.649 20 30 EHEDHN C=CC[C@H](C)NCc1c(F)ccc(I)c1F ZINC000309756666 1018577455 /nfs/dbraw/zinc/57/74/55/1018577455.db2.gz LRJBMCDZHIFWGG-QMMMGPOBSA-N 0 3 337.151 3.624 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1-c1ccccc1 ZINC000580278532 1018907756 /nfs/dbraw/zinc/90/77/56/1018907756.db2.gz HKFGGWRISPBJIZ-UXHICEINSA-N 0 3 336.435 3.615 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000614395928 1018971547 /nfs/dbraw/zinc/97/15/47/1018971547.db2.gz BAZGIWGTFDXNRZ-IBGZPJMESA-N 0 3 334.419 3.975 20 30 EHEDHN Cc1ccccc1OCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000729032252 1019166488 /nfs/dbraw/zinc/16/64/88/1019166488.db2.gz ANKRIMFNUUBMBL-UHFFFAOYSA-N 0 3 336.435 3.789 20 30 EHEDHN N#Cc1ccc(OC2CCN(C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000729032284 1019167185 /nfs/dbraw/zinc/16/71/85/1019167185.db2.gz BSLZAXIIPUWXCI-ZDUSSCGKSA-N 0 3 325.239 3.595 20 30 EHEDHN CN(Cc1cc(C#N)cs1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000091932936 1019182002 /nfs/dbraw/zinc/18/20/02/1019182002.db2.gz VDMOQGUQCGDWTK-GOSISDBHSA-N 0 3 325.481 3.716 20 30 EHEDHN Cc1cc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc(C)c1C#N ZINC001125467015 1019900807 /nfs/dbraw/zinc/90/08/07/1019900807.db2.gz OZQCIIADZHGGBS-YLJYHZDGSA-N 0 3 347.462 3.740 20 30 EHEDHN N#Cc1ccccc1OCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000345247949 1020097449 /nfs/dbraw/zinc/09/74/49/1020097449.db2.gz VXGMEBWZKMAXDZ-KRWDZBQOSA-N 0 3 342.464 3.680 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)OCO3)s1 ZINC000430587614 1020806290 /nfs/dbraw/zinc/80/62/90/1020806290.db2.gz WQXQHDOKRZKLPF-LLVKDONJSA-N 0 3 328.393 3.659 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000610503723 1020847861 /nfs/dbraw/zinc/84/78/61/1020847861.db2.gz YBOXQZMBNGNMOW-UHFFFAOYSA-N 0 3 346.434 3.787 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3nccnc3c2)s1 ZINC000430598081 1020882641 /nfs/dbraw/zinc/88/26/41/1020882641.db2.gz NQNHSQPQDFROCU-GFCCVEGCSA-N 0 3 336.420 3.874 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccnc(OC2CCCC2)c1 ZINC000602508621 1032943931 /nfs/dbraw/zinc/94/39/31/1032943931.db2.gz CRVPYMVXEKDZEF-INIZCTEOSA-N 0 3 343.471 3.592 20 30 EHEDHN CC[C@H](CC#N)NCCCc1ccc(Br)cc1OC ZINC000581557014 1021086745 /nfs/dbraw/zinc/08/67/45/1021086745.db2.gz YTCNDUKEPVCRRS-CQSZACIVSA-N 0 3 325.250 3.672 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000614510746 1021235694 /nfs/dbraw/zinc/23/56/94/1021235694.db2.gz AJLSPSBOJZUBGE-OAHLLOKOSA-N 0 3 333.435 3.643 20 30 EHEDHN Cc1ccsc1[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507424855 1021257004 /nfs/dbraw/zinc/25/70/04/1021257004.db2.gz UTRFIYNQNRPYRB-WMLDXEAASA-N 0 3 339.464 3.774 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(Cl)c2F)CC1 ZINC000518513009 1021263127 /nfs/dbraw/zinc/26/31/27/1021263127.db2.gz LKOHKEFMCKRKIC-UHFFFAOYSA-N 0 3 325.815 3.641 20 30 EHEDHN C=C1CCC(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000897612672 1032978870 /nfs/dbraw/zinc/97/88/70/1032978870.db2.gz DBZHVSMZIZHQCT-UHFFFAOYSA-N 0 3 344.421 3.654 20 30 EHEDHN C[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1cccc(C#N)c1 ZINC000178177583 1021943378 /nfs/dbraw/zinc/94/33/78/1021943378.db2.gz LQZAKNUAOPEZTI-CABCVRRESA-N 0 3 335.407 3.927 20 30 EHEDHN Cc1cccc(CN(CC(=O)NC2(C#N)CCCCC2)CC(C)C)c1 ZINC000520173132 1021985496 /nfs/dbraw/zinc/98/54/96/1021985496.db2.gz NNYRZRCMSAKHBI-UHFFFAOYSA-N 0 3 341.499 3.796 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN(CC)Cc1cccs1 ZINC000060845621 1033030966 /nfs/dbraw/zinc/03/09/66/1033030966.db2.gz SRGYYDCSIWBVMY-KRWDZBQOSA-N 0 3 331.481 3.738 20 30 EHEDHN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000441358914 1022173787 /nfs/dbraw/zinc/17/37/87/1022173787.db2.gz OYGKXADPISKISE-IBGZPJMESA-N 0 3 341.499 3.591 20 30 EHEDHN COC1(CNCc2cccc(C#N)n2)CCC(c2ccccc2)CC1 ZINC000602656327 1033056002 /nfs/dbraw/zinc/05/60/02/1033056002.db2.gz SREFOWCLXPWJLV-UHFFFAOYSA-N 0 3 335.451 3.786 20 30 EHEDHN CCc1ccc([C@H](NCc2cnc3c(C#N)cnn3c2)C(C)C)cc1 ZINC000550153795 1022605220 /nfs/dbraw/zinc/60/52/20/1022605220.db2.gz YNJCBYZYNOFGOH-LJQANCHMSA-N 0 3 333.439 3.650 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCCn2nc(C)cc2C)c([O-])c1 ZINC000126775924 1022809132 /nfs/dbraw/zinc/80/91/32/1022809132.db2.gz SQJZXGGKOQKIOA-XSFVSMFZSA-N 0 3 328.460 3.561 20 30 EHEDHN C=CCC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000341922885 1023700045 /nfs/dbraw/zinc/70/00/45/1023700045.db2.gz ANQZIUMJVBDIJL-LJQANCHMSA-N 0 3 339.483 3.968 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000280819206 1023960050 /nfs/dbraw/zinc/96/00/50/1023960050.db2.gz NEXANHHXPYSMCK-VPWXQRGCSA-N 0 3 340.471 3.516 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000329885436 1024234393 /nfs/dbraw/zinc/23/43/93/1024234393.db2.gz URAOPIDNIFFUNX-HYVNUMGLSA-N 0 3 329.444 3.678 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000425128319 1024273031 /nfs/dbraw/zinc/27/30/31/1024273031.db2.gz KFZOWKMSMHLOEK-KRWDZBQOSA-N 0 3 347.462 3.987 20 30 EHEDHN COc1ccc(CN2CCS[C@H](C)CC2)cc1OCCCC#N ZINC000190693794 1024328535 /nfs/dbraw/zinc/32/85/35/1024328535.db2.gz PRNHKHYZWXITIR-OAHLLOKOSA-N 0 3 334.485 3.705 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000342198399 1024379923 /nfs/dbraw/zinc/37/99/23/1024379923.db2.gz VJVBJMPFLQZCNB-IBGZPJMESA-N 0 3 327.472 3.660 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000277313282 1024572465 /nfs/dbraw/zinc/57/24/65/1024572465.db2.gz SXJMTZBJZKKKEK-UHFFFAOYSA-N 0 3 345.245 3.903 20 30 EHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cccc(CC#N)c1 ZINC000281067424 1024615551 /nfs/dbraw/zinc/61/55/51/1024615551.db2.gz QMHVNGWZQJBYGB-TZIWHRDSSA-N 0 3 345.446 3.509 20 30 EHEDHN CC[C@@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000514709543 1024686512 /nfs/dbraw/zinc/68/65/12/1024686512.db2.gz SZGMCMWJPXJJLD-UXHICEINSA-N 0 3 339.483 3.923 20 30 EHEDHN CCCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC1CC1 ZINC000114724056 1024754247 /nfs/dbraw/zinc/75/42/47/1024754247.db2.gz RSPIGBVORXZGMX-OAHLLOKOSA-N 0 3 345.512 3.999 20 30 EHEDHN CCOc1cc(CNCc2ccc(SC)c(C#N)c2)ccc1O ZINC000895776320 1024819730 /nfs/dbraw/zinc/81/97/30/1024819730.db2.gz CBVXCBKXCHUUHL-UHFFFAOYSA-N 0 3 328.437 3.674 20 30 EHEDHN C=CCOc1cccc(CN2CC3(CC(OC)(OC)C3)[C@@H]2C(C)C)c1 ZINC000895996082 1025064704 /nfs/dbraw/zinc/06/47/04/1025064704.db2.gz OFYGIWVDELDCNZ-IBGZPJMESA-N 0 3 345.483 3.861 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000178542072 1025336942 /nfs/dbraw/zinc/33/69/42/1025336942.db2.gz OMDUQGYCKFKBNU-UHFFFAOYSA-N 0 3 342.468 3.524 20 30 EHEDHN COc1cc(CN[C@H](C)[C@H](OC)c2ccccc2F)ccc1C#N ZINC000281709065 1025377993 /nfs/dbraw/zinc/37/79/93/1025377993.db2.gz OIOONTOLZKDCDW-YJYMSZOUSA-N 0 3 328.387 3.572 20 30 EHEDHN N#C[C@H]1CC[C@H](NCc2cccc(NC(=O)c3cccc(F)c3)c2)C1 ZINC000442722642 1025455136 /nfs/dbraw/zinc/45/51/36/1025455136.db2.gz XVJCBRAQPMGSRL-KSSFIOAISA-N 0 3 337.398 3.860 20 30 EHEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000897990914 1033285251 /nfs/dbraw/zinc/28/52/51/1033285251.db2.gz GXTSBRALWWTSSJ-JXFKEZNVSA-N 0 3 335.451 3.596 20 30 EHEDHN Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000329031421 1025574537 /nfs/dbraw/zinc/57/45/37/1025574537.db2.gz PTCAULVLUNURQW-FSPWUOQZSA-N 0 3 341.455 3.839 20 30 EHEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3nccc4ccccc43)C2)nc1 ZINC000896653731 1025809072 /nfs/dbraw/zinc/80/90/72/1025809072.db2.gz FXFJIYMSENBCGS-GOSISDBHSA-N 0 3 343.434 3.578 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000522985508 1026022058 /nfs/dbraw/zinc/02/20/58/1026022058.db2.gz YUOCVROVVIIWEG-HNNXBMFYSA-N 0 3 341.455 3.786 20 30 EHEDHN CC(C)(C)c1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051652974 1026134432 /nfs/dbraw/zinc/13/44/32/1026134432.db2.gz OPBBRMFMMQNUFN-GOSISDBHSA-N 0 3 340.467 3.684 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000451683606 1026225848 /nfs/dbraw/zinc/22/58/48/1026225848.db2.gz SAMAHMULRQEBGN-MSOLQXFVSA-N 0 3 343.858 3.929 20 30 EHEDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000192951006 1026652831 /nfs/dbraw/zinc/65/28/31/1026652831.db2.gz CWASKPREKIGFMU-LSDHHAIUSA-N 0 3 337.423 3.959 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277715204 1026666839 /nfs/dbraw/zinc/66/68/39/1026666839.db2.gz IUTHORMZMZMSGF-ZBFHGGJFSA-N 0 3 340.389 3.623 20 30 EHEDHN COc1cccc(C2CCN(Cc3ccc(C#N)cc3OC)CC2)c1 ZINC000501211236 1027139677 /nfs/dbraw/zinc/13/96/77/1027139677.db2.gz RFMZHKCWOPEKSG-UHFFFAOYSA-N 0 3 336.435 3.955 20 30 EHEDHN C=CCC(CC=C)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000123308499 1027163574 /nfs/dbraw/zinc/16/35/74/1027163574.db2.gz VUUJPTZOXVGZAO-UHFFFAOYSA-N 0 3 341.499 3.531 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000419840008 1027211508 /nfs/dbraw/zinc/21/15/08/1027211508.db2.gz QXHCHNOXEVZTKL-ZDUSSCGKSA-N 0 3 329.425 3.695 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=CCC(C)(C)CC1 ZINC000455143274 1027743123 /nfs/dbraw/zinc/74/31/23/1027743123.db2.gz NZDQGDHNOKSJDQ-UHFFFAOYSA-N 0 3 339.483 3.585 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000178668943 1027785149 /nfs/dbraw/zinc/78/51/49/1027785149.db2.gz LLYZAMFIPIQPRE-UHFFFAOYSA-N 0 3 343.858 3.659 20 30 EHEDHN C=CC[C@H]1N(CC(=O)Nc2cccc(NC(C)=O)c2)CCCC1(C)C ZINC000444783442 1028280715 /nfs/dbraw/zinc/28/07/15/1028280715.db2.gz KZIHBZBVESVDOY-GOSISDBHSA-N 0 3 343.471 3.650 20 30 EHEDHN CN(C)C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000421360216 1028311010 /nfs/dbraw/zinc/31/10/10/1028311010.db2.gz YXIZDTDHVQETIK-SFHVURJKSA-N 0 3 331.822 3.743 20 30 EHEDHN C=C(C)COc1cc(CN2CC[C@@H](O)CC23CCC3)ccc1OC ZINC000421372420 1028331367 /nfs/dbraw/zinc/33/13/67/1028331367.db2.gz MJOOXXAGHAQEOK-QGZVFWFLSA-N 0 3 331.456 3.530 20 30 EHEDHN C=C(C)COc1cc(CN2CC[C@H](O)CC23CCC3)ccc1OC ZINC000421372419 1028331896 /nfs/dbraw/zinc/33/18/96/1028331896.db2.gz MJOOXXAGHAQEOK-KRWDZBQOSA-N 0 3 331.456 3.530 20 30 EHEDHN Cc1ccoc1CN(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429376158 1028354914 /nfs/dbraw/zinc/35/49/14/1028354914.db2.gz IYRJPRLXMPSNFJ-UHFFFAOYSA-N 0 3 331.803 3.574 20 30 EHEDHN N#Cc1ccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000105433265 1028649402 /nfs/dbraw/zinc/64/94/02/1028649402.db2.gz QQQLHOKDXZRKQU-UHFFFAOYSA-N 0 3 325.843 3.924 20 30 EHEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc(C(=O)OC)cc1 ZINC000340392843 1028697453 /nfs/dbraw/zinc/69/74/53/1028697453.db2.gz CIAGVFBQTTVMEX-GOSISDBHSA-N 0 3 338.407 3.594 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000424066889 1028772742 /nfs/dbraw/zinc/77/27/42/1028772742.db2.gz OGJIJKUTWFSJIA-QZTJIDSGSA-N 0 3 341.842 3.567 20 30 EHEDHN C=CCC(CC=C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000502880540 1028773846 /nfs/dbraw/zinc/77/38/46/1028773846.db2.gz PHYYLPMVGSEMOU-UHFFFAOYSA-N 0 3 341.499 3.924 20 30 EHEDHN CCCN(C(=O)[C@H](N)CCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000424102354 1028785412 /nfs/dbraw/zinc/78/54/12/1028785412.db2.gz LKTQPTJQRKAYHY-GDBMZVCRSA-N 0 3 327.428 3.754 20 30 EHEDHN CC(C)[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424116308 1028813120 /nfs/dbraw/zinc/81/31/20/1028813120.db2.gz XIOZPDVTNYRPJF-CABCVRRESA-N 0 3 341.377 3.540 20 30 EHEDHN C=C(C)C(C)(C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000424855866 1029391010 /nfs/dbraw/zinc/39/10/10/1029391010.db2.gz UEHMDBFFXPUHAZ-GOSISDBHSA-N 0 3 332.488 3.795 20 30 EHEDHN C[C@@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C(C)(C)C1 ZINC000347382255 1029422147 /nfs/dbraw/zinc/42/21/47/1029422147.db2.gz UUWIULCSBKTHBB-AWEZNQCLSA-N 0 3 333.863 3.707 20 30 EHEDHN CCc1nc(C)c([C@H](C)N(C)CCOc2ccc(C#N)cc2)s1 ZINC000121969132 1029573888 /nfs/dbraw/zinc/57/38/88/1029573888.db2.gz IMWFIIROAHXQFN-AWEZNQCLSA-N 0 3 329.469 3.957 20 30 EHEDHN N#Cc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1F ZINC000192163968 1029608140 /nfs/dbraw/zinc/60/81/40/1029608140.db2.gz XZDTZSCEWSLQHP-HXUWFJFHSA-N 0 3 338.382 3.709 20 30 EHEDHN CCN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC(C)C ZINC000347387429 1029720027 /nfs/dbraw/zinc/72/00/27/1029720027.db2.gz ZKCASNVKNMZGPG-UHFFFAOYSA-N 0 3 335.879 3.873 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(N3CCCC3)nc2)n1 ZINC000156455599 1029843014 /nfs/dbraw/zinc/84/30/14/1029843014.db2.gz JSMKASIVROVIQX-CQSZACIVSA-N 0 3 340.452 3.752 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455702351 1029849979 /nfs/dbraw/zinc/84/99/79/1029849979.db2.gz LDODVBYKYMPAQA-UHFFFAOYSA-N 0 3 346.862 3.568 20 30 EHEDHN Cc1cc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000453195357 1029893114 /nfs/dbraw/zinc/89/31/14/1029893114.db2.gz JQVPJZGXZQGDCN-KBXCAEBGSA-N 0 3 339.464 3.774 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cnc3ccc(C)cn23)c1 ZINC000156841374 1030045264 /nfs/dbraw/zinc/04/52/64/1030045264.db2.gz MOGOAJYDVKSHKT-SFHVURJKSA-N 0 3 334.423 3.614 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccco1 ZINC000343280009 1030072234 /nfs/dbraw/zinc/07/22/34/1030072234.db2.gz ZEZHULVCCKXETQ-DOMZBBRYSA-N 0 3 328.372 3.601 20 30 EHEDHN C=CCc1cc(CN(C)[C@H](CCO)c2ccccc2)cc(OC)c1O ZINC000093442489 1030610787 /nfs/dbraw/zinc/61/07/87/1030610787.db2.gz XSANHXQGZHNQKO-LJQANCHMSA-N 0 3 341.451 3.685 20 30 EHEDHN CN(CC#Cc1ccccc1)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000483581858 1031227876 /nfs/dbraw/zinc/22/78/76/1031227876.db2.gz NVMKWUSZRDXGKT-UHFFFAOYSA-N 0 3 329.447 3.993 20 30 EHEDHN CCOc1cccc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527811369 1031248227 /nfs/dbraw/zinc/24/82/27/1031248227.db2.gz MHUKPGJGACIWJC-UHFFFAOYSA-N 0 3 336.435 3.752 20 30 EHEDHN CC(C)N(CCC(=O)Nc1sccc1C#N)Cc1ccccc1F ZINC000343580521 1031488101 /nfs/dbraw/zinc/48/81/01/1031488101.db2.gz JXUSKMQOGHXSTI-UHFFFAOYSA-N 0 3 345.443 3.998 20 30 EHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H](n1cccn1)C(F)(F)F ZINC000527932481 1031496584 /nfs/dbraw/zinc/49/65/84/1031496584.db2.gz MUAQXATVLLLYCI-SJORKVTESA-N 0 3 348.372 3.915 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc3ccc(Cl)cc3n2)CC1 ZINC000084188111 1031599548 /nfs/dbraw/zinc/59/95/48/1031599548.db2.gz KOSPCHJQGGIXAE-UHFFFAOYSA-N 0 3 343.858 3.659 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000594370588 1033340103 /nfs/dbraw/zinc/34/01/03/1033340103.db2.gz BETSYZHFTRDWIM-AWEZNQCLSA-N 0 3 339.414 3.576 20 30 EHEDHN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594429455 1033365212 /nfs/dbraw/zinc/36/52/12/1033365212.db2.gz UKRMUMIWYPLZAM-NHYWBVRUSA-N 0 3 342.270 3.924 20 30 EHEDHN CN(C(=O)[C@@H](N)CCCCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000594432106 1033368252 /nfs/dbraw/zinc/36/82/52/1033368252.db2.gz XXTSKNSJTBGJAC-IBGZPJMESA-N 0 3 337.423 3.853 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000594431617 1033369764 /nfs/dbraw/zinc/36/97/64/1033369764.db2.gz OVSMZLODDZTFMK-QGZVFWFLSA-N 0 3 347.890 3.679 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000594437152 1033375836 /nfs/dbraw/zinc/37/58/36/1033375836.db2.gz LPELCFMXEJXLBL-IBGZPJMESA-N 0 3 337.423 3.615 20 30 EHEDHN CC(C)Cn1ccc2cc(NC(=O)[C@H](N)CCCCC#N)ccc21 ZINC000594438686 1033375982 /nfs/dbraw/zinc/37/59/82/1033375982.db2.gz PUATUZJITWBJGV-QGZVFWFLSA-N 0 3 326.444 3.647 20 30 EHEDHN C[C@@H](CNC(=O)[C@H](N)CCCCC#N)c1c(Cl)cccc1Cl ZINC000594440361 1033376089 /nfs/dbraw/zinc/37/60/89/1033376089.db2.gz YHHBGSIBOWKFDQ-SMDDNHRTSA-N 0 3 342.270 3.624 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000594446480 1033377318 /nfs/dbraw/zinc/37/73/18/1033377318.db2.gz UJDFEXHAFONOAQ-LJQANCHMSA-N 0 3 345.462 3.551 20 30 EHEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000594936605 1033585104 /nfs/dbraw/zinc/58/51/04/1033585104.db2.gz NHQVNGOFPBZERG-OWJWWREXSA-N 0 3 338.476 3.830 20 30 EHEDHN C=CCCSCCNCc1cnc(-c2ccccc2OC)nc1 ZINC000594960033 1033598530 /nfs/dbraw/zinc/59/85/30/1033598530.db2.gz IHJSSBIGKDCKQA-UHFFFAOYSA-N 0 3 329.469 3.551 20 30 EHEDHN C=CCOc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000594984723 1033618361 /nfs/dbraw/zinc/61/83/61/1033618361.db2.gz SHTNSHSUKRXBAX-UHFFFAOYSA-N 0 3 348.446 3.919 20 30 EHEDHN C=CCCC(C)(C)NCc1ncc(I)s1 ZINC000594998472 1033623873 /nfs/dbraw/zinc/62/38/73/1033623873.db2.gz HIKUVQDJHCMUDM-UHFFFAOYSA-N 0 3 336.242 3.582 20 30 EHEDHN C=CCOCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595078062 1033695633 /nfs/dbraw/zinc/69/56/33/1033695633.db2.gz SJHGDPKKNZFEEY-IBGZPJMESA-N 0 3 326.396 3.867 20 30 EHEDHN CCC(CC)CN(CCC#N)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595348779 1033736352 /nfs/dbraw/zinc/73/63/52/1033736352.db2.gz VHMBMASNIVFZGA-GOSISDBHSA-N 0 3 335.536 3.923 20 30 EHEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472349693 1033747673 /nfs/dbraw/zinc/74/76/73/1033747673.db2.gz SHNPBGUFYUVDDE-ZHALLVOQSA-N 0 3 347.462 3.838 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CCC[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000599259639 1033839638 /nfs/dbraw/zinc/83/96/38/1033839638.db2.gz PLTYJQPSXJMSKY-MSOLQXFVSA-N 0 3 348.874 3.548 20 30 EHEDHN C=CCn1cc(CN[C@@H](CC)Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000658037481 1033859298 /nfs/dbraw/zinc/85/92/98/1033859298.db2.gz GZAHMCZYTRUWRF-HNNXBMFYSA-N 0 3 338.377 3.594 20 30 EHEDHN COc1ccc(OCCCN2CCc3c(CC#N)cccc3C2)cc1 ZINC000599685567 1034112142 /nfs/dbraw/zinc/11/21/42/1034112142.db2.gz GQGNCXNPTJDBCS-UHFFFAOYSA-N 0 3 336.435 3.588 20 30 EHEDHN N#CCc1ccccc1CC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000761163999 1034148013 /nfs/dbraw/zinc/14/80/13/1034148013.db2.gz WUDLNTYNLSYTEO-NRFANRHFSA-N 0 3 348.446 3.503 20 30 EHEDHN C=C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C)o1)c1ccccc1 ZINC000119903741 1034269267 /nfs/dbraw/zinc/26/92/67/1034269267.db2.gz HKTZOJUWSCLQEP-GOSISDBHSA-N 0 3 340.467 3.838 20 30 EHEDHN Cn1ncc2c1CC(C)(C)CN(Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000596599841 1034314108 /nfs/dbraw/zinc/31/41/08/1034314108.db2.gz YLUPGVWJRVPPDL-UHFFFAOYSA-N 0 3 336.483 3.806 20 30 EHEDHN N#CC1(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCCCC1 ZINC000596675542 1034349609 /nfs/dbraw/zinc/34/96/09/1034349609.db2.gz WAQCYOPGUFYMQG-INIZCTEOSA-N 0 3 345.512 3.865 20 30 EHEDHN C[C@H](NC(=O)CC1(C#N)CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000597524168 1034796984 /nfs/dbraw/zinc/79/69/84/1034796984.db2.gz XXPBQRRFUFSHEH-LPHOPBHVSA-N 0 3 327.472 3.658 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ncc(C#N)cc2Cl)C1 ZINC000450812050 1034821878 /nfs/dbraw/zinc/82/18/78/1034821878.db2.gz PHGUVVOVUUNZFA-OAHLLOKOSA-N 0 3 340.858 3.565 20 30 EHEDHN N#CCC[C@H](C#N)CNCCc1c2ccccc2[nH]c1C(F)(F)F ZINC000601938682 1034842280 /nfs/dbraw/zinc/84/22/80/1034842280.db2.gz ZMOJHZACWWXCAU-GFCCVEGCSA-N 0 3 334.345 3.762 20 30 EHEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000892499341 1034985056 /nfs/dbraw/zinc/98/50/56/1034985056.db2.gz VLSMTHLIICHCMU-CYBMUJFWSA-N 0 3 334.778 3.873 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC(C)C)c(C)c2)CC1 ZINC000173734451 1035741562 /nfs/dbraw/zinc/74/15/62/1035741562.db2.gz CUCWNAUKUUDBFE-UHFFFAOYSA-N 0 3 345.487 3.944 20 30 EHEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@H](C)C2CC2)c1C#N ZINC000571827138 1035749054 /nfs/dbraw/zinc/74/90/54/1035749054.db2.gz BEAPMSONJJSONU-OAHLLOKOSA-N 0 3 342.487 3.761 20 30 EHEDHN CN(C)C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000588231463 1035827735 /nfs/dbraw/zinc/82/77/35/1035827735.db2.gz RUTFXQZMEXYZAY-RTWAWAEBSA-N 0 3 337.442 3.967 20 30 EHEDHN CCCOc1cccc(CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000572324980 1036065975 /nfs/dbraw/zinc/06/59/75/1036065975.db2.gz OYDNLYQSPSYEMJ-UHFFFAOYSA-N 0 3 338.451 3.996 20 30 EHEDHN CCN1CCN(c2ccccc2NCc2ccc(C#N)c(C)c2)CC1 ZINC000443999071 1036255241 /nfs/dbraw/zinc/25/52/41/1036255241.db2.gz SMRMCENHKNXAMP-UHFFFAOYSA-N 0 3 334.467 3.621 20 30 EHEDHN C#CCCCC(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC000192307429 1036495522 /nfs/dbraw/zinc/49/55/22/1036495522.db2.gz YENYNGMHCARIAI-UHFFFAOYSA-N 0 3 330.497 3.639 20 30 EHEDHN CC(C)Cc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000152458985 1036798090 /nfs/dbraw/zinc/79/80/90/1036798090.db2.gz DCVKMAUNAKTCJB-LJQANCHMSA-N 0 3 340.467 3.585 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccc(Cl)cc3)C2)c(F)c1 ZINC000539587443 1036955908 /nfs/dbraw/zinc/95/59/08/1036955908.db2.gz FVYUHZXOHICKLN-MRXNPFEDSA-N 0 3 329.806 3.719 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(CC(C)C)C2CC2)c1C ZINC000051735509 1036984870 /nfs/dbraw/zinc/98/48/70/1036984870.db2.gz HACOBJGNLZNDCJ-UHFFFAOYSA-N 0 3 327.472 3.671 20 30 EHEDHN C[C@@H]1CN(CC#Cc2ccc(F)cc2)[C@@H](C)CN1Cc1ccccc1 ZINC001168193620 1037190429 /nfs/dbraw/zinc/19/04/29/1037190429.db2.gz SGNZZGILUITHGU-RBUKOAKNSA-N 0 3 336.454 3.772 20 30 EHEDHN C=CCc1cc(CN2CCS[C@@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000539849738 1037278142 /nfs/dbraw/zinc/27/81/42/1037278142.db2.gz VXOKBDAFKJHGCG-FUHWJXTLSA-N 0 3 333.497 3.989 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000610969960 1037375804 /nfs/dbraw/zinc/37/58/04/1037375804.db2.gz CHHMUIICNRZFGL-NRFANRHFSA-N 0 3 347.462 3.824 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000491735656 1037644147 /nfs/dbraw/zinc/64/41/47/1037644147.db2.gz PARUEBVVCIAQSA-HNNXBMFYSA-N 0 3 338.426 3.501 20 30 EHEDHN C#C[C@@H](NC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000491778229 1037683762 /nfs/dbraw/zinc/68/37/62/1037683762.db2.gz FTHNGUCMNRUTQI-HXUWFJFHSA-N 0 3 339.870 3.664 20 30 EHEDHN C#C[C@H](NC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000491778227 1037684919 /nfs/dbraw/zinc/68/49/19/1037684919.db2.gz FTHNGUCMNRUTQI-FQEVSTJZSA-N 0 3 339.870 3.664 20 30 EHEDHN C#CCN(C)CCCNC(=S)Nc1c(Cl)ccc(C)c1Cl ZINC000491782394 1037688110 /nfs/dbraw/zinc/68/81/10/1037688110.db2.gz MEPILPAGJLRPTH-UHFFFAOYSA-N 0 3 344.311 3.543 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2COC(C)(C)C)CC1 ZINC000540218475 1037707470 /nfs/dbraw/zinc/70/74/70/1037707470.db2.gz GUXMECVQSNYOSE-UHFFFAOYSA-N 0 3 344.499 3.772 20 30 EHEDHN CC(C)(C#N)CCN[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000592144400 1037846641 /nfs/dbraw/zinc/84/66/41/1037846641.db2.gz BSMSEDWJRYDRRS-AWEZNQCLSA-N 0 3 330.350 3.538 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)C3(CCCCC3)C2)CC1 ZINC000463196582 1037860243 /nfs/dbraw/zinc/86/02/43/1037860243.db2.gz DJYHZEOEDYBJEM-KRWDZBQOSA-N 0 3 333.520 3.639 20 30 EHEDHN N#Cc1cc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)ccc1F ZINC000592177808 1037908041 /nfs/dbraw/zinc/90/80/41/1037908041.db2.gz SDYXVCITLRFDTJ-HXUWFJFHSA-N 0 3 336.410 3.857 20 30 EHEDHN COc1ccc2c(c1)OC[C@@H]2CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000760969335 1037956644 /nfs/dbraw/zinc/95/66/44/1037956644.db2.gz UDXXITBESXWPDL-WFASDCNBSA-N 0 3 348.358 3.579 20 30 EHEDHN C=C1CCC(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC1 ZINC001125872853 1038472438 /nfs/dbraw/zinc/47/24/38/1038472438.db2.gz XQQIEKUZEIHBSU-UHFFFAOYSA-N 0 3 334.891 3.977 20 30 EHEDHN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000329278329 1038566310 /nfs/dbraw/zinc/56/63/10/1038566310.db2.gz LYFJVXWZIMJPBS-DLBZAZTESA-N 0 3 329.444 3.507 20 30 EHEDHN Cc1ccccc1[C@H](C(C)C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000488809286 1039412184 /nfs/dbraw/zinc/41/21/84/1039412184.db2.gz XGSMKLMQRVULIH-PMACEKPBSA-N 0 3 329.488 3.678 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@@H]2CC[C@@H](C)C2)c1 ZINC000429586756 1039429044 /nfs/dbraw/zinc/42/90/44/1039429044.db2.gz CTJWYZZJYOHNOD-CRAIPNDOSA-N 0 3 327.472 3.671 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@H]2CC[C@@H](C)C2)c1 ZINC000429586758 1039429432 /nfs/dbraw/zinc/42/94/32/1039429432.db2.gz CTJWYZZJYOHNOD-QAPCUYQASA-N 0 3 327.472 3.671 20 30 EHEDHN C#CCN(C(=O)c1cc(C(C)C)nc2ccccc21)C1CCN(C)CC1 ZINC000906451971 1039574273 /nfs/dbraw/zinc/57/42/73/1039574273.db2.gz LLLMRFKNCPGOIE-UHFFFAOYSA-N 0 3 349.478 3.528 20 30 EHEDHN N#Cc1ccc(N2CCC[C@@H](N3CC[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000489179604 1039703508 /nfs/dbraw/zinc/70/35/08/1039703508.db2.gz ZIZZTWPCECMMPE-PZJWPPBQSA-N 0 3 345.446 3.543 20 30 EHEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000912464312 1039905642 /nfs/dbraw/zinc/90/56/42/1039905642.db2.gz RENXNSMPYNLXLG-CXAGYDPISA-N 0 3 343.496 3.979 20 30 EHEDHN Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(CN(C)C)cc1F ZINC000899162031 1040114113 /nfs/dbraw/zinc/11/41/13/1040114113.db2.gz UNYKZVBCVHMQTQ-UHFFFAOYSA-N 0 3 325.387 3.628 20 30 EHEDHN C=CCc1cc(CN2CCC([C@@H]3CCCCO3)CC2)cc(OC)c1O ZINC000668628098 1040205525 /nfs/dbraw/zinc/20/55/25/1040205525.db2.gz POEMDGZUXWZWHY-IBGZPJMESA-N 0 3 345.483 3.910 20 30 EHEDHN COc1cccc(O[C@@H](C)CN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512659338 1040438071 /nfs/dbraw/zinc/43/80/71/1040438071.db2.gz FXKJZCLXKVTMFZ-KBPBESRZSA-N 0 3 328.387 3.824 20 30 EHEDHN CC(C)CN(C(=O)CN[C@@H](CCCC#N)c1ccccc1)C1CC1 ZINC000433011037 1040445864 /nfs/dbraw/zinc/44/58/64/1040445864.db2.gz MMCUHSXPSGSPQW-IBGZPJMESA-N 0 3 327.472 3.658 20 30 EHEDHN C=C(CNC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000512660988 1040447838 /nfs/dbraw/zinc/44/78/38/1040447838.db2.gz PKNLVQRIVKROIO-UHFFFAOYSA-N 0 3 349.478 3.617 20 30 EHEDHN COc1cccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433018469 1040458924 /nfs/dbraw/zinc/45/89/24/1040458924.db2.gz HOGRROZHHPMTIU-LJQANCHMSA-N 0 3 337.423 3.658 20 30 EHEDHN COc1ccccc1O[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512669064 1040470696 /nfs/dbraw/zinc/47/06/96/1040470696.db2.gz YOHXDFYGPLNFKU-KBPBESRZSA-N 0 3 328.387 3.824 20 30 EHEDHN C[C@H]1Cc2ccccc2N1C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433030326 1040503256 /nfs/dbraw/zinc/50/32/56/1040503256.db2.gz JOKXEXFELSWELF-PXNSSMCTSA-N 0 3 347.462 3.989 20 30 EHEDHN C=CCc1cc(CN2CCC(OC3CCC3)CC2)cc(OC)c1O ZINC000418098306 1040581077 /nfs/dbraw/zinc/58/10/77/1040581077.db2.gz YBYYRHRLBBOQMB-UHFFFAOYSA-N 0 3 331.456 3.663 20 30 EHEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000487604745 1040986187 /nfs/dbraw/zinc/98/61/87/1040986187.db2.gz ZZXLIISIUADJMN-RTWAWAEBSA-N 0 3 334.463 3.737 20 30 EHEDHN CN(C)Cc1ccccc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000433299681 1041237919 /nfs/dbraw/zinc/23/79/19/1041237919.db2.gz CJJNTWBVIQWBEE-UHFFFAOYSA-N 0 3 337.423 3.683 20 30 EHEDHN CN(C)[C@H]1CCOc2c(Nc3ccc([N+](=O)[O-])cc3C#N)cccc21 ZINC000432138680 1041638344 /nfs/dbraw/zinc/63/83/44/1041638344.db2.gz MFODAIQUUGLSJG-KRWDZBQOSA-N 0 3 338.367 3.595 20 30 EHEDHN N#Cc1ccc2ncc(CN3CC[C@@H](c4ccc(Cl)cc4)C3)n2c1 ZINC000125374524 1041977506 /nfs/dbraw/zinc/97/75/06/1041977506.db2.gz YRSLMMNHNJQBDA-MRXNPFEDSA-N 0 3 336.826 3.849 20 30 EHEDHN C=CCN(CC(=O)NCc1ccccc1COC(C)C)C(C)(C)C ZINC000661756619 1042307397 /nfs/dbraw/zinc/30/73/97/1042307397.db2.gz STJKZBAZOLQVJN-UHFFFAOYSA-N 0 3 332.488 3.514 20 30 EHEDHN C=CCC1(NCc2nc3cc(S(=O)(=O)CC)ccc3o2)CCCC1 ZINC000661865629 1042374071 /nfs/dbraw/zinc/37/40/71/1042374071.db2.gz SAORPADXVRDUBP-UHFFFAOYSA-N 0 3 348.468 3.600 20 30 EHEDHN N#Cc1csc(CNCc2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC000343941934 1042897388 /nfs/dbraw/zinc/89/73/88/1042897388.db2.gz JEJVYANNTDJWGQ-UHFFFAOYSA-N 0 3 348.431 3.557 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C2CC2)C1 ZINC000344085574 1043224180 /nfs/dbraw/zinc/22/41/80/1043224180.db2.gz HMMAZRVDOCNWPD-DOTOQJQBSA-N 0 3 343.446 3.583 20 30 EHEDHN C[C@H](N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(C#N)c1 ZINC000344312724 1043651274 /nfs/dbraw/zinc/65/12/74/1043651274.db2.gz XRWWUBAVBMYRLE-XJKSGUPXSA-N 0 3 339.826 3.668 20 30 EHEDHN Cn1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000344605321 1044182879 /nfs/dbraw/zinc/18/28/79/1044182879.db2.gz SEHIYHMUSIMYKZ-UHFFFAOYSA-N 0 3 331.419 3.766 20 30 EHEDHN C=CCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000620723583 1125674605 /nfs/dbraw/zinc/67/46/05/1125674605.db2.gz NZEIKLGEADQYIV-HXUWFJFHSA-N 0 3 338.451 3.593 20 30 EHEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)c(Br)c1 ZINC001137804508 1127602592 /nfs/dbraw/zinc/60/25/92/1127602592.db2.gz REXFWKWZRISRPR-AWEZNQCLSA-N 0 3 338.270 3.532 20 30 EHEDHN COc1cccc([C@H]2[C@H](NCc3ccccc3C#N)CCN2C2CC2)c1 ZINC000338634367 1127941625 /nfs/dbraw/zinc/94/16/25/1127941625.db2.gz WTTJZLDAFPJFTR-YADHBBJMSA-N 0 3 347.462 3.634 20 30 EHEDHN Cc1cc(C#N)ccc1CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000186323950 1128391442 /nfs/dbraw/zinc/39/14/42/1128391442.db2.gz NOJILBFDOVZHAD-NRFANRHFSA-N 0 3 334.419 3.879 20 30 EHEDHN N#Cc1cccnc1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000301267404 1128580924 /nfs/dbraw/zinc/58/09/24/1128580924.db2.gz IPZPFTKAWXCDQG-INIZCTEOSA-N 0 3 346.356 3.658 20 30 EHEDHN CN(c1c(C#N)cccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000302902547 1128654675 /nfs/dbraw/zinc/65/46/75/1128654675.db2.gz UESHGSFTNHUNTB-FQEVSTJZSA-N 0 3 330.435 3.531 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000921743997 1128718197 /nfs/dbraw/zinc/71/81/97/1128718197.db2.gz UAWSVEOKZTWLRC-DNVCBOLYSA-N 0 3 336.435 3.981 20 30 EHEDHN C=CCOc1ccccc1CN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000194889454 1120868890 /nfs/dbraw/zinc/86/88/90/1120868890.db2.gz PFCSOKKBFZLBSD-MRXNPFEDSA-N 0 3 334.423 3.683 20 30 EHEDHN COc1cccc(O)c1/C=N\CC(C)(C)N1CCc2ccccc2C1 ZINC000914557141 1120895668 /nfs/dbraw/zinc/89/56/68/1120895668.db2.gz BQFHLPASGGUWPK-XKZIYDEJSA-N 0 3 338.451 3.657 20 30 EHEDHN CC[C@@H](C/N=C\c1cc(OC)ccc1O)N1CCc2ccccc2C1 ZINC000914702035 1120956245 /nfs/dbraw/zinc/95/62/45/1120956245.db2.gz VKRKFNAKJYECFD-CVHFWEDTSA-N 0 3 338.451 3.657 20 30 EHEDHN CN(C)/C=N/c1ccc(N[C@H](c2ccccn2)C(F)(F)F)cc1C#N ZINC001168484587 1121043566 /nfs/dbraw/zinc/04/35/66/1121043566.db2.gz BXKHFIPJJRAZFM-BRUSPLQXSA-N 0 3 347.344 3.890 20 30 EHEDHN N#CC(C(=O)CCc1cccnc1)c1nc2ccccc2n1C(F)F ZINC000915107104 1121197446 /nfs/dbraw/zinc/19/74/46/1121197446.db2.gz MKOZHZUPFYOHQV-ZDUSSCGKSA-N 0 3 340.333 3.635 20 30 EHEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(N2CCOC2=O)c1 ZINC000496047855 1121623275 /nfs/dbraw/zinc/62/32/75/1121623275.db2.gz XRUCHDXSJWBPSF-VLIAUNLRSA-N 0 3 347.418 3.853 20 30 EHEDHN N#Cc1ccc([C@H](O)CNCc2ccccc2OC2CCCC2)cc1 ZINC000763229796 1121914548 /nfs/dbraw/zinc/91/45/48/1121914548.db2.gz CIDZKHQMVFEXOE-HXUWFJFHSA-N 0 3 336.435 3.703 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000077512576 1129039509 /nfs/dbraw/zinc/03/95/09/1129039509.db2.gz GZNYLDDQLZOAFT-KRWDZBQOSA-N 0 3 348.450 3.687 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2CC2(C#N)CCC2)C1 ZINC000497036723 1122252569 /nfs/dbraw/zinc/25/25/69/1122252569.db2.gz IEHCXZQEXXHBID-IAGOWNOFSA-N 0 3 347.503 3.792 20 30 EHEDHN CN(CC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000497225378 1122382298 /nfs/dbraw/zinc/38/22/98/1122382298.db2.gz FKEGOJRIQAMUDK-XYPWUTKMSA-N 0 3 333.476 3.543 20 30 EHEDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1NCC1(C#N)CC1 ZINC000497287334 1122436230 /nfs/dbraw/zinc/43/62/30/1122436230.db2.gz VFRYIGIPKZKXDQ-YESZJQIVSA-N 0 3 347.503 3.838 20 30 EHEDHN CC[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000917103824 1122501247 /nfs/dbraw/zinc/50/12/47/1122501247.db2.gz RGDAUGBWUCKLTQ-UONOGXRCSA-N 0 3 327.453 3.595 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccc(OC)c2OC)c([O-])c1 ZINC000917559295 1122631803 /nfs/dbraw/zinc/63/18/03/1122631803.db2.gz KFYRHPKIZBKZDV-BKUYFWCQSA-N 0 3 342.439 3.875 20 30 EHEDHN CCOc1ccc(/C=N/C[C@H](c2ccc(F)cc2)N(C)C)c(O)c1 ZINC000917557787 1122637541 /nfs/dbraw/zinc/63/75/41/1122637541.db2.gz VNPSTTUENKHFEK-AGKWGAAGSA-N 0 3 330.403 3.652 20 30 EHEDHN CC[C@H](NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(C#N)cc1 ZINC000556078241 1122803407 /nfs/dbraw/zinc/80/34/07/1122803407.db2.gz HBECAFIUXHVSQP-KRWDZBQOSA-N 0 3 335.386 3.723 20 30 EHEDHN CC[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)c1ccc(C#N)cc1 ZINC000556078241 1122803412 /nfs/dbraw/zinc/80/34/12/1122803412.db2.gz HBECAFIUXHVSQP-KRWDZBQOSA-N 0 3 335.386 3.723 20 30 EHEDHN N#Cc1ccccc1SC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000556338275 1122934367 /nfs/dbraw/zinc/93/43/67/1122934367.db2.gz ZMRXQTKOZVTROL-LJQANCHMSA-N 0 3 338.476 3.941 20 30 EHEDHN CN(CCCCC1(C#N)CCC1)Cc1cn(C)nc1C(F)(F)F ZINC000930067781 1123021024 /nfs/dbraw/zinc/02/10/24/1123021024.db2.gz SQYUAUWJHQYFLD-UHFFFAOYSA-N 0 3 328.382 3.735 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1Cl ZINC000498978070 1123135567 /nfs/dbraw/zinc/13/55/67/1123135567.db2.gz JEIQJAXUASNYOD-LBPRGKRZSA-N 0 3 337.766 3.782 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(C(=O)OC)cc2)c([O-])c1 ZINC000920946280 1123441929 /nfs/dbraw/zinc/44/19/29/1123441929.db2.gz YYYVDLWNLLUTQN-STZFKDTASA-N 0 3 340.423 3.644 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)CC1 ZINC000921306591 1123515644 /nfs/dbraw/zinc/51/56/44/1123515644.db2.gz JMWQGTWAOVDDAF-OAQYLSRUSA-N 0 3 340.511 3.969 20 30 EHEDHN Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000610002957 1123710494 /nfs/dbraw/zinc/71/04/94/1123710494.db2.gz SNKMJGFHEGEPOC-LXGFNABISA-N 0 3 341.499 3.616 20 30 EHEDHN Cc1ccccc1[C@@H]1C[C@H](C)N([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000610002960 1123710617 /nfs/dbraw/zinc/71/06/17/1123710617.db2.gz SNKMJGFHEGEPOC-XKGFGPFHSA-N 0 3 341.499 3.616 20 30 EHEDHN CC1=CCC[C@H](C)[C@H]1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000615504126 1123813291 /nfs/dbraw/zinc/81/32/91/1123813291.db2.gz ILXPZDDBKLEJBZ-RDJZCZTQSA-N 0 3 340.471 3.538 20 30 EHEDHN C=CCOc1cccc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179738084 1123844842 /nfs/dbraw/zinc/84/48/42/1123844842.db2.gz OHOFJTBVDCGXMT-QGZVFWFLSA-N 0 3 346.471 3.598 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000179787971 1123858005 /nfs/dbraw/zinc/85/80/05/1123858005.db2.gz IHIFZLKMDXKWPH-GOSISDBHSA-N 0 3 343.377 3.906 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc(C2(C)OCCO2)c1 ZINC000922145460 1129153046 /nfs/dbraw/zinc/15/30/46/1129153046.db2.gz WOPDOEWKEXZTJE-UHFFFAOYSA-N 0 3 336.435 3.684 20 30 EHEDHN C=CCSc1nc2ccccc2n1CN1CCCOC(C)(C)C1 ZINC000735298487 1131328755 /nfs/dbraw/zinc/32/87/55/1131328755.db2.gz UHYQTTYDHOBHHE-UHFFFAOYSA-N 0 3 331.485 3.773 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000618742608 1125178905 /nfs/dbraw/zinc/17/89/05/1125178905.db2.gz ZXIARKVJEXPKKY-IFMALSPDSA-N 0 3 348.446 3.893 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182566694 1125331961 /nfs/dbraw/zinc/33/19/61/1125331961.db2.gz CCUSEKKIYUHALF-SFHVURJKSA-N 0 3 333.863 3.533 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182573069 1125332013 /nfs/dbraw/zinc/33/20/13/1125332013.db2.gz ISPKTSWRFRPSOB-MOPGFXCFSA-N 0 3 347.890 3.825 20 30 EHEDHN N#CCC1(CN[C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000619535338 1125362251 /nfs/dbraw/zinc/36/22/51/1125362251.db2.gz RDNGMNAIPHZZRI-HZPDHXFCSA-N 0 3 349.272 3.953 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000922250076 1129402211 /nfs/dbraw/zinc/40/22/11/1129402211.db2.gz OFXGFTXDOUUUFW-JKSUJKDBSA-N 0 3 335.492 3.743 20 30 EHEDHN CCOc1cccc(CN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000509129739 1129823766 /nfs/dbraw/zinc/82/37/66/1129823766.db2.gz YJGCAALNIXGKFW-UHFFFAOYSA-N 0 3 335.451 3.669 20 30 EHEDHN CC(C)[C@H](NCc1cccc(OCCCC#N)c1)c1cnn(C)c1 ZINC000922893894 1130203375 /nfs/dbraw/zinc/20/33/75/1130203375.db2.gz JNWKPUHZBXRIDT-IBGZPJMESA-N 0 3 326.444 3.590 20 30 EHEDHN C=CCC(CC=C)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000675151019 1130264183 /nfs/dbraw/zinc/26/41/83/1130264183.db2.gz YSNLGIPDVOQRDH-UHFFFAOYSA-N 0 3 326.484 3.798 20 30 EHEDHN C=CCC(CC=C)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000675159118 1130271181 /nfs/dbraw/zinc/27/11/81/1130271181.db2.gz CNCZYEYLFZFRHZ-GOSISDBHSA-N 0 3 326.484 3.878 20 30 EHEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(OC(C)C)cc2)CC1 ZINC000729942026 1130656796 /nfs/dbraw/zinc/65/67/96/1130656796.db2.gz FYZXIJLLWHSPGF-UHFFFAOYSA-N 0 3 347.528 3.801 20 30 EHEDHN Cc1nc(CC(=O)C(C#N)c2nc3cc(F)ccc3s2)cs1 ZINC000730416073 1130707118 /nfs/dbraw/zinc/70/71/18/1130707118.db2.gz AAFZBZWYGCXLMW-LLVKDONJSA-N 0 3 331.397 3.619 20 30 EHEDHN C#CCOc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000731013325 1130760335 /nfs/dbraw/zinc/76/03/35/1130760335.db2.gz MNSFSZKYHFFNQV-UHFFFAOYSA-N 0 3 334.419 3.547 20 30 EHEDHN C[C@@H]1CCC[C@@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000731213073 1130777875 /nfs/dbraw/zinc/77/78/75/1130777875.db2.gz HDMHPPACZIVMRT-MCIONIFRSA-N 0 3 327.453 3.735 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000733679306 1131066362 /nfs/dbraw/zinc/06/63/62/1131066362.db2.gz XPLPQDBGXZEJJG-VMGRFDJRSA-N 0 3 348.830 3.583 20 30 EHEDHN C#CCN(CCc1nc(-c2ccccc2)no1)[C@H]1CCc2ccccc21 ZINC000733897390 1131163348 /nfs/dbraw/zinc/16/33/48/1131163348.db2.gz DPCSHJZRWYNHGN-FQEVSTJZSA-N 0 3 343.430 3.902 20 30 EHEDHN C=CC[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccncc1 ZINC000734234435 1131211830 /nfs/dbraw/zinc/21/18/30/1131211830.db2.gz OBUJHXJEJLKIRB-HXUWFJFHSA-N 0 3 335.451 3.725 20 30 EHEDHN C=CCN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C(C)C ZINC000734280817 1131215176 /nfs/dbraw/zinc/21/51/76/1131215176.db2.gz RBTUAVUDTZESOY-IBGZPJMESA-N 0 3 329.488 3.820 20 30 EHEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(Cl)ccc2OCC#N)C1(C)C ZINC000740887067 1131553557 /nfs/dbraw/zinc/55/35/57/1131553557.db2.gz PMMSMADNETUEAC-IAGOWNOFSA-N 0 3 336.863 3.878 20 30 EHEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccnc3ccccc23)nc(C)n1 ZINC000741110548 1131576437 /nfs/dbraw/zinc/57/64/37/1131576437.db2.gz HHNDGJGAJIXAKM-ZPUOCTKUSA-N 0 3 328.375 3.531 20 30 EHEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741157332 1131581511 /nfs/dbraw/zinc/58/15/11/1131581511.db2.gz LTRUOVYOTBNOLT-KRWDZBQOSA-N 0 3 346.446 3.518 20 30 EHEDHN C[C@H](CCCC#N)N1CCN(c2cccc(Br)c2)CC1 ZINC001172503039 1131761496 /nfs/dbraw/zinc/76/14/96/1131761496.db2.gz XVGAPJXRRRXWGR-CQSZACIVSA-N 0 3 336.277 3.653 20 30 EHEDHN C[C@@H](Cc1ccc(F)cc1Cl)NC(=N)c1ccc(Cl)cn1 ZINC001172855612 1131873791 /nfs/dbraw/zinc/87/37/91/1131873791.db2.gz FGWXUBHGAYBDRU-VIFPVBQESA-N 0 3 326.202 3.864 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](NC2(c3ccccc3)CC2)C[C@H]1C#N ZINC001172972433 1131921324 /nfs/dbraw/zinc/92/13/24/1131921324.db2.gz YUHUXXPHHKWVNY-IRXDYDNUSA-N 0 3 341.455 3.557 20 30 EHEDHN Cc1nc(C)c(CN2CCC[C@@H](Oc3ccc(C#N)cc3)C2)s1 ZINC001206192170 1131993246 /nfs/dbraw/zinc/99/32/46/1131993246.db2.gz KXITUGCVYGTGJD-QGZVFWFLSA-N 0 3 327.453 3.675 20 30 EHEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000744028949 1132006851 /nfs/dbraw/zinc/00/68/51/1132006851.db2.gz PEJWCRJHHRBCGG-RYUDHWBXSA-N 0 3 330.771 3.693 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 ZINC000744032592 1132014030 /nfs/dbraw/zinc/01/40/30/1132014030.db2.gz MGALLHVLMSFXMK-GXSJLCMTSA-N 0 3 334.734 3.523 20 30 EHEDHN CC[C@H]1CN(C2CCC(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173338166 1132053503 /nfs/dbraw/zinc/05/35/03/1132053503.db2.gz AHLBUVRFXFYRLL-CGZBRXJRSA-N 0 3 335.492 3.790 20 30 EHEDHN CC(C)N(C)Cc1cnc2n1CCN(C1CCC(C)(C#N)CC1)[C@H]2C ZINC001173595285 1132099864 /nfs/dbraw/zinc/09/98/64/1132099864.db2.gz WHWSESXSCHALCZ-VXESANQCSA-N 0 3 343.519 3.572 20 30 EHEDHN N#Cc1cc(F)ccc1N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001175452507 1132686829 /nfs/dbraw/zinc/68/68/29/1132686829.db2.gz FRPNJZUHHVWOQK-UHFFFAOYSA-N 0 3 327.447 3.790 20 30 EHEDHN C=CCCN(C)CC(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC001169342253 1132731165 /nfs/dbraw/zinc/73/11/65/1132731165.db2.gz JJPKYBNTMKNPBF-UHFFFAOYSA-N 0 3 328.500 3.674 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc3nsnc32)c1 ZINC001177885300 1133109322 /nfs/dbraw/zinc/10/93/22/1133109322.db2.gz OQQOUMDHFFABOH-HNNXBMFYSA-N 0 3 338.436 3.662 20 30 EHEDHN CC[C@H](c1ccccc1)N1CCN(Cc2csc(C#N)c2)CC1 ZINC001204211633 1133137165 /nfs/dbraw/zinc/13/71/65/1133137165.db2.gz CLUMRSZOZNKUPX-LJQANCHMSA-N 0 3 325.481 3.889 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cc(OC)c(C)cc1O ZINC000768441596 1133139447 /nfs/dbraw/zinc/13/94/47/1133139447.db2.gz DUPCUCAXTXIQFI-UHFFFAOYSA-N 0 3 327.424 3.906 20 30 EHEDHN COc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1F ZINC000769979487 1133371660 /nfs/dbraw/zinc/37/16/60/1133371660.db2.gz FKTBFHYLFRCUNO-UHFFFAOYSA-N 0 3 339.414 3.782 20 30 EHEDHN FC(F)(F)c1ccccc1N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001181053449 1133444359 /nfs/dbraw/zinc/44/43/59/1133444359.db2.gz BECYOCLZRKZUFZ-KRWDZBQOSA-N 0 3 344.380 3.925 20 30 EHEDHN N#CC(C(=O)CCc1cccc2c1OCO2)c1ccc2ccccc2n1 ZINC000770843714 1133472086 /nfs/dbraw/zinc/47/20/86/1133472086.db2.gz VGIDCYRYSVKWMU-MRXNPFEDSA-N 0 3 344.370 3.773 20 30 EHEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCC#Cc1ccccc1 ZINC001181592231 1133502443 /nfs/dbraw/zinc/50/24/43/1133502443.db2.gz YRZJFYNUTNQBDK-ZHALLVOQSA-N 0 3 342.483 3.662 20 30 EHEDHN N#CCc1ccc(COC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000785716496 1133747273 /nfs/dbraw/zinc/74/72/73/1133747273.db2.gz YUUNFACXSFVGRT-UHFFFAOYSA-N 0 3 334.419 3.705 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@H](C)c2ccccc2)c1 ZINC000786540324 1133863882 /nfs/dbraw/zinc/86/38/82/1133863882.db2.gz LGISONMHVQJSET-PXNSSMCTSA-N 0 3 348.446 3.904 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCC2CCCC2)c1 ZINC000786549721 1133873452 /nfs/dbraw/zinc/87/34/52/1133873452.db2.gz SCLNZHUKIOHJAD-SFHVURJKSA-N 0 3 326.440 3.681 20 30 EHEDHN C#CC[C@@H](N[C@@H](C)c1ccc(N2CCNC2=O)cc1)c1ccccc1 ZINC000786870658 1133914927 /nfs/dbraw/zinc/91/49/27/1133914927.db2.gz KSXQSDXEBUYDOQ-OXJNMPFZSA-N 0 3 333.435 3.631 20 30 EHEDHN C=C(Br)CN[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000796651844 1133943070 /nfs/dbraw/zinc/94/30/70/1133943070.db2.gz BYNWIPSVANAUNK-RAIGVLPGSA-N 0 3 347.297 3.519 20 30 EHEDHN C#CCC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC000788460371 1134127919 /nfs/dbraw/zinc/12/79/19/1134127919.db2.gz QECPCNZJPCWXOV-UYAOXDASSA-N 0 3 338.495 3.597 20 30 EHEDHN N#Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)ccc1[O-] ZINC001186932779 1134272143 /nfs/dbraw/zinc/27/21/43/1134272143.db2.gz MLFQUOOSQHQCKR-UHFFFAOYSA-N 0 3 335.407 3.502 20 30 EHEDHN C#CCOc1ccccc1CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000789768382 1134328802 /nfs/dbraw/zinc/32/88/02/1134328802.db2.gz GAMOEJOWPKGIFU-UHFFFAOYSA-N 0 3 349.478 3.611 20 30 EHEDHN O=C(Nc1cccc(Cl)c1Cl)N1CCC2SC(=O)C=C2C1 ZINC001189208643 1134552809 /nfs/dbraw/zinc/55/28/09/1134552809.db2.gz DCOLCXSPGBIBQS-LLVKDONJSA-N 0 3 343.235 3.799 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccc(C)o2)cc1 ZINC000775227840 1134553994 /nfs/dbraw/zinc/55/39/94/1134553994.db2.gz QAHPYWGIXBDSTF-GOSISDBHSA-N 0 3 338.407 3.821 20 30 EHEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@]2(C)CCCN(C)C2)c1 ZINC001189284786 1134561169 /nfs/dbraw/zinc/56/11/69/1134561169.db2.gz BIUJAQRBIICHKK-HXUWFJFHSA-N 0 3 329.488 3.738 20 30 EHEDHN COc1ccc(C(=O)CNC2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001170355904 1134754053 /nfs/dbraw/zinc/75/40/53/1134754053.db2.gz SQUVQVOHTHDWCW-UHFFFAOYSA-N 0 3 348.446 3.872 20 30 EHEDHN N#CC1(c2ccccc2)CCC(NC(=N)c2ccc(Cl)cn2)CC1 ZINC001170361934 1134756488 /nfs/dbraw/zinc/75/64/88/1134756488.db2.gz KEBWCWSTOGZAIM-UHFFFAOYSA-N 0 3 338.842 3.844 20 30 EHEDHN CCCCCCCCNC(=O)N1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001191069536 1134786949 /nfs/dbraw/zinc/78/69/49/1134786949.db2.gz LRDTWVAMSMLQMF-IRXDYDNUSA-N 0 3 327.488 3.565 20 30 EHEDHN C#CCOc1ccc(CN2CCC(O)(Cc3cccc(C)c3)CC2)cc1 ZINC000793323615 1134904672 /nfs/dbraw/zinc/90/46/72/1134904672.db2.gz RCDJKNONQHBRPT-UHFFFAOYSA-N 0 3 349.474 3.577 20 30 EHEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)ccc2OC)C1(CC)CC ZINC001191820723 1134928996 /nfs/dbraw/zinc/92/89/96/1134928996.db2.gz HCTGPWOHNGSBAI-MOPGFXCFSA-N 0 3 330.472 3.982 20 30 EHEDHN CN(CCCN(C)c1nc2ccccc2cc1C#N)Cc1ccco1 ZINC000804841408 1135208098 /nfs/dbraw/zinc/20/80/98/1135208098.db2.gz TVEBQVIJHOTWLJ-UHFFFAOYSA-N 0 3 334.423 3.658 20 30 EHEDHN CC[C@@H]1C[C@@H](N2CC(CC#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170485111 1135302804 /nfs/dbraw/zinc/30/28/04/1135302804.db2.gz TVUVHTMDUNWAMB-BJWYYQGGSA-N 0 3 335.492 3.789 20 30 EHEDHN C#Cc1cccc(NC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000747294721 1135368937 /nfs/dbraw/zinc/36/89/37/1135368937.db2.gz XJOKKNONNYQYCE-OAQYLSRUSA-N 0 3 347.462 3.935 20 30 EHEDHN C[C@@H]1CCCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000775732916 1135592047 /nfs/dbraw/zinc/59/20/47/1135592047.db2.gz XQBQUNWMWPVLRB-ZIAGYGMSSA-N 0 3 327.453 3.595 20 30 EHEDHN CC(C)(C)CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cscn1 ZINC000807979389 1135597682 /nfs/dbraw/zinc/59/76/82/1135597682.db2.gz RFVMQRFIXKYKJK-CHWSQXEVSA-N 0 3 333.505 3.534 20 30 EHEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1COc2ccccc21 ZINC000808451413 1135669785 /nfs/dbraw/zinc/66/97/85/1135669785.db2.gz OFJSHIYSRNYPJY-AWEZNQCLSA-N 0 3 327.811 3.618 20 30 EHEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001197700878 1135727669 /nfs/dbraw/zinc/72/76/69/1135727669.db2.gz AHZPRVCCSHWBAB-QUCCMNQESA-N 0 3 346.474 3.950 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H]1CCc2cccc3cccc1c32 ZINC001197987156 1135764201 /nfs/dbraw/zinc/76/42/01/1135764201.db2.gz APQSSTDBJITODP-OHEPNIRZSA-N 0 3 349.478 3.860 20 30 EHEDHN C#C[C@@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(C)C ZINC000809685466 1135871322 /nfs/dbraw/zinc/87/13/22/1135871322.db2.gz VIMNYBIATQYEJY-QGZVFWFLSA-N 0 3 335.373 3.698 20 30 EHEDHN C#C[C@@H](CC)NCc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000809686127 1135872183 /nfs/dbraw/zinc/87/21/83/1135872183.db2.gz QZBMCGPKIQPXOO-SFHVURJKSA-N 0 3 333.435 3.723 20 30 EHEDHN C#Cc1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000809706706 1135875752 /nfs/dbraw/zinc/87/57/52/1135875752.db2.gz IIAXGIWWWZSODA-UHFFFAOYSA-N 0 3 334.394 3.722 20 30 EHEDHN CCCCCCCN1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001201762368 1136060557 /nfs/dbraw/zinc/06/05/57/1136060557.db2.gz HSQJTGYHAPLKRR-FQEVSTJZSA-N 0 3 331.504 3.723 20 30 EHEDHN C#CCOc1ccccc1CNC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000107713414 1136176628 /nfs/dbraw/zinc/17/66/28/1136176628.db2.gz JGJWCIPHIOYJGY-QGZVFWFLSA-N 0 3 349.352 3.541 20 30 EHEDHN Cc1c(Cl)cnc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c1C#N ZINC001170680634 1136220764 /nfs/dbraw/zinc/22/07/64/1136220764.db2.gz CRXVRMWSAKFWRZ-LBPRGKRZSA-N 0 3 337.814 3.788 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cc(SC)oc2C)cc1 ZINC000850759463 1136301065 /nfs/dbraw/zinc/30/10/65/1136301065.db2.gz JGKJQRSVFQNSDX-OAHLLOKOSA-N 0 3 342.420 3.834 20 30 EHEDHN C[C@H](OCc1ccccc1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813211792 1136302837 /nfs/dbraw/zinc/30/28/37/1136302837.db2.gz QINWPMPIYWCXPN-WFASDCNBSA-N 0 3 348.324 3.882 20 30 EHEDHN CC(C)CCO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813213079 1136302913 /nfs/dbraw/zinc/30/29/13/1136302913.db2.gz HOIKQYVZKLFXAG-DGCLKSJQSA-N 0 3 328.334 3.728 20 30 EHEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000813213471 1136303662 /nfs/dbraw/zinc/30/36/62/1136303662.db2.gz MQLVQXURIPLHSP-XBFCOCLRSA-N 0 3 340.345 3.872 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000850978470 1136324729 /nfs/dbraw/zinc/32/47/29/1136324729.db2.gz SUVXPYYRBGNQGS-HCXYKTFWSA-N 0 3 338.451 3.570 20 30 EHEDHN Cc1cc(C#N)cnc1C(=O)O[C@H](c1ccccc1)[C@H](C)N1CCCC1 ZINC000851134377 1136341536 /nfs/dbraw/zinc/34/15/36/1136341536.db2.gz RPEBZAPHMYPNSP-JXFKEZNVSA-N 0 3 349.434 3.644 20 30 EHEDHN C#CCN(CC[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000852046395 1136429166 /nfs/dbraw/zinc/42/91/66/1136429166.db2.gz RXJUGZUMSXWGJQ-LJQANCHMSA-N 0 3 336.460 3.625 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)Nc1ccc(Cl)nc1)c1ccccc1 ZINC000852083215 1136432614 /nfs/dbraw/zinc/43/26/14/1136432614.db2.gz ANQFDLPACRMSPS-MRXNPFEDSA-N 0 3 342.830 3.698 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852686704 1136477952 /nfs/dbraw/zinc/47/79/52/1136477952.db2.gz ZVMJBQVGYPKIQW-ZNMIVQPWSA-N 0 3 337.448 3.656 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN2CC[C@](C)(C#N)C2)CC1 ZINC000852687326 1136478005 /nfs/dbraw/zinc/47/80/05/1136478005.db2.gz SQRDRKUWNUZHCQ-GPMSIDNRSA-N 0 3 335.492 3.553 20 30 EHEDHN Cc1ccc(N2CCN(CCCC3(C#N)CCOCC3)CC2)c(C)c1 ZINC000852745532 1136483165 /nfs/dbraw/zinc/48/31/65/1136483165.db2.gz VGSFLTCLTYEMFK-UHFFFAOYSA-N 0 3 341.499 3.526 20 30 EHEDHN N#Cc1ccccc1-c1ccc(CN2CCCC[C@H]2C2OCCO2)cc1 ZINC000110990927 1136495009 /nfs/dbraw/zinc/49/50/09/1136495009.db2.gz NTLGJDFNKWDURR-NRFANRHFSA-N 0 3 348.446 3.953 20 30 EHEDHN CC1(C)CCCC[C@@H]1NN=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853341594 1136526886 /nfs/dbraw/zinc/52/68/86/1136526886.db2.gz UGZYOZWOIREMQR-IBGZPJMESA-N 0 3 329.488 3.540 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2ccccc2C)c([O-])c1 ZINC000112224048 1136615290 /nfs/dbraw/zinc/61/52/90/1136615290.db2.gz APPAPANZFDSWFB-TTYLXTBDSA-N 0 3 326.440 3.699 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000776795819 1136672223 /nfs/dbraw/zinc/67/22/23/1136672223.db2.gz WFQOAGIWYOTCIE-GOSISDBHSA-N 0 3 343.471 3.698 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000776797582 1136673211 /nfs/dbraw/zinc/67/32/11/1136673211.db2.gz IOMYCEUTESAPKJ-CRAIPNDOSA-N 0 3 343.471 3.602 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(F)cc2)ccc1OC ZINC000113347529 1136697310 /nfs/dbraw/zinc/69/73/10/1136697310.db2.gz HNQBCXUHENMJND-KRWDZBQOSA-N 0 3 328.387 3.805 20 30 EHEDHN C#C[C@@H](N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000816616312 1136741586 /nfs/dbraw/zinc/74/15/86/1136741586.db2.gz TYSOFLHZPYDCKC-SUMWQHHRSA-N 0 3 348.874 3.859 20 30 EHEDHN C#CCOc1ccc(NC(=O)c2oc3ccccc3c2CN(C)C)cc1 ZINC000114272271 1136785735 /nfs/dbraw/zinc/78/57/35/1136785735.db2.gz RMSDFRLKCUECOU-UHFFFAOYSA-N 0 3 348.402 3.759 20 30 EHEDHN Cc1ccc(N(Cc2cccs2)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000818073730 1136858846 /nfs/dbraw/zinc/85/88/46/1136858846.db2.gz MANUCCTXECLRKL-KRWDZBQOSA-N 0 3 327.453 3.611 20 30 EHEDHN C#CCCCCCC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000819335840 1136932420 /nfs/dbraw/zinc/93/24/20/1136932420.db2.gz PUMHZHLMUPQOHU-SFHVURJKSA-N 0 3 332.513 3.711 20 30 EHEDHN C=CCN1CCC(NC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC000859250403 1137009458 /nfs/dbraw/zinc/00/94/58/1137009458.db2.gz JPDZPKWGRMNHQL-ARJAWSKDSA-N 0 3 344.402 3.547 20 30 EHEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416336 1137014292 /nfs/dbraw/zinc/01/42/92/1137014292.db2.gz FVDBRFCFFCJUGP-YLJYHZDGSA-N 0 3 342.389 3.749 20 30 EHEDHN N#CCc1cccc2c1CCN(C[C@@H](O)c1cc3ccccc3o1)C2 ZINC000860108996 1137044622 /nfs/dbraw/zinc/04/46/22/1137044622.db2.gz LHKGZAJFWCQNOE-LJQANCHMSA-N 0 3 332.403 3.591 20 30 EHEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000860468275 1137061798 /nfs/dbraw/zinc/06/17/98/1137061798.db2.gz BFIWEVQRARIHDP-WMZOPIPTSA-N 0 3 338.407 3.692 20 30 EHEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3ccc4c(c3)COC4)C2)cc1 ZINC001137030945 1137176607 /nfs/dbraw/zinc/17/66/07/1137176607.db2.gz UQIAAXOUEDEVOM-NRFANRHFSA-N 0 3 334.419 3.632 20 30 EHEDHN CCc1ccc([C@H](O)C/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])cc1 ZINC000794680470 1137225738 /nfs/dbraw/zinc/22/57/38/1137225738.db2.gz NPKYNPZKTYYGOA-XOWGOQOESA-N 0 3 340.467 3.953 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000844473609 1137227272 /nfs/dbraw/zinc/22/72/72/1137227272.db2.gz KYEFPNHZSPVLLM-CMOCDZPBSA-N 0 3 348.446 3.586 20 30 EHEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1ccccc1 ZINC000865292029 1137275075 /nfs/dbraw/zinc/27/50/75/1137275075.db2.gz XJNLGLJPLUUQGZ-INIZCTEOSA-N 0 3 349.459 3.995 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H](CO)c1cccc(Cl)c1F ZINC001171201886 1137318336 /nfs/dbraw/zinc/31/83/36/1137318336.db2.gz SGCCFYFTLHLMCK-YVEFUNNKSA-N 0 3 332.806 3.605 20 30 EHEDHN [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000846757399 1137363413 /nfs/dbraw/zinc/36/34/13/1137363413.db2.gz YNBKYVGTJTWJBG-QIWHAVBOSA-N 0 3 337.261 3.591 20 30 EHEDHN [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000846757399 1137363415 /nfs/dbraw/zinc/36/34/15/1137363415.db2.gz YNBKYVGTJTWJBG-QIWHAVBOSA-N 0 3 337.261 3.591 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)s1 ZINC000847008228 1137382541 /nfs/dbraw/zinc/38/25/41/1137382541.db2.gz DXGDHOGFZHUOCR-OALUTQOASA-N 0 3 326.465 3.578 20 30 EHEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000121839760 1137386718 /nfs/dbraw/zinc/38/67/18/1137386718.db2.gz SYCUCCYTWRBBNJ-MAUKXSAKSA-N 0 3 326.440 3.646 20 30 EHEDHN C=CC(C)(C)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001148727310 1137432186 /nfs/dbraw/zinc/43/21/86/1137432186.db2.gz NNLHCIMQVXJCHX-QGZVFWFLSA-N 0 3 332.463 3.756 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)c1ccco1 ZINC000348219747 1137453449 /nfs/dbraw/zinc/45/34/49/1137453449.db2.gz DGELZUZAWNBCTI-YOEHRIQHSA-N 0 3 340.427 3.597 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CC2)C[C@H]1C(C)(C)C ZINC001171590943 1137497188 /nfs/dbraw/zinc/49/71/88/1137497188.db2.gz SLNUWNMDRKBIPW-GJZGRUSLSA-N 0 3 335.492 3.694 20 30 EHEDHN COc1cccc(-c2nc(CN[C@H](C)Cc3ccc(C#N)cc3)co2)c1 ZINC001172305713 1137545421 /nfs/dbraw/zinc/54/54/21/1137545421.db2.gz UKYDLABTDSITGF-OAHLLOKOSA-N 0 3 347.418 3.943 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001172308179 1137545646 /nfs/dbraw/zinc/54/56/46/1137545646.db2.gz IXTIVSAMWQZJRF-YOEHRIQHSA-N 0 3 330.428 3.515 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000876607579 1137656984 /nfs/dbraw/zinc/65/69/84/1137656984.db2.gz XHMMHZHUHVGNKL-IAQYHMDHSA-N 0 3 327.255 3.862 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000876662976 1137658494 /nfs/dbraw/zinc/65/84/94/1137658494.db2.gz UUYGOZTYIBSDRM-NEPJUHHUSA-N 0 3 333.646 3.567 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000876702522 1137659467 /nfs/dbraw/zinc/65/94/67/1137659467.db2.gz AQUHZJZHMJIZTE-NSHDSACASA-N 0 3 333.646 3.569 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(-c2nccn2CCCC)c1 ZINC000876775481 1137661016 /nfs/dbraw/zinc/66/10/16/1137661016.db2.gz WOGKIQHWQLYHTH-MRXNPFEDSA-N 0 3 346.862 3.759 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000876893093 1137664735 /nfs/dbraw/zinc/66/47/35/1137664735.db2.gz ICYZSGIEAIHTIQ-VXGBXAGGSA-N 0 3 329.897 3.564 20 30 EHEDHN CCC[C@@H](NCc1cc(C#N)cnc1Cl)[C@H](O)c1ccccc1 ZINC000877488645 1137678198 /nfs/dbraw/zinc/67/81/98/1137678198.db2.gz HRCOATRMSJRNPB-IAGOWNOFSA-N 0 3 329.831 3.599 20 30 EHEDHN CC(=O)[C@@](C#N)(CCN(C)C1Cc2ccccc2C1)c1ccccc1 ZINC000877991561 1137698770 /nfs/dbraw/zinc/69/87/70/1137698770.db2.gz BEUIKKHPGPPSEX-QFIPXVFZSA-N 0 3 332.447 3.526 20 30 EHEDHN Cc1cccc(C(=O)NC2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000879348521 1137745136 /nfs/dbraw/zinc/74/51/36/1137745136.db2.gz AVTMKVQOBGKCBI-KRWDZBQOSA-N 0 3 347.462 3.822 20 30 EHEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1 ZINC000880101686 1137768341 /nfs/dbraw/zinc/76/83/41/1137768341.db2.gz NZSPKJJCUYKVPL-LBPRGKRZSA-N 0 3 335.329 3.702 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2C(C)(F)F)CC1 ZINC000880717298 1137786188 /nfs/dbraw/zinc/78/61/88/1137786188.db2.gz ILAJYLOBBNVTPW-UHFFFAOYSA-N 0 3 341.377 3.709 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC000882570051 1137829553 /nfs/dbraw/zinc/82/95/53/1137829553.db2.gz VBXHLGNXRDNZKA-OAHLLOKOSA-N 0 3 342.336 3.543 20 30 EHEDHN C=CCC[C@H](NCc1nc(-c2ccncc2)cs1)[C@H]1CCCO1 ZINC000883244000 1137850198 /nfs/dbraw/zinc/85/01/98/1137850198.db2.gz CIVJUBKLOVXIIX-DOTOQJQBSA-N 0 3 329.469 3.809 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCc3sccc3[C@H]2CC)CC1 ZINC000106341071 1137883337 /nfs/dbraw/zinc/88/33/37/1137883337.db2.gz VWAHATQLAUEEMF-QGZVFWFLSA-N 0 3 347.528 3.807 20 30 EHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cnn(Cc2ccccc2)c1 ZINC000348342186 1137983711 /nfs/dbraw/zinc/98/37/11/1137983711.db2.gz LCAYDBSBVPMZAY-KRWDZBQOSA-N 0 3 330.435 3.848 20 30 EHEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1nc2ccccc2n1C(F)F ZINC000886158006 1138053986 /nfs/dbraw/zinc/05/39/86/1138053986.db2.gz PJBYMQWSCIPMCL-STQMWFEESA-N 0 3 348.397 3.527 20 30 EHEDHN C=CCc1cc(CN[C@@H](c2cnn(C)c2)C(C)C)cc(OC)c1OC ZINC000886544862 1138094089 /nfs/dbraw/zinc/09/40/89/1138094089.db2.gz BSRZEFLDQOUSOL-LJQANCHMSA-N 0 3 343.471 3.653 20 30 EHEDHN C#CCN(C(=O)c1ccc(-c2ccccc2)cc1)C1CCN(C)CC1 ZINC000886589459 1138099986 /nfs/dbraw/zinc/09/99/86/1138099986.db2.gz WCEDUYSOMLIGSS-UHFFFAOYSA-N 0 3 332.447 3.523 20 30 EHEDHN CSc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1C#N ZINC000886686483 1138115386 /nfs/dbraw/zinc/11/53/86/1138115386.db2.gz QVYJHZHYNKOHAL-LBPRGKRZSA-N 0 3 326.421 3.860 20 30 EHEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3Cc3ccccc3)o2)cc1 ZINC000075595467 1138128721 /nfs/dbraw/zinc/12/87/21/1138128721.db2.gz PISPFHCLAXHPHZ-LJQANCHMSA-N 0 3 344.418 3.815 20 30 EHEDHN CCN(Cc1ccc(OCC#N)cc1)Cc1ccc(OC)c(OC)c1 ZINC000264153396 1138430253 /nfs/dbraw/zinc/43/02/53/1138430253.db2.gz QRIBPTKNBKSHDP-UHFFFAOYSA-N 0 3 340.423 3.628 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC(c3ccccc3C)CC2)CC1 ZINC000264322799 1138475750 /nfs/dbraw/zinc/47/57/50/1138475750.db2.gz AZTFXLREBQOXPY-UHFFFAOYSA-N 0 3 341.499 3.534 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H](C)c2ccccc2)CC1 ZINC000264356743 1138486525 /nfs/dbraw/zinc/48/65/25/1138486525.db2.gz FETLHDHYEOALEG-KRWDZBQOSA-N 0 3 329.488 3.520 20 30 EHEDHN CC(C)N(Cc1ccc(OCC#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000264559197 1138558438 /nfs/dbraw/zinc/55/84/38/1138558438.db2.gz NWFWXDSEYCSLES-UHFFFAOYSA-N 0 3 339.395 3.908 20 30 EHEDHN C=CCN1CCC(NC(=O)CCCc2csc3ccccc23)CC1 ZINC000176301585 1139551028 /nfs/dbraw/zinc/55/10/28/1139551028.db2.gz MAQCQDUYCFWMRO-UHFFFAOYSA-N 0 3 342.508 3.991 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000176948787 1139588603 /nfs/dbraw/zinc/58/86/03/1139588603.db2.gz MIAUWXGBVNEIKG-GFCCVEGCSA-N 0 3 340.452 3.754 20 30 EHEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000183110587 1140013419 /nfs/dbraw/zinc/01/34/19/1140013419.db2.gz NCNYNYZWTPQOGL-INIZCTEOSA-N 0 3 349.434 3.826 20 30 EHEDHN C=CCc1cc(CN2CCC([C@H]3CCCO3)CC2)cc(OC)c1O ZINC000188246130 1140288693 /nfs/dbraw/zinc/28/86/93/1140288693.db2.gz SBDZWYIWXAYMKJ-GOSISDBHSA-N 0 3 331.456 3.520 20 30 EHEDHN CCCCOc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1OC ZINC000190788584 1140417411 /nfs/dbraw/zinc/41/74/11/1140417411.db2.gz LHVYBQZYXDFKDH-HNNXBMFYSA-N 0 3 341.455 3.935 20 30 EHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N(CCOC)CCN(C)C ZINC000191505464 1140467907 /nfs/dbraw/zinc/46/79/07/1140467907.db2.gz LIBNUEMWGDVUSA-UHFFFAOYSA-N 0 3 347.503 3.580 20 30 EHEDHN C=CC[C@H](C)[C@H](C)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000269063037 1141058188 /nfs/dbraw/zinc/05/81/88/1141058188.db2.gz KQLSVFDMFGIWHF-GJZGRUSLSA-N 0 3 343.496 3.763 20 30 EHEDHN CC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000271634716 1141410114 /nfs/dbraw/zinc/41/01/14/1141410114.db2.gz GHDUXVKHQSKPCR-MRXNPFEDSA-N 0 3 327.453 3.916 20 30 EHEDHN N#Cc1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000072602623 216280391 /nfs/dbraw/zinc/28/03/91/216280391.db2.gz XWESBEUCOZXTCN-UHFFFAOYSA-N 0 3 336.395 3.543 20 30 EHEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000022197539 212281399 /nfs/dbraw/zinc/28/13/99/212281399.db2.gz AKKWNIXDSCPZEA-UHFFFAOYSA-N 0 3 339.464 3.569 20 30 EHEDHN N#Cc1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000078478739 217058933 /nfs/dbraw/zinc/05/89/33/217058933.db2.gz DAARGRDCMGJLJS-MRXNPFEDSA-N 0 3 337.398 3.548 20 30 EHEDHN N#CC(C(=O)C=Cc1cc(Br)ccc1F)c1ccccn1 ZINC000049456403 1014179987 /nfs/dbraw/zinc/17/99/87/1014179987.db2.gz JAWRBGBUIQMCDI-LLPBQKLSSA-N 0 3 345.171 3.873 20 30 EHEDHN CC1(C#N)CCC(Nc2ccccc2CN2CCC(O)CC2)CC1 ZINC000449040843 1032090553 /nfs/dbraw/zinc/09/05/53/1032090553.db2.gz JRRLEZSTTCMTFL-UHFFFAOYSA-N 0 3 327.472 3.528 20 30 EHEDHN C=CCCSCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000594960564 1033598578 /nfs/dbraw/zinc/59/85/78/1033598578.db2.gz TVSMDQWSXIVCMA-UHFFFAOYSA-N 0 3 340.920 3.576 20 30 EHEDHN Cc1nc(N(C)[C@H]2CCN(Cc3ccccc3)C2)c(Cl)cc1C#N ZINC000336713213 1015197448 /nfs/dbraw/zinc/19/74/48/1015197448.db2.gz OIRWOYCHMOYMQT-KRWDZBQOSA-N 0 3 340.858 3.626 20 30 EHEDHN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(CC#N)cc3)ccc2NC1=O ZINC000343741917 1032136961 /nfs/dbraw/zinc/13/69/61/1032136961.db2.gz GZTHWLAZZUVJLP-KUHUBIRLSA-N 0 3 349.434 3.713 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000189243727 1016499488 /nfs/dbraw/zinc/49/94/88/1016499488.db2.gz RQNPCDYGYHPHMS-IRXDYDNUSA-N 0 3 339.483 3.590 20 30 EHEDHN CC(C)c1ccc(OCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000127984940 1032215939 /nfs/dbraw/zinc/21/59/39/1032215939.db2.gz HMOGZNOSXNQSBL-SFHVURJKSA-N 0 3 336.391 3.536 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000538364771 1032311609 /nfs/dbraw/zinc/31/16/09/1032311609.db2.gz JQCKJJVHYJAUGO-MJGOQNOKSA-N 0 3 329.488 3.647 20 30 EHEDHN COc1ccc(OCc2ccccn2)c(CNCC(C)(C)CC#N)c1 ZINC000459696369 1032422434 /nfs/dbraw/zinc/42/24/34/1032422434.db2.gz PEYSVQMXUNGTNW-UHFFFAOYSA-N 0 3 339.439 3.699 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000537069023 1032506900 /nfs/dbraw/zinc/50/69/00/1032506900.db2.gz AUCYGEQAWUFJEJ-FXAWDEMLSA-N 0 3 347.478 3.947 20 30 EHEDHN C=CCNC(=O)CN[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000537123089 1032521735 /nfs/dbraw/zinc/52/17/35/1032521735.db2.gz CABIFLMPYHUXSQ-UNMCSNQZSA-N 0 3 334.463 3.740 20 30 EHEDHN COCCC[C@@H](Cc1ccccc1)NCc1cccc(F)c1C#N ZINC000602018164 1032592396 /nfs/dbraw/zinc/59/23/96/1032592396.db2.gz WGWCEIDJKVQCRQ-SFHVURJKSA-N 0 3 326.415 3.825 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000592975885 1032620018 /nfs/dbraw/zinc/62/00/18/1032620018.db2.gz XFQIIROIHIDNRV-ZDUSSCGKSA-N 0 3 326.352 3.934 20 30 EHEDHN CCN(CC)[C@@H](CNc1c(C#N)cnc2c(C)cccc21)c1ccco1 ZINC000610274218 1017161863 /nfs/dbraw/zinc/16/18/63/1017161863.db2.gz SNGAHTAWIQQEGV-SFHVURJKSA-N 0 3 348.450 3.925 20 30 EHEDHN Cc1cccc(C)c1[C@@H](C)N[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000544895469 1017372194 /nfs/dbraw/zinc/37/21/94/1017372194.db2.gz GMQCDYIDRPOPQT-IAGOWNOFSA-N 0 3 327.472 3.685 20 30 EHEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000177685986 1018465110 /nfs/dbraw/zinc/46/51/10/1018465110.db2.gz ZMIQMZFYKMZVLE-LBPRGKRZSA-N 0 3 340.452 3.754 20 30 EHEDHN C=CCOc1c(Cl)cc(CN(CC)[C@@H]2CCOC2)cc1OC ZINC000628289992 1018532455 /nfs/dbraw/zinc/53/24/55/1018532455.db2.gz STDMGUFSOQUWCS-CQSZACIVSA-N 0 3 325.836 3.524 20 30 EHEDHN CCC(C)(C)CCN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000610389742 1018701609 /nfs/dbraw/zinc/70/16/09/1018701609.db2.gz CXHPQKPTALEEEN-UHFFFAOYSA-N 0 3 342.443 3.755 20 30 EHEDHN CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCN(C)C1 ZINC000597946599 1032787865 /nfs/dbraw/zinc/78/78/65/1032787865.db2.gz QERJASFKBASRQO-SFHVURJKSA-N 0 3 349.434 3.517 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000614397209 1018958801 /nfs/dbraw/zinc/95/88/01/1018958801.db2.gz BOYQOQDBOFOBDJ-LJQANCHMSA-N 0 3 334.419 3.975 20 30 EHEDHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(CN(C)C)c1 ZINC000047453569 1019003625 /nfs/dbraw/zinc/00/36/25/1019003625.db2.gz HHIZTBZCNGFVBE-UHFFFAOYSA-N 0 3 348.406 3.564 20 30 EHEDHN C=CCCCCCNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000580784348 1020013608 /nfs/dbraw/zinc/01/36/08/1020013608.db2.gz SDQJVCROHORULC-UHFFFAOYSA-N 0 3 329.893 3.970 20 30 EHEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000610475775 1020412791 /nfs/dbraw/zinc/41/27/91/1020412791.db2.gz AWODAIONLULTBT-KRWDZBQOSA-N 0 3 348.450 3.687 20 30 EHEDHN CC(C)COc1ccccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602519227 1032930305 /nfs/dbraw/zinc/93/03/05/1032930305.db2.gz VRBVWBRMXSILRT-QGZVFWFLSA-N 0 3 330.472 3.910 20 30 EHEDHN N#CCC[C@H](C#N)CNCCc1c[nH]c2ccc(Br)cc12 ZINC000518435257 1021180003 /nfs/dbraw/zinc/18/00/03/1021180003.db2.gz YOKCPBWYQKGLNZ-GFCCVEGCSA-N 0 3 345.244 3.506 20 30 EHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1NCc2ccccc21 ZINC000602528961 1032963176 /nfs/dbraw/zinc/96/31/76/1032963176.db2.gz NUVJAMBLEKTDFK-OAQYLSRUSA-N 0 3 347.462 3.777 20 30 EHEDHN C=CCC[C@H](O)CN1CCC(c2ccccc2Br)CC1 ZINC000439257442 1021303128 /nfs/dbraw/zinc/30/31/28/1021303128.db2.gz GKSRZOLEFZNEOB-HNNXBMFYSA-N 0 3 338.289 3.956 20 30 EHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(OCc2nccn2C)cc1 ZINC000151375976 1021431093 /nfs/dbraw/zinc/43/10/93/1021431093.db2.gz QVJBQDSRUQUHJY-INIZCTEOSA-N 0 3 346.434 3.722 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(C3CC3)c2)CC1 ZINC000439801817 1021726689 /nfs/dbraw/zinc/72/66/89/1021726689.db2.gz ROXAZLAFTRHMLX-UHFFFAOYSA-N 0 3 331.435 3.865 20 30 EHEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC000728915656 1033012165 /nfs/dbraw/zinc/01/21/65/1033012165.db2.gz VIIYWPAIDUSNPF-CQSZACIVSA-N 0 3 327.453 3.593 20 30 EHEDHN C[C@H](CNCc1nc(C#N)cs1)c1cccc(Br)c1 ZINC000897629658 1033025775 /nfs/dbraw/zinc/02/57/75/1033025775.db2.gz XHFXWUYMBQQCST-SNVBAGLBSA-N 0 3 336.258 3.671 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000441207578 1022063736 /nfs/dbraw/zinc/06/37/36/1022063736.db2.gz NFTPXHYGUZNBEV-IAGOWNOFSA-N 0 3 337.385 3.805 20 30 EHEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)n1 ZINC000602640835 1033031565 /nfs/dbraw/zinc/03/15/65/1033031565.db2.gz DTLXLYPLXIDAPX-OAHLLOKOSA-N 0 3 347.249 3.629 20 30 EHEDHN N#Cc1ccccc1CSCCNCc1c[nH]c(-c2ccccc2)n1 ZINC000175977050 1022231221 /nfs/dbraw/zinc/23/12/21/1022231221.db2.gz YIDXFFFTLQCJNJ-UHFFFAOYSA-N 0 3 348.475 3.971 20 30 EHEDHN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(CN1CCC[C@@](C)(C#N)C1)C2 ZINC000894446965 1022293996 /nfs/dbraw/zinc/29/39/96/1022293996.db2.gz ZJQMHSSGMFBIDZ-KRXYWNSISA-N 0 3 347.503 3.790 20 30 EHEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051322591 1022489370 /nfs/dbraw/zinc/48/93/70/1022489370.db2.gz XJAUNDGLSUSJFP-KRWDZBQOSA-N 0 3 334.341 3.742 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)cc2SCC)CC1 ZINC000124890175 1022576421 /nfs/dbraw/zinc/57/64/21/1022576421.db2.gz UMTGZLNZADQPKI-UHFFFAOYSA-N 0 3 338.904 3.832 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2OCC2CC2)CC1 ZINC000077729348 1023206946 /nfs/dbraw/zinc/20/69/46/1023206946.db2.gz ACMNOHMIQNTXBT-UHFFFAOYSA-N 0 3 343.471 3.637 20 30 EHEDHN C[C@@H](NC[C@](C)(CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000477859238 1023228001 /nfs/dbraw/zinc/22/80/01/1023228001.db2.gz IPGMYUJFLWAODZ-FOIQADDNSA-N 0 3 326.415 3.589 20 30 EHEDHN C=CCOCCN[C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000684556969 1023303047 /nfs/dbraw/zinc/30/30/47/1023303047.db2.gz JLSJYFRHIJEWQQ-OAHLLOKOSA-N 0 3 328.225 3.832 20 30 EHEDHN C=CCOc1ccc(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000092754553 1023499019 /nfs/dbraw/zinc/49/90/19/1023499019.db2.gz YZEFOQMIJFCSPQ-QGZVFWFLSA-N 0 3 344.499 3.624 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CC(C)(C)OC3(C)C)nc21 ZINC000528953804 1033146548 /nfs/dbraw/zinc/14/65/48/1033146548.db2.gz NZVVFCXMBJKPCQ-CHWSQXEVSA-N 0 3 325.412 3.641 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CC(C)(C)OC3(C)C)[nH]c21 ZINC000528953804 1033146558 /nfs/dbraw/zinc/14/65/58/1033146558.db2.gz NZVVFCXMBJKPCQ-CHWSQXEVSA-N 0 3 325.412 3.641 20 30 EHEDHN N#Cc1cccc(OC2CCN(Cc3cccc4c3CCOC4)CC2)c1 ZINC000602771919 1033151169 /nfs/dbraw/zinc/15/11/69/1033151169.db2.gz JDNNKRUFVHNEIL-UHFFFAOYSA-N 0 3 348.446 3.674 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccccc1 ZINC000341923775 1023700188 /nfs/dbraw/zinc/70/01/88/1023700188.db2.gz CVGIBPDBGXTZQU-GOSISDBHSA-N 0 3 337.423 3.632 20 30 EHEDHN CC[C@H](NCCOc1ccc(C#N)cc1OC)c1cc(F)ccc1F ZINC000341977186 1023737473 /nfs/dbraw/zinc/73/74/73/1023737473.db2.gz AKLIMSUNMNRCSV-KRWDZBQOSA-N 0 3 346.377 3.965 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000187687624 1023831720 /nfs/dbraw/zinc/83/17/20/1023831720.db2.gz IFBDFHFCRUEJRA-HNNXBMFYSA-N 0 3 343.471 3.951 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000280819202 1023959409 /nfs/dbraw/zinc/95/94/09/1023959409.db2.gz NEXANHHXPYSMCK-SYNHAJSKSA-N 0 3 340.471 3.516 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000165649829 1024009480 /nfs/dbraw/zinc/00/94/80/1024009480.db2.gz LLGLNVCLAMVZLG-UHFFFAOYSA-N 0 3 349.434 3.584 20 30 EHEDHN CC[C@](C)(O)CN(Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000439267476 1024093830 /nfs/dbraw/zinc/09/38/30/1024093830.db2.gz SCIOMUMYUOSKGI-NRFANRHFSA-N 0 3 338.451 3.730 20 30 EHEDHN C=CCN(CC(=O)N(C)Cc1ccc(OC)cc1)CC1CCCCC1 ZINC000514110016 1024141104 /nfs/dbraw/zinc/14/11/04/1024141104.db2.gz YFJLKZWAMODLFK-UHFFFAOYSA-N 0 3 344.499 3.722 20 30 EHEDHN Cc1nc(C)c(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)s1 ZINC000329815557 1024206516 /nfs/dbraw/zinc/20/65/16/1024206516.db2.gz DOJVDMZYOXEEPG-MLGOLLRUSA-N 0 3 344.484 3.749 20 30 EHEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000329878182 1024232386 /nfs/dbraw/zinc/23/23/86/1024232386.db2.gz KIUIBUJXNKIKKJ-HUUCEWRRSA-N 0 3 331.460 3.732 20 30 EHEDHN CCC(C)(C)[C@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000441634236 1024253559 /nfs/dbraw/zinc/25/35/59/1024253559.db2.gz MQMNFZXNYPQYTL-GOSISDBHSA-N 0 3 327.472 3.834 20 30 EHEDHN Cc1c2ccccc2oc1[C@H](C)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000330116976 1024324228 /nfs/dbraw/zinc/32/42/28/1024324228.db2.gz WGNQWDTWQODJKE-UONOGXRCSA-N 0 3 327.428 3.543 20 30 EHEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(F)cc1Cl ZINC000330241618 1024367979 /nfs/dbraw/zinc/36/79/79/1024367979.db2.gz FTDAJLGGXMHTGZ-TZTCFGBESA-N 0 3 326.799 3.613 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNc1c(C#N)cccc1[N+](=O)[O-])c1ccco1 ZINC000425255027 1024521878 /nfs/dbraw/zinc/52/18/78/1024521878.db2.gz OISWZGKHGKUNOY-OCCSQVGLSA-N 0 3 328.372 3.601 20 30 EHEDHN C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000522418998 1024536240 /nfs/dbraw/zinc/53/62/40/1024536240.db2.gz YEHSYLOANYILCG-MJGOQNOKSA-N 0 3 339.483 3.549 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@@H](c3nccs3)C2)cc1OC ZINC000895583609 1024627079 /nfs/dbraw/zinc/62/70/79/1024627079.db2.gz MABSGELYXCDXAL-OAHLLOKOSA-N 0 3 330.453 3.706 20 30 EHEDHN CCCN1CCN(c2ccccc2CNc2ccc(C#N)cc2)CC1 ZINC000545209437 1033236855 /nfs/dbraw/zinc/23/68/55/1033236855.db2.gz LIBQZUIPSIMNCN-UHFFFAOYSA-N 0 3 334.467 3.702 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(OC)c(OCC(C)C)c2)CC1 ZINC000895836160 1024901846 /nfs/dbraw/zinc/90/18/46/1024901846.db2.gz XLHVECQRWOZSEH-UHFFFAOYSA-N 0 3 333.472 3.633 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000469754968 1025581087 /nfs/dbraw/zinc/58/10/87/1025581087.db2.gz XKWIPMDQUGSSPI-OAQYLSRUSA-N 0 3 349.478 3.753 20 30 EHEDHN C=CCN(CCOc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000515779742 1025586805 /nfs/dbraw/zinc/58/68/05/1025586805.db2.gz ASCQIDQPQFDAKM-UHFFFAOYSA-N 0 3 327.424 3.771 20 30 EHEDHN COc1ccccc1[C@@H](CNCc1cc(C#N)cs1)OC(C)C ZINC000185721932 1025691627 /nfs/dbraw/zinc/69/16/27/1025691627.db2.gz ADJCRSMBQHYUAV-GOSISDBHSA-N 0 3 330.453 3.884 20 30 EHEDHN C=CCC[C@@H](C)N1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1 ZINC000451221739 1025695382 /nfs/dbraw/zinc/69/53/82/1025695382.db2.gz ULYGDSKUFYCBMK-QGZVFWFLSA-N 0 3 343.467 3.869 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)N(C)CC3)n1 ZINC000530403502 1025773034 /nfs/dbraw/zinc/77/30/34/1025773034.db2.gz MUXMYFSCNYZQLV-CQSZACIVSA-N 0 3 325.437 3.749 20 30 EHEDHN CC(C)c1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051653210 1026134549 /nfs/dbraw/zinc/13/45/49/1026134549.db2.gz SRWWLTFIPMOMEI-GOSISDBHSA-N 0 3 326.440 3.510 20 30 EHEDHN C=CCCn1cc(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)nn1 ZINC000657427273 1026234248 /nfs/dbraw/zinc/23/42/48/1026234248.db2.gz ACIXUEINKXROKB-SFHVURJKSA-N 0 3 326.419 3.719 20 30 EHEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)Nc2cccc(C)c2)cc1 ZINC000127740778 1026403120 /nfs/dbraw/zinc/40/31/20/1026403120.db2.gz QBTJSMMDXIORIC-LJQANCHMSA-N 0 3 334.419 3.974 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2[C@H](C)CCC2(C)C)c1C ZINC000452003986 1026444002 /nfs/dbraw/zinc/44/40/02/1026444002.db2.gz HACWCBOKZFEVIC-MRXNPFEDSA-N 0 3 327.472 3.813 20 30 EHEDHN C=CCSc1ccccc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452176451 1026541492 /nfs/dbraw/zinc/54/14/92/1026541492.db2.gz VRPXQKONAWDMNA-HNNXBMFYSA-N 0 3 330.497 3.521 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000657460305 1026561543 /nfs/dbraw/zinc/56/15/43/1026561543.db2.gz CZMVYYQRERGLQD-OAQYLSRUSA-N 0 3 339.435 3.709 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000192998460 1026660594 /nfs/dbraw/zinc/66/05/94/1026660594.db2.gz QSYBMZFMSRPABQ-LSDHHAIUSA-N 0 3 338.407 3.772 20 30 EHEDHN C=CCN1CCC(Nc2cnc3cc(Cl)c(Cl)cc3n2)CC1 ZINC000302124470 1027061839 /nfs/dbraw/zinc/06/18/39/1027061839.db2.gz ZFQUARXARSJTOA-UHFFFAOYSA-N 0 3 337.254 3.999 20 30 EHEDHN N#Cc1cc(F)ccc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000366534223 1027365859 /nfs/dbraw/zinc/36/58/59/1027365859.db2.gz KOKUOOZCSFFNGN-UHFFFAOYSA-N 0 3 341.352 3.915 20 30 EHEDHN C=CCCC1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CC1 ZINC000475520528 1027557795 /nfs/dbraw/zinc/55/77/95/1027557795.db2.gz JXPOKCSVUWPSTP-UHFFFAOYSA-N 0 3 340.511 3.900 20 30 EHEDHN N#Cc1ccc(CNCCOc2ccc(Br)cc2)c(F)c1 ZINC000533446365 1027910555 /nfs/dbraw/zinc/91/05/55/1027910555.db2.gz XKJJGQATNRTAPT-UHFFFAOYSA-N 0 3 349.203 3.628 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)CC1 ZINC000473554637 1027923574 /nfs/dbraw/zinc/92/35/74/1027923574.db2.gz POAHYRLJUVFUEF-UHFFFAOYSA-N 0 3 344.352 3.533 20 30 EHEDHN CCc1ccc([C@H](NCC(=O)N(CC)C[C@@H](C)C#N)C(C)C)cc1 ZINC000533472089 1027936451 /nfs/dbraw/zinc/93/64/51/1027936451.db2.gz XEGLIJRYWONWOU-OXJNMPFZSA-N 0 3 329.488 3.544 20 30 EHEDHN C=CCCC[C@@H](C)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000091513958 1028357653 /nfs/dbraw/zinc/35/76/53/1028357653.db2.gz UTHDDEDKVFECOP-SJORKVTESA-N 0 3 347.478 3.515 20 30 EHEDHN CCn1c2ccccc2c2cc(NC(=O)[C@H](N)CCCC#N)ccc21 ZINC000424073949 1028775746 /nfs/dbraw/zinc/77/57/46/1028775746.db2.gz GGIUGTCBWONGHU-QGZVFWFLSA-N 0 3 334.423 3.774 20 30 EHEDHN Cc1cc(C)c(-c2csc(NC(=O)[C@H](N)CCCC#N)n2)cc1C ZINC000424080961 1028780940 /nfs/dbraw/zinc/78/09/40/1028780940.db2.gz UNJKQOCLQQNSPG-OAHLLOKOSA-N 0 3 342.468 3.695 20 30 EHEDHN CCC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424108965 1028805664 /nfs/dbraw/zinc/80/56/64/1028805664.db2.gz AEZAWRVQJCLWEJ-HUUCEWRRSA-N 0 3 342.270 3.972 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000424128174 1028824462 /nfs/dbraw/zinc/82/44/62/1028824462.db2.gz QWDBWUBTCCFKQP-SJORKVTESA-N 0 3 333.863 3.805 20 30 EHEDHN COc1ccc(-c2ccc(CN[C@@H]3CC[C@H](C#N)C3)o2)c([N+](=O)[O-])c1 ZINC000424190979 1028877102 /nfs/dbraw/zinc/87/71/02/1028877102.db2.gz GXCWFORXMCSCIO-QWHCGFSZSA-N 0 3 341.367 3.645 20 30 EHEDHN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424194788 1028879840 /nfs/dbraw/zinc/87/98/40/1028879840.db2.gz SHLUOEOEJUHSGP-HZMBPMFUSA-N 0 3 328.243 3.534 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCC[C@@H](C)C1 ZINC000248541678 1028885100 /nfs/dbraw/zinc/88/51/00/1028885100.db2.gz CBPJOUNGUBUARQ-HZPDHXFCSA-N 0 3 331.435 3.583 20 30 EHEDHN C[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000154282482 1029084206 /nfs/dbraw/zinc/08/42/06/1029084206.db2.gz MYDIMPMSPVYFHL-OAHLLOKOSA-N 0 3 341.842 3.937 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC2(CCCC2)C1 ZINC000445876732 1029206179 /nfs/dbraw/zinc/20/61/79/1029206179.db2.gz YZMCQWYOFIGEJD-GOSISDBHSA-N 0 3 339.483 3.978 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(C#N)cc2F)c([O-])c1 ZINC000729819853 1029580429 /nfs/dbraw/zinc/58/04/29/1029580429.db2.gz SHKRUABQKRYFBN-XKZIYDEJSA-N 0 3 325.387 3.868 20 30 EHEDHN N#Cc1ccc(OCCCN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000052306329 1029724132 /nfs/dbraw/zinc/72/41/32/1029724132.db2.gz TVHHJPDZVDIDDF-UHFFFAOYSA-N 0 3 334.419 3.822 20 30 EHEDHN CCC1(CC)CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000446716408 1029770215 /nfs/dbraw/zinc/77/02/15/1029770215.db2.gz IOKOPKKSEKOSKL-MRXNPFEDSA-N 0 3 345.462 3.973 20 30 EHEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000531905413 1030017413 /nfs/dbraw/zinc/01/74/13/1030017413.db2.gz YVKDSBZBAIAFNN-ZDUSSCGKSA-N 0 3 344.377 3.660 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cnc3ccc(C)cn23)c1 ZINC000156841505 1030027037 /nfs/dbraw/zinc/02/70/37/1030027037.db2.gz MOGOAJYDVKSHKT-GOSISDBHSA-N 0 3 334.423 3.614 20 30 EHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453370197 1030188197 /nfs/dbraw/zinc/18/81/97/1030188197.db2.gz FSVABKQPLSSPMI-LBPRGKRZSA-N 0 3 337.398 3.778 20 30 EHEDHN CC[C@H](C)[C@H]([NH2+]C1CCC(c2ccc(Cl)cc2)CC1)C(=O)N[O-] ZINC001168341621 1030192058 /nfs/dbraw/zinc/19/20/58/1030192058.db2.gz NFHODEBHHDBHMK-XNPDXQRHSA-N 0 3 338.879 3.876 20 30 EHEDHN Cc1nsc(N2CCN(c3ccnc4ccc(C)cc43)CC2)c1C#N ZINC000583597358 1030231771 /nfs/dbraw/zinc/23/17/71/1030231771.db2.gz HRMQLGUDGYDDKE-UHFFFAOYSA-N 0 3 349.463 3.506 20 30 EHEDHN CC(C)(CCC#N)CN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000092453625 1030454864 /nfs/dbraw/zinc/45/48/64/1030454864.db2.gz ZBVAXFJLJGYGCC-UHFFFAOYSA-N 0 3 347.890 3.818 20 30 EHEDHN CC(C)(N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000447856281 1030544728 /nfs/dbraw/zinc/54/47/28/1030544728.db2.gz ZMZWFBYCJZUKCP-IBGZPJMESA-N 0 3 333.435 3.579 20 30 EHEDHN C=CC[C@@H]1N([C@H]2CCCN(CC(F)(F)F)C2=O)CCCC1(C)C ZINC000447879523 1030562586 /nfs/dbraw/zinc/56/25/86/1030562586.db2.gz QZJFNXYZPCGSNG-KBPBESRZSA-N 0 3 332.410 3.606 20 30 EHEDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OCC#N)cc1 ZINC000193902477 1030617772 /nfs/dbraw/zinc/61/77/72/1030617772.db2.gz WKOPZIDFGGSTKU-KGLIPLIRSA-N 0 3 325.368 3.909 20 30 EHEDHN CCCCO[C@@H]1C[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C1(C)C ZINC000537656543 1030895386 /nfs/dbraw/zinc/89/53/86/1030895386.db2.gz IFMXZVXTUROVCT-QZTJIDSGSA-N 0 3 340.471 3.622 20 30 EHEDHN COc1cccc([C@@H](CNc2nccc(C)c2C#N)N2CCCC2)c1 ZINC000343446891 1030928583 /nfs/dbraw/zinc/92/85/83/1030928583.db2.gz YNOQIAILKXDPQV-LJQANCHMSA-N 0 3 336.439 3.519 20 30 EHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(OCc2ccccn2)c1 ZINC000190795494 1031097804 /nfs/dbraw/zinc/09/78/04/1031097804.db2.gz NRIMMCQZKWHAEE-INIZCTEOSA-N 0 3 346.434 3.722 20 30 EHEDHN C=C(C)[C@@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000583947559 1031188224 /nfs/dbraw/zinc/18/82/24/1031188224.db2.gz VOBKROIPEBTRGN-QFBILLFUSA-N 0 3 335.369 3.914 20 30 EHEDHN N#Cc1cccc(OC2CCN(C[C@@H]3CCC4(CCCC4)O3)CC2)c1 ZINC000583946989 1031189385 /nfs/dbraw/zinc/18/93/85/1031189385.db2.gz PXRDTOIQVLJBQW-FQEVSTJZSA-N 0 3 340.467 3.893 20 30 EHEDHN Cc1cccc(C(C)(C)NCC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000179589048 1031790834 /nfs/dbraw/zinc/79/08/34/1031790834.db2.gz DWXLEEOSQLZUCR-UHFFFAOYSA-N 0 3 327.472 3.505 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000594429923 1033366611 /nfs/dbraw/zinc/36/66/11/1033366611.db2.gz WQIWLSCJYPQZJR-HXUWFJFHSA-N 0 3 335.451 3.742 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000594440782 1033373909 /nfs/dbraw/zinc/37/39/09/1033373909.db2.gz ZLBISJIFIZRALJ-IBGZPJMESA-N 0 3 341.499 3.806 20 30 EHEDHN CC(C)(C)[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1F ZINC000594446327 1033377701 /nfs/dbraw/zinc/37/77/01/1033377701.db2.gz QSZXEZAKZPOQRL-CVEARBPZSA-N 0 3 337.414 3.579 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000594445048 1033379232 /nfs/dbraw/zinc/37/92/32/1033379232.db2.gz OBMZKZFHGFVDIL-GOSISDBHSA-N 0 3 329.444 3.748 20 30 EHEDHN COC(=O)c1ccc2c(c1)[C@@H](N[C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000594499760 1033402538 /nfs/dbraw/zinc/40/25/38/1033402538.db2.gz JAHCJVZJCHTSHG-LEWJYISDSA-N 0 3 346.430 3.999 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000594468117 1033408946 /nfs/dbraw/zinc/40/89/46/1033408946.db2.gz JCIFZYYUAIXPJR-KRWDZBQOSA-N 0 3 340.452 3.583 20 30 EHEDHN N#Cc1ccc(C2(NCc3ccc(C(=O)NC4CC4)cc3)CCC2)cc1 ZINC000594520412 1033426377 /nfs/dbraw/zinc/42/63/77/1033426377.db2.gz OYPHODBNUPVDKP-UHFFFAOYSA-N 0 3 345.446 3.619 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1F ZINC000170672351 1033431874 /nfs/dbraw/zinc/43/18/74/1033431874.db2.gz XNANYGCGMDCYIN-ZBFHGGJFSA-N 0 3 332.419 3.725 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2ccccc2)cc1 ZINC000173790902 1033527527 /nfs/dbraw/zinc/52/75/27/1033527527.db2.gz KGQPQMHOMXTWQM-ZWKOTPCHSA-N 0 3 335.451 3.981 20 30 EHEDHN CCN(CC)c1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594925136 1033547823 /nfs/dbraw/zinc/54/78/23/1033547823.db2.gz LDFYQBPHJRHDPZ-UHFFFAOYSA-N 0 3 334.467 3.773 20 30 EHEDHN CCOC(=O)c1[nH]c(C)c(CN[C@H](C)c2cccc(C#N)c2)c1C ZINC000598966442 1033600842 /nfs/dbraw/zinc/60/08/42/1033600842.db2.gz XHKFRRLRAVRRGQ-CYBMUJFWSA-N 0 3 325.412 3.531 20 30 EHEDHN COc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1F ZINC000594983253 1033618374 /nfs/dbraw/zinc/61/83/74/1033618374.db2.gz JSBZCNOJCQZLFF-UHFFFAOYSA-N 0 3 340.398 3.501 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2scnc2C)cc1 ZINC000173985045 1033664582 /nfs/dbraw/zinc/66/45/82/1033664582.db2.gz LTQRVJGLBFJLGY-NHYWBVRUSA-N 0 3 341.436 3.926 20 30 EHEDHN C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(C#N)cc1 ZINC000063915324 1033868384 /nfs/dbraw/zinc/86/83/84/1033868384.db2.gz BNQUWEKNVVAQJT-MRXNPFEDSA-N 0 3 333.435 3.645 20 30 EHEDHN N#Cc1ccc(CN(C[C@@H]2COC3(CCCCC3)O2)C2CC2)cc1 ZINC001168415233 1033889038 /nfs/dbraw/zinc/88/90/38/1033889038.db2.gz ZMRJGIPXRUAPLQ-LJQANCHMSA-N 0 3 326.440 3.598 20 30 EHEDHN N#Cc1cccc(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000609042775 1033991672 /nfs/dbraw/zinc/99/16/72/1033991672.db2.gz QLKIOSWDHVAWPK-FQEVSTJZSA-N 0 3 348.450 3.907 20 30 EHEDHN CC[C@H](c1ccccc1)N(CC(=O)N(CCC#N)CCC#N)C(C)C ZINC000595859209 1034010894 /nfs/dbraw/zinc/01/08/94/1034010894.db2.gz XOSUMUZRERDOOA-LJQANCHMSA-N 0 3 340.471 3.504 20 30 EHEDHN C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)[C@H](N)CCCCC#N ZINC000595959200 1034036612 /nfs/dbraw/zinc/03/66/12/1034036612.db2.gz AVYXUSCLNGGCGC-MJGOQNOKSA-N 0 3 347.890 3.675 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000595993293 1034041449 /nfs/dbraw/zinc/04/14/49/1034041449.db2.gz XVQSNKYFPAUZKI-LLVKDONJSA-N 0 3 349.740 3.588 20 30 EHEDHN C[C@@]1(Cc2cccc3ccccc32)CCCN1C(=O)[C@@H](N)CCCC#N ZINC000595994602 1034042974 /nfs/dbraw/zinc/04/29/74/1034042974.db2.gz UEGNEWYTNZOKJG-UNMCSNQZSA-N 0 3 349.478 3.785 20 30 EHEDHN C=CCOc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1 ZINC000599631468 1034057254 /nfs/dbraw/zinc/05/72/54/1034057254.db2.gz QSTASHZKEKUSGZ-QGZVFWFLSA-N 0 3 338.451 3.502 20 30 EHEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000171563392 1034464552 /nfs/dbraw/zinc/46/45/52/1034464552.db2.gz UNYKYTJGKXQGNL-UONOGXRCSA-N 0 3 325.368 3.736 20 30 EHEDHN CCc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)N(C)C)cc1 ZINC000096704635 1034563668 /nfs/dbraw/zinc/56/36/68/1034563668.db2.gz PZTZOZRAHXGMES-LJQANCHMSA-N 0 3 336.439 3.545 20 30 EHEDHN COc1ccc(F)c(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000179798838 1034615038 /nfs/dbraw/zinc/61/50/38/1034615038.db2.gz CFCKYHAYLXRTPL-UHFFFAOYSA-N 0 3 339.414 3.782 20 30 EHEDHN COc1cc([C@@H](C)NCc2ccc(CC#N)cc2)cc(OC)c1OC ZINC000343818567 1034797316 /nfs/dbraw/zinc/79/73/16/1034797316.db2.gz NGOUVVAZCVGKSU-CQSZACIVSA-N 0 3 340.423 3.629 20 30 EHEDHN C=CCCCN(C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000605677317 1034834386 /nfs/dbraw/zinc/83/43/86/1034834386.db2.gz PDICQFKDBRMMQL-SFHVURJKSA-N 0 3 328.500 3.754 20 30 EHEDHN N#CC(C(=O)C=Cc1ccco1)c1nc2ccccc2n1C(F)F ZINC000255863941 1034837087 /nfs/dbraw/zinc/83/70/87/1034837087.db2.gz KNOOGHDIHRQXHT-KRZKBDHCSA-N 0 3 327.290 3.914 20 30 EHEDHN CC1(C)CC[C@H](CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)OC1 ZINC000892493115 1034886206 /nfs/dbraw/zinc/88/62/06/1034886206.db2.gz BUATUJQRXRHAFC-HUUCEWRRSA-N 0 3 348.830 3.583 20 30 EHEDHN N#CC(C(=O)CC[C@@H]1CCc2ccccc21)C(=O)Nc1ccccc1 ZINC000892494177 1034901611 /nfs/dbraw/zinc/90/16/11/1034901611.db2.gz BEWIYWDLWCGIDG-LPHOPBHVSA-N 0 3 332.403 3.844 20 30 EHEDHN COc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000188590645 1035130835 /nfs/dbraw/zinc/13/08/35/1035130835.db2.gz PDGJWTPNSAEAPS-UHFFFAOYSA-N 0 3 339.414 3.782 20 30 EHEDHN C[C@H](c1ccccc1F)N(C)CCC(=O)Nc1sccc1C#N ZINC000053124927 1035206929 /nfs/dbraw/zinc/20/69/29/1035206929.db2.gz VPAARWGUWGSSOH-GFCCVEGCSA-N 0 3 331.416 3.780 20 30 EHEDHN Cc1nsc(NC2CCN([C@@H](C)c3ccccc3)CC2)c1C#N ZINC000587979969 1035659446 /nfs/dbraw/zinc/65/94/46/1035659446.db2.gz WQEIKHCTTKPDGI-AWEZNQCLSA-N 0 3 326.469 3.961 20 30 EHEDHN N#Cc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000045027185 1035751668 /nfs/dbraw/zinc/75/16/68/1035751668.db2.gz SIANDTDUGULKQG-INIZCTEOSA-N 0 3 340.452 3.578 20 30 EHEDHN C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000174310884 1035923498 /nfs/dbraw/zinc/92/34/98/1035923498.db2.gz XHNFUSGASAAQPA-QGZVFWFLSA-N 0 3 348.450 3.687 20 30 EHEDHN Cn1ccnc1C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000589340521 1036353087 /nfs/dbraw/zinc/35/30/87/1036353087.db2.gz IHVXAPFBTFPUBQ-RTWAWAEBSA-N 0 3 342.446 3.853 20 30 EHEDHN N#CCCCN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102402092 1036445798 /nfs/dbraw/zinc/44/57/98/1036445798.db2.gz CKLLPOCWYFCQNI-AWEZNQCLSA-N 0 3 330.819 3.873 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccsc1 ZINC000031097267 1036551287 /nfs/dbraw/zinc/55/12/87/1036551287.db2.gz CVJDFGNPNAXXSY-QGZVFWFLSA-N 0 3 342.468 3.824 20 30 EHEDHN COc1cc(CN2CCC(CC#N)CC2)ccc1OCC(F)(F)F ZINC000541921369 1036821223 /nfs/dbraw/zinc/82/12/23/1036821223.db2.gz FPSHUFWAJCCQJT-UHFFFAOYSA-N 0 3 342.361 3.762 20 30 EHEDHN C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000171584859 1036943952 /nfs/dbraw/zinc/94/39/52/1036943952.db2.gz VCGXAYFGAOGTHB-HNNXBMFYSA-N 0 3 343.471 3.683 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659042071 1036972664 /nfs/dbraw/zinc/97/26/64/1036972664.db2.gz SDOXEQNSHUHKMT-ATZDWAIDSA-N 0 3 343.471 3.604 20 30 EHEDHN C=CCSc1ccccc1NC(=O)CN([C@@H](C)CO)C1CCCC1 ZINC000472596281 1036990505 /nfs/dbraw/zinc/99/05/05/1036990505.db2.gz AKFKQDQNCDCTNN-HNNXBMFYSA-N 0 3 348.512 3.529 20 30 EHEDHN N#Cc1ccc(O[C@H]2CCN(CCCc3ccccc3Cl)C2)nc1 ZINC000428797264 1037165046 /nfs/dbraw/zinc/16/50/46/1037165046.db2.gz PRYXFGLRSKHIKG-KRWDZBQOSA-N 0 3 341.842 3.693 20 30 EHEDHN Cc1ccccc1[C@H](NC(=O)[C@@H](N)CCCC#N)C1CCC(C)CC1 ZINC000591608327 1037526262 /nfs/dbraw/zinc/52/62/62/1037526262.db2.gz AIFFNPJXYJEBOS-FCUIKFHKSA-N 0 3 341.499 4.000 20 30 EHEDHN CCN(CCC1CC1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000760879125 1037566353 /nfs/dbraw/zinc/56/63/53/1037566353.db2.gz AVTPPEYUMKDFPM-AWEZNQCLSA-N 0 3 327.453 3.595 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000540329364 1037830443 /nfs/dbraw/zinc/83/04/43/1037830443.db2.gz MYQZXPDURAKFCD-IOBOIYPZSA-N 0 3 341.499 3.965 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000540343266 1037847566 /nfs/dbraw/zinc/84/75/66/1037847566.db2.gz XZLLMIZKKGVTKT-XFQAVAEZSA-N 0 3 337.467 3.933 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000540343265 1037847958 /nfs/dbraw/zinc/84/79/58/1037847958.db2.gz XZLLMIZKKGVTKT-VWKPWSFCSA-N 0 3 337.467 3.933 20 30 EHEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000760935303 1037851821 /nfs/dbraw/zinc/85/18/21/1037851821.db2.gz IFBNXOQQPBFMAC-KRWDZBQOSA-N 0 3 344.455 3.533 20 30 EHEDHN N#CCCC[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1 ZINC000416013649 1037871084 /nfs/dbraw/zinc/87/10/84/1037871084.db2.gz RVUYELPVIFDPKP-LJQANCHMSA-N 0 3 334.423 3.846 20 30 EHEDHN N#C[C@@H]1CCC[C@H](N[C@H](CCO)c2cccc(OC(F)(F)F)c2)C1 ZINC000592394032 1037933680 /nfs/dbraw/zinc/93/36/80/1037933680.db2.gz MTTRJGOVARWYTM-IVMMDQJWSA-N 0 3 342.361 3.681 20 30 EHEDHN COc1cccc([C@@H](CNc2nc(C)ccc2C#N)N2CCCC2)c1 ZINC000341361875 1038008552 /nfs/dbraw/zinc/00/85/52/1038008552.db2.gz HQHMVJSIZBLMOJ-LJQANCHMSA-N 0 3 336.439 3.519 20 30 EHEDHN C=CCN1CCC(NC(=O)NC(C)(C)c2ccc(C(C)C)cc2)CC1 ZINC000592520532 1038021945 /nfs/dbraw/zinc/02/19/45/1038021945.db2.gz DICPOOUCSHATKJ-UHFFFAOYSA-N 0 3 343.515 3.995 20 30 EHEDHN C=C(CC)CN[C@H](C)c1ccc(Br)cc1OCCCO ZINC000463376159 1038097225 /nfs/dbraw/zinc/09/72/25/1038097225.db2.gz OVGLVUHCDLJBCY-CYBMUJFWSA-N 0 3 342.277 3.827 20 30 EHEDHN C[C@H](NCC#Cc1ccccc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000893206842 1038483621 /nfs/dbraw/zinc/48/36/21/1038483621.db2.gz HRZNNSNCOXPGFZ-WMZHIEFXSA-N 0 3 349.474 3.953 20 30 EHEDHN Cc1ccc([C@@H]2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc1 ZINC000541394801 1038616681 /nfs/dbraw/zinc/61/66/81/1038616681.db2.gz XLLUFBCTEULXBY-LJQANCHMSA-N 0 3 344.418 3.906 20 30 EHEDHN CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc21 ZINC000378452279 1038636840 /nfs/dbraw/zinc/63/68/40/1038636840.db2.gz LFKYEICXUJZXCX-YWZLYKJASA-N 0 3 349.434 3.737 20 30 EHEDHN C=CC[C@@H](C)N[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000539070359 1038670408 /nfs/dbraw/zinc/67/04/08/1038670408.db2.gz FNQVMWXCGXFMGW-VXGBXAGGSA-N 0 3 349.276 3.953 20 30 EHEDHN COc1cc([C@H](C)NCc2ccc(C#N)c(C)c2)cc(OC)c1OC ZINC000488158585 1038918615 /nfs/dbraw/zinc/91/86/15/1038918615.db2.gz PCZCJCGBIUIZHR-AWEZNQCLSA-N 0 3 340.423 3.743 20 30 EHEDHN C=CCSc1ccccc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000485459805 1039102015 /nfs/dbraw/zinc/10/20/15/1039102015.db2.gz BDNKSNCQXHIQLZ-SFHVURJKSA-N 0 3 340.492 3.997 20 30 EHEDHN CC(C)(CCC#N)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000554451418 1039345845 /nfs/dbraw/zinc/34/58/45/1039345845.db2.gz XDKQLEFJSTZQFL-HNNXBMFYSA-N 0 3 348.516 3.514 20 30 EHEDHN CN(CCCc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485788877 1039562504 /nfs/dbraw/zinc/56/25/04/1039562504.db2.gz GZKJXGDIVHWSEL-NRFANRHFSA-N 0 3 347.462 3.618 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000912219387 1039755992 /nfs/dbraw/zinc/75/59/92/1039755992.db2.gz UMHIASMRUAILKV-MRXNPFEDSA-N 0 3 337.439 3.801 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000912219386 1039756300 /nfs/dbraw/zinc/75/63/00/1039756300.db2.gz UMHIASMRUAILKV-INIZCTEOSA-N 0 3 337.439 3.801 20 30 EHEDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000553156842 1039839963 /nfs/dbraw/zinc/83/99/63/1039839963.db2.gz ALNALULWQDWYSW-UHFFFAOYSA-N 0 3 333.863 3.550 20 30 EHEDHN C=CCC[C@H](NC[C@@]1(COC)OCCc2ccccc21)c1ccco1 ZINC000554994189 1040028909 /nfs/dbraw/zinc/02/89/09/1040028909.db2.gz KKFFFBQEXUJMTB-FPOVZHCZSA-N 0 3 341.451 3.991 20 30 EHEDHN C=CCC[C@@H](NC[C@@]1(COC)OCCc2ccccc21)c1ccco1 ZINC000554994187 1040029527 /nfs/dbraw/zinc/02/95/27/1040029527.db2.gz KKFFFBQEXUJMTB-CTNGQTDRSA-N 0 3 341.451 3.991 20 30 EHEDHN C=CC[C@H](C(=O)N[C@H](C)CN(C)Cc1ccccc1)c1ccccc1 ZINC000489661639 1040126027 /nfs/dbraw/zinc/12/60/27/1040126027.db2.gz RBOGNZWYVOQOBW-NQIIRXRSSA-N 0 3 336.479 3.983 20 30 EHEDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(C#N)cc3[N+](=O)[O-])cccc21 ZINC000432937284 1040220842 /nfs/dbraw/zinc/22/08/42/1040220842.db2.gz HBSWSNZRAVJYKK-MRXNPFEDSA-N 0 3 338.367 3.595 20 30 EHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000553673129 1040307070 /nfs/dbraw/zinc/30/70/70/1040307070.db2.gz HHMVVBSMCKVANV-QFBILLFUSA-N 0 3 332.488 3.795 20 30 EHEDHN Cc1ccccc1CN(C)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433028636 1040500611 /nfs/dbraw/zinc/50/06/11/1040500611.db2.gz CNBYDTFVSJYBBU-OAQYLSRUSA-N 0 3 349.478 3.978 20 30 EHEDHN C=CCC[C@@H](NCc1nc2c(s1)COCC2)[C@@]1(C)CCCCO1 ZINC000927116182 1040542482 /nfs/dbraw/zinc/54/24/82/1040542482.db2.gz UDUBEZCKQQLXAM-SJLPKXTDSA-N 0 3 336.501 3.599 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)n([C@@H]3CCCOC3)c2C)n1 ZINC000626283281 1040614040 /nfs/dbraw/zinc/61/40/40/1040614040.db2.gz OGFHIQWULJXUNB-GDBMZVCRSA-N 0 3 343.452 3.711 20 30 EHEDHN C=C(CNCc1cnc(-c2ccccc2OC)nc1)c1ccccc1 ZINC000490775682 1040732040 /nfs/dbraw/zinc/73/20/40/1040732040.db2.gz HHLJQHVBSKOQGF-UHFFFAOYSA-N 0 3 331.419 3.955 20 30 EHEDHN CC(C)[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000015056910 1040949622 /nfs/dbraw/zinc/94/96/22/1040949622.db2.gz UPMTYWLAGACVLF-IBGZPJMESA-N 0 3 327.472 3.658 20 30 EHEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)cn1 ZINC000092748012 1040969353 /nfs/dbraw/zinc/96/93/53/1040969353.db2.gz JAXHBAFXAGPCDQ-BBRMVZONSA-N 0 3 342.393 3.551 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)SC)cc1 ZINC000156361425 1041164192 /nfs/dbraw/zinc/16/41/92/1041164192.db2.gz BISXBDGQVJFOCA-WOSRLPQWSA-N 0 3 332.469 3.989 20 30 EHEDHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCC1(CC#N)CC1 ZINC000430042901 1041224357 /nfs/dbraw/zinc/22/43/57/1041224357.db2.gz DIHVPGCDMZOEKZ-UHFFFAOYSA-N 0 3 342.874 3.985 20 30 EHEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000432092594 1041582597 /nfs/dbraw/zinc/58/25/97/1041582597.db2.gz PTOFFKSSAQZIKL-AEFFLSMTSA-N 0 3 329.488 3.723 20 30 EHEDHN N#CCc1ccc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000544146029 1041741682 /nfs/dbraw/zinc/74/16/82/1041741682.db2.gz OJUUWRRXAJYHQA-IBGZPJMESA-N 0 3 336.410 3.987 20 30 EHEDHN CCCc1sc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc1CC ZINC000125121810 1041899015 /nfs/dbraw/zinc/89/90/15/1041899015.db2.gz OFMORVVUQVGJIF-ZDUSSCGKSA-N 0 3 341.436 3.619 20 30 EHEDHN C=CCN(CC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)C(C)(C)C ZINC000661756605 1042307589 /nfs/dbraw/zinc/30/75/89/1042307589.db2.gz SMJZQLADVFOATN-OAHLLOKOSA-N 0 3 348.487 3.558 20 30 EHEDHN C=CCOc1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000093841977 1042552645 /nfs/dbraw/zinc/55/26/45/1042552645.db2.gz UCRDLZSHEJPTMC-OAQYLSRUSA-N 0 3 345.483 3.802 20 30 EHEDHN C=CCOc1cccc(CNCc2ccccc2Cn2ccnc2)c1 ZINC000343894354 1042625228 /nfs/dbraw/zinc/62/52/28/1042625228.db2.gz RRYWNMXUOIFBOQ-UHFFFAOYSA-N 0 3 333.435 3.786 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C[C@@H]1CC=CCC1 ZINC000344066075 1043201669 /nfs/dbraw/zinc/20/16/69/1043201669.db2.gz PJHOAMMABCVQLX-IAGOWNOFSA-N 0 3 343.446 3.749 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000344459375 1044032022 /nfs/dbraw/zinc/03/20/22/1044032022.db2.gz WNYYIWJJHLEVEZ-UZLBHIALSA-N 0 3 348.450 3.651 20 30 EHEDHN CC(C)(C)Oc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000344641346 1044220139 /nfs/dbraw/zinc/22/01/39/1044220139.db2.gz ULYXEBHICSOWGW-CYBMUJFWSA-N 0 3 334.379 3.625 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000620313106 1125541487 /nfs/dbraw/zinc/54/14/87/1125541487.db2.gz VXHFUTJSJYVHLC-RLLQIKCJSA-N 0 3 342.458 3.747 20 30 EHEDHN N#CC1(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CC2)CCCCC1 ZINC000171127824 1126752399 /nfs/dbraw/zinc/75/23/99/1126752399.db2.gz PTPJULFVMCIARU-SFHVURJKSA-N 0 3 345.874 3.723 20 30 EHEDHN CCOc1cccc(/C=N/C[C@H](c2cccc(OC)c2)N(C)C)c1O ZINC000072658364 1126835424 /nfs/dbraw/zinc/83/54/24/1126835424.db2.gz TYKYRTSCNZDGBJ-KOMLCTQHSA-N 0 3 342.439 3.521 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)CCc2ccccc2)CC1 ZINC000623578941 1126990493 /nfs/dbraw/zinc/99/04/93/1126990493.db2.gz FYNBHBMOLIQJPG-IBGZPJMESA-N 0 3 343.515 3.738 20 30 EHEDHN COc1ccc(C(C)=NOCC(F)(F)F)cc1CN1CCCCC1 ZINC000764835564 1127540585 /nfs/dbraw/zinc/54/05/85/1127540585.db2.gz LKYUTJOXEOZWQD-UHFFFAOYSA-N 0 3 344.377 3.984 20 30 EHEDHN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000764887804 1127546426 /nfs/dbraw/zinc/54/64/26/1127546426.db2.gz HDEITKIRJFKJIU-HZZRZYQKSA-N 0 3 328.843 3.985 20 30 EHEDHN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000764887804 1127546430 /nfs/dbraw/zinc/54/64/30/1127546430.db2.gz HDEITKIRJFKJIU-HZZRZYQKSA-N 0 3 328.843 3.985 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc(N2CCCC2=O)c1 ZINC000921531396 1127674109 /nfs/dbraw/zinc/67/41/09/1127674109.db2.gz JIFQKDLECXRKDW-UHFFFAOYSA-N 0 3 333.435 3.592 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccccc2OC(C)(C)C)CC1 ZINC000172120569 1127768554 /nfs/dbraw/zinc/76/85/54/1127768554.db2.gz HKTSAWMBHNUWNY-UHFFFAOYSA-N 0 3 331.460 3.636 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(CCC2)CC1 ZINC000671728878 1128143638 /nfs/dbraw/zinc/14/36/38/1128143638.db2.gz WCWJQYAIQXANFP-INIZCTEOSA-N 0 3 332.513 3.917 20 30 EHEDHN Cc1cc(C#N)ccc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000186323934 1128390928 /nfs/dbraw/zinc/39/09/28/1128390928.db2.gz NOJILBFDOVZHAD-OAQYLSRUSA-N 0 3 334.419 3.879 20 30 EHEDHN N#Cc1ccc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000301250491 1128580339 /nfs/dbraw/zinc/58/03/39/1128580339.db2.gz CZZCGHJPGQTPQA-INIZCTEOSA-N 0 3 346.356 3.658 20 30 EHEDHN CN(C)[C@H](CNc1c(C#N)cnc2ccccc21)c1cccc(F)c1 ZINC000301368822 1128587750 /nfs/dbraw/zinc/58/77/50/1128587750.db2.gz UCXRMUNUPVNRPQ-LJQANCHMSA-N 0 3 334.398 3.960 20 30 EHEDHN N#Cc1ccc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)cn1 ZINC000301521163 1128595201 /nfs/dbraw/zinc/59/52/01/1128595201.db2.gz NIOXPCRWNVJFMO-GOSISDBHSA-N 0 3 326.831 3.856 20 30 EHEDHN N#Cc1ccccc1OCCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554845631 1128714804 /nfs/dbraw/zinc/71/48/04/1128714804.db2.gz CUAVOMAMIQYLRV-INIZCTEOSA-N 0 3 338.373 3.992 20 30 EHEDHN C=CCNC(=O)CN[C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000494811458 1120856438 /nfs/dbraw/zinc/85/64/38/1120856438.db2.gz LDPSQXKMAVMVOG-HNNXBMFYSA-N 0 3 334.872 3.577 20 30 EHEDHN C[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000494973825 1120918699 /nfs/dbraw/zinc/91/86/99/1120918699.db2.gz TYROYWXNCZKLPN-GFCCVEGCSA-N 0 3 335.423 3.651 20 30 EHEDHN CC(C)C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000542557083 1121182073 /nfs/dbraw/zinc/18/20/73/1121182073.db2.gz YBTPVNAAPJQOCH-MRXNPFEDSA-N 0 3 327.453 3.935 20 30 EHEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000193589841 1121475058 /nfs/dbraw/zinc/47/50/58/1121475058.db2.gz MVKURAHZRVHVTC-GOSISDBHSA-N 0 3 338.407 3.601 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1c1ccsc1 ZINC000077265649 1129005223 /nfs/dbraw/zinc/00/52/23/1129005223.db2.gz XXILKHIPNORSTH-MRXNPFEDSA-N 0 3 328.437 3.844 20 30 EHEDHN N#Cc1ccc([C@H](O)CN2CCC(OCC3CCCCC3)CC2)cc1 ZINC000763242922 1121918529 /nfs/dbraw/zinc/91/85/29/1121918529.db2.gz YDUYBIFSYYMPEJ-OAQYLSRUSA-N 0 3 342.483 3.653 20 30 EHEDHN CCCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)c1ccccc1 ZINC000123365395 1122104828 /nfs/dbraw/zinc/10/48/28/1122104828.db2.gz ATAXNPZPHMOGGN-JXFKEZNVSA-N 0 3 327.472 3.658 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccsc1 ZINC000916903366 1122383388 /nfs/dbraw/zinc/38/33/88/1122383388.db2.gz MVJCLOLNNVIGFC-HNNXBMFYSA-N 0 3 326.421 3.834 20 30 EHEDHN CC(C)SCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000916946294 1122407879 /nfs/dbraw/zinc/40/78/79/1122407879.db2.gz PTMVKMBBKYDIQN-GFCCVEGCSA-N 0 3 345.251 3.782 20 30 EHEDHN CC(C)CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917096974 1122497624 /nfs/dbraw/zinc/49/76/24/1122497624.db2.gz OCFOKAKYCHJVFY-AWEZNQCLSA-N 0 3 327.453 3.593 20 30 EHEDHN C=CCOc1ccc(CN[C@@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000556409884 1122967737 /nfs/dbraw/zinc/96/77/37/1122967737.db2.gz HDBDXFJUOKTTGI-NRFANRHFSA-N 0 3 340.467 3.653 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCOc2ccccc2OC)c([O-])c1 ZINC000920942179 1123441340 /nfs/dbraw/zinc/44/13/40/1123441340.db2.gz PJLKKLRCSDAEFI-QNGOZBTKSA-N 0 3 342.439 3.745 20 30 EHEDHN C#Cc1cccc(NC(=O)N(CCCc2ccccc2)CCN(C)C)c1 ZINC000921235017 1123493646 /nfs/dbraw/zinc/49/36/46/1123493646.db2.gz YJCNDCTWITXMMP-UHFFFAOYSA-N 0 3 349.478 3.696 20 30 EHEDHN CN1CCN(Cc2cccc(Nc3ccc(C4(C#N)CC4)cc3)c2)CC1 ZINC001212257824 1123570074 /nfs/dbraw/zinc/57/00/74/1123570074.db2.gz JOVBPOZKLKYKEZ-UHFFFAOYSA-N 0 3 346.478 3.733 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175096318 1123593113 /nfs/dbraw/zinc/59/31/13/1123593113.db2.gz DVDOPNQEONXODJ-WDEREUQCSA-N 0 3 326.849 3.520 20 30 EHEDHN C[C@@H]1c2ccsc2CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000067903191 1123776193 /nfs/dbraw/zinc/77/61/93/1123776193.db2.gz DGIPLJAMIDFZLS-CYBMUJFWSA-N 0 3 325.437 3.568 20 30 EHEDHN Cc1cccnc1CCCNCc1cc(C#N)ccc1Br ZINC000922157601 1129178873 /nfs/dbraw/zinc/17/88/73/1129178873.db2.gz GLLQSOPDLRKSRM-UHFFFAOYSA-N 0 3 344.256 3.747 20 30 EHEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)Nc1ccc(Cl)cc1 ZINC000181010459 1124480169 /nfs/dbraw/zinc/48/01/69/1124480169.db2.gz FFITYAUDWOGHSZ-CYBMUJFWSA-N 0 3 348.736 3.508 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@@H](C)c1cccc(O)c1 ZINC000246816569 1124553338 /nfs/dbraw/zinc/55/33/38/1124553338.db2.gz NNVAVHOWNXLCNV-OXJNMPFZSA-N 0 3 341.451 3.553 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC(N2CCc3ccccc32)CC1 ZINC000619722804 1125389319 /nfs/dbraw/zinc/38/93/19/1125389319.db2.gz DOFUBROGWKEDBZ-UHFFFAOYSA-N 0 3 331.463 3.894 20 30 EHEDHN C=CCC1(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CCC1 ZINC000673312577 1129290493 /nfs/dbraw/zinc/29/04/93/1129290493.db2.gz BJXSYMASKYOMDO-IBGZPJMESA-N 0 3 344.499 3.939 20 30 EHEDHN CN(CC#Cc1ccccc1Cl)CCCN(C)Cc1ccco1 ZINC000560537927 1129372688 /nfs/dbraw/zinc/37/26/88/1129372688.db2.gz DPIZFSAMXPOEDV-UHFFFAOYSA-N 0 3 330.859 3.738 20 30 EHEDHN Cc1cnc(Cl)c(CNC2CCN(c3ccccc3C#N)CC2)c1 ZINC000922305779 1129452493 /nfs/dbraw/zinc/45/24/93/1129452493.db2.gz RJURZQHLOBMERC-UHFFFAOYSA-N 0 3 340.858 3.674 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC/C=C\CC ZINC000466479337 1129483115 /nfs/dbraw/zinc/48/31/15/1129483115.db2.gz UMYVNQHMQISFLX-WAYWQWQTSA-N 0 3 334.533 3.941 20 30 EHEDHN CN(c1nc2c(cc1C#N)CCC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388526287 1129531565 /nfs/dbraw/zinc/53/15/65/1129531565.db2.gz RBBMZRXLEHKWEU-FQEVSTJZSA-N 0 3 346.478 3.543 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCc3ccccc3[C@H]2C(C)C)CC1 ZINC000675710953 1130456475 /nfs/dbraw/zinc/45/64/75/1130456475.db2.gz IQAWVAOCGLKKSS-HXUWFJFHSA-N 0 3 341.499 3.602 20 30 EHEDHN CCCCCCOCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000730919315 1130750728 /nfs/dbraw/zinc/75/07/28/1130750728.db2.gz BMFSKUWDSHWERP-ZDUSSCGKSA-N 0 3 336.819 3.584 20 30 EHEDHN COc1ccc(C(C)N=Nc2ccc(F)cn2)cc1CN1CCCC1 ZINC000731320973 1130786124 /nfs/dbraw/zinc/78/61/24/1130786124.db2.gz AUDVWFKLVICRLP-UHFFFAOYSA-N 0 3 342.418 3.661 20 30 EHEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2ccc(F)cn2)ccc1[O-] ZINC000731318346 1130789236 /nfs/dbraw/zinc/78/92/36/1130789236.db2.gz ICTPYBBQSVRGEB-UHFFFAOYSA-N 0 3 330.407 3.604 20 30 EHEDHN CCCCCCN(C)CC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000731896671 1130858410 /nfs/dbraw/zinc/85/84/10/1130858410.db2.gz IKJYZNNQFPYEHP-QGZVFWFLSA-N 0 3 329.488 3.980 20 30 EHEDHN N#CC(C(=O)C[C@@H]1C(=O)Nc2ccccc21)c1ccc2ccccc2n1 ZINC000741110623 1131576401 /nfs/dbraw/zinc/57/64/01/1131576401.db2.gz KIXLUGUBUUXDJZ-HOTGVXAUSA-N 0 3 341.370 3.537 20 30 EHEDHN C#CCCOc1ccc(CN[C@@H](CC)c2c(C)nn(C)c2C)cc1 ZINC000742387940 1131713977 /nfs/dbraw/zinc/71/39/77/1131713977.db2.gz KJNVFVZQNHHBFU-IBGZPJMESA-N 0 3 325.456 3.680 20 30 EHEDHN CC(C)OC(=O)CC[C@@H](C)N1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001172761096 1131838311 /nfs/dbraw/zinc/83/83/11/1131838311.db2.gz DLXLYWYVVZYWFG-APWZRJJASA-N 0 3 344.455 3.522 20 30 EHEDHN N#CC1(c2ccccc2F)CCN([C@@H]2CCc3ncsc3C2)CC1 ZINC001173147160 1131983882 /nfs/dbraw/zinc/98/38/82/1131983882.db2.gz LUSRORAFUYRSCN-CQSZACIVSA-N 0 3 341.455 3.697 20 30 EHEDHN C[C@@](C#N)(Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1ccccc1Cl ZINC001169389345 1132744833 /nfs/dbraw/zinc/74/48/33/1132744833.db2.gz RJCSWKDPWMTXLL-KRWDZBQOSA-N 0 3 342.786 3.702 20 30 EHEDHN C#CCOc1ccc(Nc2ccc(N3CCN(CC)CC3)cc2)cc1 ZINC001175781427 1132764123 /nfs/dbraw/zinc/76/41/23/1132764123.db2.gz HSGXBRRYFYZKNB-UHFFFAOYSA-N 0 3 335.451 3.584 20 30 EHEDHN CCOC(=O)[C@]1(C(C)C)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001169772138 1132853459 /nfs/dbraw/zinc/85/34/59/1132853459.db2.gz SRQSZILXSGNLAY-LJQANCHMSA-N 0 3 333.859 3.603 20 30 EHEDHN C[C@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC001176337351 1132902550 /nfs/dbraw/zinc/90/25/50/1132902550.db2.gz XOVMFYVBCXZYNJ-IBGZPJMESA-N 0 3 334.463 3.997 20 30 EHEDHN CCN(CCC#N)C(=O)CN1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001176372981 1132924377 /nfs/dbraw/zinc/92/43/77/1132924377.db2.gz KVOAMJZQVWKMEK-QGZVFWFLSA-N 0 3 347.890 3.670 20 30 EHEDHN CC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1c(C)nn(C)c1C ZINC000742388570 1133062936 /nfs/dbraw/zinc/06/29/36/1133062936.db2.gz YTAYBAJVOUGHBT-ACJLOTCBSA-N 0 3 326.444 3.569 20 30 EHEDHN COCCN(Cc1cccs1)Cc1ccc(N(C)CCC#N)cc1 ZINC000768199074 1133106976 /nfs/dbraw/zinc/10/69/76/1133106976.db2.gz XQAXMLUYCXSVOT-UHFFFAOYSA-N 0 3 343.496 3.747 20 30 EHEDHN Cc1ccc2nc(NC(=O)C(C#N)Cc3cccs3)sc2c1 ZINC001177902810 1133110994 /nfs/dbraw/zinc/11/09/94/1133110994.db2.gz BDSDXOCTLOAJEE-NSHDSACASA-N 0 3 327.434 3.987 20 30 EHEDHN C#CC[C@H](CCOC)NCc1cccc(Cl)c1Br ZINC001179286101 1133240661 /nfs/dbraw/zinc/24/06/61/1133240661.db2.gz ZQXYIBAAKRMHQP-GFCCVEGCSA-N 0 3 330.653 3.621 20 30 EHEDHN COc1ccc(CN2CCCN(c3ccc(C)cc3)CC2)cc1C#N ZINC000771937471 1133616505 /nfs/dbraw/zinc/61/65/05/1133616505.db2.gz DERFQTRTHXNZNM-UHFFFAOYSA-N 0 3 335.451 3.588 20 30 EHEDHN N#C[C@@H]1CCC[C@H](NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000774299221 1133654110 /nfs/dbraw/zinc/65/41/10/1133654110.db2.gz DTZUHTWYHHMFEG-UGFHNGPFSA-N 0 3 346.780 3.762 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000774299220 1133654552 /nfs/dbraw/zinc/65/45/52/1133654552.db2.gz DTZUHTWYHHMFEG-KCPJHIHWSA-N 0 3 346.780 3.762 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC2CCCCC2)c1 ZINC000786548187 1133872453 /nfs/dbraw/zinc/87/24/53/1133872453.db2.gz IVGPUXWOBYKXHU-SFHVURJKSA-N 0 3 326.440 3.681 20 30 EHEDHN CC[C@H](C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786549360 1133873285 /nfs/dbraw/zinc/87/32/85/1133873285.db2.gz IEDQUOCYXNTHDP-MAUKXSAKSA-N 0 3 328.456 3.927 20 30 EHEDHN C[C@@H](NC[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(C#N)cc1F ZINC000787026177 1133938838 /nfs/dbraw/zinc/93/88/38/1133938838.db2.gz NCKLCCAWFNPGGI-QGHHPUGFSA-N 0 3 336.769 3.874 20 30 EHEDHN C[C@H](NC[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000787028852 1133939892 /nfs/dbraw/zinc/93/98/92/1133939892.db2.gz WQJAZHDTMPWSIE-DYZYQPBXSA-N 0 3 336.769 3.874 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](c2ccnn2C)C(C)C)c([O-])c1 ZINC000788285539 1134108150 /nfs/dbraw/zinc/10/81/50/1134108150.db2.gz JCJWHVPUOZZNFP-LANLRWRYSA-N 0 3 342.487 3.831 20 30 EHEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NN[C@H](CO)c1ccccc1 ZINC000788457307 1134127213 /nfs/dbraw/zinc/12/72/13/1134127213.db2.gz JGFBKRQTTDQQAJ-JYOZPFADSA-N 0 3 335.451 3.607 20 30 EHEDHN CC1(C(=O)OCc2cccc(C#N)c2)CCN(Cc2ccccc2)CC1 ZINC000772723544 1134167682 /nfs/dbraw/zinc/16/76/82/1134167682.db2.gz JHBOLLBKEWPTMB-UHFFFAOYSA-N 0 3 348.446 3.904 20 30 EHEDHN C#Cc1ccc(CN[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 ZINC001203168973 1134295020 /nfs/dbraw/zinc/29/50/20/1134295020.db2.gz QDSWFFKMOROSOW-SJLPKXTDSA-N 0 3 331.337 3.692 20 30 EHEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccc(C)cc1)C1CCCCC1 ZINC000790680482 1134449880 /nfs/dbraw/zinc/44/98/80/1134449880.db2.gz YFIXIKZYDIZSSS-LJQANCHMSA-N 0 3 335.513 3.807 20 30 EHEDHN CC(C)CN(CC#Cc1ccccc1)C[C@H](O)c1ccc(F)cc1 ZINC000792228831 1134669112 /nfs/dbraw/zinc/66/91/12/1134669112.db2.gz BCTNMTPMTLRFRW-NRFANRHFSA-N 0 3 325.427 3.869 20 30 EHEDHN CC1(C)CN(Cc2ccc(OCC#N)cc2)CC[C@H]1C(F)(F)F ZINC000792353806 1134680357 /nfs/dbraw/zinc/68/03/57/1134680357.db2.gz BUCVRAUAVAUDCZ-OAHLLOKOSA-N 0 3 326.362 3.999 20 30 EHEDHN C#CC[C@@H](NC[C@@H](O)COc1cccc2ccccc21)c1ccccc1 ZINC000775401418 1134729850 /nfs/dbraw/zinc/72/98/50/1134729850.db2.gz UCZINFBMTBGPLI-IFMALSPDSA-N 0 3 345.442 3.934 20 30 EHEDHN C[C@H](NC[C@H](O)Cc1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000805749338 1135318529 /nfs/dbraw/zinc/31/85/29/1135318529.db2.gz LPCXZYNVMQTMMU-BLLLJJGKSA-N 0 3 332.806 3.605 20 30 EHEDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775626987 1135350992 /nfs/dbraw/zinc/35/09/92/1135350992.db2.gz OYTNPCCBUCHLDH-HNNXBMFYSA-N 0 3 345.487 3.833 20 30 EHEDHN C[C@@H]1CCCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000775732908 1135592078 /nfs/dbraw/zinc/59/20/78/1135592078.db2.gz XQBQUNWMWPVLRB-KGLIPLIRSA-N 0 3 327.453 3.595 20 30 EHEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000775783813 1135724856 /nfs/dbraw/zinc/72/48/56/1135724856.db2.gz VPDIGEQSNLMSIX-VQIMIIECSA-N 0 3 327.472 3.671 20 30 EHEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000775785987 1135738402 /nfs/dbraw/zinc/73/84/02/1135738402.db2.gz RBQJVGLVNGQTIF-GZBFAFLISA-N 0 3 327.453 3.593 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCCCC[C@@H]2C)cc1C ZINC000747530876 1135744970 /nfs/dbraw/zinc/74/49/70/1135744970.db2.gz OZZWBGKGUBGFFE-SFHVURJKSA-N 0 3 327.472 3.815 20 30 EHEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128371 1135925022 /nfs/dbraw/zinc/92/50/22/1135925022.db2.gz GQJNRAORSSUCKC-GOSISDBHSA-N 0 3 332.447 3.906 20 30 EHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCC(=O)N2 ZINC000810208871 1135943393 /nfs/dbraw/zinc/94/33/93/1135943393.db2.gz GZMKTOKPMBOYEG-RNODOKPDSA-N 0 3 331.419 3.781 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)cc1 ZINC000810532541 1135970861 /nfs/dbraw/zinc/97/08/61/1135970861.db2.gz UFKPTEQMJADMRO-WBVHZDCISA-N 0 3 344.480 3.820 20 30 EHEDHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)N[C@@H](C)c1cccc(C#N)c1 ZINC000776153879 1136005300 /nfs/dbraw/zinc/00/53/00/1136005300.db2.gz IJPJIKYHKPFKMD-LAUBAEHRSA-N 0 3 349.478 3.689 20 30 EHEDHN C=CCCC[C@H](C)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000776200891 1136050680 /nfs/dbraw/zinc/05/06/80/1136050680.db2.gz FKLVDSKMGGYYPM-KRWDZBQOSA-N 0 3 345.556 3.860 20 30 EHEDHN COc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)N)ccc1CC#N ZINC001170682634 1136227403 /nfs/dbraw/zinc/22/74/03/1136227403.db2.gz PSPROFHLEOZEQL-AWEZNQCLSA-N 0 3 332.407 3.634 20 30 EHEDHN COc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1C ZINC000850384341 1136246853 /nfs/dbraw/zinc/24/68/53/1136246853.db2.gz RPVONCJYTPAOQJ-UHFFFAOYSA-N 0 3 336.435 3.671 20 30 EHEDHN COc1c(C#N)c(F)ccc1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001170686607 1136248493 /nfs/dbraw/zinc/24/84/93/1136248493.db2.gz USPJOZODJQYGDY-LBPRGKRZSA-N 0 3 336.370 3.578 20 30 EHEDHN C#C[C@H](NC1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000812793087 1136251498 /nfs/dbraw/zinc/25/14/98/1136251498.db2.gz NYUDPDXRZJUXOO-ABHNRTSZSA-N 0 3 346.446 3.926 20 30 EHEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000812881910 1136264553 /nfs/dbraw/zinc/26/45/53/1136264553.db2.gz GXSADTQXSSGCAH-HXUWFJFHSA-N 0 3 345.462 3.508 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H](C)[C@@H](C)COC)cc1 ZINC000813059895 1136283581 /nfs/dbraw/zinc/28/35/81/1136283581.db2.gz KMPIZSSEVSTZCZ-OIPACUDHSA-N 0 3 344.455 3.766 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000850758821 1136301104 /nfs/dbraw/zinc/30/11/04/1136301104.db2.gz DZJHWVMDVKCTLX-IHPCNDPISA-N 0 3 346.430 3.993 20 30 EHEDHN COc1ccc([C@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)cc1F ZINC000852521358 1136462385 /nfs/dbraw/zinc/46/23/85/1136462385.db2.gz OAPRZCOZCZMRLN-RTBURBONSA-N 0 3 340.398 3.576 20 30 EHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000814660036 1136487195 /nfs/dbraw/zinc/48/71/95/1136487195.db2.gz QISLMEMKOKLNDG-MRXNPFEDSA-N 0 3 349.434 3.950 20 30 EHEDHN C=CC[C@H](CO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815601377 1136617028 /nfs/dbraw/zinc/61/70/28/1136617028.db2.gz USEUVJNIAFMXMC-AZUAARDMSA-N 0 3 325.452 3.840 20 30 EHEDHN C=CCc1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c([O-])c(OC)c1 ZINC000776769541 1136659390 /nfs/dbraw/zinc/65/93/90/1136659390.db2.gz GUSKEHONLBXIOS-GOSISDBHSA-N 0 3 331.456 3.520 20 30 EHEDHN C=CCc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c([O-])c(OC)c1 ZINC000776769541 1136659391 /nfs/dbraw/zinc/65/93/91/1136659391.db2.gz GUSKEHONLBXIOS-GOSISDBHSA-N 0 3 331.456 3.520 20 30 EHEDHN Cc1ccc(N(Cc2cccs2)C(=O)[C@H](N)CCCC#N)cc1 ZINC000818073731 1136858735 /nfs/dbraw/zinc/85/87/35/1136858735.db2.gz MANUCCTXECLRKL-QGZVFWFLSA-N 0 3 327.453 3.611 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1nc(Br)cs1)C1CC1 ZINC000818346684 1136870428 /nfs/dbraw/zinc/87/04/28/1136870428.db2.gz HTDZEYLFRUEFBD-GVXVVHGQSA-N 0 3 343.290 3.537 20 30 EHEDHN CC[C@@H](C)Oc1cc(C)ccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000819150279 1136914000 /nfs/dbraw/zinc/91/40/00/1136914000.db2.gz OLNOBKCEEZKIDS-UZLBHIALSA-N 0 3 338.451 3.867 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)s2)CC1 ZINC001136670763 1137085342 /nfs/dbraw/zinc/08/53/42/1137085342.db2.gz OGIYZUJKDKVEGR-UHFFFAOYSA-N 0 3 344.455 3.934 20 30 EHEDHN C[C@@H]1C[C@H](CN(CCC#N)CC2CC2)CCN1C(=O)OC(C)(C)C ZINC000823437869 1137099557 /nfs/dbraw/zinc/09/95/57/1137099557.db2.gz QFOISNMIFNJELT-NVXWUHKLSA-N 0 3 335.492 3.648 20 30 EHEDHN COc1ccc([C@H](CNc2cnccc2C#N)N2CCCCC2)cc1 ZINC000339045332 1137159714 /nfs/dbraw/zinc/15/97/14/1137159714.db2.gz NCJNACMVFRVHDJ-FQEVSTJZSA-N 0 3 336.439 3.601 20 30 EHEDHN CCCCN(Cc1ccccc1O)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844324502 1137212601 /nfs/dbraw/zinc/21/26/01/1137212601.db2.gz VNGJLAIDAVBDJR-UHFFFAOYSA-N 0 3 339.395 3.974 20 30 EHEDHN CN(CCSc1ccc(Cl)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365794 1137215611 /nfs/dbraw/zinc/21/56/11/1137215611.db2.gz FBXSUCGCQLDSNL-GOSISDBHSA-N 0 3 346.883 3.969 20 30 EHEDHN C#CC1CCN(Cc2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC001144071233 1137235022 /nfs/dbraw/zinc/23/50/22/1137235022.db2.gz UCVBXIURBYKGRZ-UHFFFAOYSA-N 0 3 342.464 3.673 20 30 EHEDHN C=CCc1cc(CN(Cc2cnn(CC)c2)C(C)C)c(O)c(OC)c1 ZINC000844739532 1137251461 /nfs/dbraw/zinc/25/14/61/1137251461.db2.gz UNIWUKQQJVEACB-UHFFFAOYSA-N 0 3 343.471 3.756 20 30 EHEDHN C#Cc1ccc(CN2CCC(NC(=O)Nc3cccc(C)c3)CC2)cc1 ZINC001144581330 1137310750 /nfs/dbraw/zinc/31/07/50/1137310750.db2.gz QGOKWVTVUGDJMR-UHFFFAOYSA-N 0 3 347.462 3.762 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC001171211470 1137331662 /nfs/dbraw/zinc/33/16/62/1137331662.db2.gz DMPPVSLJBYABPV-MRXNPFEDSA-N 0 3 339.870 3.965 20 30 EHEDHN N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCc4cccc([O-])c43)CC2)c1 ZINC000846210841 1137339909 /nfs/dbraw/zinc/33/99/09/1137339909.db2.gz APASNOUCMJDKMJ-HXUWFJFHSA-N 0 3 347.462 3.505 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001171221897 1137348121 /nfs/dbraw/zinc/34/81/21/1137348121.db2.gz WTVKLUZHJQKYHU-KBXCAEBGSA-N 0 3 342.389 3.921 20 30 EHEDHN CCCc1noc(C2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)n1 ZINC001171224063 1137349069 /nfs/dbraw/zinc/34/90/69/1137349069.db2.gz PFYGHGDYVGNPDV-HNNXBMFYSA-N 0 3 338.455 3.704 20 30 EHEDHN C=CCCCCCCCCC(=O)N(CCOC)C1CCN(C)CC1 ZINC001144797946 1137349428 /nfs/dbraw/zinc/34/94/28/1137349428.db2.gz VCRFTUPTUZQIFH-UHFFFAOYSA-N 0 3 338.536 3.862 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccc2)C(CC)CC)CC1 ZINC000122465373 1137440502 /nfs/dbraw/zinc/44/05/02/1137440502.db2.gz TUMSMAURTMFGNK-HXUWFJFHSA-N 0 3 326.484 3.625 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000282716545 1137441350 /nfs/dbraw/zinc/44/13/50/1137441350.db2.gz LSTFIWRLTKQODX-JMSVASOKSA-N 0 3 335.245 3.945 20 30 EHEDHN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000870135489 1137478669 /nfs/dbraw/zinc/47/86/69/1137478669.db2.gz ASHOICKVFLNHJZ-KRWDZBQOSA-N 0 3 338.382 3.841 20 30 EHEDHN N#Cc1ccccc1O[C@H]1CCCN([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171806671 1137513996 /nfs/dbraw/zinc/51/39/96/1137513996.db2.gz IVDFVAHKBGCHBR-MSOLQXFVSA-N 0 3 336.410 3.708 20 30 EHEDHN CC[C@H](CC#N)NC1CCN(c2ccc(Br)cc2)CC1 ZINC001171988585 1137528140 /nfs/dbraw/zinc/52/81/40/1137528140.db2.gz KICAYSDZZMJWLM-CQSZACIVSA-N 0 3 336.277 3.700 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001172313404 1137546478 /nfs/dbraw/zinc/54/64/78/1137546478.db2.gz WIKJYMUVZIOVGN-JXFKEZNVSA-N 0 3 333.435 3.592 20 30 EHEDHN CCCCCCC[C@H](CC)N1CCN(c2nccnc2C#N)CC1 ZINC001172356925 1137554259 /nfs/dbraw/zinc/55/42/59/1137554259.db2.gz ZSASQXWHRFFHMP-KRWDZBQOSA-N 0 3 329.492 3.609 20 30 EHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc2oc(=O)[nH]c2c1 ZINC000872122873 1137572773 /nfs/dbraw/zinc/57/27/73/1137572773.db2.gz PDDVCBGWMAYXBI-QGZVFWFLSA-N 0 3 333.391 3.962 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000876587765 1137656350 /nfs/dbraw/zinc/65/63/50/1137656350.db2.gz VIGOLOAIEZBLPG-MAUKXSAKSA-N 0 3 342.870 3.793 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000876585704 1137656406 /nfs/dbraw/zinc/65/64/06/1137656406.db2.gz SNOHHAOAPJOEHS-XHDPSFHLSA-N 0 3 327.255 3.862 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000876647108 1137658088 /nfs/dbraw/zinc/65/80/88/1137658088.db2.gz GDKPIQJPMRTBKC-CABCVRRESA-N 0 3 327.255 3.767 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000876676590 1137658803 /nfs/dbraw/zinc/65/88/03/1137658803.db2.gz RHZILJNOPSRHPM-CYBMUJFWSA-N 0 3 326.893 3.536 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000876901510 1137664915 /nfs/dbraw/zinc/66/49/15/1137664915.db2.gz FNSBIGUKMBMMCM-RNCFNFMXSA-N 0 3 335.662 3.511 20 30 EHEDHN CC(C)(C)OC(=O)C1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877118901 1137670583 /nfs/dbraw/zinc/67/05/83/1137670583.db2.gz PGEPONLPVFUCCA-UHFFFAOYSA-N 0 3 349.862 3.597 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001137121463 1137678868 /nfs/dbraw/zinc/67/88/68/1137678868.db2.gz MSYYZCVPQNPHBT-HXUWFJFHSA-N 0 3 347.418 3.504 20 30 EHEDHN N#CCOc1ccc(CN2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC001137121627 1137679052 /nfs/dbraw/zinc/67/90/52/1137679052.db2.gz WCFMSUIXWGTZHD-UHFFFAOYSA-N 0 3 347.418 3.504 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879918479 1137762402 /nfs/dbraw/zinc/76/24/02/1137762402.db2.gz FCNBHUZYTRTWDJ-INIZCTEOSA-N 0 3 338.455 3.793 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918479 1137762403 /nfs/dbraw/zinc/76/24/03/1137762403.db2.gz FCNBHUZYTRTWDJ-INIZCTEOSA-N 0 3 338.455 3.793 20 30 EHEDHN N#CCCOCCNC1(c2cc(Cl)cc(Br)c2)CC1 ZINC000880351259 1137775934 /nfs/dbraw/zinc/77/59/34/1137775934.db2.gz COCCBWIMFZRLGT-UHFFFAOYSA-N 0 3 343.652 3.611 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2cccc(C)c2)c([O-])c1 ZINC000128466793 1137780165 /nfs/dbraw/zinc/78/01/65/1137780165.db2.gz RWDREAUYAKFWFZ-DZSVRRGNSA-N 0 3 326.440 3.699 20 30 EHEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(C)cc1Cl)[C@@H]1CCCO1 ZINC000883237822 1137850023 /nfs/dbraw/zinc/85/00/23/1137850023.db2.gz KZDKWNNRSVVENC-SJORKVTESA-N 0 3 336.863 3.690 20 30 EHEDHN COc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1Cl ZINC000132310184 1137865158 /nfs/dbraw/zinc/86/51/58/1137865158.db2.gz NDIGHGBDWLUKHD-ZDUSSCGKSA-N 0 3 330.815 3.929 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccsc2)CC1 ZINC000106275265 1137883137 /nfs/dbraw/zinc/88/31/37/1137883137.db2.gz BHLUYVJQMFUNIX-KRWDZBQOSA-N 0 3 333.501 3.635 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCc3sccc3[C@@H]2CC)CC1 ZINC000106341072 1137883252 /nfs/dbraw/zinc/88/32/52/1137883252.db2.gz VWAHATQLAUEEMF-KRWDZBQOSA-N 0 3 347.528 3.807 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCCC)cc2C)CC1 ZINC000106322784 1137883344 /nfs/dbraw/zinc/88/33/44/1137883344.db2.gz STSBPFMXXFWWRB-UHFFFAOYSA-N 0 3 345.487 3.946 20 30 EHEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccccc1Oc1ccccc1)C2 ZINC000884047665 1137898907 /nfs/dbraw/zinc/89/89/07/1137898907.db2.gz FTPFOWSLBPUSCL-TZQQIIETSA-N 0 3 347.418 3.557 20 30 EHEDHN N#C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)C1CCCCC1 ZINC000331469710 1137909630 /nfs/dbraw/zinc/90/96/30/1137909630.db2.gz RHFIMCLQGXWBPN-FQEVSTJZSA-N 0 3 339.483 3.875 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000113316914 1137912592 /nfs/dbraw/zinc/91/25/92/1137912592.db2.gz ZJJSGBCDWCDJFN-UHFFFAOYSA-N 0 3 336.435 3.583 20 30 EHEDHN N#CC1(NC(=O)c2cccc(CN3CCCCC3)c2)CCCCC1 ZINC000331816971 1137921763 /nfs/dbraw/zinc/92/17/63/1137921763.db2.gz PAFVAJGUCVNHLH-UHFFFAOYSA-N 0 3 325.456 3.629 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C)cc2SC)CC1 ZINC000119952463 1137945526 /nfs/dbraw/zinc/94/55/26/1137945526.db2.gz HEYOECKZNXQZTB-UHFFFAOYSA-N 0 3 347.528 3.557 20 30 EHEDHN C[C@@H](NC[C@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1F ZINC000348323067 1137952573 /nfs/dbraw/zinc/95/25/73/1137952573.db2.gz JCPMZWUYJPNQRI-TZMCWYRMSA-N 0 3 332.806 3.777 20 30 EHEDHN CCCCCC[C@H](CC)CN(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884417295 1137959463 /nfs/dbraw/zinc/95/94/63/1137959463.db2.gz CUZWNLFCASBLDZ-FFEBTUMSSA-N 0 3 333.520 3.581 20 30 EHEDHN C#CCN(C(=O)c1coc2ccc(C(C)C)cc21)C1CCN(C)CC1 ZINC000886576196 1138098699 /nfs/dbraw/zinc/09/86/99/1138098699.db2.gz ZWSOPAHIMGCKFZ-UHFFFAOYSA-N 0 3 338.451 3.726 20 30 EHEDHN CSc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1C#N ZINC000886688310 1138115709 /nfs/dbraw/zinc/11/57/09/1138115709.db2.gz OLAZBSPPUJDIOO-ZLOXQWCVSA-N 0 3 344.505 3.868 20 30 EHEDHN C=CCN1CCC(NC(=O)C2CCC(c3ccccc3)CC2)CC1 ZINC000080079542 1138160494 /nfs/dbraw/zinc/16/04/94/1138160494.db2.gz DSBLWWUCEOGOIA-UHFFFAOYSA-N 0 3 326.484 3.727 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1 ZINC000127698676 1138367526 /nfs/dbraw/zinc/36/75/26/1138367526.db2.gz YCBZVDXDJOUSKW-DSXZDUDKSA-N 0 3 348.512 3.712 20 30 EHEDHN C=CCN1CC[C@H](N(C)CCCSc2ccccc2Cl)C1=O ZINC000337235356 1138503204 /nfs/dbraw/zinc/50/32/04/1138503204.db2.gz XNIFXGMCZNPIMM-HNNXBMFYSA-N 0 3 338.904 3.541 20 30 EHEDHN CCN(C(=O)c1cccc(C#N)c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000337797540 1138670434 /nfs/dbraw/zinc/67/04/34/1138670434.db2.gz GDCZZDJYDJHKOK-FQEVSTJZSA-N 0 3 347.462 3.603 20 30 EHEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000134143193 1138674793 /nfs/dbraw/zinc/67/47/93/1138674793.db2.gz FMJQDGRBMCEHFY-CRAIPNDOSA-N 0 3 343.471 3.683 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2nc3ccsc3s2)CC1 ZINC000265398344 1138855379 /nfs/dbraw/zinc/85/53/79/1138855379.db2.gz PMOUTXWARZCHIV-UHFFFAOYSA-N 0 3 336.486 3.520 20 30 EHEDHN COc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1C#N ZINC000174645321 1139433018 /nfs/dbraw/zinc/43/30/18/1139433018.db2.gz QOSHDSFVCPKDJF-UHFFFAOYSA-N 0 3 340.398 3.501 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000175417159 1139489323 /nfs/dbraw/zinc/48/93/23/1139489323.db2.gz ZSQACRWUMWWANL-FXAWDEMLSA-N 0 3 341.499 3.615 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181210597 1139892302 /nfs/dbraw/zinc/89/23/02/1139892302.db2.gz YPDXZMSJGKQOIZ-XLIONFOSSA-N 0 3 336.435 3.824 20 30 EHEDHN COc1ccc([C@@H](CCO)NCc2ccccc2C(C)(C)C#N)cc1 ZINC000182409235 1139970367 /nfs/dbraw/zinc/97/03/67/1139970367.db2.gz NYXLOKQOXCPLCG-HXUWFJFHSA-N 0 3 338.451 3.710 20 30 EHEDHN C=CCN1CCC(NC(=O)C(C)(C)c2cccc(Cl)c2F)CC1 ZINC000185506672 1140153331 /nfs/dbraw/zinc/15/33/31/1140153331.db2.gz PEIBVVJTFRRSDS-UHFFFAOYSA-N 0 3 338.854 3.523 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccccc1N1CCOCC1 ZINC000186395480 1140202052 /nfs/dbraw/zinc/20/20/52/1140202052.db2.gz HZLUWFFJWLGPTP-QGZVFWFLSA-N 0 3 335.451 3.588 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1OC ZINC000187510619 1140258637 /nfs/dbraw/zinc/25/86/37/1140258637.db2.gz CMYHXQHEMFUZOR-UHFFFAOYSA-N 0 3 341.451 3.777 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](C(=C)C)c2ccc(F)c(F)c2)CC1 ZINC000188041307 1140281456 /nfs/dbraw/zinc/28/14/56/1140281456.db2.gz XHHPJYUOIZSROW-GOSISDBHSA-N 0 3 349.425 3.532 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000188825879 1140309801 /nfs/dbraw/zinc/30/98/01/1140309801.db2.gz MWQRGHPETXPPBN-INIZCTEOSA-N 0 3 333.435 3.970 20 30 EHEDHN O[C@H](CN[C@H](CC(F)(F)F)c1ccc(F)cc1)CC(F)(F)F ZINC000189834822 1140367446 /nfs/dbraw/zinc/36/74/46/1140367446.db2.gz WZNZQJLZNIDCMP-WDEREUQCSA-N 0 3 333.247 3.722 20 30 EHEDHN C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000268639047 1140965544 /nfs/dbraw/zinc/96/55/44/1140965544.db2.gz RXMWSANNRBRLIC-BLLLJJGKSA-N 0 3 332.350 3.544 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(N3CCCCC3)nc2)cc1 ZINC000268783894 1140990239 /nfs/dbraw/zinc/99/02/39/1140990239.db2.gz QUPXDORFLFRZRT-GOSISDBHSA-N 0 3 349.478 3.935 20 30 EHEDHN COc1ccc([C@@H](CO)N(C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000269018980 1141047860 /nfs/dbraw/zinc/04/78/60/1141047860.db2.gz YCPNIMKZYNXILB-HXUWFJFHSA-N 0 3 338.451 3.662 20 30 EHEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H]2c2ccccc2)cc1Cl ZINC000348539513 1141548515 /nfs/dbraw/zinc/54/85/15/1141548515.db2.gz NKTZVEDPUGAUJR-SFHVURJKSA-N 0 3 339.826 3.987 20 30 EHEDHN CC[N@H+](CC(C)(C)CCC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825398933 608551879 /nfs/dbraw/zinc/55/18/79/608551879.db2.gz BMGMSWCQXOIBKJ-CQSZACIVSA-N 0 3 326.448 3.580 20 30 EHEDHN CC[N@@H+](CC(C)(C)CCC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825398933 608551880 /nfs/dbraw/zinc/55/18/80/608551880.db2.gz BMGMSWCQXOIBKJ-CQSZACIVSA-N 0 3 326.448 3.580 20 30 EHEDHN CC[N@H+](CC(C)(C)CCC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825398933 608551881 /nfs/dbraw/zinc/55/18/81/608551881.db2.gz BMGMSWCQXOIBKJ-CQSZACIVSA-N 0 3 326.448 3.580 20 30 EHEDHN CC[N@@H+](CC(C)(C)CCC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825398933 608551882 /nfs/dbraw/zinc/55/18/82/608551882.db2.gz BMGMSWCQXOIBKJ-CQSZACIVSA-N 0 3 326.448 3.580 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186931328 1014614541 /nfs/dbraw/zinc/61/45/41/1014614541.db2.gz VMVOZYNYXOEYRF-MRXNPFEDSA-N 0 3 338.426 3.828 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)OCC2CC2)cc1 ZINC000120274427 1014877929 /nfs/dbraw/zinc/87/79/29/1014877929.db2.gz SQYJPYHIQGUNHS-IYOUNJFTSA-N 0 3 342.439 3.663 20 30 EHEDHN Cc1cc(C)c([C@H](C)N2CCN(c3ncccc3C#N)CC2)c(C)c1 ZINC000608779625 1015865559 /nfs/dbraw/zinc/86/55/59/1015865559.db2.gz RIMQDEGAOGBDJD-SFHVURJKSA-N 0 3 334.467 3.762 20 30 EHEDHN Cc1nsc(NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1C#N ZINC000340956173 1016873926 /nfs/dbraw/zinc/87/39/26/1016873926.db2.gz JWOSDSBSPIHOTG-KRWDZBQOSA-N 0 3 344.484 3.825 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCN(C)c4ccccc43)nc21 ZINC000892706684 1016980943 /nfs/dbraw/zinc/98/09/43/1016980943.db2.gz XDQZNRSSTVVHOF-JKSUJKDBSA-N 0 3 344.418 3.671 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CCN(C)c4ccccc43)[nH]c21 ZINC000892706684 1016980956 /nfs/dbraw/zinc/98/09/56/1016980956.db2.gz XDQZNRSSTVVHOF-JKSUJKDBSA-N 0 3 344.418 3.671 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000538328308 1032299643 /nfs/dbraw/zinc/29/96/43/1032299643.db2.gz PZIQPLPKPNQJAK-GOSISDBHSA-N 0 3 343.515 3.692 20 30 EHEDHN CC1/C(=C\c2cc(Cl)ccc2OCC2CC2)C(=O)c2ncnn21 ZINC000905087670 1032335585 /nfs/dbraw/zinc/33/55/85/1032335585.db2.gz YMELIOQMEPIVSZ-FBWGLTFQSA-N 0 3 329.787 3.561 20 30 EHEDHN C[C@@H](CNCc1ccc(C#N)cc1F)c1nc(-c2ccccc2)no1 ZINC000089794948 1032542050 /nfs/dbraw/zinc/54/20/50/1032542050.db2.gz XOKDLDCZNVDATH-ZDUSSCGKSA-N 0 3 336.370 3.641 20 30 EHEDHN Cc1cccc(C)c1OCCN1CCCN(c2ccccc2C#N)CC1 ZINC000058580399 1032592697 /nfs/dbraw/zinc/59/26/97/1032592697.db2.gz ANEUZDVDMQPOAB-UHFFFAOYSA-N 0 3 349.478 3.766 20 30 EHEDHN CN(CCOc1ccc(Br)cc1)CCC(C)(C)C#N ZINC000537364155 1032661075 /nfs/dbraw/zinc/66/10/75/1032661075.db2.gz OUDZBSZGBYTOKS-UHFFFAOYSA-N 0 3 325.250 3.700 20 30 EHEDHN Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3ccc(C#N)cc3)cn2)n1 ZINC000181525662 1017105400 /nfs/dbraw/zinc/10/54/00/1017105400.db2.gz GIQAFEXNOVLNOO-INIZCTEOSA-N 0 3 331.423 3.607 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001167332445 1018221323 /nfs/dbraw/zinc/22/13/23/1018221323.db2.gz MDTVEFVZDMGFHG-SFHVURJKSA-N 0 3 335.407 3.921 20 30 EHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cncc(Br)c1 ZINC000580096614 1018639297 /nfs/dbraw/zinc/63/92/97/1018639297.db2.gz KPRCSHJJBUFLFB-LBPRGKRZSA-N 0 3 330.229 3.761 20 30 EHEDHN C=CC(C)(C)CNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000656172577 1018946803 /nfs/dbraw/zinc/94/68/03/1018946803.db2.gz WSWOILFYJZTFOR-KRWDZBQOSA-N 0 3 329.488 3.505 20 30 EHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345302864 1020141471 /nfs/dbraw/zinc/14/14/71/1020141471.db2.gz SLPPZTDSZXRCBT-ILXRZTDVSA-N 0 3 346.500 3.543 20 30 EHEDHN CC1CCN([C@H](CNCc2cccc(C#N)n2)c2cccs2)CC1 ZINC000602498104 1032925451 /nfs/dbraw/zinc/92/54/51/1032925451.db2.gz HBZMKCREKIGSRK-GOSISDBHSA-N 0 3 340.496 3.578 20 30 EHEDHN CN(CCCCC1(C#N)CCC1)CC(=O)NCCC1=CCCCC1 ZINC000933360204 1021365892 /nfs/dbraw/zinc/36/58/92/1021365892.db2.gz VXXXDOPWRVXEPP-UHFFFAOYSA-N 0 3 331.504 3.789 20 30 EHEDHN N#Cc1cccc(CN2CCC(Nc3nccc4occc43)CC2)c1 ZINC000593516465 1032978547 /nfs/dbraw/zinc/97/85/47/1032978547.db2.gz ZYQCSPUEPLDJLQ-UHFFFAOYSA-N 0 3 332.407 3.776 20 30 EHEDHN C#C[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(Br)cc1 ZINC000894869773 1021542693 /nfs/dbraw/zinc/54/26/93/1021542693.db2.gz DJYOCHHRRLRFQS-CVEARBPZSA-N 0 3 334.257 3.815 20 30 EHEDHN C[C@H](Cc1cc(Br)ccc1F)NCc1cccc(C#N)n1 ZINC000602581982 1033002243 /nfs/dbraw/zinc/00/22/43/1033002243.db2.gz MLJSMZGOOXGDCL-LLVKDONJSA-N 0 3 348.219 3.576 20 30 EHEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1cc(F)ccc1N1CCC(O)CC1 ZINC000925061127 1021766807 /nfs/dbraw/zinc/76/68/07/1021766807.db2.gz RKKWBSPNWOZWKU-LSDHHAIUSA-N 0 3 347.478 3.766 20 30 EHEDHN N#CC1(NC(=O)CNC2(c3ccccc3)CCCCC2)CCCCC1 ZINC000440915599 1021868089 /nfs/dbraw/zinc/86/80/89/1021868089.db2.gz VVFZJNVHIZSLNP-UHFFFAOYSA-N 0 3 339.483 3.778 20 30 EHEDHN C=CC1CCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000458879040 1022388681 /nfs/dbraw/zinc/38/86/81/1022388681.db2.gz CDMNMBFGCHNCHT-GOSISDBHSA-N 0 3 347.528 3.619 20 30 EHEDHN CC1(C)C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C(C)(C)O1 ZINC000528919509 1033080061 /nfs/dbraw/zinc/08/00/61/1033080061.db2.gz KUAKLPSRAXBDQF-UONOGXRCSA-N 0 3 348.830 3.581 20 30 EHEDHN Cc1cncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000426167051 1023024207 /nfs/dbraw/zinc/02/42/07/1023024207.db2.gz IQEXSRSVVBKFPC-LBPRGKRZSA-N 0 3 326.306 3.625 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccsc1C(F)(F)F ZINC000602725705 1033113207 /nfs/dbraw/zinc/11/32/07/1033113207.db2.gz ISXABOLXQJGCCF-NSHDSACASA-N 0 3 332.391 3.955 20 30 EHEDHN CCN(Cc1ccc2c(c1)oc(=O)n2C)[C@H](C)c1ccc(C#N)cc1 ZINC000507334735 1023243793 /nfs/dbraw/zinc/24/37/93/1023243793.db2.gz RQIBVQBBMHQMIZ-CQSZACIVSA-N 0 3 335.407 3.586 20 30 EHEDHN Cc1ccccc1NC(=O)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000449734156 1033126236 /nfs/dbraw/zinc/12/62/36/1033126236.db2.gz ACTYKGRKHGYTBI-AWEZNQCLSA-N 0 3 325.387 3.513 20 30 EHEDHN N#Cc1ccc(NC(=O)CCN2CCC(CC(F)(F)F)CC2)cc1 ZINC000341969258 1023729946 /nfs/dbraw/zinc/72/99/46/1023729946.db2.gz BPBNPXKXWCTKSU-UHFFFAOYSA-N 0 3 339.361 3.551 20 30 EHEDHN CCN1CCCC[C@@H]1CNC(=O)c1cnn(C2CCCCC2)c1C ZINC000329702422 1024106780 /nfs/dbraw/zinc/10/67/80/1024106780.db2.gz IDBCOTOEBISZNS-QGZVFWFLSA-N 0 3 332.492 3.876 20 30 EHEDHN C=CCC[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccco1 ZINC000514086052 1024117915 /nfs/dbraw/zinc/11/79/15/1024117915.db2.gz YSCJODCRTBHYMH-WOJBJXKFSA-N 0 3 340.467 3.778 20 30 EHEDHN Cc1ccc([C@@H](CNC(=O)C2(C#N)CCCCC2)N2CCCC2)cc1 ZINC000143024427 1024118798 /nfs/dbraw/zinc/11/87/98/1024118798.db2.gz DEGVKALPFYTJGP-LJQANCHMSA-N 0 3 339.483 3.722 20 30 EHEDHN Cc1nc(C)c(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)s1 ZINC000329839110 1024217591 /nfs/dbraw/zinc/21/75/91/1024217591.db2.gz VZMFNVXBNFKMCT-XJKSGUPXSA-N 0 3 344.484 3.921 20 30 EHEDHN CC(C)[C@@H](CN1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000474109398 1024242685 /nfs/dbraw/zinc/24/26/85/1024242685.db2.gz BMNQDMPRWGUNFD-HXUWFJFHSA-N 0 3 334.467 3.515 20 30 EHEDHN N#Cc1cccc(OC2CCN(C[C@H]3CC3(Cl)Cl)CC2)c1 ZINC000729543339 1024578136 /nfs/dbraw/zinc/57/81/36/1024578136.db2.gz PEMSEQRGMMOPKE-CYBMUJFWSA-N 0 3 325.239 3.595 20 30 EHEDHN C=CCCC[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000895636857 1024681586 /nfs/dbraw/zinc/68/15/86/1024681586.db2.gz AVPHZOLQXWGYPO-IBGZPJMESA-N 0 3 331.423 3.788 20 30 EHEDHN C#CCC1(O)CCN(C/C(C)=C/c2ccccc2OC(F)F)CC1 ZINC000895669569 1024714970 /nfs/dbraw/zinc/71/49/70/1024714970.db2.gz FQJLZCBNHXNCGQ-FYWRMAATSA-N 0 3 335.394 3.542 20 30 EHEDHN CC(C)Cc1ccc([C@H](CNCc2ccc(C#N)o2)N(C)C)cc1 ZINC000514812406 1024763826 /nfs/dbraw/zinc/76/38/26/1024763826.db2.gz KPPSECJZDXICDH-FQEVSTJZSA-N 0 3 325.456 3.742 20 30 EHEDHN CC(C)Cc1ccc([C@@H](CNCc2ccc(C#N)o2)N(C)C)cc1 ZINC000514812407 1024764888 /nfs/dbraw/zinc/76/48/88/1024764888.db2.gz KPPSECJZDXICDH-HXUWFJFHSA-N 0 3 325.456 3.742 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000428044059 1024955913 /nfs/dbraw/zinc/95/59/13/1024955913.db2.gz IZRYPUAQPHKGKT-IEBWSBKVSA-N 0 3 330.447 3.605 20 30 EHEDHN Cc1ccc(C(=O)NC2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000602931441 1033260665 /nfs/dbraw/zinc/26/06/65/1033260665.db2.gz ADHYHANQRGOHLA-KRWDZBQOSA-N 0 3 347.462 3.822 20 30 EHEDHN C=CCC[C@@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000435765304 1025127519 /nfs/dbraw/zinc/12/75/19/1025127519.db2.gz SLOOQHKCXDCRFB-RBUKOAKNSA-N 0 3 327.472 3.572 20 30 EHEDHN N#CCCn1cc(CNCc2cccc(F)c2)c(-c2ccccc2)n1 ZINC000113318263 1025145693 /nfs/dbraw/zinc/14/56/93/1025145693.db2.gz GBISNUUXVFALKF-UHFFFAOYSA-N 0 3 334.398 3.893 20 30 EHEDHN C=CCCn1cc(CNC(Cc2ccccc2)Cc2ccccc2)nn1 ZINC000657337545 1025292255 /nfs/dbraw/zinc/29/22/55/1025292255.db2.gz YXOWJKWYJCUPJQ-UHFFFAOYSA-N 0 3 346.478 3.798 20 30 EHEDHN N#Cc1csc(CN2CCC[C@H](c3nc4c(s3)CCC4)C2)c1 ZINC000896517312 1025526973 /nfs/dbraw/zinc/52/69/73/1025526973.db2.gz WUEIAJDVAHKZOX-ZDUSSCGKSA-N 0 3 329.494 3.945 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000451115373 1025551251 /nfs/dbraw/zinc/55/12/51/1025551251.db2.gz OSZZFCIQHBCCNE-QEEYODRMSA-N 0 3 327.472 3.658 20 30 EHEDHN CN(CCCC1(C#N)CCOCC1)Cc1ccc(Br)o1 ZINC000281871378 1025618497 /nfs/dbraw/zinc/61/84/97/1025618497.db2.gz CHAYIUKJFCOBEQ-UHFFFAOYSA-N 0 3 341.249 3.574 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)COc1ccccc1Cl ZINC000425532433 1025659336 /nfs/dbraw/zinc/65/93/36/1025659336.db2.gz BPRLNYLBALVTAN-YOEHRIQHSA-N 0 3 344.842 3.644 20 30 EHEDHN C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](C)C1 ZINC000329337602 1025763601 /nfs/dbraw/zinc/76/36/01/1025763601.db2.gz MMXIEALCBPRJEX-BABFGASTSA-N 0 3 333.476 3.556 20 30 EHEDHN CC(C)(C#N)CCCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000277566068 1026021861 /nfs/dbraw/zinc/02/18/61/1026021861.db2.gz AVGBZZUMUGEOOO-UHFFFAOYSA-N 0 3 333.501 3.616 20 30 EHEDHN COc1ccc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1F ZINC000237251281 1026086322 /nfs/dbraw/zinc/08/63/22/1026086322.db2.gz IANSWWUDMFEANE-KBPBESRZSA-N 0 3 328.387 3.976 20 30 EHEDHN CC(C)[C@@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000451796860 1026301993 /nfs/dbraw/zinc/30/19/93/1026301993.db2.gz ILLOLTSOHXVEQK-CZUORRHYSA-N 0 3 333.863 3.578 20 30 EHEDHN N#CCc1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000452054798 1026467433 /nfs/dbraw/zinc/46/74/33/1026467433.db2.gz AQURSYIURXLMDJ-SFHVURJKSA-N 0 3 326.465 3.808 20 30 EHEDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)N2CCCC2)o1 ZINC000166280795 1027607715 /nfs/dbraw/zinc/60/77/15/1027607715.db2.gz RMDVIIWLAHZUBX-QGZVFWFLSA-N 0 3 340.383 3.617 20 30 EHEDHN C=CCN1CC[C@H](N(C)C[C@H](C)c2ccc(C(F)(F)F)cc2)C1=O ZINC000501874968 1027622524 /nfs/dbraw/zinc/62/25/24/1027622524.db2.gz SOUSHULIBMWEOD-BBRMVZONSA-N 0 3 340.389 3.528 20 30 EHEDHN CCc1ccc([C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)C(C)C)cc1 ZINC000533472088 1027936980 /nfs/dbraw/zinc/93/69/80/1027936980.db2.gz XEGLIJRYWONWOU-JXFKEZNVSA-N 0 3 329.488 3.544 20 30 EHEDHN N#Cc1ccccc1OCCN1CCC(COc2ccccc2)CC1 ZINC000065612394 1028120722 /nfs/dbraw/zinc/12/07/22/1028120722.db2.gz OHSZMBCKGBKYBG-UHFFFAOYSA-N 0 3 336.435 3.728 20 30 EHEDHN CCOC(=O)[C@@H]1CN(CCCCC(C)(C)C#N)Cc2ccccc21 ZINC000444664609 1028137029 /nfs/dbraw/zinc/13/70/29/1028137029.db2.gz MTKFXPFYPIMYFZ-GOSISDBHSA-N 0 3 328.456 3.869 20 30 EHEDHN C=CC[C@@H]1N(Cc2cc(=O)n3c(C)csc3n2)CCCC1(C)C ZINC000444775229 1028262899 /nfs/dbraw/zinc/26/28/99/1028262899.db2.gz MFIDMUFJTRRUFQ-HNNXBMFYSA-N 0 3 331.485 3.631 20 30 EHEDHN C=CCCC[C@@H](C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000091506838 1028263228 /nfs/dbraw/zinc/26/32/28/1028263228.db2.gz NDRNFIPCADWVCF-MRXNPFEDSA-N 0 3 349.906 3.641 20 30 EHEDHN N#CC1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000057879168 1028375370 /nfs/dbraw/zinc/37/53/70/1028375370.db2.gz ZVCXUEGIVGHGGP-UHFFFAOYSA-N 0 3 347.462 3.518 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C)CC1 ZINC000068829138 1028408182 /nfs/dbraw/zinc/40/81/82/1028408182.db2.gz IWJLHDVEWCKYFB-HOTGVXAUSA-N 0 3 331.435 3.583 20 30 EHEDHN COc1cc(CNCc2cc(Br)ccc2C)ccc1C#N ZINC000440611818 1028415560 /nfs/dbraw/zinc/41/55/60/1028415560.db2.gz HVKZDZUPBMNWJI-UHFFFAOYSA-N 0 3 345.240 3.928 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]2C2CCC2)c1 ZINC000343015202 1028645053 /nfs/dbraw/zinc/64/50/53/1028645053.db2.gz NBCLDJRXRIHFEI-FQEVSTJZSA-N 0 3 339.483 3.815 20 30 EHEDHN CCCCc1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1 ZINC000424063786 1028771690 /nfs/dbraw/zinc/77/16/90/1028771690.db2.gz IUCNYEAPANDGHY-RBUKOAKNSA-N 0 3 329.488 3.864 20 30 EHEDHN C=CCOc1cccc(CNC2(C(=O)N(CC)CC)CCCCC2)c1 ZINC000524069143 1028815410 /nfs/dbraw/zinc/81/54/10/1028815410.db2.gz XYAHZGWIUYVSJP-UHFFFAOYSA-N 0 3 344.499 3.912 20 30 EHEDHN N#Cc1ccc(CNCCc2coc(-c3ccc(F)cc3)n2)c(F)c1 ZINC000532986968 1029144244 /nfs/dbraw/zinc/14/42/44/1029144244.db2.gz GBZDBDYPGIENDV-UHFFFAOYSA-N 0 3 339.345 3.824 20 30 EHEDHN CC(C)(C#N)CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000272015141 1029272218 /nfs/dbraw/zinc/27/22/18/1029272218.db2.gz LHNAKAZUTLZEOP-UHFFFAOYSA-N 0 3 349.862 3.636 20 30 EHEDHN CC#CCN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000533073208 1029274341 /nfs/dbraw/zinc/27/43/41/1029274341.db2.gz JCGUVIZSDDRRHU-UHFFFAOYSA-N 0 3 325.239 3.667 20 30 EHEDHN C#CCN(C[C@H](O)c1ccc(F)cc1F)[C@H]1CCc2ccccc21 ZINC000255957109 1029376421 /nfs/dbraw/zinc/37/64/21/1029376421.db2.gz MXLWFLCYBBZVMQ-PMACEKPBSA-N 0 3 327.374 3.621 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000524668862 1029428898 /nfs/dbraw/zinc/42/88/98/1029428898.db2.gz AXWPQDFFTFBGAD-BHIYHBOVSA-N 0 3 335.536 3.787 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2cccc(N3CCCC3=O)c2)cc1 ZINC000155276368 1029461927 /nfs/dbraw/zinc/46/19/27/1029461927.db2.gz BUIMTLGXZSXWNH-KRWDZBQOSA-N 0 3 348.446 3.676 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454925461 1029464414 /nfs/dbraw/zinc/46/44/14/1029464414.db2.gz YTZWBDPYMFZUSQ-MJGOQNOKSA-N 0 3 329.488 3.505 20 30 EHEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533290806 1029582865 /nfs/dbraw/zinc/58/28/65/1029582865.db2.gz MXNINHXJRNALAQ-XNJGSVPQSA-N 0 3 331.847 3.803 20 30 EHEDHN C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1n1ccnc1 ZINC000245605172 1030158553 /nfs/dbraw/zinc/15/85/53/1030158553.db2.gz NBWVSMAZZMABMX-MAUKXSAKSA-N 0 3 347.384 3.837 20 30 EHEDHN Cc1ccc(C[C@@H](CO)N[C@H](C)c2ccc(C#N)cc2F)cc1C ZINC000453447540 1030268431 /nfs/dbraw/zinc/26/84/31/1030268431.db2.gz PKYHWAJCSNACTL-QAPCUYQASA-N 0 3 326.415 3.568 20 30 EHEDHN Cc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000160191807 1030588724 /nfs/dbraw/zinc/58/87/24/1030588724.db2.gz DYCUWIGOVPISAY-HOCLYGCPSA-N 0 3 327.403 3.918 20 30 EHEDHN C=CCCC(C)(C)NCc1ccc(OC)c(O)c1Br ZINC000657805870 1031106642 /nfs/dbraw/zinc/10/66/42/1031106642.db2.gz VCXYFJMDQLXFTO-UHFFFAOYSA-N 0 3 328.250 3.998 20 30 EHEDHN C=CCCC(C)(C)[NH2+]Cc1ccc(OC)c([O-])c1Br ZINC000657805870 1031106644 /nfs/dbraw/zinc/10/66/44/1031106644.db2.gz VCXYFJMDQLXFTO-UHFFFAOYSA-N 0 3 328.250 3.998 20 30 EHEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000343508637 1031192758 /nfs/dbraw/zinc/19/27/58/1031192758.db2.gz IRIITJDKWQYSME-OAHLLOKOSA-N 0 3 326.831 3.602 20 30 EHEDHN N#Cc1ccc(C2(NCc3ccc(F)c(F)c3)CCOCC2)cc1 ZINC000527812549 1031247405 /nfs/dbraw/zinc/24/74/05/1031247405.db2.gz RGHWVVYBYULAGG-UHFFFAOYSA-N 0 3 328.362 3.632 20 30 EHEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC[C@H](C2CC2)C1 ZINC000329607157 1031321668 /nfs/dbraw/zinc/32/16/68/1031321668.db2.gz BISUVLQVOXVYSU-HOCLYGCPSA-N 0 3 344.455 3.946 20 30 EHEDHN C=CCn1c(SCCN2CCCCC2)nnc1-c1ccoc1C ZINC000247999349 1031340953 /nfs/dbraw/zinc/34/09/53/1031340953.db2.gz DYFRFIMOUMGTRY-UHFFFAOYSA-N 0 3 332.473 3.611 20 30 EHEDHN C=C(C)COCCN[C@@H]1CCCOc2cc(Br)ccc21 ZINC000163514272 1031501845 /nfs/dbraw/zinc/50/18/45/1031501845.db2.gz YJRRFORCNZKBCB-OAHLLOKOSA-N 0 3 340.261 3.845 20 30 EHEDHN CC(C)(NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000508636106 1031651960 /nfs/dbraw/zinc/65/19/60/1031651960.db2.gz DKCXUZUMBLJPLV-UHFFFAOYSA-N 0 3 327.815 3.675 20 30 EHEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cccc(CC#N)c1)c1ccco1 ZINC000455904247 1031751654 /nfs/dbraw/zinc/75/16/54/1031751654.db2.gz KEWAKBKOLKWALG-RHSMWYFYSA-N 0 3 340.427 3.597 20 30 EHEDHN C=CCN(CC(=O)N[C@H](C)c1ccccc1OC)CC1CCCCC1 ZINC000484632121 1031829902 /nfs/dbraw/zinc/82/99/02/1031829902.db2.gz XKVJWHLTQXMSIG-QGZVFWFLSA-N 0 3 344.499 3.941 20 30 EHEDHN C=CCN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC1CCCCC1 ZINC000484693954 1031887424 /nfs/dbraw/zinc/88/74/24/1031887424.db2.gz JGYKDSXYMCJFJL-INIZCTEOSA-N 0 3 346.437 3.856 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000181352517 1031977227 /nfs/dbraw/zinc/97/72/27/1031977227.db2.gz OPHGHUSJJVWIIQ-QFBILLFUSA-N 0 3 327.472 3.516 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000598595589 1033320347 /nfs/dbraw/zinc/32/03/47/1033320347.db2.gz KGYLHJUYNLCBKU-MOPGFXCFSA-N 0 3 326.415 3.805 20 30 EHEDHN CC(C)(C)OC(=O)Nc1nc(CNC2CCC(C#N)CC2)cs1 ZINC000898103537 1033348936 /nfs/dbraw/zinc/34/89/36/1033348936.db2.gz CPQUVASMNRQZPF-UHFFFAOYSA-N 0 3 336.461 3.662 20 30 EHEDHN CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594429700 1033366829 /nfs/dbraw/zinc/36/68/29/1033366829.db2.gz VTCGKYANTWLVOU-FQEVSTJZSA-N 0 3 335.451 3.723 20 30 EHEDHN CCN(C(=O)[C@@H](N)CCCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000594431277 1033368730 /nfs/dbraw/zinc/36/87/30/1033368730.db2.gz KTUOFMRBRXDTEQ-HOCLYGCPSA-N 0 3 327.428 3.754 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000594432087 1033369934 /nfs/dbraw/zinc/36/99/34/1033369934.db2.gz XJGZPRHVWFZTOP-UXHICEINSA-N 0 3 335.451 3.915 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000594435173 1033372598 /nfs/dbraw/zinc/37/25/98/1033372598.db2.gz BAJWEYRWZJFBCT-QGZVFWFLSA-N 0 3 327.453 3.693 20 30 EHEDHN Cc1cc(CNC(=O)[C@H](N)CCCCC#N)ccc1-c1ccccc1 ZINC000594437420 1033375677 /nfs/dbraw/zinc/37/56/77/1033375677.db2.gz NLLUYMMBQBDBQU-HXUWFJFHSA-N 0 3 335.451 3.690 20 30 EHEDHN Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H](N)CCCCC#N)c1 ZINC000594447890 1033377357 /nfs/dbraw/zinc/37/73/57/1033377357.db2.gz WYPRJNHSFAPAOL-OALUTQOASA-N 0 3 327.472 3.850 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000594446799 1033379157 /nfs/dbraw/zinc/37/91/57/1033379157.db2.gz SSGLQOXZBWODHN-UXHICEINSA-N 0 3 341.499 3.659 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000594445645 1033379447 /nfs/dbraw/zinc/37/94/47/1033379447.db2.gz JLSXKAXUGDCZIR-ZDUSSCGKSA-N 0 3 327.350 3.531 20 30 EHEDHN CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594452706 1033381613 /nfs/dbraw/zinc/38/16/13/1033381613.db2.gz HUBYAKKBRQEGFR-OALUTQOASA-N 0 3 327.472 3.885 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000594426418 1033389348 /nfs/dbraw/zinc/38/93/48/1033389348.db2.gz CPWXZRGZNSLLOP-SFTDATJTSA-N 0 3 347.462 3.572 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000594425116 1033389726 /nfs/dbraw/zinc/38/97/26/1033389726.db2.gz KBJJZCRBRGWUFY-IBGZPJMESA-N 0 3 337.423 3.615 20 30 EHEDHN Cc1ccc(Cl)c2ccc(NC(=O)[C@H](N)CCCCC#N)nc12 ZINC000594469479 1033408579 /nfs/dbraw/zinc/40/85/79/1033408579.db2.gz XWZKBWVCWCKACE-CQSZACIVSA-N 0 3 330.819 3.546 20 30 EHEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(-n2cncn2)cc1 ZINC000594512044 1033416119 /nfs/dbraw/zinc/41/61/19/1033416119.db2.gz BCDOTUTVVMSHKA-INIZCTEOSA-N 0 3 343.434 3.869 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNC(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000598734186 1033425230 /nfs/dbraw/zinc/42/52/30/1033425230.db2.gz GTPFWOLACJQVOU-CVEARBPZSA-N 0 3 331.460 3.689 20 30 EHEDHN COc1ccccc1CN(CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000063523846 1033434306 /nfs/dbraw/zinc/43/43/06/1033434306.db2.gz ZNXCTHRRGHZGJY-UHFFFAOYSA-N 0 3 349.434 3.560 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)Cc2ccccc2C)CC1 ZINC000106338721 1033570618 /nfs/dbraw/zinc/57/06/18/1033570618.db2.gz PNWLAYMJGCLIGG-UHFFFAOYSA-N 0 3 343.515 3.656 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CC)[C@H](C)c2ccc(F)cc2)CC1 ZINC000106340943 1033571055 /nfs/dbraw/zinc/57/10/55/1033571055.db2.gz SZWNFWRTAXFJOM-MRXNPFEDSA-N 0 3 347.478 3.959 20 30 EHEDHN N#CC(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1nc2ccccc2[nH]1 ZINC000173904790 1033615221 /nfs/dbraw/zinc/61/52/21/1033615221.db2.gz ZTLFBFQELFXPSD-MRVWCRGKSA-N 0 3 337.329 3.821 20 30 EHEDHN COCc1csc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000594987170 1033618346 /nfs/dbraw/zinc/61/83/46/1033618346.db2.gz XDCVFFBFAQMKCO-UHFFFAOYSA-N 0 3 330.453 3.867 20 30 EHEDHN N#Cc1ccc(N2CCC(NCc3nsc4ccccc34)CC2)cc1 ZINC000603429711 1033624198 /nfs/dbraw/zinc/62/41/98/1033624198.db2.gz POIGBTLLGSIQHX-UHFFFAOYSA-N 0 3 348.475 3.927 20 30 EHEDHN CCN1CCN(c2ccc(N[C@H](C#N)Cc3ccccc3)c(C)c2)CC1 ZINC000603493438 1033705849 /nfs/dbraw/zinc/70/58/49/1033705849.db2.gz NGIADHIUIUICDS-FQEVSTJZSA-N 0 3 348.494 3.684 20 30 EHEDHN C=CCC1(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000450122948 1033779947 /nfs/dbraw/zinc/77/99/47/1033779947.db2.gz TWEPAPTVGLUPSF-HDICACEKSA-N 0 3 336.520 3.519 20 30 EHEDHN N#Cc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)ccc1Cl ZINC000593016438 1033814212 /nfs/dbraw/zinc/81/42/12/1033814212.db2.gz PRXBMAOETKONPP-NWDGAFQWSA-N 0 3 346.736 3.898 20 30 EHEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cc(F)c(Cl)cc1Cl ZINC000599345080 1033879676 /nfs/dbraw/zinc/87/96/76/1033879676.db2.gz LPJDIDRPBNVZMQ-ZJUUUORDSA-N 0 3 331.218 3.838 20 30 EHEDHN COc1ccccc1[C@H](CNc1nc(C#N)ccc1C)N1CCCC1 ZINC000596053785 1034055131 /nfs/dbraw/zinc/05/51/31/1034055131.db2.gz HXJGESCMPKWNPG-SFHVURJKSA-N 0 3 336.439 3.519 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)c1cccc(F)c1C#N)c1ccsc1 ZINC000188233613 1034056260 /nfs/dbraw/zinc/05/62/60/1034056260.db2.gz VCKQIOIFXBBYKI-QGZVFWFLSA-N 0 3 345.443 3.572 20 30 EHEDHN C=CCOc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000599631466 1034056598 /nfs/dbraw/zinc/05/65/98/1034056598.db2.gz QSTASHZKEKUSGZ-KRWDZBQOSA-N 0 3 338.451 3.502 20 30 EHEDHN C[C@H]1CCN(c2nc(C#N)c(Cl)s2)CCN1Cc1ccccc1 ZINC000596144553 1034089980 /nfs/dbraw/zinc/08/99/80/1034089980.db2.gz INGYJEJGJDEKKS-ZDUSSCGKSA-N 0 3 346.887 3.769 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)C2(C#N)CCCCC2)N2CCCC2)cc1 ZINC000061502439 1034313991 /nfs/dbraw/zinc/31/39/91/1034313991.db2.gz DEGVKALPFYTJGP-IBGZPJMESA-N 0 3 339.483 3.722 20 30 EHEDHN N#CC1(CC(=O)N2CCCN(Cc3ccccc3)CC2)CCCCC1 ZINC000596693027 1034357169 /nfs/dbraw/zinc/35/71/69/1034357169.db2.gz DVHIQOFJDBBHDQ-UHFFFAOYSA-N 0 3 339.483 3.585 20 30 EHEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CC1(C#N)CCCCC1 ZINC000596974936 1034475099 /nfs/dbraw/zinc/47/50/99/1034475099.db2.gz YWNTWYBYBDBOKP-UHFFFAOYSA-N 0 3 345.462 3.580 20 30 EHEDHN C=CC[C@@H](C)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000604880329 1034543435 /nfs/dbraw/zinc/54/34/35/1034543435.db2.gz XKDUHJZENPYSPN-RHSMWYFYSA-N 0 3 340.389 3.522 20 30 EHEDHN CN(CCOc1ccccc1C#N)Cc1ccc(OC(F)F)cc1 ZINC000060463791 1034556432 /nfs/dbraw/zinc/55/64/32/1034556432.db2.gz XUFDWGMDNNWXSN-UHFFFAOYSA-N 0 3 332.350 3.670 20 30 EHEDHN N#CCCn1cc(CN2CCC[C@@H](CC#N)C2)c(-c2ccccc2)n1 ZINC000597174710 1034582586 /nfs/dbraw/zinc/58/25/86/1034582586.db2.gz UIAXBQYDTBCQOD-KRWDZBQOSA-N 0 3 333.439 3.589 20 30 EHEDHN N#CC(C(=O)C[C@H]1CCCc2ccccc21)C(=O)NC1CCCCC1 ZINC000171776834 1034616153 /nfs/dbraw/zinc/61/61/53/1034616153.db2.gz FXOZYFXHDVCURL-VQIMIIECSA-N 0 3 338.451 3.654 20 30 EHEDHN C=CCCCN(C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000605963526 1034861060 /nfs/dbraw/zinc/86/10/60/1034861060.db2.gz FOPRWCWUMKDSGC-LJQANCHMSA-N 0 3 329.488 3.740 20 30 EHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892493688 1034894392 /nfs/dbraw/zinc/89/43/92/1034894392.db2.gz PSQCZDNWWMDNMU-HXFGOILCSA-N 0 3 348.855 3.662 20 30 EHEDHN CC1(C)CO[C@H](CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000892493911 1034897857 /nfs/dbraw/zinc/89/78/57/1034897857.db2.gz VIULFQVKGFJJIU-CABCVRRESA-N 0 3 348.830 3.583 20 30 EHEDHN CC(C)CNC(=O)c1cccc(CN2CCC(CCC#N)CC2)c1 ZINC000570329503 1035200473 /nfs/dbraw/zinc/20/04/73/1035200473.db2.gz QNSYTYYEKLGFEY-UHFFFAOYSA-N 0 3 327.472 3.588 20 30 EHEDHN C#CCN(C(=O)N[C@@H](C)c1cccc2ccccc21)C1CCN(C)CC1 ZINC000913892143 1035667426 /nfs/dbraw/zinc/66/74/26/1035667426.db2.gz JFNGESXLZKELRV-KRWDZBQOSA-N 0 3 349.478 3.640 20 30 EHEDHN N#CCCCCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000588154869 1035729713 /nfs/dbraw/zinc/72/97/13/1035729713.db2.gz ZSECWLPSXCIZQI-LJQANCHMSA-N 0 3 327.472 3.631 20 30 EHEDHN Cn1ccnc1C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000589340518 1036351757 /nfs/dbraw/zinc/35/17/57/1036351757.db2.gz IHVXAPFBTFPUBQ-NHCUHLMSSA-N 0 3 342.446 3.853 20 30 EHEDHN COC[C@@H]1CCCCN(Cc2ccc(C#N)cc2Br)C1 ZINC000376383985 1036425463 /nfs/dbraw/zinc/42/54/63/1036425463.db2.gz HMSAVJCPSCBLHI-CQSZACIVSA-N 0 3 337.261 3.569 20 30 EHEDHN COC[C@@H]1CCCCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000589511884 1036486056 /nfs/dbraw/zinc/48/60/56/1036486056.db2.gz DOHGSQWNKYUWQO-CQSZACIVSA-N 0 3 326.362 3.826 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](CSc2ccccc2)C1 ZINC000464758895 1036742140 /nfs/dbraw/zinc/74/21/40/1036742140.db2.gz RSCLBOJVEXSYNG-ROUUACIJSA-N 0 3 344.524 3.690 20 30 EHEDHN C[C@@H](N[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000414347861 1036858099 /nfs/dbraw/zinc/85/80/99/1036858099.db2.gz NVTZEQQCDMYLDO-CZUORRHYSA-N 0 3 327.378 3.766 20 30 EHEDHN C=CCOc1cccc(NC(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000176414566 1036915542 /nfs/dbraw/zinc/91/55/42/1036915542.db2.gz OVZVMWCMUVMMKS-UHFFFAOYSA-N 0 3 331.460 3.590 20 30 EHEDHN C#C[C@@H](NC1CCC(c2nc(CC)no2)CC1)c1ccc(F)cc1 ZINC000491278172 1037074231 /nfs/dbraw/zinc/07/42/31/1037074231.db2.gz ROKZEVIUBVQONC-BDVYOWHSSA-N 0 3 327.403 3.761 20 30 EHEDHN CC[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000271755180 1037128162 /nfs/dbraw/zinc/12/81/62/1037128162.db2.gz LMDGTFFCWNXRRK-GOSISDBHSA-N 0 3 341.842 3.569 20 30 EHEDHN CCC1CCC(N(CC(=O)Nc2sccc2C#N)C2CC2)CC1 ZINC000053169666 1037440413 /nfs/dbraw/zinc/44/04/13/1037440413.db2.gz VKAOIIZRUNQOPI-UHFFFAOYSA-N 0 3 331.485 3.991 20 30 EHEDHN COc1ccc(CN(Cc2cc(C#N)cs2)[C@H](CO)C(C)C)cc1 ZINC000181154063 1037443893 /nfs/dbraw/zinc/44/38/93/1037443893.db2.gz WHIZIZMVBVWCOG-LJQANCHMSA-N 0 3 344.480 3.647 20 30 EHEDHN C#C[C@H](NC1CCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000491619885 1037591582 /nfs/dbraw/zinc/59/15/82/1037591582.db2.gz MVKCVUFSWUDNGG-HNNXBMFYSA-N 0 3 330.781 3.631 20 30 EHEDHN C=C1CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000532558673 1037636907 /nfs/dbraw/zinc/63/69/07/1037636907.db2.gz GCRUJUNFXACETN-HXUWFJFHSA-N 0 3 340.492 3.996 20 30 EHEDHN CC(C)[C@H](C)N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000030148783 1037639088 /nfs/dbraw/zinc/63/90/88/1037639088.db2.gz GLOITFBOSZGMMR-ZDUSSCGKSA-N 0 3 333.501 3.803 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000494162966 1037892017 /nfs/dbraw/zinc/89/20/17/1037892017.db2.gz HRKBUFCJYFEREC-PXNSSMCTSA-N 0 3 341.499 3.820 20 30 EHEDHN C=CCN1CCC(Nc2ncnc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000592371509 1037921041 /nfs/dbraw/zinc/92/10/41/1037921041.db2.gz SAZGMFGTCZHSJR-CYBMUJFWSA-N 0 3 342.512 3.878 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c3ncccc23)CC1 ZINC000592524136 1038016300 /nfs/dbraw/zinc/01/63/00/1038016300.db2.gz FIMHCKLDWMNWPU-UHFFFAOYSA-N 0 3 344.846 3.660 20 30 EHEDHN CC(C)N(C(=O)c1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592695028 1038100824 /nfs/dbraw/zinc/10/08/24/1038100824.db2.gz SDRZJDNCASWDPU-OAQYLSRUSA-N 0 3 347.462 3.683 20 30 EHEDHN C[C@@H]1C[C@@H](NC(=O)Nc2cccc(CC#N)c2)CN1Cc1ccccc1 ZINC000455919675 1038712933 /nfs/dbraw/zinc/71/29/33/1038712933.db2.gz MLGMTQBPQYEIJT-OXQOHEQNSA-N 0 3 348.450 3.537 20 30 EHEDHN C=C(CC)CN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000539220956 1038737301 /nfs/dbraw/zinc/73/73/01/1038737301.db2.gz PMCYULYPVFDFJL-MRXNPFEDSA-N 0 3 340.389 3.925 20 30 EHEDHN CC(C)(CNC(=O)Nc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000024744154 1038952434 /nfs/dbraw/zinc/95/24/34/1038952434.db2.gz OPYAECYARYITLO-UHFFFAOYSA-N 0 3 348.450 3.517 20 30 EHEDHN CCN(CC)C(=O)C1(NCc2ccc(C#N)c(C)c2)CCCCC1 ZINC000488203197 1038959458 /nfs/dbraw/zinc/95/94/58/1038959458.db2.gz PEFOPZABGNCORA-UHFFFAOYSA-N 0 3 327.472 3.528 20 30 EHEDHN C=C(CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000488470015 1039213090 /nfs/dbraw/zinc/21/30/90/1039213090.db2.gz OOCKCHQENMJYHT-HXUWFJFHSA-N 0 3 337.467 3.610 20 30 EHEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000912192734 1039747354 /nfs/dbraw/zinc/74/73/54/1039747354.db2.gz CZIZTAZXNDRPPO-NSHDSACASA-N 0 3 332.391 3.963 20 30 EHEDHN C=CCC1(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CCC1 ZINC000478885894 1039787114 /nfs/dbraw/zinc/78/71/14/1039787114.db2.gz PMAXKJGOXZUYFR-UHFFFAOYSA-N 0 3 326.484 3.686 20 30 EHEDHN C=CCCC[C@H](C(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000907281387 1039996372 /nfs/dbraw/zinc/99/63/72/1039996372.db2.gz HYGZFBLPLFRYQT-PXNSSMCTSA-N 0 3 326.484 3.893 20 30 EHEDHN COc1ccc([C@H](CCO)NCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614179159 1040373855 /nfs/dbraw/zinc/37/38/55/1040373855.db2.gz GGZAGSUFPAJEFD-FQEVSTJZSA-N 0 3 338.451 3.710 20 30 EHEDHN C=CCC1(CN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)CCCC1 ZINC000651461940 1040396929 /nfs/dbraw/zinc/39/69/29/1040396929.db2.gz RLSBGZRWWCDVNM-INIZCTEOSA-N 0 3 337.460 3.770 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000433020038 1040467002 /nfs/dbraw/zinc/46/70/02/1040467002.db2.gz AWPCTUGVVFDNLZ-LJQANCHMSA-N 0 3 333.435 3.600 20 30 EHEDHN COc1ccccc1O[C@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000512669069 1040470663 /nfs/dbraw/zinc/47/06/63/1040470663.db2.gz YOHXDFYGPLNFKU-ZIAGYGMSSA-N 0 3 328.387 3.824 20 30 EHEDHN C=C(CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000512677670 1040495171 /nfs/dbraw/zinc/49/51/71/1040495171.db2.gz LZLIRINPRZZUTF-OAQYLSRUSA-N 0 3 349.478 3.616 20 30 EHEDHN C[C@@H](NC(=O)CN[C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433033004 1040513991 /nfs/dbraw/zinc/51/39/91/1040513991.db2.gz CNENUJGHLGWPIE-YLJYHZDGSA-N 0 3 335.451 3.889 20 30 EHEDHN N#CC1(CNC2CCN(Cc3c(F)cccc3Cl)CC2)CCC1 ZINC000418145658 1040657670 /nfs/dbraw/zinc/65/76/70/1040657670.db2.gz YONNKLJLRBDWKA-UHFFFAOYSA-N 0 3 335.854 3.727 20 30 EHEDHN C#CCNC(=O)C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000491069462 1040904243 /nfs/dbraw/zinc/90/42/43/1040904243.db2.gz WJXKAWCHUDJISS-UHFFFAOYSA-N 0 3 346.883 3.516 20 30 EHEDHN C=CCCCN(C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000512802667 1040965419 /nfs/dbraw/zinc/96/54/19/1040965419.db2.gz NTYNZYWKALVPNR-LJQANCHMSA-N 0 3 347.503 3.684 20 30 EHEDHN CC(C)[C@H](C#N)N1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000613743032 1041116196 /nfs/dbraw/zinc/11/61/96/1041116196.db2.gz PTWRQLRFRRFQGC-GPANFISMSA-N 0 3 331.426 3.521 20 30 EHEDHN C/C(=C\c1ccccc1)CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000500395364 1041329511 /nfs/dbraw/zinc/32/95/11/1041329511.db2.gz HAUSKDMIOAVSAZ-PVGBUVFQSA-N 0 3 345.446 3.747 20 30 EHEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000432092596 1041582709 /nfs/dbraw/zinc/58/27/09/1041582709.db2.gz PTOFFKSSAQZIKL-SJLPKXTDSA-N 0 3 329.488 3.723 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000660596611 1041713612 /nfs/dbraw/zinc/71/36/12/1041713612.db2.gz HFMKLMKCVMDBJV-FUHWJXTLSA-N 0 3 347.890 3.536 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2F)C(C)C)CC1 ZINC000660597304 1041713635 /nfs/dbraw/zinc/71/36/35/1041713635.db2.gz ONHIYEIYNADFMJ-IBGZPJMESA-N 0 3 347.478 3.863 20 30 EHEDHN N#Cc1ccc(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000511876075 1041816543 /nfs/dbraw/zinc/81/65/43/1041816543.db2.gz RBQHAOUSNSRSDG-HBMCJLEFSA-N 0 3 345.446 3.765 20 30 EHEDHN C[C@H](CO)[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000661438787 1042126089 /nfs/dbraw/zinc/12/60/89/1042126089.db2.gz WKJJCJIKZJEMFI-RHSMWYFYSA-N 0 3 325.374 3.540 20 30 EHEDHN C=CCN(CC(=O)N[C@@H](c1nccs1)c1ccccc1)C(C)(C)C ZINC000661760735 1042312833 /nfs/dbraw/zinc/31/28/33/1042312833.db2.gz YGXAEWIJHLSDDQ-QGZVFWFLSA-N 0 3 343.496 3.635 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000432277072 1042460938 /nfs/dbraw/zinc/46/09/38/1042460938.db2.gz MHZLDHDTVDLMCN-IBGZPJMESA-N 0 3 348.450 3.653 20 30 EHEDHN FCCOCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000663341917 1042723707 /nfs/dbraw/zinc/72/37/07/1042723707.db2.gz UWISUOIXZOMQMC-UHFFFAOYSA-N 0 3 333.247 3.800 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2cccc(Cl)c2)CC1 ZINC000159249024 1042769233 /nfs/dbraw/zinc/76/92/33/1042769233.db2.gz WQIKGXNQSAWYHX-UHFFFAOYSA-N 0 3 349.906 3.915 20 30 EHEDHN CCOc1cccc(/C=N/C[C@@H](c2ccc(C)cc2)N(C)C)c1O ZINC000067005667 1043762166 /nfs/dbraw/zinc/76/21/66/1043762166.db2.gz HRQOSITWGQSUIM-LANLRWRYSA-N 0 3 326.440 3.821 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000344861835 1044539698 /nfs/dbraw/zinc/53/96/98/1044539698.db2.gz ZRUBKKOWOZXASS-MRXNPFEDSA-N 0 3 325.412 3.501 20 30 EHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000123004359 1044624126 /nfs/dbraw/zinc/62/41/26/1044624126.db2.gz UCKPMAAEUXPZGA-CQSZACIVSA-N 0 3 325.412 3.593 20 30 EHEDHN C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000620723582 1125674672 /nfs/dbraw/zinc/67/46/72/1125674672.db2.gz NZEIKLGEADQYIV-FQEVSTJZSA-N 0 3 338.451 3.593 20 30 EHEDHN OCC[C@@H]1CCCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000671247727 1126818251 /nfs/dbraw/zinc/81/82/51/1126818251.db2.gz CBAGUXYTKCAGRU-KRWDZBQOSA-N 0 3 325.374 3.684 20 30 EHEDHN CC(C)(C)[C@H](NCC(=O)NC1(C#N)CCCCC1)c1cccc(F)c1 ZINC000181072200 1127265667 /nfs/dbraw/zinc/26/56/67/1127265667.db2.gz OHBUFLQFEVLIRO-GOSISDBHSA-N 0 3 345.462 3.845 20 30 EHEDHN N#CCCN(C(=O)CN[C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000194551448 1127462386 /nfs/dbraw/zinc/46/23/86/1127462386.db2.gz FWPZDTGFQRUMJP-NRFANRHFSA-N 0 3 333.435 3.674 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000172384059 1127931132 /nfs/dbraw/zinc/93/11/32/1127931132.db2.gz OKDFVVLTSJRSOW-QZTJIDSGSA-N 0 3 341.499 3.533 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC001670905534 1128019508 /nfs/dbraw/zinc/01/95/08/1128019508.db2.gz HHRIJXZSTDPTGB-JXFKEZNVSA-N 0 3 348.450 3.651 20 30 EHEDHN CCN(CC)C(=O)C1(NCc2ccc(C#N)cc2C)CCCCC1 ZINC000186294589 1128380089 /nfs/dbraw/zinc/38/00/89/1128380089.db2.gz OQWJLURMXIHQTB-UHFFFAOYSA-N 0 3 327.472 3.528 20 30 EHEDHN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(C#N)cc3C)ccc2NC1=O ZINC000186322794 1128388030 /nfs/dbraw/zinc/38/80/30/1128388030.db2.gz IUBXWOMZIKPHFV-AUUYWEPGSA-N 0 3 349.434 3.827 20 30 EHEDHN COc1ccc(Cl)cc1N1CC[C@H](NCc2csc(C#N)c2)C1 ZINC000921655104 1128436709 /nfs/dbraw/zinc/43/67/09/1128436709.db2.gz HXLKYQSBDYBALS-AWEZNQCLSA-N 0 3 347.871 3.650 20 30 EHEDHN CN(C)[C@@H](CNc1cc(C#N)nc2ccccc21)c1cccc(F)c1 ZINC000301325827 1128585156 /nfs/dbraw/zinc/58/51/56/1128585156.db2.gz AQQGCTSFVCMEAD-FQEVSTJZSA-N 0 3 334.398 3.960 20 30 EHEDHN CN(CCNc1c(C#N)cnc2ccccc21)Cc1ccc(F)cc1 ZINC000301535699 1128595716 /nfs/dbraw/zinc/59/57/16/1128595716.db2.gz MMKIQXLZQGFXGR-UHFFFAOYSA-N 0 3 334.398 3.789 20 30 EHEDHN CN(C)[C@@H](CNc1nc2c(cc1C#N)CCCC2)c1ccc(F)cc1 ZINC000301880331 1128610376 /nfs/dbraw/zinc/61/03/76/1128610376.db2.gz JVUCOUZYQFJIOQ-IBGZPJMESA-N 0 3 338.430 3.686 20 30 EHEDHN CCN(CC)[C@H](CNc1nc2ccccn2c1C#N)c1ccsc1 ZINC000302111699 1128620004 /nfs/dbraw/zinc/62/00/04/1128620004.db2.gz UQXIJRGZNXTVMJ-MRXNPFEDSA-N 0 3 339.468 3.762 20 30 EHEDHN CN(C)[C@H](CNc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 ZINC000302217705 1128627063 /nfs/dbraw/zinc/62/70/63/1128627063.db2.gz KBIZKUYJDVKOGG-OAHLLOKOSA-N 0 3 334.345 3.687 20 30 EHEDHN C=CCN(CC=C)C(=O)CN1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000302812644 1128649388 /nfs/dbraw/zinc/64/93/88/1128649388.db2.gz YHZWJEVTYROILW-HXUWFJFHSA-N 0 3 342.483 3.813 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(CSC)c2)CC1 ZINC000109388192 1128730200 /nfs/dbraw/zinc/73/02/00/1128730200.db2.gz PRICQEAGNWZDBC-UHFFFAOYSA-N 0 3 333.501 3.712 20 30 EHEDHN N#Cc1cccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000075984758 1128895911 /nfs/dbraw/zinc/89/59/11/1128895911.db2.gz ALVYDPYPLWAGFF-IBGZPJMESA-N 0 3 334.423 3.517 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000613351923 1120433358 /nfs/dbraw/zinc/43/33/58/1120433358.db2.gz ZVGMNWSFHZRGDO-FQEVSTJZSA-N 0 3 349.478 3.702 20 30 EHEDHN N#CC(C(=O)CCc1nc2ccccc2o1)c1nc2ccccc2[nH]1 ZINC000915098233 1121187117 /nfs/dbraw/zinc/18/71/17/1121187117.db2.gz NFSCAXPQUBVRFD-GFCCVEGCSA-N 0 3 330.347 3.513 20 30 EHEDHN CC[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000915218592 1121258711 /nfs/dbraw/zinc/25/87/11/1121258711.db2.gz YSUFUXKXQLGGDO-MSOLQXFVSA-N 0 3 327.472 3.752 20 30 EHEDHN C=CCOc1ccc(CNCc2cccc(NC(=O)OC)c2)cc1 ZINC000495618080 1121311478 /nfs/dbraw/zinc/31/14/78/1121311478.db2.gz SEVMMJFEUQYTSP-UHFFFAOYSA-N 0 3 326.396 3.720 20 30 EHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cscc1C#N ZINC001128250025 1128990902 /nfs/dbraw/zinc/99/09/02/1128990902.db2.gz JSGIFFAIPLIBKL-GOSISDBHSA-N 0 3 341.480 3.506 20 30 EHEDHN C[C@]1(CNC(=O)C2(C#N)CCCCC2)CCCN1Cc1ccccc1 ZINC000398040847 1121964640 /nfs/dbraw/zinc/96/46/40/1121964640.db2.gz XQDUSMUSSTVVSW-HXUWFJFHSA-N 0 3 339.483 3.631 20 30 EHEDHN C[C@@]1(CNC(=O)C2(C#N)CCCCC2)CCCN1Cc1ccccc1 ZINC000398040846 1121965118 /nfs/dbraw/zinc/96/51/18/1121965118.db2.gz XQDUSMUSSTVVSW-FQEVSTJZSA-N 0 3 339.483 3.631 20 30 EHEDHN Cc1ccccc1CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916642186 1122236952 /nfs/dbraw/zinc/23/69/52/1122236952.db2.gz RMTDMHDNFICHDC-INIZCTEOSA-N 0 3 349.459 3.913 20 30 EHEDHN Cc1cc(C(C#N)C(=O)C=Cc2nc3ccccc3s2)nc(C)n1 ZINC000916880096 1122378303 /nfs/dbraw/zinc/37/83/03/1122378303.db2.gz JYQKIHYDSPWCCC-MEJMFZKBSA-N 0 3 334.404 3.593 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCc2cccs2)cc1 ZINC000916908981 1122392802 /nfs/dbraw/zinc/39/28/02/1122392802.db2.gz GXUUHJOHFNFVID-KRWDZBQOSA-N 0 3 340.448 3.981 20 30 EHEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000916948684 1122410248 /nfs/dbraw/zinc/41/02/48/1122410248.db2.gz JIZLJMIOGKQZBY-WMLDXEAASA-N 0 3 330.428 3.664 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2cccc(F)c2)C2CCC2)CC1 ZINC000917136783 1122531008 /nfs/dbraw/zinc/53/10/08/1122531008.db2.gz IFJIXNODAVMMNS-UHFFFAOYSA-N 0 3 345.462 3.540 20 30 EHEDHN C=C[C@H](CC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000497414476 1122545150 /nfs/dbraw/zinc/54/51/50/1122545150.db2.gz DMUMIWWPVOUVEB-QMMLZNLJSA-N 0 3 334.463 3.560 20 30 EHEDHN C=CCN1CC[C@@H](N[C@H](c2ccc(Cl)cc2)C2CCCC2)C1=O ZINC000499598855 1129064166 /nfs/dbraw/zinc/06/41/66/1129064166.db2.gz BIEICPYVRYXRIJ-MSOLQXFVSA-N 0 3 332.875 3.948 20 30 EHEDHN C#Cc1cccc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000919772850 1123147472 /nfs/dbraw/zinc/14/74/72/1123147472.db2.gz OBVMFLLOCQIZSO-OXQOHEQNSA-N 0 3 333.435 3.625 20 30 EHEDHN Cc1occc1CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000919803371 1123153405 /nfs/dbraw/zinc/15/34/05/1123153405.db2.gz MALAEYBRGDIUFD-CQSZACIVSA-N 0 3 339.420 3.506 20 30 EHEDHN N#CCOc1ccccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000920106309 1123292761 /nfs/dbraw/zinc/29/27/61/1123292761.db2.gz MXPQQFOKZLNRRO-INIZCTEOSA-N 0 3 327.343 3.627 20 30 EHEDHN CCN1CCN(c2ccc(N=Cc3cc(Cl)ccc3O)cc2)CC1 ZINC000920943317 1123441200 /nfs/dbraw/zinc/44/12/00/1123441200.db2.gz WGVADXNHDJKLIZ-UHFFFAOYSA-N 0 3 343.858 3.938 20 30 EHEDHN CCOc1ccc(O)c(/C=N/C[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000921262046 1123500746 /nfs/dbraw/zinc/50/07/46/1123500746.db2.gz ZBMMDDRBVUIJQB-IOVUBPJKSA-N 0 3 326.440 3.821 20 30 EHEDHN CC(C)Sc1cccc(Cl)c1CNC1CCN(CC#N)CC1 ZINC000619426213 1125348133 /nfs/dbraw/zinc/34/81/33/1125348133.db2.gz GJGKDRPZMRRBKV-UHFFFAOYSA-N 0 3 337.920 3.918 20 30 EHEDHN N#Cc1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc1Cl ZINC000619748243 1125400720 /nfs/dbraw/zinc/40/07/20/1125400720.db2.gz DCSJVWMBYRPLMB-HWKANZROSA-N 0 3 327.771 3.923 20 30 EHEDHN N#CCSc1ccccc1NC(=O)CN(C1CC1)C1CCCC1 ZINC000152952082 1125406479 /nfs/dbraw/zinc/40/64/79/1125406479.db2.gz SREPZPHXCDBWGL-UHFFFAOYSA-N 0 3 329.469 3.648 20 30 EHEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000682993777 1129257355 /nfs/dbraw/zinc/25/73/55/1129257355.db2.gz AJUSTJLQPDXFEQ-MRXNPFEDSA-N 0 3 331.375 3.907 20 30 EHEDHN CC(C)N(CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000428852014 1129529670 /nfs/dbraw/zinc/52/96/70/1129529670.db2.gz TWNRAKNKXASKSO-KRWDZBQOSA-N 0 3 335.451 3.646 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CSc4ccccc43)nc21 ZINC000735792599 1131380899 /nfs/dbraw/zinc/38/08/99/1131380899.db2.gz MYZNVUXXTAENCV-KBPBESRZSA-N 0 3 333.416 3.937 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CSc4ccccc43)[nH]c21 ZINC000735792599 1131380903 /nfs/dbraw/zinc/38/09/03/1131380903.db2.gz MYZNVUXXTAENCV-KBPBESRZSA-N 0 3 333.416 3.937 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)CC1 ZINC000125978217 1129728216 /nfs/dbraw/zinc/72/82/16/1129728216.db2.gz WWEQLWAZLNQQIL-SFHVURJKSA-N 0 3 343.515 3.608 20 30 EHEDHN C=C(C[NH2+]Cc1cc(Br)c([O-])c(OC)c1)c1ccccc1 ZINC000673812335 1129857414 /nfs/dbraw/zinc/85/74/14/1129857414.db2.gz YLHBJDMHYLIQOK-UHFFFAOYSA-N 0 3 348.240 3.966 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(COC(C)(C)C)cc2)CC1 ZINC000674576671 1130140131 /nfs/dbraw/zinc/14/01/31/1130140131.db2.gz SYKZLRWGNPZMJA-UHFFFAOYSA-N 0 3 345.487 3.774 20 30 EHEDHN C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@H]1c1ccccc1 ZINC000245724852 1130309406 /nfs/dbraw/zinc/30/94/06/1130309406.db2.gz IPLCZEWRMYERGP-OXJNMPFZSA-N 0 3 330.435 3.832 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000245929068 1130331678 /nfs/dbraw/zinc/33/16/78/1130331678.db2.gz IQIHQOIOPURSCW-IAGOWNOFSA-N 0 3 342.464 3.716 20 30 EHEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H](C)C(C)C ZINC000741788504 1131647759 /nfs/dbraw/zinc/64/77/59/1131647759.db2.gz VQCCKHYXILFLHL-KBPBESRZSA-N 0 3 329.469 3.839 20 30 EHEDHN COc1ccc(CN[C@@H](CN2CCCCC2)c2ccccc2)cc1C#N ZINC000742369588 1131716043 /nfs/dbraw/zinc/71/60/43/1131716043.db2.gz MYZXNSYCODJGDF-NRFANRHFSA-N 0 3 349.478 3.884 20 30 EHEDHN C[C@@H](Cc1c(F)cccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001172847981 1131869488 /nfs/dbraw/zinc/86/94/88/1131869488.db2.gz QWUCPWMQIJVUHW-BONVTDFDSA-N 0 3 325.836 3.684 20 30 EHEDHN C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1cccc(F)c1 ZINC001172969019 1131921291 /nfs/dbraw/zinc/92/12/91/1131921291.db2.gz RUDLNDADYNZQAL-XYPHTWIQSA-N 0 3 347.434 3.768 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2C1CCC(CC#N)CC1 ZINC001173335187 1132051435 /nfs/dbraw/zinc/05/14/35/1132051435.db2.gz CITCGSFZISURJR-GQGLESIBSA-N 0 3 333.476 3.543 20 30 EHEDHN C=C(C)Nc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC001174789234 1132463020 /nfs/dbraw/zinc/46/30/20/1132463020.db2.gz FEHVPZHQTOFZAU-UHFFFAOYSA-N 0 3 327.472 3.723 20 30 EHEDHN COC(=O)c1cc(NC2=CCN(Cc3ccccc3)CC2)ccc1C#N ZINC001175507907 1132696448 /nfs/dbraw/zinc/69/64/48/1132696448.db2.gz ZCCNJMGQLCINAO-UHFFFAOYSA-N 0 3 347.418 3.547 20 30 EHEDHN CC(C)[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccccc1 ZINC000103330861 1132825300 /nfs/dbraw/zinc/82/53/00/1132825300.db2.gz MZTFJBGESMBRBQ-IAGOWNOFSA-N 0 3 335.407 3.559 20 30 EHEDHN CC(C)[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccccc1 ZINC000103330863 1132825823 /nfs/dbraw/zinc/82/58/23/1132825823.db2.gz MZTFJBGESMBRBQ-SJORKVTESA-N 0 3 335.407 3.559 20 30 EHEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001169844736 1132873989 /nfs/dbraw/zinc/87/39/89/1132873989.db2.gz PUIMKKZMAPEBCG-QGZVFWFLSA-N 0 3 339.483 3.607 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCCN(c2ccc(C)cc2)CC1 ZINC000766894948 1132912258 /nfs/dbraw/zinc/91/22/58/1132912258.db2.gz HHYVFFSQKMNPHW-UHFFFAOYSA-N 0 3 335.451 3.588 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C)[C@H](C)C2)cc1 ZINC000766989271 1132922005 /nfs/dbraw/zinc/92/20/05/1132922005.db2.gz UFEBFHNFEMXWLC-KURKYZTESA-N 0 3 327.472 3.608 20 30 EHEDHN C#CCN(C[C@H]1CCC2(CCOCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176453408 1132938184 /nfs/dbraw/zinc/93/81/84/1132938184.db2.gz TXUQMRQPQJQJSD-TZIWHRDSSA-N 0 3 339.479 3.727 20 30 EHEDHN C=CCCCN(CC)CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC001176798147 1132997243 /nfs/dbraw/zinc/99/72/43/1132997243.db2.gz MBYVDFAPXQSEAM-UHFFFAOYSA-N 0 3 344.434 3.546 20 30 EHEDHN C#CCOc1ccccc1CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001177879937 1133114921 /nfs/dbraw/zinc/11/49/21/1133114921.db2.gz AGDXBIVGXHFHGA-VBKFSLOCSA-N 0 3 336.391 3.800 20 30 EHEDHN N#CCOc1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000769227806 1133246799 /nfs/dbraw/zinc/24/67/99/1133246799.db2.gz GUXPSOCPURVUBL-OAHLLOKOSA-N 0 3 328.362 3.857 20 30 EHEDHN CCCN(Cc1cc(C#N)cs1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769331842 1133263657 /nfs/dbraw/zinc/26/36/57/1133263657.db2.gz YBKOAJVYTPUOCO-HNNXBMFYSA-N 0 3 349.500 3.841 20 30 EHEDHN C[C@H]1COCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000769454989 1133293782 /nfs/dbraw/zinc/29/37/82/1133293782.db2.gz CLOXSVCJXMIARW-QGZVFWFLSA-N 0 3 336.435 3.606 20 30 EHEDHN C[C@@]1(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCCS1 ZINC001181373714 1133481634 /nfs/dbraw/zinc/48/16/34/1133481634.db2.gz QZALSJGMKGLNKM-MSOLQXFVSA-N 0 3 349.931 3.808 20 30 EHEDHN CCCCN(CC)[C@H](C(=O)N1CCCC[C@@H]1C#N)c1ccccc1 ZINC001182232761 1133594640 /nfs/dbraw/zinc/59/46/40/1133594640.db2.gz FCJVGCOIIJHMJL-MOPGFXCFSA-N 0 3 327.472 3.754 20 30 EHEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)sc1C ZINC000774056792 1133596591 /nfs/dbraw/zinc/59/65/91/1133596591.db2.gz YVQKOAXLMOEACO-HNNXBMFYSA-N 0 3 349.415 3.874 20 30 EHEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000772349382 1133673740 /nfs/dbraw/zinc/67/37/40/1133673740.db2.gz VQKVHDLGEMZNQT-QZTJIDSGSA-N 0 3 327.472 3.813 20 30 EHEDHN C#CCN(Cc1ccc(-n2cncn2)c(C)c1)[C@H]1CCc2ccccc21 ZINC000772600713 1133707716 /nfs/dbraw/zinc/70/77/16/1133707716.db2.gz XMNQKOIRVMUPSE-QFIPXVFZSA-N 0 3 342.446 3.698 20 30 EHEDHN CN(CCc1cccc(C#N)c1)Cc1cc(Cl)cc2c1OCC2 ZINC001183420160 1133803910 /nfs/dbraw/zinc/80/39/10/1133803910.db2.gz XKXVKEYDHMBCFT-UHFFFAOYSA-N 0 3 326.827 3.821 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)CC2CCCC2)c1 ZINC000786546431 1133872550 /nfs/dbraw/zinc/87/25/50/1133872550.db2.gz IQBGQOIKHLUQLG-CRAIPNDOSA-N 0 3 326.440 3.537 20 30 EHEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786555491 1133874951 /nfs/dbraw/zinc/87/49/51/1133874951.db2.gz UBYJPLMEEKDFSC-MLGOLLRUSA-N 0 3 348.393 3.506 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000787066334 1133945337 /nfs/dbraw/zinc/94/53/37/1133945337.db2.gz LAMYUKBGMBUUPU-DLBZAZTESA-N 0 3 326.440 3.570 20 30 EHEDHN C=CC[C@H](CO)CNCc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000774827278 1134026070 /nfs/dbraw/zinc/02/60/70/1134026070.db2.gz OCJHYCASKUYYMS-INIZCTEOSA-N 0 3 347.890 3.725 20 30 EHEDHN CC1(C(=O)OCc2ccccc2C#N)CCN(Cc2ccccc2)CC1 ZINC000772707979 1134047908 /nfs/dbraw/zinc/04/79/08/1134047908.db2.gz BAXJUZINWUHPOY-UHFFFAOYSA-N 0 3 348.446 3.904 20 30 EHEDHN Cc1cc(F)c(C#N)c(N2CCN[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC001187932288 1134401914 /nfs/dbraw/zinc/40/19/14/1134401914.db2.gz UTEGGIGLDWAUOA-QGZVFWFLSA-N 0 3 329.806 3.810 20 30 EHEDHN N#CC(C(=O)CCCc1nc(C2CC2)no1)c1nccc2ccccc21 ZINC000792105101 1134650382 /nfs/dbraw/zinc/65/03/82/1134650382.db2.gz ZSQLICXCUFDNBU-MRXNPFEDSA-N 0 3 346.390 3.694 20 30 EHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@](O)(c1ccccc1)C(C)C ZINC001170195567 1134711302 /nfs/dbraw/zinc/71/13/02/1134711302.db2.gz UOQIJXRLWVOMMZ-OAQYLSRUSA-N 0 3 343.467 3.694 20 30 EHEDHN C#CCN(CCC(=O)OCc1ccccc1)[C@H]1CCc2ccccc21 ZINC001190527858 1134713379 /nfs/dbraw/zinc/71/33/79/1134713379.db2.gz HVZOXLWLEFGDRL-NRFANRHFSA-N 0 3 333.431 3.743 20 30 EHEDHN N#CC1(c2ccccc2)CCC(N2CCC[C@]3(CCC(=O)O3)C2)CC1 ZINC001170396299 1134764604 /nfs/dbraw/zinc/76/46/04/1134764604.db2.gz WKAKNPWIAWENEK-MNLRITNHSA-N 0 3 338.451 3.562 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCC(=O)c4ccccc43)nc21 ZINC000793153421 1134864164 /nfs/dbraw/zinc/86/41/64/1134864164.db2.gz DRCVDPWDXZZWMF-JKSUJKDBSA-N 0 3 343.386 3.808 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CCC(=O)c4ccccc43)[nH]c21 ZINC000793153421 1134864170 /nfs/dbraw/zinc/86/41/70/1134864170.db2.gz DRCVDPWDXZZWMF-JKSUJKDBSA-N 0 3 343.386 3.808 20 30 EHEDHN COc1ccc(O)c(/C=N/C[C@H](c2cccs2)N2CCCC2)c1 ZINC000005293072 1134921102 /nfs/dbraw/zinc/92/11/02/1134921102.db2.gz OGOGLKVXSCULMV-PUMYGXPMSA-N 0 3 330.453 3.718 20 30 EHEDHN CC[C@H]1CN(CC#Cc2ccc(F)cc2)CCN1Cc1ccccc1 ZINC001193208112 1135114584 /nfs/dbraw/zinc/11/45/84/1135114584.db2.gz AGZQSICGTHXZGG-QFIPXVFZSA-N 0 3 336.454 3.774 20 30 EHEDHN CCN1CCN(c2cccc(Nc3nc(Cl)c(C#N)s3)c2)CC1 ZINC000804621574 1135142752 /nfs/dbraw/zinc/14/27/52/1135142752.db2.gz XLQMWZQZQVQMKM-UHFFFAOYSA-N 0 3 347.875 3.554 20 30 EHEDHN CC[C@H]1CC(NCC2(C#N)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170470758 1135214340 /nfs/dbraw/zinc/21/43/40/1135214340.db2.gz PJRQPHKUACZECG-HOTGVXAUSA-N 0 3 335.492 3.836 20 30 EHEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)C1 ZINC000805856254 1135339853 /nfs/dbraw/zinc/33/98/53/1135339853.db2.gz SLFCQRFFEORGHF-YPCVUPECSA-N 0 3 342.439 3.663 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001195497760 1135434280 /nfs/dbraw/zinc/43/42/80/1135434280.db2.gz KZZXSFNPVIFBHY-VKJFTORMSA-N 0 3 328.456 3.919 20 30 EHEDHN CCN(C(=O)C#Cc1ccccc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000747367335 1135512198 /nfs/dbraw/zinc/51/21/98/1135512198.db2.gz CDLTXCUCBMSVSA-DENIHFKCSA-N 0 3 346.474 3.722 20 30 EHEDHN C=CCN(C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C)C(C)C ZINC000807587311 1135554386 /nfs/dbraw/zinc/55/43/86/1135554386.db2.gz DWCXRZZNSTVLIP-IBGZPJMESA-N 0 3 347.503 3.683 20 30 EHEDHN CC[C@]1(C(=O)OC(C)(C)C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC001198310918 1135805007 /nfs/dbraw/zinc/80/50/07/1135805007.db2.gz SXJFETHBTPJJLK-FQEVSTJZSA-N 0 3 328.456 3.892 20 30 EHEDHN N#Cc1ccc(CNC[C@@H](O)c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000810140540 1135927187 /nfs/dbraw/zinc/92/71/87/1135927187.db2.gz WGGRPWCFTFQJKX-MRXNPFEDSA-N 0 3 338.304 3.539 20 30 EHEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(N3CCCCC3=O)cc1)CC2 ZINC000810212451 1135938118 /nfs/dbraw/zinc/93/81/18/1135938118.db2.gz BEYFBDQORQVURG-OAQYLSRUSA-N 0 3 345.446 3.852 20 30 EHEDHN CC(C)(COCC(F)F)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000810520111 1135968561 /nfs/dbraw/zinc/96/85/61/1135968561.db2.gz ALNVQVCZFBBLKC-SNVBAGLBSA-N 0 3 338.379 3.780 20 30 EHEDHN CC(C)(C)N1CC[C@](F)(C(=O)C(C#N)c2ccc3ccccc3n2)C1 ZINC000810522119 1135968994 /nfs/dbraw/zinc/96/89/94/1135968994.db2.gz XGRZJNOHICGACN-FOIQADDNSA-N 0 3 339.414 3.624 20 30 EHEDHN CC(C)(C)N1CC[C@@](F)(C(=O)C(C#N)c2ccc3ccccc3n2)C1 ZINC000810522122 1135969031 /nfs/dbraw/zinc/96/90/31/1135969031.db2.gz XGRZJNOHICGACN-YWZLYKJASA-N 0 3 339.414 3.624 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1CCCSC1 ZINC000810529422 1135970455 /nfs/dbraw/zinc/97/04/55/1135970455.db2.gz GMTWUCMRGGESJN-HOTGVXAUSA-N 0 3 344.480 3.602 20 30 EHEDHN C[C@@H]1C(N=Nc2ncnc3sccc32)CCN1Cc1ccccc1 ZINC000811635879 1136114678 /nfs/dbraw/zinc/11/46/78/1136114678.db2.gz PCKYAAFWMRKXGY-CYBMUJFWSA-N 0 3 337.452 3.754 20 30 EHEDHN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2SC(=O)C=C2C1 ZINC001202293163 1136124297 /nfs/dbraw/zinc/12/42/97/1136124297.db2.gz RWOQWTKAPJYDQO-GFCCVEGCSA-N 0 3 342.342 3.511 20 30 EHEDHN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2SC(=O)C=C2C1 ZINC001202410098 1136138090 /nfs/dbraw/zinc/13/80/90/1136138090.db2.gz WIPCHQMPFMINMB-LBPRGKRZSA-N 0 3 342.342 3.511 20 30 EHEDHN C=CCc1cc(OC)cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000811792651 1136141280 /nfs/dbraw/zinc/14/12/80/1136141280.db2.gz QKQNVABGQRZDJV-UYAOXDASSA-N 0 3 343.467 3.663 20 30 EHEDHN N#C[C@H](OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000776386973 1136173152 /nfs/dbraw/zinc/17/31/52/1136173152.db2.gz XVHDAOYXXSPSDK-UXHICEINSA-N 0 3 340.467 3.914 20 30 EHEDHN C#C[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(F)cc1 ZINC000812792538 1136244959 /nfs/dbraw/zinc/24/49/59/1136244959.db2.gz BLZFJZOBNOVVMH-NRFANRHFSA-N 0 3 338.426 3.767 20 30 EHEDHN CC(C)[C@@H](O)[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000850557236 1136285490 /nfs/dbraw/zinc/28/54/90/1136285490.db2.gz VKWNXJSLJJQVGC-ZLGUVYLKSA-N 0 3 338.451 3.998 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@H]1CC1(Cl)Cl ZINC000850740005 1136298272 /nfs/dbraw/zinc/29/82/72/1136298272.db2.gz ZVMRVCRJHBUSQH-QWRGUYRKSA-N 0 3 336.222 3.724 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](OC)C2CCC2)cc1 ZINC000850762594 1136302117 /nfs/dbraw/zinc/30/21/17/1136302117.db2.gz ZOCZLQVRHKIOMS-IXDGSTSKSA-N 0 3 342.439 3.663 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000851641132 1136398565 /nfs/dbraw/zinc/39/85/65/1136398565.db2.gz KNNKMVBJHAKMOA-BMFZPTHFSA-N 0 3 335.879 3.684 20 30 EHEDHN C=C(Br)CN[C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852732256 1136481942 /nfs/dbraw/zinc/48/19/42/1136481942.db2.gz SSYSIJHULYRTCG-ZIAGYGMSSA-N 0 3 332.669 3.896 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(N3CCCCC3=O)cc2)cc1 ZINC000113326726 1136697072 /nfs/dbraw/zinc/69/70/72/1136697072.db2.gz MBGHEKOSPJALSY-UHFFFAOYSA-N 0 3 348.446 3.505 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCCCCCC2)cc1 ZINC000856885024 1136820920 /nfs/dbraw/zinc/82/09/20/1136820920.db2.gz OTKBUYDFRWSJKP-GOSISDBHSA-N 0 3 327.472 3.896 20 30 EHEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000218683406 1136855949 /nfs/dbraw/zinc/85/59/49/1136855949.db2.gz IRILNRMVYMHIDX-ZDUSSCGKSA-N 0 3 326.843 3.724 20 30 EHEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000818118389 1136860759 /nfs/dbraw/zinc/86/07/59/1136860759.db2.gz KPLCAFJFEZWGPU-HNNXBMFYSA-N 0 3 346.228 3.562 20 30 EHEDHN CC1(C)C[C@H](NC[C@@H](O)c2ccc(C#N)cc2)c2ccc(F)cc2O1 ZINC000819174206 1136919616 /nfs/dbraw/zinc/91/96/16/1136919616.db2.gz RHKBWAQAJQOXDF-ZWKOTPCHSA-N 0 3 340.398 3.623 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858605850 1136982346 /nfs/dbraw/zinc/98/23/46/1136982346.db2.gz ZVOQQYRMDKXNBO-BTYIYWSLSA-N 0 3 336.435 3.904 20 30 EHEDHN Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1C#N ZINC000859190496 1137007106 /nfs/dbraw/zinc/00/71/06/1137007106.db2.gz MHFUHQKPWBETHU-FQEVSTJZSA-N 0 3 336.435 3.754 20 30 EHEDHN Cc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1C#N ZINC000859190496 1137007108 /nfs/dbraw/zinc/00/71/08/1137007108.db2.gz MHFUHQKPWBETHU-FQEVSTJZSA-N 0 3 336.435 3.754 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000860463308 1137061599 /nfs/dbraw/zinc/06/15/99/1137061599.db2.gz AEAIFAVEIZREOI-KZNAEPCWSA-N 0 3 344.430 3.725 20 30 EHEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1)C1CC1 ZINC000860472766 1137061904 /nfs/dbraw/zinc/06/19/04/1137061904.db2.gz NRMXFWHWVUQHPX-XVSDVWIESA-N 0 3 342.439 3.663 20 30 EHEDHN CCN(CCNC(=O)OC(C)(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000862465987 1137145610 /nfs/dbraw/zinc/14/56/10/1137145610.db2.gz ATEBWNCSUKQUCW-UHFFFAOYSA-N 0 3 343.471 3.588 20 30 EHEDHN CN(CCC#N)c1ccc(CN2CCc3c(CC#N)cccc3C2)cc1 ZINC000862542566 1137149061 /nfs/dbraw/zinc/14/90/61/1137149061.db2.gz TWGWIXAABBKCLI-UHFFFAOYSA-N 0 3 344.462 3.661 20 30 EHEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370256 1137212830 /nfs/dbraw/zinc/21/28/30/1137212830.db2.gz GKPZOLWYBLBRNF-KUHUBIRLSA-N 0 3 339.395 3.501 20 30 EHEDHN Oc1ccccc1/C=N\C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000794833708 1137272234 /nfs/dbraw/zinc/27/22/34/1137272234.db2.gz PIQIKOKWSLFQLT-NHDPSOOVSA-N 0 3 326.362 3.616 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cn(Cc2ccccc2F)cn1 ZINC001171198699 1137309963 /nfs/dbraw/zinc/30/99/63/1137309963.db2.gz OCMOKIJCZICNBT-INIZCTEOSA-N 0 3 348.425 3.663 20 30 EHEDHN C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846010702 1137325385 /nfs/dbraw/zinc/32/53/85/1137325385.db2.gz NBQJVFMLXCSNFH-HOTGVXAUSA-N 0 3 335.492 3.838 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001171230371 1137355814 /nfs/dbraw/zinc/35/58/14/1137355814.db2.gz VAHWUVLFDDJFKU-OALUTQOASA-N 0 3 333.479 3.696 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)s1 ZINC000847008203 1137382367 /nfs/dbraw/zinc/38/23/67/1137382367.db2.gz DXGDHOGFZHUOCR-MOPGFXCFSA-N 0 3 326.465 3.578 20 30 EHEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000121839933 1137386629 /nfs/dbraw/zinc/38/66/29/1137386629.db2.gz SYCUCCYTWRBBNJ-CRAIPNDOSA-N 0 3 326.440 3.646 20 30 EHEDHN C=CCOc1ccccc1[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001171374930 1137462133 /nfs/dbraw/zinc/46/21/33/1137462133.db2.gz ZMXDVTQWWFFKAX-ZDUSSCGKSA-N 0 3 339.395 3.936 20 30 EHEDHN C#CC[C@H](N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000773113226 1137466552 /nfs/dbraw/zinc/46/65/52/1137466552.db2.gz CLIVEGBOYONOQV-VJBMBRPKSA-N 0 3 348.490 3.630 20 30 EHEDHN N#Cc1ccc(OCCNc2ccc(F)c(CN3CCCC3)c2)cc1 ZINC001171484614 1137491085 /nfs/dbraw/zinc/49/10/85/1137491085.db2.gz NMFBOOXESGCMRP-UHFFFAOYSA-N 0 3 339.414 3.784 20 30 EHEDHN CCOc1cccc(N2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172310908 1137545881 /nfs/dbraw/zinc/54/58/81/1137545881.db2.gz LNCKEOPJXUCBNK-GOSISDBHSA-N 0 3 349.478 3.710 20 30 EHEDHN CCOc1ccc(N2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172312045 1137546254 /nfs/dbraw/zinc/54/62/54/1137546254.db2.gz DQMVNDKZAAVCGL-GOSISDBHSA-N 0 3 349.478 3.710 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cn(Cc2ccc(F)cc2)cn1 ZINC001172300184 1137549352 /nfs/dbraw/zinc/54/93/52/1137549352.db2.gz SLARSYNTVRFMFT-MRXNPFEDSA-N 0 3 348.425 3.663 20 30 EHEDHN CCCCCCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000875765164 1137637999 /nfs/dbraw/zinc/63/79/99/1137637999.db2.gz ILLQBTUEJRHECP-UHFFFAOYSA-N 0 3 335.492 3.856 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000876558849 1137655515 /nfs/dbraw/zinc/65/55/15/1137655515.db2.gz TVBBSYJBCRRZOU-MADCSZMMSA-N 0 3 339.625 3.780 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000876685585 1137659058 /nfs/dbraw/zinc/65/90/58/1137659058.db2.gz SMTNEZJDBYQBIC-FESTWEEDSA-N 0 3 327.255 3.623 20 30 EHEDHN COc1ccc(CCNCc2cc(C#N)cnc2Cl)c(Cl)c1 ZINC000877084035 1137669881 /nfs/dbraw/zinc/66/98/81/1137669881.db2.gz CWKMQRCGHUZZHZ-UHFFFAOYSA-N 0 3 336.222 3.601 20 30 EHEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000877376123 1137674972 /nfs/dbraw/zinc/67/49/72/1137674972.db2.gz BCDYWBOQAUISQC-DLBZAZTESA-N 0 3 327.815 3.617 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000877489042 1137678232 /nfs/dbraw/zinc/67/82/32/1137678232.db2.gz JXFGECTUZSVDPE-OAHLLOKOSA-N 0 3 340.858 3.613 20 30 EHEDHN C=CC(C)(C)CNCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877565640 1137681495 /nfs/dbraw/zinc/68/14/95/1137681495.db2.gz LNZFOELGSVPZGC-UHFFFAOYSA-N 0 3 337.464 3.736 20 30 EHEDHN N#Cc1cccc(CN[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000877759249 1137688588 /nfs/dbraw/zinc/68/85/88/1137688588.db2.gz LDTDPQKOEVGHRM-MSOLQXFVSA-N 0 3 327.815 3.617 20 30 EHEDHN Cn1cc(CN2CC[C@@](C)(C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000877811949 1137690750 /nfs/dbraw/zinc/69/07/50/1137690750.db2.gz CVNXGZGWMQURMB-QGZVFWFLSA-N 0 3 348.372 3.733 20 30 EHEDHN C=CC(C)(C)CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000878015110 1137699551 /nfs/dbraw/zinc/69/95/51/1137699551.db2.gz WPDWEHYTJKXKQG-UHFFFAOYSA-N 0 3 329.488 3.678 20 30 EHEDHN CCOC(=O)c1sc(CC2CCN([C@@H](C)CCC#N)CC2)nc1C ZINC000880265410 1137772424 /nfs/dbraw/zinc/77/24/24/1137772424.db2.gz CYDYGVDAQKNOFY-ZDUSSCGKSA-N 0 3 349.500 3.575 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000888908125 1137824422 /nfs/dbraw/zinc/82/44/22/1137824422.db2.gz UXODLUXQKZBPDV-FPOVZHCZSA-N 0 3 338.495 3.564 20 30 EHEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(C)cc1Cl)[C@H]1CCCO1 ZINC000883237820 1137850011 /nfs/dbraw/zinc/85/00/11/1137850011.db2.gz KZDKWNNRSVVENC-IAGOWNOFSA-N 0 3 336.863 3.690 20 30 EHEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000348248366 1137877205 /nfs/dbraw/zinc/87/72/05/1137877205.db2.gz UXQODQXCYLNSOD-LRDDRELGSA-N 0 3 348.372 3.731 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2ccccc2F)CC1 ZINC000106275782 1137883205 /nfs/dbraw/zinc/88/32/05/1137883205.db2.gz YYFOWEPKGRDMRM-HNNXBMFYSA-N 0 3 333.451 3.569 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCCc2ccccc2)CC1 ZINC000106275778 1137883232 /nfs/dbraw/zinc/88/32/32/1137883232.db2.gz BSGFJBDYFKMONQ-UHFFFAOYSA-N 0 3 343.515 3.691 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000118394428 1137933673 /nfs/dbraw/zinc/93/36/73/1137933673.db2.gz ADAIGVRGGNMCMA-AWEZNQCLSA-N 0 3 339.464 3.575 20 30 EHEDHN N#CC1(C[C@H](O)CN2CCC(Oc3ccccc3Cl)CC2)CCC1 ZINC000886083173 1138038857 /nfs/dbraw/zinc/03/88/57/1138038857.db2.gz HAEATLPIBWSORL-HNNXBMFYSA-N 0 3 348.874 3.628 20 30 EHEDHN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886229407 1138061208 /nfs/dbraw/zinc/06/12/08/1138061208.db2.gz PATIPQLQXSYXLK-JSGCOSHPSA-N 0 3 346.862 3.654 20 30 EHEDHN CC(C)[C@@H](Cc1ccccc1)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000886423489 1138074730 /nfs/dbraw/zinc/07/47/30/1138074730.db2.gz DKKQNXBGKIEKDN-LJQANCHMSA-N 0 3 346.434 3.965 20 30 EHEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1ccccc1SCC#N ZINC000072663553 1138106820 /nfs/dbraw/zinc/10/68/20/1138106820.db2.gz ORAXPWRGJQUMGH-INMHGKMJSA-N 0 3 343.496 3.894 20 30 EHEDHN CSc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1C#N ZINC000886686482 1138115282 /nfs/dbraw/zinc/11/52/82/1138115282.db2.gz QVYJHZHYNKOHAL-GFCCVEGCSA-N 0 3 326.421 3.860 20 30 EHEDHN C=CCCCN(C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000077437919 1138139502 /nfs/dbraw/zinc/13/95/02/1138139502.db2.gz GSEAAAXIUWFXIN-UHFFFAOYSA-N 0 3 347.528 3.708 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CCC)[C@H]2CCc3ccccc32)CC1 ZINC000264330487 1138478386 /nfs/dbraw/zinc/47/83/86/1138478386.db2.gz DRPRHBVAUIMKIW-FQEVSTJZSA-N 0 3 341.499 3.746 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc(O[C@H](C)CC)c2)CC1 ZINC000264333915 1138479738 /nfs/dbraw/zinc/47/97/38/1138479738.db2.gz GDNAQAUUZKTPOZ-OAHLLOKOSA-N 0 3 331.460 3.636 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CCc2ccccc2)CC(C)C)CC1 ZINC000264386767 1138497384 /nfs/dbraw/zinc/49/73/84/1138497384.db2.gz VYRRORJCDFCDEX-UHFFFAOYSA-N 0 3 343.515 3.547 20 30 EHEDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000264452539 1138520818 /nfs/dbraw/zinc/52/08/18/1138520818.db2.gz IIZHLHBSZUCBFJ-HUUCEWRRSA-N 0 3 333.501 3.996 20 30 EHEDHN C=CCSc1ccccc1NC(=O)CN(C)C1CCC(OC)CC1 ZINC000265263530 1138787540 /nfs/dbraw/zinc/78/75/40/1138787540.db2.gz YTJGYMAQKOTYHN-UHFFFAOYSA-N 0 3 348.512 3.793 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)CC1 ZINC000174770577 1139440431 /nfs/dbraw/zinc/44/04/31/1139440431.db2.gz USJBIMUYZMYTOX-FUHWJXTLSA-N 0 3 345.487 3.803 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2C)CC1 ZINC000174914229 1139450045 /nfs/dbraw/zinc/45/00/45/1139450045.db2.gz GHIXBKQYJBBBAQ-UHFFFAOYSA-N 0 3 341.377 3.786 20 30 EHEDHN C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000181545493 1139914292 /nfs/dbraw/zinc/91/42/92/1139914292.db2.gz LHWFJQTYDHQHDY-MRXNPFEDSA-N 0 3 333.435 3.531 20 30 EHEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000184991815 1140129539 /nfs/dbraw/zinc/12/95/39/1140129539.db2.gz CMVFCIYYQVLDHZ-QGZVFWFLSA-N 0 3 329.488 3.678 20 30 EHEDHN COC(=O)COc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000185674852 1140162088 /nfs/dbraw/zinc/16/20/88/1140162088.db2.gz XJXKYHABZQGKHR-GJZGRUSLSA-N 0 3 338.407 3.522 20 30 EHEDHN COc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C2CC2)cc1 ZINC000193347909 1140572985 /nfs/dbraw/zinc/57/29/85/1140572985.db2.gz LTOSFGXKOVFRAJ-VLIAUNLRSA-N 0 3 349.434 3.635 20 30 EHEDHN C=CCC(CC=C)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000268209573 1140903247 /nfs/dbraw/zinc/90/32/47/1140903247.db2.gz OPCVZZKLWUEQMI-UHFFFAOYSA-N 0 3 326.484 3.878 20 30 EHEDHN C=C[C@@H](CC(=O)N(CC(C)C)C1CCN(C)CC1)c1ccccc1 ZINC000270457849 1141226673 /nfs/dbraw/zinc/22/66/73/1141226673.db2.gz WIKRERLJUNBANP-SFHVURJKSA-N 0 3 328.500 3.925 20 30 EHEDHN CC(=O)Nc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000271185591 1141321305 /nfs/dbraw/zinc/32/13/05/1141321305.db2.gz ZXCXNWDPRYRETK-UHFFFAOYSA-N 0 3 349.434 3.560 20 30 EHEDHN C=CCN(CC=C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000098071998 219078277 /nfs/dbraw/zinc/07/82/77/219078277.db2.gz DHLHRNJMTBIIHE-UHFFFAOYSA-N 0 3 343.496 3.891 20 30 EHEDHN CN(Cc1ccccn1)[C@@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000328628002 258030882 /nfs/dbraw/zinc/03/08/82/258030882.db2.gz GTIURDAKDIUGJC-GOSISDBHSA-N 0 3 340.496 3.501 20 30 EHEDHN N#CC(C(=O)CCCc1ncc(-c2ccccc2)o1)c1ccccn1 ZINC000049458677 1014173340 /nfs/dbraw/zinc/17/33/40/1014173340.db2.gz DSBXEKVFBYZDKA-INIZCTEOSA-N 0 3 331.375 3.936 20 30 EHEDHN C=CCOc1ccccc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000471135595 1014719463 /nfs/dbraw/zinc/71/94/63/1014719463.db2.gz CLRHSIRMKFPCSV-UZLBHIALSA-N 0 3 338.451 3.673 20 30 EHEDHN C=CCN(CCC(=O)Nc1sccc1C#N)Cc1cccs1 ZINC000023324342 1032107449 /nfs/dbraw/zinc/10/74/49/1032107449.db2.gz RKNFMJBZRKRNFB-UHFFFAOYSA-N 0 3 331.466 3.698 20 30 EHEDHN C=C[C@@H](C)NCc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000153702870 1016333372 /nfs/dbraw/zinc/33/33/72/1016333372.db2.gz VTHMHGMAAFQOSL-OAHLLOKOSA-N 0 3 327.424 3.947 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000538153702 1032177050 /nfs/dbraw/zinc/17/70/50/1032177050.db2.gz WIPNBAQYKBXDBE-PMACEKPBSA-N 0 3 329.488 3.808 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2sc3ncccc3c2Cl)CC1 ZINC000528451813 1032324201 /nfs/dbraw/zinc/32/42/01/1032324201.db2.gz ZNDRHNZXBQDARR-UHFFFAOYSA-N 0 3 349.887 3.720 20 30 EHEDHN Cc1cc(C)c(C#N)c(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000348171881 1032371286 /nfs/dbraw/zinc/37/12/86/1032371286.db2.gz VRVSJNJNMFIBCU-LJQANCHMSA-N 0 3 334.467 3.671 20 30 EHEDHN C[C@H](Cc1cc(Br)ccc1F)NCc1ccc(C#N)o1 ZINC000537317813 1032627351 /nfs/dbraw/zinc/62/73/51/1032627351.db2.gz LWYHDLDFKWCZMG-SNVBAGLBSA-N 0 3 337.192 3.774 20 30 EHEDHN N#Cc1cccc(OCCCN2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593055526 1032686842 /nfs/dbraw/zinc/68/68/42/1032686842.db2.gz XCBSETWKOMJPQK-UHFFFAOYSA-N 0 3 342.336 3.694 20 30 EHEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000466934331 1018010453 /nfs/dbraw/zinc/01/04/53/1018010453.db2.gz WHOLJYTYZSAIOF-ZBFHGGJFSA-N 0 3 333.863 3.707 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1scc(C)c1C#N)c1ccco1 ZINC000574169158 1032747920 /nfs/dbraw/zinc/74/79/20/1032747920.db2.gz DCTOEUZMJUTRDA-OCCSQVGLSA-N 0 3 346.456 3.772 20 30 EHEDHN C=CCCN(C)CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000467283345 1019369041 /nfs/dbraw/zinc/36/90/41/1019369041.db2.gz IRJFODIXZRHOSV-NRFANRHFSA-N 0 3 340.442 3.881 20 30 EHEDHN CC(C)Sc1ccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345111038 1019956006 /nfs/dbraw/zinc/95/60/06/1019956006.db2.gz KKTJEJVJNYGECD-HUUCEWRRSA-N 0 3 345.512 3.789 20 30 EHEDHN C=CCOc1ccccc1CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000093842213 1032910239 /nfs/dbraw/zinc/91/02/39/1032910239.db2.gz ARLMJPNYLWBQKQ-HXUWFJFHSA-N 0 3 345.483 3.802 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3nccnc3c2)s1 ZINC000430598085 1020882584 /nfs/dbraw/zinc/88/25/84/1020882584.db2.gz NQNHSQPQDFROCU-LBPRGKRZSA-N 0 3 336.420 3.874 20 30 EHEDHN C[C@H](CCC#N)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000276269516 1020983847 /nfs/dbraw/zinc/98/38/47/1020983847.db2.gz CPIQUYCLVNLMFA-CYBMUJFWSA-N 0 3 337.261 3.985 20 30 EHEDHN CC(C)=CCN(CCC(=O)N(C)CCC#N)Cc1ccc(Cl)cc1 ZINC000439485441 1021493312 /nfs/dbraw/zinc/49/33/12/1021493312.db2.gz SRGOHCDEADOHNT-UHFFFAOYSA-N 0 3 347.890 3.870 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000684411744 1021666179 /nfs/dbraw/zinc/66/61/79/1021666179.db2.gz NBGKNJDFVDIWOI-UHFFFAOYSA-N 0 3 344.480 3.636 20 30 EHEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000518936990 1021690990 /nfs/dbraw/zinc/69/09/90/1021690990.db2.gz TVNIWBYQRBGORI-VQTJNVASSA-N 0 3 346.434 3.593 20 30 EHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000925061097 1021766891 /nfs/dbraw/zinc/76/68/91/1021766891.db2.gz RKKWBSPNWOZWKU-CABCVRRESA-N 0 3 347.478 3.766 20 30 EHEDHN CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](CC)c1ccccc1 ZINC000520172802 1021989577 /nfs/dbraw/zinc/98/95/77/1021989577.db2.gz ZXFBOCGMIDKDAZ-QUCCMNQESA-N 0 3 327.472 3.658 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000602604101 1033021856 /nfs/dbraw/zinc/02/18/56/1033021856.db2.gz WMLFUTUGOHZUNI-RBUKOAKNSA-N 0 3 345.462 3.975 20 30 EHEDHN C[C@H](CCc1ccc(OC(F)F)cc1)NCc1nc(C#N)cs1 ZINC000897629861 1033024591 /nfs/dbraw/zinc/02/45/91/1033024591.db2.gz ZSQIXLXBUPFOKV-LLVKDONJSA-N 0 3 337.395 3.727 20 30 EHEDHN CCOc1ccccc1CN1CCN(CCCC(C)(C)C#N)[C@H](C)C1 ZINC000441390657 1022206391 /nfs/dbraw/zinc/20/63/91/1022206391.db2.gz YBQOZZWFLMKSQO-GOSISDBHSA-N 0 3 343.515 3.921 20 30 EHEDHN COC(=O)c1c[nH]c(CN[C@@H]2CCCc3cc(C#N)ccc32)c1C1CC1 ZINC000894964746 1022296248 /nfs/dbraw/zinc/29/62/48/1022296248.db2.gz XJHSERKHWNSMJY-GOSISDBHSA-N 0 3 349.434 3.718 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000065028992 1022595989 /nfs/dbraw/zinc/59/59/89/1022595989.db2.gz JCCBGENZSNYFPG-DNVCBOLYSA-N 0 3 334.423 3.515 20 30 EHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000430744964 1022645152 /nfs/dbraw/zinc/64/51/52/1022645152.db2.gz WWIFBNDYCVNYSG-OAHLLOKOSA-N 0 3 346.496 3.747 20 30 EHEDHN CC(C)(C#N)CCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510592306 1022718230 /nfs/dbraw/zinc/71/82/30/1022718230.db2.gz PIKJSNVMARVNCG-IBGZPJMESA-N 0 3 341.499 3.530 20 30 EHEDHN N#Cc1ccc(CN2CCCN(C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000506263745 1022751011 /nfs/dbraw/zinc/75/10/11/1022751011.db2.gz YEHAIHYLTJYIFM-HNQUOIGGSA-N 0 3 349.453 3.918 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC000602708471 1033094238 /nfs/dbraw/zinc/09/42/38/1033094238.db2.gz FQFNIAALCYAAMG-DZGCQCFKSA-N 0 3 348.409 3.565 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000602708473 1033095624 /nfs/dbraw/zinc/09/56/24/1033095624.db2.gz FQFNIAALCYAAMG-HIFRSBDPSA-N 0 3 348.409 3.565 20 30 EHEDHN C[C@H](CC1CCCC1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000510726035 1023035387 /nfs/dbraw/zinc/03/53/87/1023035387.db2.gz SCYZGDFAWXNMFI-QGZVFWFLSA-N 0 3 341.499 3.665 20 30 EHEDHN Cc1cccc(C2(NCC(=O)NCc3ccc(C#N)cc3)CCCC2)c1 ZINC000506463206 1023212994 /nfs/dbraw/zinc/21/29/94/1023212994.db2.gz NBYNHIYNEDRLOJ-UHFFFAOYSA-N 0 3 347.462 3.542 20 30 EHEDHN C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]2CCCC[C@H]21 ZINC000248414734 1023258590 /nfs/dbraw/zinc/25/85/90/1023258590.db2.gz HHFDMEJFHVARLV-ISTRZQFTSA-N 0 3 331.847 3.661 20 30 EHEDHN CC(C)(C)CN(CCC#N)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000341891632 1023628663 /nfs/dbraw/zinc/62/86/63/1023628663.db2.gz OKAFJJYSHAEBDY-FQEVSTJZSA-N 0 3 343.515 3.539 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc(OC(C)(C)C)c2)CC1 ZINC000934046658 1023688699 /nfs/dbraw/zinc/68/86/99/1023688699.db2.gz ZMLPNAIIRWSHGC-UHFFFAOYSA-N 0 3 331.460 3.636 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610971777 1023917804 /nfs/dbraw/zinc/91/78/04/1023917804.db2.gz DWNHHDVOIZTRLD-GOSISDBHSA-N 0 3 347.462 3.603 20 30 EHEDHN CC(C)(NCc1ccnc(C#N)c1)c1ccc(Br)cc1 ZINC000610993648 1023979465 /nfs/dbraw/zinc/97/94/65/1023979465.db2.gz YLQYUPUIOFMQGZ-UHFFFAOYSA-N 0 3 330.229 3.741 20 30 EHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000329772468 1024190921 /nfs/dbraw/zinc/19/09/21/1024190921.db2.gz HLWVGWFVYZVPEK-YLFCFFPRSA-N 0 3 332.492 3.821 20 30 EHEDHN Cc1nc(C)c(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)s1 ZINC000329815556 1024205331 /nfs/dbraw/zinc/20/53/31/1024205331.db2.gz DOJVDMZYOXEEPG-BLLLJJGKSA-N 0 3 344.484 3.749 20 30 EHEDHN Cc1cccc([C@@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)c1C ZINC000183718301 1024298761 /nfs/dbraw/zinc/29/87/61/1024298761.db2.gz VHLKKJNRXYPMIL-QGZVFWFLSA-N 0 3 327.472 3.639 20 30 EHEDHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330059729 1024304894 /nfs/dbraw/zinc/30/48/94/1024304894.db2.gz LMOPNYADJSEQEK-LSDHHAIUSA-N 0 3 341.455 3.956 20 30 EHEDHN CC[C@@H](C)n1ncc(NC(=O)N2CCN(C3CCCCC3)CC2)c1C ZINC000330137224 1024330649 /nfs/dbraw/zinc/33/06/49/1024330649.db2.gz USPXLOBBQACZQA-OAHLLOKOSA-N 0 3 347.507 3.658 20 30 EHEDHN CC[C@H](C)n1ncc(NC(=O)N2CCN(C3CCCCC3)CC2)c1C ZINC000330137223 1024331055 /nfs/dbraw/zinc/33/10/55/1024331055.db2.gz USPXLOBBQACZQA-HNNXBMFYSA-N 0 3 347.507 3.658 20 30 EHEDHN Cn1c2ccc(F)cc2nc1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000330136671 1024332428 /nfs/dbraw/zinc/33/24/28/1024332428.db2.gz NKVFHXKANWMGJT-MRXNPFEDSA-N 0 3 330.407 3.707 20 30 EHEDHN C=CCOc1ccccc1CNC[C@@H](c1c(F)cccc1F)N(C)C ZINC000522369702 1024362764 /nfs/dbraw/zinc/36/27/64/1024362764.db2.gz QKSLXQYIFFFUOI-SFHVURJKSA-N 0 3 346.421 3.922 20 30 EHEDHN C[C@H](NCc1ccccc1Cn1cccn1)c1ccc(C#N)c(F)c1 ZINC000346047718 1024412816 /nfs/dbraw/zinc/41/28/16/1024412816.db2.gz OUSVMQIAYPVDAZ-HNNXBMFYSA-N 0 3 334.398 3.793 20 30 EHEDHN C[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)N1[C@H](C)CC[C@H]1C ZINC000346167788 1024482766 /nfs/dbraw/zinc/48/27/66/1024482766.db2.gz ZUDXREPZFDRAAL-KURKYZTESA-N 0 3 347.462 3.681 20 30 EHEDHN Cc1ccccc1OCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000729543052 1024585301 /nfs/dbraw/zinc/58/53/01/1024585301.db2.gz DNBLVASPKHQVJO-UHFFFAOYSA-N 0 3 336.435 3.789 20 30 EHEDHN C=CCC1(O)CCN(Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000895834816 1024899461 /nfs/dbraw/zinc/89/94/61/1024899461.db2.gz RQOCLYBFVIXKNO-UHFFFAOYSA-N 0 3 338.451 3.660 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000281331635 1024906524 /nfs/dbraw/zinc/90/65/24/1024906524.db2.gz LIVPGUIMAAUTCC-QGZVFWFLSA-N 0 3 344.503 3.613 20 30 EHEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1coc3ccc(F)cc13)C2 ZINC001141852973 1024960411 /nfs/dbraw/zinc/96/04/11/1024960411.db2.gz XZNOWNFRKXFDEY-FXAWDEMLSA-N 0 3 345.414 3.898 20 30 EHEDHN C=CCS(=O)(=O)CCN[C@H](Cc1ccccc1)c1sccc1C ZINC000783530875 1024996590 /nfs/dbraw/zinc/99/65/90/1024996590.db2.gz DIXSSLDXXVQMPF-QGZVFWFLSA-N 0 3 349.521 3.531 20 30 EHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000895960714 1025000632 /nfs/dbraw/zinc/00/06/32/1025000632.db2.gz HNZCGYWNXUSVRP-CVEARBPZSA-N 0 3 342.487 3.532 20 30 EHEDHN COC(=O)c1ccc(CNCc2ccc(SC)c(C#N)c2)cc1C ZINC000896045196 1025096258 /nfs/dbraw/zinc/09/62/58/1025096258.db2.gz DCYFOWWUSTWXIG-UHFFFAOYSA-N 0 3 340.448 3.665 20 30 EHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(F)cccc1Br ZINC000435747367 1025109059 /nfs/dbraw/zinc/10/90/59/1025109059.db2.gz HKEMKFIXZJPJDV-IAQYHMDHSA-N 0 3 328.225 3.659 20 30 EHEDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602912996 1033261506 /nfs/dbraw/zinc/26/15/06/1033261506.db2.gz PWCHDWGTNSRGBE-AWEZNQCLSA-N 0 3 336.395 3.802 20 30 EHEDHN C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000515548573 1025341975 /nfs/dbraw/zinc/34/19/75/1025341975.db2.gz HVZSECYJNYSVEP-YZGWKJHDSA-N 0 3 339.483 3.834 20 30 EHEDHN Cc1cnc(C2CCN(CCOc3cccc(C#N)c3)CC2)s1 ZINC000277489500 1025380499 /nfs/dbraw/zinc/38/04/99/1025380499.db2.gz RCSDSLUFTNFJTL-UHFFFAOYSA-N 0 3 327.453 3.582 20 30 EHEDHN COc1cc(CNCc2cccc(OCC(F)F)c2)ccc1C#N ZINC000281729647 1025427374 /nfs/dbraw/zinc/42/73/74/1025427374.db2.gz PRWUCGSWGRPGTQ-UHFFFAOYSA-N 0 3 332.350 3.501 20 30 EHEDHN CSc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000281825259 1025545367 /nfs/dbraw/zinc/54/53/67/1025545367.db2.gz KLHGHQDGAHWFOV-CABCVRRESA-N 0 3 345.512 3.790 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000451115371 1025550617 /nfs/dbraw/zinc/55/06/17/1025550617.db2.gz OSZZFCIQHBCCNE-AUSJPIAWSA-N 0 3 327.472 3.658 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000436293736 1025555816 /nfs/dbraw/zinc/55/58/16/1025555816.db2.gz DPKDZLXGADOKBK-AHRSYUTCSA-N 0 3 326.415 3.881 20 30 EHEDHN CCCN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCc2ccccc21 ZINC000521820489 1025710071 /nfs/dbraw/zinc/71/00/71/1025710071.db2.gz BRBRPBPDLBTLKE-IBGZPJMESA-N 0 3 339.483 3.729 20 30 EHEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](c1cccs1)C1CC1 ZINC000540469681 1025715365 /nfs/dbraw/zinc/71/53/65/1025715365.db2.gz YYDMTDYPNIXVNL-QGZVFWFLSA-N 0 3 345.855 3.953 20 30 EHEDHN C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](C)C1 ZINC000329337605 1025762858 /nfs/dbraw/zinc/76/28/58/1025762858.db2.gz MMXIEALCBPRJEX-WWRWRHIGSA-N 0 3 333.476 3.556 20 30 EHEDHN C=CCSc1ccccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347289758 1025819013 /nfs/dbraw/zinc/81/90/13/1025819013.db2.gz MPBVUDVQTOKFFP-INIZCTEOSA-N 0 3 330.497 3.711 20 30 EHEDHN CC[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC(=O)N1 ZINC000329467117 1025887689 /nfs/dbraw/zinc/88/76/89/1025887689.db2.gz VXWVGGJUTKJJFK-KSZLIROESA-N 0 3 343.471 3.925 20 30 EHEDHN COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)CC#N)c1[O-] ZINC000848552509 1025926124 /nfs/dbraw/zinc/92/61/24/1025926124.db2.gz LQIUXWIDJOYDSG-JTQLQIEISA-N 0 3 341.249 3.754 20 30 EHEDHN CC1(C)[C@H](NCc2ccc(Br)cc2C#N)[C@H]2CCCO[C@H]21 ZINC000451483234 1026026185 /nfs/dbraw/zinc/02/61/85/1026026185.db2.gz XOLIZBVFIRAFTL-BZUAXINKSA-N 0 3 349.272 3.614 20 30 EHEDHN N#Cc1ccc(NC(=O)CCN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000342545125 1026217035 /nfs/dbraw/zinc/21/70/35/1026217035.db2.gz QTBMJHUNMPTEPR-UHFFFAOYSA-N 0 3 349.409 3.815 20 30 EHEDHN N#CCOc1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000048162015 1026251074 /nfs/dbraw/zinc/25/10/74/1026251074.db2.gz KKCMKZZSKYNWOC-UHFFFAOYSA-N 0 3 331.213 3.641 20 30 EHEDHN C=CCCn1cc(CNC[C@@H](C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000657445210 1026414757 /nfs/dbraw/zinc/41/47/57/1026414757.db2.gz BYTGNESJZMPWFV-CYBMUJFWSA-N 0 3 338.377 3.766 20 30 EHEDHN CN(CC#Cc1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000452028105 1026446571 /nfs/dbraw/zinc/44/65/71/1026446571.db2.gz BQGWTAFCWDJLKU-UHFFFAOYSA-N 0 3 344.808 3.650 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277715193 1026666300 /nfs/dbraw/zinc/66/63/00/1026666300.db2.gz IUTHORMZMZMSGF-GDBMZVCRSA-N 0 3 340.389 3.623 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277715196 1026666402 /nfs/dbraw/zinc/66/64/02/1026666402.db2.gz IUTHORMZMZMSGF-GOEBONIOSA-N 0 3 340.389 3.623 20 30 EHEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)nn1 ZINC000657486733 1026722342 /nfs/dbraw/zinc/72/23/42/1026722342.db2.gz ISBOJPAWHKZUKJ-NVXWUHKLSA-N 0 3 330.863 3.934 20 30 EHEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301399402 1026791514 /nfs/dbraw/zinc/79/15/14/1026791514.db2.gz OYWGKUPAGXKFAY-UHFFFAOYSA-N 0 3 329.322 3.676 20 30 EHEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301458973 1026812988 /nfs/dbraw/zinc/81/29/88/1026812988.db2.gz XZVJDNCKQDCMFQ-UHFFFAOYSA-N 0 3 329.322 3.676 20 30 EHEDHN N#Cc1ccc(CN[C@H]2CCCN(c3cccc(F)c3)C2)c(F)c1 ZINC000533445750 1027913800 /nfs/dbraw/zinc/91/38/00/1027913800.db2.gz IJUNUJIVUUCAPV-KRWDZBQOSA-N 0 3 327.378 3.595 20 30 EHEDHN N#Cc1c(F)cccc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000366856623 1028234281 /nfs/dbraw/zinc/23/42/81/1028234281.db2.gz IJKOYBOWRQQFQD-UHFFFAOYSA-N 0 3 341.352 3.915 20 30 EHEDHN Cc1oc(NC(=O)CN[C@@H](c2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000502490342 1028247542 /nfs/dbraw/zinc/24/75/42/1028247542.db2.gz XMKHMRZYGGQPTB-GOSISDBHSA-N 0 3 343.402 3.833 20 30 EHEDHN C=CC[C@H]1N(Cc2cc(=O)n3c(C)csc3n2)CCCC1(C)C ZINC000444775230 1028264831 /nfs/dbraw/zinc/26/48/31/1028264831.db2.gz MFIDMUFJTRRUFQ-OAHLLOKOSA-N 0 3 331.485 3.631 20 30 EHEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000523896293 1028698829 /nfs/dbraw/zinc/69/88/29/1028698829.db2.gz SYBVIXZFZHHKQU-CVEARBPZSA-N 0 3 335.517 3.785 20 30 EHEDHN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@@H](N)CCCC#N)c2)C1 ZINC000424104118 1028787381 /nfs/dbraw/zinc/78/73/81/1028787381.db2.gz GGQPZICCDSWADU-LZQZEXGQSA-N 0 3 343.471 3.742 20 30 EHEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000424124196 1028819940 /nfs/dbraw/zinc/81/99/40/1028819940.db2.gz MAHVEIHLAJUQQR-JTQLQIEISA-N 0 3 347.818 3.657 20 30 EHEDHN CC(C)c1ccc(C2(CNC(=O)[C@@H](N)CCCC#N)CCCC2)cc1 ZINC000424147143 1028834680 /nfs/dbraw/zinc/83/46/80/1028834680.db2.gz XSUOVTIDYCRWQX-IBGZPJMESA-N 0 3 341.499 3.759 20 30 EHEDHN N#Cc1ccc(CN2CCC(N[C@H]3C[C@]3(F)c3ccccc3)CC2)cc1 ZINC000424181903 1028853754 /nfs/dbraw/zinc/85/37/54/1028853754.db2.gz DZEYSOJBFRHZIS-VXKWHMMOSA-N 0 3 349.453 3.750 20 30 EHEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000505282934 1029435271 /nfs/dbraw/zinc/43/52/71/1029435271.db2.gz HEYGFLIIZLIVIF-BHIFYINESA-N 0 3 331.463 3.673 20 30 EHEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000533309762 1029592409 /nfs/dbraw/zinc/59/24/09/1029592409.db2.gz QZPGTMYHKHOJCU-SFHVURJKSA-N 0 3 331.822 3.743 20 30 EHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000192151398 1029604782 /nfs/dbraw/zinc/60/47/82/1029604782.db2.gz LAHBFQJHIRNSCJ-ZDUSSCGKSA-N 0 3 337.398 3.897 20 30 EHEDHN CCN1CCN(c2cccc(NCc3ccc(C#N)c(C)c3)c2)CC1 ZINC000446801050 1029803239 /nfs/dbraw/zinc/80/32/39/1029803239.db2.gz HCJOORJXZKBPEG-UHFFFAOYSA-N 0 3 334.467 3.621 20 30 EHEDHN CC[C@@H]1C[C@H](CN2CCN(c3ccc(C#N)cc3Cl)CC2)CCO1 ZINC000446919564 1029854644 /nfs/dbraw/zinc/85/46/44/1029854644.db2.gz UKOZTMCQMXPCOV-IAGOWNOFSA-N 0 3 347.890 3.539 20 30 EHEDHN CC[C@H](CN(CC)CC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000481746687 1029892451 /nfs/dbraw/zinc/89/24/51/1029892451.db2.gz SUGIISYLVWUAKS-ZWKOTPCHSA-N 0 3 329.488 3.510 20 30 EHEDHN CC[C@@H](CN(CC)CC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000481739934 1029898623 /nfs/dbraw/zinc/89/86/23/1029898623.db2.gz URPLRVOVBCVJAC-PXNSSMCTSA-N 0 3 329.488 3.557 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453370196 1030188863 /nfs/dbraw/zinc/18/88/63/1030188863.db2.gz FSVABKQPLSSPMI-GFCCVEGCSA-N 0 3 337.398 3.778 20 30 EHEDHN CC[C@H](N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447587806 1030320722 /nfs/dbraw/zinc/32/07/22/1030320722.db2.gz RPVFRXXQGCAYTA-UIAACRFSSA-N 0 3 333.435 3.793 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccccc1 ZINC000052485613 1030361798 /nfs/dbraw/zinc/36/17/98/1030361798.db2.gz CLERTPNEKWGSQE-UHFFFAOYSA-N 0 3 342.512 3.785 20 30 EHEDHN C=CCN(C)CCN(CC)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000429723705 1030379623 /nfs/dbraw/zinc/37/96/23/1030379623.db2.gz KQWAKQKHSMDVJV-UHFFFAOYSA-N 0 3 333.863 3.935 20 30 EHEDHN C[C@@H]1[C@H](C)N(Cc2cccc(OCc3cccc(C#N)c3)c2)CCN1C ZINC000482509367 1030488422 /nfs/dbraw/zinc/48/84/22/1030488422.db2.gz NJXWSRLKWMRJGX-MSOLQXFVSA-N 0 3 349.478 3.662 20 30 EHEDHN CO[C@H]1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000091772808 1030677587 /nfs/dbraw/zinc/67/75/87/1030677587.db2.gz WITMXPRGUVXRFI-NRFANRHFSA-N 0 3 336.435 3.748 20 30 EHEDHN CO[C@]1(C)CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000482986049 1030873457 /nfs/dbraw/zinc/87/34/57/1030873457.db2.gz QJCCFXWWCXGAJS-QGZVFWFLSA-N 0 3 325.374 3.948 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2s1 ZINC000527484612 1030909499 /nfs/dbraw/zinc/90/94/99/1030909499.db2.gz QDXMYNFTGBPTON-CKFHNAJUSA-N 0 3 343.496 3.995 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2cc(C)ccc2C)CC1 ZINC000527768032 1031233589 /nfs/dbraw/zinc/23/35/89/1031233589.db2.gz CRECNPNDQBMHLZ-LJQANCHMSA-N 0 3 329.488 3.704 20 30 EHEDHN N#Cc1cccc(OCCN2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000477516212 1031623527 /nfs/dbraw/zinc/62/35/27/1031623527.db2.gz YKQGKRGTKGJFCC-SFHVURJKSA-N 0 3 336.391 3.503 20 30 EHEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@@H](C2CC2)C1 ZINC000329684978 1031786429 /nfs/dbraw/zinc/78/64/29/1031786429.db2.gz ZTDQCVUDISGYAM-DZGCQCFKSA-N 0 3 330.428 3.556 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000181343511 1031976991 /nfs/dbraw/zinc/97/69/91/1031976991.db2.gz DYTJGHVQCGNSRN-UYAOXDASSA-N 0 3 327.472 3.562 20 30 EHEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(Br)cc1F ZINC000598617479 1033329057 /nfs/dbraw/zinc/32/90/57/1033329057.db2.gz SAACGRAZXWGICK-CMPLNLGQSA-N 0 3 343.240 3.540 20 30 EHEDHN N#Cc1ccc2c(c1)CN(C(=O)c1cccc(CN3CCCCC3)c1)C2 ZINC000594399280 1033335407 /nfs/dbraw/zinc/33/54/07/1033335407.db2.gz IXTMFXSFSSXHSW-UHFFFAOYSA-N 0 3 345.446 3.700 20 30 EHEDHN N#CCc1cccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000455946642 1033335918 /nfs/dbraw/zinc/33/59/18/1033335918.db2.gz NJMKZQUITYTRBI-FQEVSTJZSA-N 0 3 348.450 3.711 20 30 EHEDHN C[C@H](CNC(=O)[C@@H](N)CCCCC#N)c1c(Cl)cccc1Cl ZINC000594440360 1033375265 /nfs/dbraw/zinc/37/52/65/1033375265.db2.gz YHHBGSIBOWKFDQ-RISCZKNCSA-N 0 3 342.270 3.624 20 30 EHEDHN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594441860 1033376269 /nfs/dbraw/zinc/37/62/69/1033376269.db2.gz AGFCFIVWHSRFAH-UHOSZYNNSA-N 0 3 327.472 3.706 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000594446478 1033378395 /nfs/dbraw/zinc/37/83/95/1033378395.db2.gz UJDFEXHAFONOAQ-IBGZPJMESA-N 0 3 345.462 3.551 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000594426562 1033388134 /nfs/dbraw/zinc/38/81/34/1033388134.db2.gz FBAXTMGMWQWQLF-SFTDATJTSA-N 0 3 349.478 3.888 20 30 EHEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000603150080 1033407827 /nfs/dbraw/zinc/40/78/27/1033407827.db2.gz UFMWBNPOCFQTHR-UHFFFAOYSA-N 0 3 342.468 3.524 20 30 EHEDHN C=CCOc1ccc(CNCc2c(C)nc3ccccn32)cc1OC ZINC000898278108 1033425217 /nfs/dbraw/zinc/42/52/17/1033425217.db2.gz BKWVIEONJFACHR-UHFFFAOYSA-N 0 3 337.423 3.506 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2csc3c2CC[C@@H](C)C3)CC1 ZINC000106037248 1033529267 /nfs/dbraw/zinc/52/92/67/1033529267.db2.gz UJJQMEBOOUHNGN-CQSZACIVSA-N 0 3 332.513 3.643 20 30 EHEDHN C[C@@H]1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)C(=O)N1c1ccccc1 ZINC000594929598 1033551655 /nfs/dbraw/zinc/55/16/55/1033551655.db2.gz KXKXZKSHXYKARE-OXQOHEQNSA-N 0 3 345.446 3.525 20 30 EHEDHN N#CC(C(=O)[C@H]1C[C@]12CCc1ccccc12)c1nc2ccccc2[nH]1 ZINC000173903546 1033614135 /nfs/dbraw/zinc/61/41/35/1033614135.db2.gz GZIZFBWBWAIUFS-NVAPDCRFSA-N 0 3 327.387 3.643 20 30 EHEDHN N#Cc1ccc(CCNc2nc3cccc(Br)c3[nH]2)cc1 ZINC001167679211 1033779814 /nfs/dbraw/zinc/77/98/14/1033779814.db2.gz MLOPJQVXXPWRMQ-UHFFFAOYSA-N 0 3 341.212 3.852 20 30 EHEDHN Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1C#N ZINC000599316157 1033868960 /nfs/dbraw/zinc/86/89/60/1033868960.db2.gz LHGRNKHSZRJMHP-IBGZPJMESA-N 0 3 347.462 3.509 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595603351 1033917991 /nfs/dbraw/zinc/91/79/91/1033917991.db2.gz MKGKGOFHZYENPQ-CJNGLKHVSA-N 0 3 342.399 3.869 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857050 1034011588 /nfs/dbraw/zinc/01/15/88/1034011588.db2.gz IGDICRPCZAHJDY-PUERQQPESA-N 0 3 325.456 3.585 20 30 EHEDHN Cc1cc(NC[C@@H](c2cccs2)N(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596053651 1034055440 /nfs/dbraw/zinc/05/54/40/1034055440.db2.gz GHUHMFZVPQELDK-AWEZNQCLSA-N 0 3 330.413 3.551 20 30 EHEDHN C[C@@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)CCN1Cc1ccccc1 ZINC000596153029 1034095658 /nfs/dbraw/zinc/09/56/58/1034095658.db2.gz MNDGZQFDBNWFIN-OCCSQVGLSA-N 0 3 346.887 3.555 20 30 EHEDHN COCCOc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377828 1034115166 /nfs/dbraw/zinc/11/51/66/1034115166.db2.gz VEVSTGWSWDAGHF-HNNXBMFYSA-N 0 3 342.420 3.536 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000255710724 1034247761 /nfs/dbraw/zinc/24/77/61/1034247761.db2.gz JSCVJCORUAQARI-GAASDFDMSA-N 0 3 326.440 3.699 20 30 EHEDHN N#CC1(CC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCCCC1 ZINC000596728724 1034364776 /nfs/dbraw/zinc/36/47/76/1034364776.db2.gz HAAQOMZOPUZLDE-LJQANCHMSA-N 0 3 339.483 3.804 20 30 EHEDHN CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCN(C)C1 ZINC000596734043 1034369235 /nfs/dbraw/zinc/36/92/35/1034369235.db2.gz WNWRYPNDGJHIHF-LSDHHAIUSA-N 0 3 346.500 3.639 20 30 EHEDHN Cc1cc(Br)ccc1CNCc1ccc(OCC#N)cc1 ZINC000177096184 1034480561 /nfs/dbraw/zinc/48/05/61/1034480561.db2.gz RLOSLNRZIOOOFP-UHFFFAOYSA-N 0 3 345.240 3.950 20 30 EHEDHN CCN(CC)[C@@H](C/N=C\c1cc(OC)ccc1O)c1ccsc1 ZINC000255831978 1034497001 /nfs/dbraw/zinc/49/70/01/1034497001.db2.gz LKTIVCZHRQPJJR-BEWREHSGSA-N 0 3 332.469 3.964 20 30 EHEDHN N#CC1(c2ccc(CN[C@@H](c3ccncc3)C3(CO)CCC3)cc2)CC1 ZINC000597254084 1034626907 /nfs/dbraw/zinc/62/69/07/1034626907.db2.gz HSBYUIRMBUSZTK-FQEVSTJZSA-N 0 3 347.462 3.630 20 30 EHEDHN C[C@H]1C[C@@H](NC(=O)CC2(C#N)CCCCC2)CN1Cc1ccccc1 ZINC000597371131 1034723571 /nfs/dbraw/zinc/72/35/71/1034723571.db2.gz BEOPBMFCZITSCV-PKOBYXMFSA-N 0 3 339.483 3.630 20 30 EHEDHN C=CCCCN(C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000605738791 1034821411 /nfs/dbraw/zinc/82/14/11/1034821411.db2.gz XOTQSTJPGVPJHC-OAQYLSRUSA-N 0 3 336.479 3.985 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ncc(C#N)cc2Cl)C1 ZINC000450812049 1034822538 /nfs/dbraw/zinc/82/25/38/1034822538.db2.gz PHGUVVOVUUNZFA-HNNXBMFYSA-N 0 3 340.858 3.565 20 30 EHEDHN CC1(C)CC[C@H](CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)OC1 ZINC000892489501 1034841514 /nfs/dbraw/zinc/84/15/14/1034841514.db2.gz KYCFHBJRYGZULB-CHWSQXEVSA-N 0 3 348.830 3.583 20 30 EHEDHN C=CCCCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000605963525 1034860665 /nfs/dbraw/zinc/86/06/65/1034860665.db2.gz FOPRWCWUMKDSGC-IBGZPJMESA-N 0 3 329.488 3.740 20 30 EHEDHN CCCC[C@H](CC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000463587777 1035674921 /nfs/dbraw/zinc/67/49/21/1035674921.db2.gz UDNGURNBMHRDGC-IBGZPJMESA-N 0 3 329.488 3.665 20 30 EHEDHN C[C@H](NC[C@@H](CO)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000588232665 1035833246 /nfs/dbraw/zinc/83/32/46/1035833246.db2.gz VLGQXLWRPNGIFR-WFASDCNBSA-N 0 3 332.806 3.777 20 30 EHEDHN Cc1cccc2c1OCC[C@H]2NCc1ccc(N(C)CCC#N)cc1 ZINC000188877861 1035991325 /nfs/dbraw/zinc/99/13/25/1035991325.db2.gz VHYLHXPAYCXZNS-HXUWFJFHSA-N 0 3 335.451 3.958 20 30 EHEDHN CC[C@H](N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(C#N)cc1 ZINC000414313633 1036610938 /nfs/dbraw/zinc/61/09/38/1036610938.db2.gz KMEOAEMHNLTQPF-RBUKOAKNSA-N 0 3 337.398 3.544 20 30 EHEDHN CCC[C@@H](CN1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000539406672 1036722211 /nfs/dbraw/zinc/72/22/11/1036722211.db2.gz BAQYJQOYRKTCNB-FQEVSTJZSA-N 0 3 334.467 3.659 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](CSc2ccccc2)C1 ZINC000464776780 1036770082 /nfs/dbraw/zinc/77/00/82/1036770082.db2.gz SOWNZYYVOACODO-MSOLQXFVSA-N 0 3 346.540 3.914 20 30 EHEDHN COc1cc(OC)c(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c(OC)c1 ZINC000590153458 1036777487 /nfs/dbraw/zinc/77/74/87/1036777487.db2.gz YSXOPSFYVKFZMZ-GDBMZVCRSA-N 0 3 344.455 3.584 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000171560340 1036797573 /nfs/dbraw/zinc/79/75/73/1036797573.db2.gz BQPOQGAHLYOWHS-LJQANCHMSA-N 0 3 345.462 3.713 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464793198 1036805793 /nfs/dbraw/zinc/80/57/93/1036805793.db2.gz YGSWGKFBQKABOL-LJQANCHMSA-N 0 3 334.479 3.749 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464793197 1036807040 /nfs/dbraw/zinc/80/70/40/1036807040.db2.gz YGSWGKFBQKABOL-IBGZPJMESA-N 0 3 334.479 3.749 20 30 EHEDHN CCCC(C)(C)N(CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccs1 ZINC000549077932 1037040496 /nfs/dbraw/zinc/04/04/96/1037040496.db2.gz JRJVGDCJCVMEPM-LJQANCHMSA-N 0 3 347.528 3.937 20 30 EHEDHN COc1cc(OC)c(C2CCN([C@H](C)CCC#N)CC2)c(OC)c1 ZINC000591010953 1037186786 /nfs/dbraw/zinc/18/67/86/1037186786.db2.gz KSJRXFLSRDCBOB-CQSZACIVSA-N 0 3 332.444 3.584 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CCOC3)n1 ZINC000659114810 1037258441 /nfs/dbraw/zinc/25/84/41/1037258441.db2.gz HJKACGAVMRLSON-OAHLLOKOSA-N 0 3 326.421 3.829 20 30 EHEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000187934239 1037881204 /nfs/dbraw/zinc/88/12/04/1037881204.db2.gz ROPMEPXHEAXMHU-NRFANRHFSA-N 0 3 328.500 3.756 20 30 EHEDHN C#CCSCCNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000152940353 1037896264 /nfs/dbraw/zinc/89/62/64/1037896264.db2.gz HKWKPMJSBARLIK-UHFFFAOYSA-N 0 3 346.883 3.770 20 30 EHEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OC[C@H]2CCCO2)c1 ZINC000463242421 1037927245 /nfs/dbraw/zinc/92/72/45/1037927245.db2.gz MAFACOGPGJHMOL-BHIYHBOVSA-N 0 3 328.456 3.725 20 30 EHEDHN COc1ccc([C@@H](CNc2ccc(C#N)cn2)N2CCCCC2)cc1 ZINC000058482214 1037987097 /nfs/dbraw/zinc/98/70/97/1037987097.db2.gz YLNRMAKFTQVPJT-LJQANCHMSA-N 0 3 336.439 3.601 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1cccs1 ZINC000539278019 1038752282 /nfs/dbraw/zinc/75/22/82/1038752282.db2.gz ZTVYOHVCACACHY-RDTXWAMCSA-N 0 3 335.517 3.823 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccccc1C)C(C)(C)C ZINC000539292984 1038762476 /nfs/dbraw/zinc/76/24/76/1038762476.db2.gz UREAHOBDWUQOQN-HNAYVOBHSA-N 0 3 329.488 3.680 20 30 EHEDHN Cc1ccc2ncc(C#N)c(N(C)CCCN(C)Cc3ccco3)c2c1 ZINC000488054593 1038826305 /nfs/dbraw/zinc/82/63/05/1038826305.db2.gz QEERHPUSNXYRPI-UHFFFAOYSA-N 0 3 348.450 3.966 20 30 EHEDHN C=CC[C@@H](C(=O)NC[C@@H](C)N(C)Cc1ccccc1)c1ccccc1 ZINC000488381038 1039134303 /nfs/dbraw/zinc/13/43/03/1039134303.db2.gz RLUGQBHZEGRRNX-WIYYLYMNSA-N 0 3 336.479 3.983 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(C(CC)CC)c2CC)CC1 ZINC000480149514 1039228319 /nfs/dbraw/zinc/22/83/19/1039228319.db2.gz TZUQWLKYSZODGS-UHFFFAOYSA-N 0 3 346.519 3.577 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)o1 ZINC000478236662 1039326138 /nfs/dbraw/zinc/32/61/38/1039326138.db2.gz UNJMGEPFJBLJHJ-LLVKDONJSA-N 0 3 336.222 3.827 20 30 EHEDHN N#Cc1ccc(NC(=O)CCNC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000553007747 1039701238 /nfs/dbraw/zinc/70/12/38/1039701238.db2.gz QTSCCIRXCNFKTF-UHFFFAOYSA-N 0 3 339.826 3.819 20 30 EHEDHN CN(C)[C@H]1CCOc2c(Nc3cc(C#N)ccc3[N+](=O)[O-])cccc21 ZINC000432936118 1040215837 /nfs/dbraw/zinc/21/58/37/1040215837.db2.gz HELKHYPOCWISGH-INIZCTEOSA-N 0 3 338.367 3.595 20 30 EHEDHN CCN(CC)c1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cn1 ZINC000236927966 1040231767 /nfs/dbraw/zinc/23/17/67/1040231767.db2.gz REIRNQMZIQAQBA-INIZCTEOSA-N 0 3 338.455 3.508 20 30 EHEDHN Cc1ccc2nc(CN[C@@H](CCCC#N)c3ccccc3)cc(=O)n2c1 ZINC000433009368 1040438239 /nfs/dbraw/zinc/43/82/39/1040438239.db2.gz HHBOVWNXAWEZNF-IBGZPJMESA-N 0 3 346.434 3.528 20 30 EHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000553863078 1040538538 /nfs/dbraw/zinc/53/85/38/1040538538.db2.gz MTGUPIJNANDNKG-FQEVSTJZSA-N 0 3 340.854 3.803 20 30 EHEDHN N#Cc1ccccc1CN1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235849 1040791750 /nfs/dbraw/zinc/79/17/50/1040791750.db2.gz KUKORXJRHMYZNQ-KRWDZBQOSA-N 0 3 330.435 3.820 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc([S@@](C)=O)cc2)cc1Cl ZINC000080344766 1040928610 /nfs/dbraw/zinc/92/86/10/1040928610.db2.gz YWSMSOHZACOZRB-QHCPKHFHSA-N 0 3 349.883 3.932 20 30 EHEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1-n1ccnn1 ZINC000586794332 1041029067 /nfs/dbraw/zinc/02/90/67/1041029067.db2.gz ZSVBVVQKJQFEJJ-ZDUSSCGKSA-N 0 3 337.814 3.643 20 30 EHEDHN CC(C)[C@H]1CCc2ccccc2[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000570929040 1041135076 /nfs/dbraw/zinc/13/50/76/1041135076.db2.gz ZYWYVFJLKABJKS-QUCCMNQESA-N 0 3 345.450 3.650 20 30 EHEDHN CCC[C@H]1CCC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC001125943358 1041244565 /nfs/dbraw/zinc/24/45/65/1041244565.db2.gz YPLJSILWIDQSFV-VQTJNVASSA-N 0 3 341.499 3.665 20 30 EHEDHN Cc1nc2c(s1)[C@H](N(C)CCOc1ccc(C#N)cc1)CCC2 ZINC000111312205 1041546749 /nfs/dbraw/zinc/54/67/49/1041546749.db2.gz XQNBXXRDKVGKKR-QGZVFWFLSA-N 0 3 327.453 3.711 20 30 EHEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CCC(F)(F)C1 ZINC000313251279 1041856688 /nfs/dbraw/zinc/85/66/88/1041856688.db2.gz XJWGMIILZBEOLM-CYBMUJFWSA-N 0 3 344.199 3.739 20 30 EHEDHN C=CCOCCN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000549543437 1042060920 /nfs/dbraw/zinc/06/09/20/1042060920.db2.gz KDXSFWZLENRWOE-IBGZPJMESA-N 0 3 339.414 3.709 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn2cc(Br)ccc2n1 ZINC000662078776 1042499043 /nfs/dbraw/zinc/49/90/43/1042499043.db2.gz GFGUTFXYYMFXFZ-GASCZTMLSA-N 0 3 332.245 3.780 20 30 EHEDHN CC1(C)CC[C@@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc21 ZINC000093899862 1042588171 /nfs/dbraw/zinc/58/81/71/1042588171.db2.gz FGGRRKSPKQCFKA-PXNSSMCTSA-N 0 3 347.462 3.529 20 30 EHEDHN C=CCOc1c(Cl)cc(CN2CC[C@H](CCCO)C2)cc1OC ZINC000628304014 1042596101 /nfs/dbraw/zinc/59/61/01/1042596101.db2.gz AYWBOZLAIUONKJ-AWEZNQCLSA-N 0 3 339.863 3.508 20 30 EHEDHN N#Cc1ccncc1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000094159303 1042857653 /nfs/dbraw/zinc/85/76/53/1042857653.db2.gz BTBJWUDXOANPTR-MRXNPFEDSA-N 0 3 346.356 3.658 20 30 EHEDHN CCCCNC(=O)C1(NCc2c(C)cc(C#N)cc2C)CCCCC1 ZINC001167829301 1042982862 /nfs/dbraw/zinc/98/28/62/1042982862.db2.gz LACUXJQKEGIGBV-UHFFFAOYSA-N 0 3 341.499 3.884 20 30 EHEDHN N#Cc1ccc(CNCCCOc2cccc3cccnc32)c(F)c1 ZINC000344214461 1043440554 /nfs/dbraw/zinc/44/05/54/1043440554.db2.gz GPMAFPNRSZXGET-UHFFFAOYSA-N 0 3 335.382 3.804 20 30 EHEDHN C=CCc1cc(CN[C@H](c2cnn(C)c2)C(C)(C)C)cc(OC)c1O ZINC000344853265 1044532088 /nfs/dbraw/zinc/53/20/88/1044532088.db2.gz WZIYCBBLGPSONM-LJQANCHMSA-N 0 3 343.471 3.740 20 30 EHEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN(C)Cc1ccccc1C ZINC000131015419 1125586119 /nfs/dbraw/zinc/58/61/19/1125586119.db2.gz ZXYXYXBLEZKCMU-UHFFFAOYSA-N 0 3 331.423 3.523 20 30 EHEDHN CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1OC ZINC000183603531 1125616763 /nfs/dbraw/zinc/61/67/63/1125616763.db2.gz QDNZZJXVKSTNGB-GDBMZVCRSA-N 0 3 340.423 3.933 20 30 EHEDHN C=C(CNCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000620757847 1125697776 /nfs/dbraw/zinc/69/77/76/1125697776.db2.gz QYKUYVDCXKHRAZ-UHFFFAOYSA-N 0 3 346.224 3.981 20 30 EHEDHN C#CCN(C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C)C1CC1 ZINC000763948627 1126952745 /nfs/dbraw/zinc/95/27/45/1126952745.db2.gz CGSKNXVIWIIILB-GGAORHGYSA-N 0 3 349.474 3.560 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OC)c(F)c2)c1 ZINC000073012450 1126975489 /nfs/dbraw/zinc/97/54/89/1126975489.db2.gz XUYYLGZPMDLDNZ-INIZCTEOSA-N 0 3 328.387 3.805 20 30 EHEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179763346 1127087441 /nfs/dbraw/zinc/08/74/41/1127087441.db2.gz ZPXPNWIOCJDBCK-OAHLLOKOSA-N 0 3 336.410 3.877 20 30 EHEDHN C=CCOc1c(Cl)cc(CN[C@H]2CO[C@H](C3CC3)C2)cc1OC ZINC000623753839 1127117760 /nfs/dbraw/zinc/11/77/60/1127117760.db2.gz FEORMBJQDAGZEN-ZBFHGGJFSA-N 0 3 337.847 3.571 20 30 EHEDHN N#CCOc1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000734488015 1131240779 /nfs/dbraw/zinc/24/07/79/1131240779.db2.gz MELXISSXOSDRNL-UHFFFAOYSA-N 0 3 340.398 3.771 20 30 EHEDHN CC[C@@H]1CN(C)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000552400393 1127753565 /nfs/dbraw/zinc/75/35/65/1127753565.db2.gz LMEXQYPTXNNPQN-OAQYLSRUSA-N 0 3 349.478 3.663 20 30 EHEDHN N#Cc1ccc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)nc1 ZINC000301094840 1128573015 /nfs/dbraw/zinc/57/30/15/1128573015.db2.gz QJZZPUDZFQQRSS-QGZVFWFLSA-N 0 3 326.831 3.856 20 30 EHEDHN N#Cc1ccc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)nc1 ZINC000301094838 1128573072 /nfs/dbraw/zinc/57/30/72/1128573072.db2.gz QJZZPUDZFQQRSS-KRWDZBQOSA-N 0 3 326.831 3.856 20 30 EHEDHN CN(C)[C@@H](CNc1ccc2cc(C#N)ccc2n1)c1ccc(F)cc1 ZINC000301817152 1128606872 /nfs/dbraw/zinc/60/68/72/1128606872.db2.gz JZEBOCKLWSFSOJ-IBGZPJMESA-N 0 3 334.398 3.960 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(Cc1ccc(F)cc1)C1CC1 ZINC000303895546 1128705993 /nfs/dbraw/zinc/70/59/93/1128705993.db2.gz SFGPRUIHEVTOKK-UHFFFAOYSA-N 0 3 340.398 3.749 20 30 EHEDHN N#Cc1ccc(OCCN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554846609 1128716350 /nfs/dbraw/zinc/71/63/50/1128716350.db2.gz DKJUCUZSPDGUOE-MRXNPFEDSA-N 0 3 338.373 3.992 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000305748719 1128781385 /nfs/dbraw/zinc/78/13/85/1128781385.db2.gz XJGYHQPRAJIXNK-DLBZAZTESA-N 0 3 342.464 3.716 20 30 EHEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000185374081 1120412018 /nfs/dbraw/zinc/41/20/18/1120412018.db2.gz CNVDNXXCWRYAOT-INIZCTEOSA-N 0 3 332.513 3.819 20 30 EHEDHN COc1ccccc1NC(=O)C[C@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000272185715 1120523921 /nfs/dbraw/zinc/52/39/21/1120523921.db2.gz GMEFFFMPPDAMQR-HNNXBMFYSA-N 0 3 349.434 3.563 20 30 EHEDHN Cc1noc(C)c1[C@H](C)CNCc1cc(C#N)ccc1Br ZINC000921924400 1128923821 /nfs/dbraw/zinc/92/38/21/1128923821.db2.gz JUVMDLOXHBCMAA-SNVBAGLBSA-N 0 3 348.244 3.819 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000171605883 1120559234 /nfs/dbraw/zinc/55/92/34/1120559234.db2.gz CFWMNJQLCHIMPI-SFTDATJTSA-N 0 3 334.463 3.710 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cc(C)oc2C)cc1Cl ZINC000130289079 1120635753 /nfs/dbraw/zinc/63/57/53/1120635753.db2.gz ZFNBQQWGSAVRFP-ZDUSSCGKSA-N 0 3 346.770 3.520 20 30 EHEDHN C=CC[C@H](C(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC000494905466 1120901486 /nfs/dbraw/zinc/90/14/86/1120901486.db2.gz UNRICEXVQLZLQW-RTWAWAEBSA-N 0 3 336.479 3.635 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCOc2ccc(F)cc2)c([O-])c1 ZINC000914599642 1120921379 /nfs/dbraw/zinc/92/13/79/1120921379.db2.gz JRTRZUWFROJRBM-STZFKDTASA-N 0 3 330.403 3.875 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)c2c(F)cccc2F)c1 ZINC000153288583 1120937310 /nfs/dbraw/zinc/93/73/10/1120937310.db2.gz VSMQFWKQPPAOKI-OCCSQVGLSA-N 0 3 342.345 3.724 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 ZINC000171640610 1121101775 /nfs/dbraw/zinc/10/17/75/1121101775.db2.gz PPAWMMCLJFDDSQ-UHFFFAOYSA-N 0 3 345.340 3.616 20 30 EHEDHN C#Cc1cccc(NC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)c1 ZINC000915340215 1121346496 /nfs/dbraw/zinc/34/64/96/1121346496.db2.gz NYKOOZWHJDQIBN-FQEVSTJZSA-N 0 3 335.451 3.655 20 30 EHEDHN C#Cc1cccc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000915339014 1121346796 /nfs/dbraw/zinc/34/67/96/1121346796.db2.gz ALKRITRRNYUOKO-UHFFFAOYSA-N 0 3 347.462 3.626 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](SCc2ccccc2)C(C)C)CC1 ZINC000171715410 1121507992 /nfs/dbraw/zinc/50/79/92/1121507992.db2.gz WJNNORWMLFJELY-LJQANCHMSA-N 0 3 346.540 3.711 20 30 EHEDHN C=CCN(CCc1nc(-c2ccccc2)no1)Cc1cccc(C#N)c1 ZINC000077272242 1129006121 /nfs/dbraw/zinc/00/61/21/1129006121.db2.gz ZIOAEFGUAWSHOC-UHFFFAOYSA-N 0 3 344.418 3.839 20 30 EHEDHN C=C(C)CN(CC)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000125965684 1122368502 /nfs/dbraw/zinc/36/85/02/1122368502.db2.gz OATDGBKUOBYSLU-CQSZACIVSA-N 0 3 331.485 3.541 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)CC1 ZINC000154274470 1122490151 /nfs/dbraw/zinc/49/01/51/1122490151.db2.gz NEQHZONAHTTXEE-NRFANRHFSA-N 0 3 338.495 3.769 20 30 EHEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917125185 1122518064 /nfs/dbraw/zinc/51/80/64/1122518064.db2.gz TVKULGUAYONWQX-AWEZNQCLSA-N 0 3 327.453 3.737 20 30 EHEDHN C=CCN1CC[C@@H](N[C@@H](c2ccc(Cl)cc2)C2CCCC2)C1=O ZINC000499598857 1129064022 /nfs/dbraw/zinc/06/40/22/1129064022.db2.gz BIEICPYVRYXRIJ-QZTJIDSGSA-N 0 3 332.875 3.948 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2csc(-c3ccccc3)n2)CC1 ZINC000672830169 1129082517 /nfs/dbraw/zinc/08/25/17/1129082517.db2.gz JILPIPFXHGXCQE-UHFFFAOYSA-N 0 3 342.468 3.582 20 30 EHEDHN N#Cc1cnn2cc(CN[C@@H](c3ccccc3)C3CCCC3)cnc12 ZINC000556224846 1122880643 /nfs/dbraw/zinc/88/06/43/1122880643.db2.gz QIETUJGYIXJPTG-IBGZPJMESA-N 0 3 331.423 3.622 20 30 EHEDHN C[C@@H]1CCC[C@@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000498380101 1122897951 /nfs/dbraw/zinc/89/79/51/1122897951.db2.gz AUTZJQKOXCZSPX-YLJYHZDGSA-N 0 3 341.499 3.665 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCSC(C)(C)C)c1 ZINC000155115848 1123196971 /nfs/dbraw/zinc/19/69/71/1123196971.db2.gz APLOEEYIIBSFOQ-OAHLLOKOSA-N 0 3 332.469 3.954 20 30 EHEDHN CC[C@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168524939 1123215304 /nfs/dbraw/zinc/21/53/04/1123215304.db2.gz QEHCRVCDCHRBPA-AGIUHOORSA-N 0 3 349.397 3.599 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccoc2)C2CCCCC2)CC1 ZINC000074132364 1123254312 /nfs/dbraw/zinc/25/43/12/1123254312.db2.gz WNXVLINRHOMCHS-UHFFFAOYSA-N 0 3 345.487 3.774 20 30 EHEDHN CC(C)[C@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000920419345 1123366809 /nfs/dbraw/zinc/36/68/09/1123366809.db2.gz ZCOLNTDDKQGAEO-UKRRQHHQSA-N 0 3 327.453 3.593 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000921260882 1123500858 /nfs/dbraw/zinc/50/08/58/1123500858.db2.gz HPCSQRPTDRCUMB-UYRXBGFRSA-N 0 3 327.384 3.766 20 30 EHEDHN C=C(C)COCCNCc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000134501131 1123528546 /nfs/dbraw/zinc/52/85/46/1123528546.db2.gz GHXWVTFHUVYOSL-UHFFFAOYSA-N 0 3 347.890 3.884 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000609358388 1123561566 /nfs/dbraw/zinc/56/15/66/1123561566.db2.gz GEWMUMYNBKWUNY-INIZCTEOSA-N 0 3 329.488 3.643 20 30 EHEDHN N#Cc1cccc(NC[C@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000609893607 1123688484 /nfs/dbraw/zinc/68/84/84/1123688484.db2.gz ZXYDVHPXJYKHBH-QGZVFWFLSA-N 0 3 326.831 3.856 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000610141079 1123734746 /nfs/dbraw/zinc/73/47/46/1123734746.db2.gz RSWYZOHKQCSDOU-QGZVFWFLSA-N 0 3 348.450 3.687 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000246157708 1124034629 /nfs/dbraw/zinc/03/46/29/1124034629.db2.gz IHVXXIFLBJQLEJ-IKGGRYGDSA-N 0 3 343.446 3.583 20 30 EHEDHN N#Cc1ccc(Br)c(CNC[C@H]2CCCC2(F)F)c1 ZINC000922159016 1129177268 /nfs/dbraw/zinc/17/72/68/1129177268.db2.gz LVBYIDQSHJDWFJ-GFCCVEGCSA-N 0 3 329.188 3.846 20 30 EHEDHN C#CCOc1ccccc1CNC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000734849022 1131286843 /nfs/dbraw/zinc/28/68/43/1131286843.db2.gz SUXRGJRQRXPVNA-HXUWFJFHSA-N 0 3 337.463 3.819 20 30 EHEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000182017160 1125118030 /nfs/dbraw/zinc/11/80/30/1125118030.db2.gz OCTWZUDIIJLMBD-OAHLLOKOSA-N 0 3 336.826 3.623 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(OCC(F)F)cc1 ZINC000618742140 1125179873 /nfs/dbraw/zinc/17/98/73/1125179873.db2.gz RPMJRIQDVZXDEN-SFHVURJKSA-N 0 3 328.362 3.979 20 30 EHEDHN Cn1cc([C@H](NCC2CCC(C#N)CC2)c2cccc(F)c2)cn1 ZINC000619673615 1125379851 /nfs/dbraw/zinc/37/98/51/1125379851.db2.gz HYKMXZWLVQFVAG-JFIBYHEFSA-N 0 3 326.419 3.568 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000619755713 1125395429 /nfs/dbraw/zinc/39/54/29/1125395429.db2.gz QDCDXTFMGVRXBI-GFCCVEGCSA-N 0 3 328.799 3.834 20 30 EHEDHN COc1cc(C)c(CNCc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619749030 1125401144 /nfs/dbraw/zinc/40/11/44/1125401144.db2.gz XDZPSDGNYASSLV-UHFFFAOYSA-N 0 3 330.815 3.827 20 30 EHEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000682993776 1129257293 /nfs/dbraw/zinc/25/72/93/1129257293.db2.gz AJUSTJLQPDXFEQ-INIZCTEOSA-N 0 3 331.375 3.907 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000466367590 1129406401 /nfs/dbraw/zinc/40/64/01/1129406401.db2.gz WZNQHPCFKSPQEY-IEBWSBKVSA-N 0 3 329.488 3.647 20 30 EHEDHN N#Cc1cccc(C2(NCc3ccc4c(c3)CCCO4)CCOCC2)c1 ZINC000922256322 1129407301 /nfs/dbraw/zinc/40/73/01/1129407301.db2.gz ZVYGRKAEWIVINB-UHFFFAOYSA-N 0 3 348.446 3.679 20 30 EHEDHN CC(C)C[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000123848862 1129558072 /nfs/dbraw/zinc/55/80/72/1129558072.db2.gz WQFJTJYYVOVXOB-MRXNPFEDSA-N 0 3 327.453 3.935 20 30 EHEDHN CCN(CC)C(=O)[C@H](NCC1CCC(C#N)CC1)c1ccccc1 ZINC000282429314 1129791101 /nfs/dbraw/zinc/79/11/01/1129791101.db2.gz MOYOXBUKXLZTEF-FAFZWHIHSA-N 0 3 327.472 3.516 20 30 EHEDHN Cc1cc(Br)cc(C[NH2+]CC2CCC(C#N)CC2)c1[O-] ZINC000282438970 1129831882 /nfs/dbraw/zinc/83/18/82/1129831882.db2.gz UIWYDUWBCBYWKQ-UHFFFAOYSA-N 0 3 337.261 3.883 20 30 EHEDHN C[C@H](C1CC1)N(CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000029841587 1129903239 /nfs/dbraw/zinc/90/32/39/1129903239.db2.gz WKLXJGVWENPRHU-MRXNPFEDSA-N 0 3 333.435 3.797 20 30 EHEDHN FC(F)(F)c1ncccc1CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000625512299 1129912912 /nfs/dbraw/zinc/91/29/12/1129912912.db2.gz ZQXVXUSFYKZPMZ-UHFFFAOYSA-N 0 3 342.258 3.967 20 30 EHEDHN C=CCN1CCC(NC(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000171723645 1130082209 /nfs/dbraw/zinc/08/22/09/1130082209.db2.gz AFYFZNLQJOTTRT-UHFFFAOYSA-N 0 3 328.500 3.683 20 30 EHEDHN C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@H]1c1ccccc1 ZINC000245724862 1130309680 /nfs/dbraw/zinc/30/96/80/1130309680.db2.gz IPLCZEWRMYERGP-OXQOHEQNSA-N 0 3 330.435 3.832 20 30 EHEDHN Cc1nc(CC(=O)C(C#N)c2nc3cc(F)ccc3s2)cs1 ZINC000730416074 1130707186 /nfs/dbraw/zinc/70/71/86/1130707186.db2.gz AAFZBZWYGCXLMW-NSHDSACASA-N 0 3 331.397 3.619 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000731213904 1130777650 /nfs/dbraw/zinc/77/76/50/1130777650.db2.gz CVVXDKBSYFSRRC-SFHVURJKSA-N 0 3 336.391 3.655 20 30 EHEDHN C=CCc1cc(OC)cc(CN(C)Cc2cccc(OC)c2)c1O ZINC000732427979 1130923043 /nfs/dbraw/zinc/92/30/43/1130923043.db2.gz OXNNDKFOFCLEJN-UHFFFAOYSA-N 0 3 327.424 3.770 20 30 EHEDHN C#CCCOc1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1 ZINC000733327991 1131026146 /nfs/dbraw/zinc/02/61/46/1131026146.db2.gz HZECQSLRZYXYDQ-UHFFFAOYSA-N 0 3 336.435 3.596 20 30 EHEDHN C#CCOc1ccc(CNCc2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000733327529 1131026888 /nfs/dbraw/zinc/02/68/88/1131026888.db2.gz UNPWPOBXXGPTES-UHFFFAOYSA-N 0 3 345.826 3.659 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000739142720 1131493321 /nfs/dbraw/zinc/49/33/21/1131493321.db2.gz DUERSKCBWMNWQU-QAPCUYQASA-N 0 3 328.456 3.758 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccsc1 ZINC000739155742 1131493621 /nfs/dbraw/zinc/49/36/21/1131493621.db2.gz UQLVLXGFWVLSIM-PWSUYJOCSA-N 0 3 332.812 3.853 20 30 EHEDHN C[C@@H]1CCC[C@@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000741793827 1131649559 /nfs/dbraw/zinc/64/95/59/1131649559.db2.gz ACZVWPADXAPYII-KFWWJZLASA-N 0 3 341.480 3.983 20 30 EHEDHN COc1ccc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)cc1C#N ZINC000742366114 1131709923 /nfs/dbraw/zinc/70/99/23/1131709923.db2.gz KSYSYCPNIMIULS-OAHLLOKOSA-N 0 3 332.407 3.603 20 30 EHEDHN CC(C)(C)OC(=O)NC1(CNCc2ccc(C#N)o2)CCCCCC1 ZINC000742369541 1131716440 /nfs/dbraw/zinc/71/64/40/1131716440.db2.gz JUNAORMNDSBMGT-UHFFFAOYSA-N 0 3 347.459 3.859 20 30 EHEDHN C=CCc1cc(CNCc2ccc(COC)cc2)cc(OC)c1OC ZINC000742370384 1131717018 /nfs/dbraw/zinc/71/70/18/1131717018.db2.gz PMPYBCBWXWYRRG-UHFFFAOYSA-N 0 3 341.451 3.869 20 30 EHEDHN C[C@@H](CCCC#N)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001172492225 1131757376 /nfs/dbraw/zinc/75/73/76/1131757376.db2.gz JPIOWMWMZCNONM-AWEZNQCLSA-N 0 3 325.378 3.910 20 30 EHEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000744028948 1132006593 /nfs/dbraw/zinc/00/65/93/1132006593.db2.gz PEJWCRJHHRBCGG-NWDGAFQWSA-N 0 3 330.771 3.693 20 30 EHEDHN C=CC[C@H]1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC001174891596 1132496433 /nfs/dbraw/zinc/49/64/33/1132496433.db2.gz UGLBEHNDYYQZGS-SFHVURJKSA-N 0 3 341.499 3.904 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CCCC1 ZINC000746387173 1132506118 /nfs/dbraw/zinc/50/61/18/1132506118.db2.gz GWJAXYIMEXUVAA-AWEZNQCLSA-N 0 3 327.453 3.595 20 30 EHEDHN N#Cc1cccc(OCCCN2CCc3cc(F)c(F)cc3C2)c1 ZINC001175742060 1132750525 /nfs/dbraw/zinc/75/05/25/1132750525.db2.gz SUPDVLFRXULFPG-UHFFFAOYSA-N 0 3 328.362 3.664 20 30 EHEDHN CCN1CCN(c2ccc(Nc3c(C#N)ccc(F)c3F)cc2)CC1 ZINC001175782149 1132765224 /nfs/dbraw/zinc/76/52/24/1132765224.db2.gz OMAGAPFJSBKYNI-UHFFFAOYSA-N 0 3 342.393 3.722 20 30 EHEDHN CC(C)[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000103330710 1132825396 /nfs/dbraw/zinc/82/53/96/1132825396.db2.gz MRGBYMWSRKZCMG-ROUUACIJSA-N 0 3 326.440 3.584 20 30 EHEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001176372980 1132924879 /nfs/dbraw/zinc/92/48/79/1132924879.db2.gz KVOAMJZQVWKMEK-KRWDZBQOSA-N 0 3 347.890 3.670 20 30 EHEDHN CC(C)P(CCNC(=O)C#Cc1ccc(F)cc1F)C(C)C ZINC001178574570 1133183414 /nfs/dbraw/zinc/18/34/14/1133183414.db2.gz SFPVVDBFNSXVMC-UHFFFAOYSA-N 0 3 325.339 3.731 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cc(OCC)ccc1O ZINC000768938039 1133206469 /nfs/dbraw/zinc/20/64/69/1133206469.db2.gz UFKNCWYSNZHLSI-UHFFFAOYSA-N 0 3 327.424 3.988 20 30 EHEDHN C=CCOc1c(Cl)cc(CN[C@@H]2C[C@]2(C)OCC)cc1OC ZINC001179194147 1133236859 /nfs/dbraw/zinc/23/68/59/1133236859.db2.gz QAAPSFUBKDTBGO-WBVHZDCISA-N 0 3 325.836 3.571 20 30 EHEDHN C=CCOc1cccc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000769400968 1133276192 /nfs/dbraw/zinc/27/61/92/1133276192.db2.gz BOSCQFUJBPKPIN-HNNXBMFYSA-N 0 3 334.460 3.596 20 30 EHEDHN Cc1nn(-c2ccncc2)cc1C=NNc1c(F)cccc1Cl ZINC000769826243 1133352769 /nfs/dbraw/zinc/35/27/69/1133352769.db2.gz BPQIJCJXPLAELW-UHFFFAOYSA-N 0 3 329.766 3.814 20 30 EHEDHN C[C@]1(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCCS1 ZINC001181373715 1133481680 /nfs/dbraw/zinc/48/16/80/1133481680.db2.gz QZALSJGMKGLNKM-QZTJIDSGSA-N 0 3 349.931 3.808 20 30 EHEDHN CSC=CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000771578872 1133573464 /nfs/dbraw/zinc/57/34/64/1133573464.db2.gz POPKXMRTUNZOAK-VUDBWIFFSA-N 0 3 329.208 3.517 20 30 EHEDHN C#CC1CCN(C(=O)[C@H](c2ccccc2)N(CC)CCCC)CC1 ZINC001182233550 1133594956 /nfs/dbraw/zinc/59/49/56/1133594956.db2.gz HVYRSDXQMIXJHT-FQEVSTJZSA-N 0 3 326.484 3.722 20 30 EHEDHN CCCCN(CC)[C@@H](C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 ZINC001182237921 1133605183 /nfs/dbraw/zinc/60/51/83/1133605183.db2.gz TWZFFLOIANREBO-RTBURBONSA-N 0 3 329.488 3.904 20 30 EHEDHN C=C(C)[C@H](CO)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000785964293 1133784432 /nfs/dbraw/zinc/78/44/32/1133784432.db2.gz HWYRJRZWTXMASK-NRFANRHFSA-N 0 3 337.463 3.574 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000787040648 1133942085 /nfs/dbraw/zinc/94/20/85/1133942085.db2.gz MDAJDMROSSFFFT-OIISXLGYSA-N 0 3 338.407 3.668 20 30 EHEDHN C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C(C)(C)C1 ZINC000746678379 1133996210 /nfs/dbraw/zinc/99/62/10/1133996210.db2.gz RCDFFOBEOXHMEC-OLZOCXBDSA-N 0 3 327.453 3.593 20 30 EHEDHN C#CCCOc1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000787769851 1134039374 /nfs/dbraw/zinc/03/93/74/1134039374.db2.gz LKWIAEQYSKJARS-OAQYLSRUSA-N 0 3 337.463 3.938 20 30 EHEDHN C#CCC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCCCC1 ZINC000788151383 1134088043 /nfs/dbraw/zinc/08/80/43/1134088043.db2.gz KJTMJSVRSVSGKG-FQEVSTJZSA-N 0 3 338.495 3.914 20 30 EHEDHN Cc1cc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)ccc1C#N ZINC000774879549 1134095604 /nfs/dbraw/zinc/09/56/04/1134095604.db2.gz CPXBLYMRGANHQD-NRFANRHFSA-N 0 3 338.426 3.951 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCOCc2ccccc2)c([O-])c1 ZINC000746815007 1134276996 /nfs/dbraw/zinc/27/69/96/1134276996.db2.gz DPAHLPYLXZZNOY-QNGOZBTKSA-N 0 3 326.440 3.874 20 30 EHEDHN C#C[C@H](C)N(C)Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000775185191 1134492594 /nfs/dbraw/zinc/49/25/94/1134492594.db2.gz YUWMORZVHCKKHZ-KRWDZBQOSA-N 0 3 333.435 3.675 20 30 EHEDHN O=C(Nc1cc(Cl)ccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001188978897 1134534206 /nfs/dbraw/zinc/53/42/06/1134534206.db2.gz XCRBDXAKWOZWTN-LBPRGKRZSA-N 0 3 343.235 3.799 20 30 EHEDHN COc1ccc(O)c([C@H](C)NCc2ccc(C#N)cc2OC(F)F)c1 ZINC000775362131 1134665608 /nfs/dbraw/zinc/66/56/08/1134665608.db2.gz GBSYWEFMPPMANG-NSHDSACASA-N 0 3 348.349 3.725 20 30 EHEDHN C=CC[N@@H+](CCOC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000792192861 1134666417 /nfs/dbraw/zinc/66/64/17/1134666417.db2.gz ONBNTZVJTKJZQE-UHFFFAOYSA-N 0 3 327.424 3.606 20 30 EHEDHN C=CC[N@H+](CCOC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000792192861 1134666419 /nfs/dbraw/zinc/66/64/19/1134666419.db2.gz ONBNTZVJTKJZQE-UHFFFAOYSA-N 0 3 327.424 3.606 20 30 EHEDHN C=CCN(CCOC)Cc1ccc(OCc2ccccc2)cc1O ZINC000792192861 1134666421 /nfs/dbraw/zinc/66/64/21/1134666421.db2.gz ONBNTZVJTKJZQE-UHFFFAOYSA-N 0 3 327.424 3.606 20 30 EHEDHN C#CC[C@H](NC[C@H](O)COc1c(C)ccc(C)c1C)c1ccccc1 ZINC000775399624 1134720854 /nfs/dbraw/zinc/72/08/54/1134720854.db2.gz DVXSIYDGILGSEK-SFTDATJTSA-N 0 3 337.463 3.706 20 30 EHEDHN CCCCCCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001191081858 1134790571 /nfs/dbraw/zinc/79/05/71/1134790571.db2.gz COCYTPAMUWVSKE-LJQANCHMSA-N 0 3 331.504 3.873 20 30 EHEDHN CC[C@]1(C)CCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001191212573 1134817834 /nfs/dbraw/zinc/81/78/34/1134817834.db2.gz AWJAGCSDEGRMBS-OWODTTCDSA-N 0 3 333.520 3.818 20 30 EHEDHN C=CC[C@@H]1N(CC(=O)NCc2ccc(CC)s2)CCCC1(C)C ZINC001193920054 1135203797 /nfs/dbraw/zinc/20/37/97/1135203797.db2.gz IZXUPEHQOUVKAJ-KRWDZBQOSA-N 0 3 334.529 3.993 20 30 EHEDHN C=C[C@@](C)(CCOC)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805925692 1135356175 /nfs/dbraw/zinc/35/61/75/1135356175.db2.gz QASSLGCHMWLIAI-NRFANRHFSA-N 0 3 345.483 3.671 20 30 EHEDHN N#CC1CCC(COC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000805930322 1135357326 /nfs/dbraw/zinc/35/73/26/1135357326.db2.gz JSSLRADFWAQFOU-UHFFFAOYSA-N 0 3 326.440 3.769 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806173575 1135398271 /nfs/dbraw/zinc/39/82/71/1135398271.db2.gz YJISUTYBOVCRCI-IIBYNOLFSA-N 0 3 340.442 3.791 20 30 EHEDHN C=CC[C@H]1CCCN(Cc2cn3cc(Br)ccc3n2)C1 ZINC001195945946 1135497693 /nfs/dbraw/zinc/49/76/93/1135497693.db2.gz CYADIHFLCSJBQG-ZDUSSCGKSA-N 0 3 334.261 3.885 20 30 EHEDHN C=CC[C@H]1CCCN(CC(=O)N[C@@H](CC)c2ccccc2OCC)C1 ZINC001195946083 1135497874 /nfs/dbraw/zinc/49/78/74/1135497874.db2.gz GKWHWHHEQPFUHJ-HKUYNNGSSA-N 0 3 344.499 3.941 20 30 EHEDHN CCN(C(=O)C#Cc1ccccc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000747367336 1135512521 /nfs/dbraw/zinc/51/25/21/1135512521.db2.gz CDLTXCUCBMSVSA-KNQAVFIVSA-N 0 3 346.474 3.722 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H](CC)c1ccccc1OCC ZINC001196329754 1135547026 /nfs/dbraw/zinc/54/70/26/1135547026.db2.gz QOEIMTRZIHFMSP-SCTDSRPQSA-N 0 3 342.483 3.836 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN(C2CC2)C2CCCC2)cc1C ZINC000747530505 1135750038 /nfs/dbraw/zinc/75/00/38/1135750038.db2.gz XGRKKTJCKGYPRO-UHFFFAOYSA-N 0 3 339.483 3.957 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCc2cccc3cccc1c32 ZINC001197987155 1135764141 /nfs/dbraw/zinc/76/41/41/1135764141.db2.gz APQSSTDBJITODP-LYLBAIIYSA-N 0 3 349.478 3.860 20 30 EHEDHN COc1cc(CNCc2cc(C)cc(Br)c2)ccc1C#N ZINC000810169246 1135930086 /nfs/dbraw/zinc/93/00/86/1135930086.db2.gz MRHIZEPXTARIIQ-UHFFFAOYSA-N 0 3 345.240 3.928 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2(CCF)CC2)cc1 ZINC000810533831 1135970959 /nfs/dbraw/zinc/97/09/59/1135970959.db2.gz XEUAAXNGHVCLQQ-BBRMVZONSA-N 0 3 330.403 3.987 20 30 EHEDHN CC(C)c1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001201963996 1136079315 /nfs/dbraw/zinc/07/93/15/1136079315.db2.gz ZRYLABLXPQRWNS-NRFANRHFSA-N 0 3 347.462 3.967 20 30 EHEDHN C#C[C@H](NC1CCN(C(=O)OCC(C)C)CC1)c1ccc(Cl)cc1 ZINC000811516335 1136104427 /nfs/dbraw/zinc/10/44/27/1136104427.db2.gz LRJOKCZOMYFGGW-SFHVURJKSA-N 0 3 348.874 3.861 20 30 EHEDHN C=CCc1cc(OC)cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000811779326 1136134787 /nfs/dbraw/zinc/13/47/87/1136134787.db2.gz OVZLPJFEWCXOOP-PKOBYXMFSA-N 0 3 331.456 3.519 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(CC#N)c([N+](=O)[O-])c1 ZINC001170683447 1136235813 /nfs/dbraw/zinc/23/58/13/1136235813.db2.gz ZQGBYVMFRYQFCJ-ZDUSSCGKSA-N 0 3 347.378 3.533 20 30 EHEDHN C#C[C@@H](NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC000812793322 1136251484 /nfs/dbraw/zinc/25/14/84/1136251484.db2.gz UAVDEHLIPYAJKX-XLIONFOSSA-N 0 3 346.446 3.737 20 30 EHEDHN CCc1ccccc1OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218151 1136304282 /nfs/dbraw/zinc/30/42/82/1136304282.db2.gz SMNRMFDMXOSADI-CQSZACIVSA-N 0 3 348.324 3.918 20 30 EHEDHN C[C@@H](Oc1ccccc1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813219230 1136304893 /nfs/dbraw/zinc/30/48/93/1136304893.db2.gz YHDBHWYCPPSDMN-BXUZGUMPSA-N 0 3 334.297 3.744 20 30 EHEDHN CCCCCCCOc1cccc(CN[C@@H]2CCCCNC2=O)c1 ZINC000747855089 1136335220 /nfs/dbraw/zinc/33/52/20/1136335220.db2.gz ZVDVYCMGCUPFBM-LJQANCHMSA-N 0 3 332.488 3.794 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000851641136 1136398498 /nfs/dbraw/zinc/39/84/98/1136398498.db2.gz KNNKMVBJHAKMOA-KBMXLJTQSA-N 0 3 335.879 3.684 20 30 EHEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000852098264 1136433250 /nfs/dbraw/zinc/43/32/50/1136433250.db2.gz IQDWVHKFUWUEGW-VQTJNVASSA-N 0 3 340.492 3.654 20 30 EHEDHN C=CCCC(C)(C)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000854231876 1136600711 /nfs/dbraw/zinc/60/07/11/1136600711.db2.gz OHWZRVHRJKHJTQ-UHFFFAOYSA-N 0 3 344.503 3.695 20 30 EHEDHN C=CCOCCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000816471371 1136719000 /nfs/dbraw/zinc/71/90/00/1136719000.db2.gz CMMRXMHKMQMFEI-PKOBYXMFSA-N 0 3 331.456 3.566 20 30 EHEDHN C[C@H]1[C@@H](OC(=O)c2cccc(C#N)c2)CCCN1Cc1ccccc1 ZINC000816468583 1136720356 /nfs/dbraw/zinc/72/03/56/1136720356.db2.gz JVKIRBYAUQKZIJ-JXFKEZNVSA-N 0 3 334.419 3.768 20 30 EHEDHN C#CCOc1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000816631648 1136747066 /nfs/dbraw/zinc/74/70/66/1136747066.db2.gz ZEIJCCYBXXUNIH-OAQYLSRUSA-N 0 3 335.447 3.692 20 30 EHEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](O)c1c(F)cccc1F ZINC000817408863 1136805369 /nfs/dbraw/zinc/80/53/69/1136805369.db2.gz RAOJQHWHVHOOGH-AEFFLSMTSA-N 0 3 334.341 3.577 20 30 EHEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001170882508 1136844696 /nfs/dbraw/zinc/84/46/96/1136844696.db2.gz SXZPJMZKYMQHTD-CRAIPNDOSA-N 0 3 343.471 3.541 20 30 EHEDHN N#CC(C(=O)C[C@H]1CCOc2ccccc21)c1nc2ccccc2[nH]1 ZINC000118141133 1137099199 /nfs/dbraw/zinc/09/91/99/1137099199.db2.gz KBNJEBSEHTUKCP-HIFRSBDPSA-N 0 3 331.375 3.696 20 30 EHEDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824797787 1137152704 /nfs/dbraw/zinc/15/27/04/1137152704.db2.gz ZASYAPIMJQOVRJ-OAHLLOKOSA-N 0 3 343.471 3.587 20 30 EHEDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1CN(CC(C)(C)CCC#N)C2 ZINC000119280581 1137171423 /nfs/dbraw/zinc/17/14/23/1137171423.db2.gz YYEBZUWRNYPXHY-IYBDPMFKSA-N 0 3 335.492 3.790 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCSC(C)C ZINC000863274416 1137179181 /nfs/dbraw/zinc/17/91/81/1137179181.db2.gz JXHYJTIYTPNCSO-UHFFFAOYSA-N 0 3 340.562 3.684 20 30 EHEDHN N=C(N[C@@H]1CCc2cc(Cl)c(Cl)cc2C1)c1ccc(F)cn1 ZINC001171146744 1137245229 /nfs/dbraw/zinc/24/52/29/1137245229.db2.gz YQLKKJFFVNVSFK-GFCCVEGCSA-N 0 3 338.213 3.790 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)NCC(=O)c1ccc(C(F)(F)F)cc1 ZINC001171189901 1137296817 /nfs/dbraw/zinc/29/68/17/1137296817.db2.gz NXOVYBFOHRVPEC-CYBMUJFWSA-N 0 3 346.352 3.981 20 30 EHEDHN CCCn1c2ccccc2nc1CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC000865847612 1137316329 /nfs/dbraw/zinc/31/63/29/1137316329.db2.gz GSQRWPKJULVCIT-SFHVURJKSA-N 0 3 330.435 3.575 20 30 EHEDHN C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000866335639 1137346720 /nfs/dbraw/zinc/34/67/20/1137346720.db2.gz DIQBUCOCDPQXQU-VYDXJSESSA-N 0 3 327.472 3.567 20 30 EHEDHN C[C@@H](NC1CCN(c2ccccc2C#N)CC1)c1ccncc1Cl ZINC000866448258 1137355567 /nfs/dbraw/zinc/35/55/67/1137355567.db2.gz CGFHCICFXMWVJE-CQSZACIVSA-N 0 3 340.858 3.926 20 30 EHEDHN Cc1nc([C@H](C)NC2CCN(c3ccccc3C#N)CC2)cs1 ZINC000866449461 1137355676 /nfs/dbraw/zinc/35/56/76/1137355676.db2.gz VHMUBNVYECTTDJ-ZDUSSCGKSA-N 0 3 326.469 3.643 20 30 EHEDHN Cc1nn(-c2ccccc2)c(N)c1C=NN[C@@H]1CCCCC1(C)C ZINC000794936782 1137368058 /nfs/dbraw/zinc/36/80/58/1137368058.db2.gz SIBIBXDSWQEXIO-QGZVFWFLSA-N 0 3 325.460 3.655 20 30 EHEDHN CCc1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000121841796 1137387104 /nfs/dbraw/zinc/38/71/04/1137387104.db2.gz FERBPOOMTCWZHS-KDOFPFPSSA-N 0 3 326.440 3.510 20 30 EHEDHN CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000868815991 1137424720 /nfs/dbraw/zinc/42/47/20/1137424720.db2.gz WKFGLZYBMMVELG-KRWDZBQOSA-N 0 3 349.475 3.667 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](C)c1cc(C)oc1C ZINC000348105520 1137440951 /nfs/dbraw/zinc/44/09/51/1137440951.db2.gz FCPRGKOWGLGXQW-CRAIPNDOSA-N 0 3 329.440 3.715 20 30 EHEDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1C#N ZINC000773079272 1137463634 /nfs/dbraw/zinc/46/36/34/1137463634.db2.gz YBVSTXQEUMPQER-CYBMUJFWSA-N 0 3 349.434 3.647 20 30 EHEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@@](C)(O)C(F)(F)F)cc1 ZINC000773118074 1137466544 /nfs/dbraw/zinc/46/65/44/1137466544.db2.gz MJPDMLWYOYTJAE-BXUZGUMPSA-N 0 3 337.769 3.782 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@](C)(O)C(F)(F)F)cc1 ZINC000773118079 1137466708 /nfs/dbraw/zinc/46/67/08/1137466708.db2.gz MJPDMLWYOYTJAE-FZMZJTMJSA-N 0 3 337.769 3.782 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CC(CC#N)C2)C[C@@H]1C(C)(C)C ZINC001171599654 1137500111 /nfs/dbraw/zinc/50/01/11/1137500111.db2.gz CWDUUCZXMDCYOB-HZPDHXFCSA-N 0 3 335.492 3.646 20 30 EHEDHN CCCCN(CCC#N)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171894575 1137517548 /nfs/dbraw/zinc/51/75/48/1137517548.db2.gz HOXHZJWPTTVBBT-LJQANCHMSA-N 0 3 327.472 3.697 20 30 EHEDHN CCOc1ccccc1N1CCN([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172309934 1137545851 /nfs/dbraw/zinc/54/58/51/1137545851.db2.gz XYMBTKSDSPNIQL-SFHVURJKSA-N 0 3 349.478 3.710 20 30 EHEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000795179752 1137547997 /nfs/dbraw/zinc/54/79/97/1137547997.db2.gz NHHRRARVWPEMQV-IBGZPJMESA-N 0 3 333.435 3.695 20 30 EHEDHN CC[C@@H](NCc1ccc(CC#N)cc1)C(=O)N(C)c1ccc(C)cc1 ZINC000871887892 1137562712 /nfs/dbraw/zinc/56/27/12/1137562712.db2.gz FYSRVVHDVXXRFX-HXUWFJFHSA-N 0 3 335.451 3.592 20 30 EHEDHN C[C@H](NC1CCN(c2ccccc2C#N)CC1)c1cc(O)ccc1F ZINC000872093809 1137570997 /nfs/dbraw/zinc/57/09/97/1137570997.db2.gz XBLOESVCXXZREV-AWEZNQCLSA-N 0 3 339.414 3.723 20 30 EHEDHN CC(C)(C)OC(=O)Nc1cc(F)cc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000872124640 1137572854 /nfs/dbraw/zinc/57/28/54/1137572854.db2.gz GEQZGFILESEOFI-IUODEOHRSA-N 0 3 333.407 3.955 20 30 EHEDHN C=CCN(Cc1cccs1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876547655 1137655217 /nfs/dbraw/zinc/65/52/17/1137655217.db2.gz FWXVCXJEJOWOQQ-UHFFFAOYSA-N 0 3 342.508 3.897 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000876585703 1137656329 /nfs/dbraw/zinc/65/63/29/1137656329.db2.gz SNOHHAOAPJOEHS-NHYWBVRUSA-N 0 3 327.255 3.862 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000876775033 1137661025 /nfs/dbraw/zinc/66/10/25/1137661025.db2.gz MMWJRUPRJPELTH-HOCLYGCPSA-N 0 3 335.879 3.782 20 30 EHEDHN COc1ccc(C(C)(C)CNCc2cc(C#N)cnc2Cl)cc1 ZINC000877020953 1137667815 /nfs/dbraw/zinc/66/78/15/1137667815.db2.gz JPRKQBPNGVIWGX-UHFFFAOYSA-N 0 3 329.831 3.683 20 30 EHEDHN C=C(C)[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)c(F)c1 ZINC000877409220 1137675815 /nfs/dbraw/zinc/67/58/15/1137675815.db2.gz ZRGVLICAPNKNQE-QWQCLYJRSA-N 0 3 348.353 3.680 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCCc2ccccc2OC(F)F)c1 ZINC000877467421 1137677326 /nfs/dbraw/zinc/67/73/26/1137677326.db2.gz GSNJKDJYBXCWGV-UHFFFAOYSA-N 0 3 337.757 3.540 20 30 EHEDHN C=CC(C)(C)CCNCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877648510 1137684205 /nfs/dbraw/zinc/68/42/05/1137684205.db2.gz OUMFDSMGUZFYTA-UHFFFAOYSA-N 0 3 349.475 3.701 20 30 EHEDHN C#CCCOc1ccc(CN2CC[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877674288 1137685456 /nfs/dbraw/zinc/68/54/56/1137685456.db2.gz SWFPJHWTTNWZQM-RBBKRZOGSA-N 0 3 335.447 3.787 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(CC2(CC#N)CC2)CC1 ZINC000878001092 1137699046 /nfs/dbraw/zinc/69/90/46/1137699046.db2.gz MSBIEUMCKXPIOL-KRWDZBQOSA-N 0 3 347.503 3.792 20 30 EHEDHN N#CCC1(CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)CC1 ZINC000878185637 1137706273 /nfs/dbraw/zinc/70/62/73/1137706273.db2.gz LRFKXHNNBATLNE-GOSISDBHSA-N 0 3 326.465 3.978 20 30 EHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000880098548 1137768073 /nfs/dbraw/zinc/76/80/73/1137768073.db2.gz URVLNPSNDRKVLN-GFCCVEGCSA-N 0 3 335.329 3.854 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)c(C(C)=O)c(C)c2)CC1 ZINC000881069333 1137799602 /nfs/dbraw/zinc/79/96/02/1137799602.db2.gz OQEOFTHOIYVBIH-UHFFFAOYSA-N 0 3 343.471 3.668 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000883132506 1137845877 /nfs/dbraw/zinc/84/58/77/1137845877.db2.gz TWJVXRIHRWXXFE-UHFFFAOYSA-N 0 3 334.419 3.649 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000106317517 1137883141 /nfs/dbraw/zinc/88/31/41/1137883141.db2.gz MFCRGRRJZPCGEK-UHFFFAOYSA-N 0 3 325.815 3.641 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2ccc(C)cc2)CC1 ZINC000106275803 1137883203 /nfs/dbraw/zinc/88/32/03/1137883203.db2.gz RNTUQHNVGRWNER-KRWDZBQOSA-N 0 3 329.488 3.738 20 30 EHEDHN Cc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000106878804 1137884894 /nfs/dbraw/zinc/88/48/94/1137884894.db2.gz GIRZJHKSOBBAIM-ZDUSSCGKSA-N 0 3 342.468 3.653 20 30 EHEDHN C[C@H](NC[C@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1F ZINC000348323061 1137952537 /nfs/dbraw/zinc/95/25/37/1137952537.db2.gz JCPMZWUYJPNQRI-GXTWGEPZSA-N 0 3 332.806 3.777 20 30 EHEDHN C=CCN1C(=O)CCC12CCN(Cc1ccc3cc(C)ccc3n1)CC2 ZINC001137213282 1137967934 /nfs/dbraw/zinc/96/79/34/1137967934.db2.gz WNJWRIHPXROALT-UHFFFAOYSA-N 0 3 349.478 3.686 20 30 EHEDHN COc1cccc(C=C2CCN(C[C@H](O)CC3(C#N)CCC3)CC2)c1 ZINC000886040734 1138034111 /nfs/dbraw/zinc/03/41/11/1138034111.db2.gz CBPHEUXYNJVOIG-LJQANCHMSA-N 0 3 340.467 3.619 20 30 EHEDHN C#CCN(C(=O)C/C=C/c1ccc(C(C)C)cc1)C1CCN(C)CC1 ZINC000886578558 1138098764 /nfs/dbraw/zinc/09/87/64/1138098764.db2.gz BXDWLQARSWHGGJ-VOTSOKGWSA-N 0 3 338.495 3.769 20 30 EHEDHN C#CCOc1ccccc1CNCCc1nc(C(F)(F)F)cs1 ZINC000080519828 1138163074 /nfs/dbraw/zinc/16/30/74/1138163074.db2.gz BFBSWWPBERZHQF-UHFFFAOYSA-N 0 3 340.370 3.506 20 30 EHEDHN COc1ccccc1COC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000092422769 1138227748 /nfs/dbraw/zinc/22/77/48/1138227748.db2.gz LGLPXHUISFIZOO-UHFFFAOYSA-N 0 3 336.435 3.748 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000264352203 1138485034 /nfs/dbraw/zinc/48/50/34/1138485034.db2.gz FTNSMNUVJWSSOL-UHFFFAOYSA-N 0 3 325.815 3.641 20 30 EHEDHN CSc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000337214489 1138497289 /nfs/dbraw/zinc/49/72/89/1138497289.db2.gz FDSOKAXRRXDLLZ-UONOGXRCSA-N 0 3 339.464 3.958 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cc2OCC)CC1 ZINC000264409655 1138504374 /nfs/dbraw/zinc/50/43/74/1138504374.db2.gz QPZQFQLSFKABBW-UHFFFAOYSA-N 0 3 331.460 3.556 20 30 EHEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000338139799 1138763943 /nfs/dbraw/zinc/76/39/43/1138763943.db2.gz KLPINVORHANROE-QGZVFWFLSA-N 0 3 347.462 3.603 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OC)c(OC)c2)cc1 ZINC000151580180 1139045015 /nfs/dbraw/zinc/04/50/15/1139045015.db2.gz DEHPKENRAHIEBO-OAHLLOKOSA-N 0 3 325.408 3.567 20 30 EHEDHN CC(C)Oc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1C#N ZINC000153589171 1139143568 /nfs/dbraw/zinc/14/35/68/1139143568.db2.gz LZIAVPALTMFIBR-UHFFFAOYSA-N 0 3 337.423 3.659 20 30 EHEDHN C[C@@H]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000429570363 1139310458 /nfs/dbraw/zinc/31/04/58/1139310458.db2.gz ONOMCPGSEIGDEU-GDBMZVCRSA-N 0 3 333.863 3.707 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)CC1 ZINC000174770552 1139440561 /nfs/dbraw/zinc/44/05/61/1139440561.db2.gz USJBIMUYZMYTOX-AEFFLSMTSA-N 0 3 345.487 3.803 20 30 EHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000184971520 1140128406 /nfs/dbraw/zinc/12/84/06/1140128406.db2.gz OQDYBTUNWMHXGQ-VQIMIIECSA-N 0 3 330.472 3.551 20 30 EHEDHN CCSc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccn1 ZINC000187792151 1140271894 /nfs/dbraw/zinc/27/18/94/1140271894.db2.gz RVFCMYMSFSVMIT-AWEZNQCLSA-N 0 3 327.453 3.947 20 30 EHEDHN C=CCN1CCC(NC(=O)C(C)(C)c2ccc(Cl)cc2F)CC1 ZINC000190313826 1140398925 /nfs/dbraw/zinc/39/89/25/1140398925.db2.gz KRPAVFLWOXSBSD-UHFFFAOYSA-N 0 3 338.854 3.523 20 30 EHEDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C)cc1 ZINC000190627246 1140411812 /nfs/dbraw/zinc/41/18/12/1140411812.db2.gz VKERYGATKRKGEC-RTWAWAEBSA-N 0 3 347.462 3.709 20 30 EHEDHN C[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(OCC#N)cc1 ZINC000192941586 1140556281 /nfs/dbraw/zinc/55/62/81/1140556281.db2.gz RHHJMHXWXIKYOX-MRXNPFEDSA-N 0 3 349.434 3.567 20 30 EHEDHN CN(Cc1ccccc1C(F)(F)F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268647432 1140967288 /nfs/dbraw/zinc/96/72/88/1140967288.db2.gz UYNXOXVQDACRQI-QGZVFWFLSA-N 0 3 334.341 3.742 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(N3CCCCC3)nc2)cc1 ZINC000268783896 1140990402 /nfs/dbraw/zinc/99/04/02/1140990402.db2.gz QUPXDORFLFRZRT-SFHVURJKSA-N 0 3 349.478 3.935 20 30 EHEDHN C=CCOc1cccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000270130905 1141182243 /nfs/dbraw/zinc/18/22/43/1141182243.db2.gz POCVOJYGINTUIC-WNSKOXEYSA-N 0 3 329.465 3.840 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(CC#N)cc1)c1ccsc1 ZINC000270252438 1141197360 /nfs/dbraw/zinc/19/73/60/1141197360.db2.gz MRCGHRGXLBVAOJ-SFHVURJKSA-N 0 3 341.480 3.627 20 30 EHEDHN CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(C#N)c1[O-] ZINC000925218033 1032072657 /nfs/dbraw/zinc/07/26/57/1032072657.db2.gz TWBAAJHMHGXIKM-IBGZPJMESA-N 0 3 327.472 3.712 20 30 EHEDHN CCC(C#N)(CC)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001625783886 1014510242 /nfs/dbraw/zinc/51/02/42/1014510242.db2.gz DQFHEBDRHNFCTF-LJQANCHMSA-N 0 3 343.515 3.934 20 30 EHEDHN CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000413358905 1014631571 /nfs/dbraw/zinc/63/15/71/1014631571.db2.gz NJWROJQNHBZLSH-IXDOHACOSA-N 0 3 343.471 3.593 20 30 EHEDHN C[C@@H](c1ccccc1)N(CC(=O)N[C@](C)(C#N)C1CC1)CC1CCC1 ZINC000246879345 1014849489 /nfs/dbraw/zinc/84/94/89/1014849489.db2.gz FRZMOUPCXADZFP-HRAATJIYSA-N 0 3 339.483 3.658 20 30 EHEDHN CCOc1cccc(/C=N/C[C@@H](c2ccc(F)cc2)N(C)C)c1O ZINC000126916703 1015091897 /nfs/dbraw/zinc/09/18/97/1015091897.db2.gz YUNHALDRPYROBC-RHLNUJDMSA-N 0 3 330.403 3.652 20 30 EHEDHN C=CCCC(=O)Nc1ccc(N2CCN(CCC)CC2)cc1OCC ZINC000471168663 1015223782 /nfs/dbraw/zinc/22/37/82/1015223782.db2.gz JZPFMATWVUEPPN-UHFFFAOYSA-N 0 3 345.487 3.522 20 30 EHEDHN N#CCc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000343738407 1032123481 /nfs/dbraw/zinc/12/34/81/1032123481.db2.gz DZEJACGDKBFEBK-INIZCTEOSA-N 0 3 348.372 3.805 20 30 EHEDHN C=CCCCCCN1CCc2c(c(COCC)nn2CC2CC2)C1 ZINC001209422746 1016246323 /nfs/dbraw/zinc/24/63/23/1016246323.db2.gz GWVDQLYXUCMGBJ-UHFFFAOYSA-N 0 3 331.504 3.934 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)Nc1cccc(C#N)c1)c1ccsc1 ZINC000043329570 1016340317 /nfs/dbraw/zinc/34/03/17/1016340317.db2.gz YTABXYDMDZSWFU-KRWDZBQOSA-N 0 3 342.468 3.824 20 30 EHEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000414499009 1016956572 /nfs/dbraw/zinc/95/65/72/1016956572.db2.gz XOOHXCSCZWVCRX-MSOLQXFVSA-N 0 3 346.352 3.979 20 30 EHEDHN CC(C)(C)OC(=O)CC[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000414564087 1016968122 /nfs/dbraw/zinc/96/81/22/1016968122.db2.gz XABQAKAQFSNQEZ-CQSZACIVSA-N 0 3 334.485 3.954 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000538179403 1032199193 /nfs/dbraw/zinc/19/91/93/1032199193.db2.gz HYWWHRGNOJXVRP-JXFKEZNVSA-N 0 3 329.488 3.762 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000538364772 1032311503 /nfs/dbraw/zinc/31/15/03/1032311503.db2.gz JQCKJJVHYJAUGO-PKOBYXMFSA-N 0 3 329.488 3.647 20 30 EHEDHN Cn1cc(CN[C@H]2CCCc3cc(OC(F)F)ccc32)cc1C#N ZINC000190908179 1032410630 /nfs/dbraw/zinc/41/06/30/1032410630.db2.gz UYSLFQAACVJUTP-KRWDZBQOSA-N 0 3 331.366 3.665 20 30 EHEDHN Cc1ccccc1[C@H](CC(C)C)NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000537058705 1032496511 /nfs/dbraw/zinc/49/65/11/1032496511.db2.gz SCXAXVOYCDSNSL-ICSRJNTNSA-N 0 3 329.488 3.726 20 30 EHEDHN N#CCCN(C(=O)CN1CCC[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000053065132 1032575635 /nfs/dbraw/zinc/57/56/35/1032575635.db2.gz PVEGSQPDOMWUHI-MJGOQNOKSA-N 0 3 325.456 3.588 20 30 EHEDHN N#Cc1c(F)cccc1CN[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602015567 1032581354 /nfs/dbraw/zinc/58/13/54/1032581354.db2.gz MZFWLOWAWAVPBS-QFBILLFUSA-N 0 3 328.362 3.846 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496099 1032665438 /nfs/dbraw/zinc/66/54/38/1032665438.db2.gz GBEQJXMDSZPMCA-CQSZACIVSA-N 0 3 327.409 3.908 20 30 EHEDHN N#Cc1cc(F)ccc1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000377124207 1017353028 /nfs/dbraw/zinc/35/30/28/1017353028.db2.gz DCXPUMABWBNVLY-QHAWAJNXSA-N 0 3 336.410 3.702 20 30 EHEDHN N#Cc1ccc(CNCCOc2ccc(C(F)(F)F)cc2)s1 ZINC000176952926 1017538475 /nfs/dbraw/zinc/53/84/75/1017538475.db2.gz LRCKMDMSPRCRMC-UHFFFAOYSA-N 0 3 326.343 3.807 20 30 EHEDHN N#Cc1ccc(CNCCOc2ccccc2C(F)(F)F)s1 ZINC000176965350 1017544476 /nfs/dbraw/zinc/54/44/76/1017544476.db2.gz XJDHNBVNUNKALW-UHFFFAOYSA-N 0 3 326.343 3.807 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449521832 1032715479 /nfs/dbraw/zinc/71/54/79/1032715479.db2.gz SPZQSSQGCBSLER-CVEARBPZSA-N 0 3 348.786 3.941 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000593989033 1032731225 /nfs/dbraw/zinc/73/12/25/1032731225.db2.gz XPZWDJRNFSYHRE-UHFFFAOYSA-N 0 3 341.842 3.959 20 30 EHEDHN Cc1nccn1-c1ccc(CNCc2cc(C#N)cs2)cc1F ZINC000177690393 1018470440 /nfs/dbraw/zinc/47/04/40/1018470440.db2.gz NVCWPENISLXDCN-UHFFFAOYSA-N 0 3 326.400 3.543 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC)cc1Br ZINC000449548854 1032767035 /nfs/dbraw/zinc/76/70/35/1032767035.db2.gz RHWCNVLNGVKGBM-XZJROXQQSA-N 0 3 340.261 3.842 20 30 EHEDHN C=CCOc1cccc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000123852366 1018524041 /nfs/dbraw/zinc/52/40/41/1018524041.db2.gz HHNRMWDZLWRVJG-GOSISDBHSA-N 0 3 344.499 3.626 20 30 EHEDHN Cc1c(Cl)cccc1NC(=O)CCNCc1cc(C#N)cs1 ZINC000177693758 1018526251 /nfs/dbraw/zinc/52/62/51/1018526251.db2.gz WDFIJFFHRWULMV-UHFFFAOYSA-N 0 3 333.844 3.700 20 30 EHEDHN C[C@H]1CC[C@@H](c2ccccc2)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580196650 1018772065 /nfs/dbraw/zinc/77/20/65/1018772065.db2.gz XLNAYCCDFDKBPH-KXBFYZLASA-N 0 3 331.423 3.574 20 30 EHEDHN N#Cc1cccc(OCCCNC2(c3nccs3)CCCC2)c1 ZINC000129230277 1018974432 /nfs/dbraw/zinc/97/44/32/1018974432.db2.gz WIHPBQDAAGZZCO-UHFFFAOYSA-N 0 3 327.453 3.843 20 30 EHEDHN CC(C)(C)[C@@H](COc1ccccc1F)NCc1ccc(C#N)cn1 ZINC000574288829 1032880556 /nfs/dbraw/zinc/88/05/56/1032880556.db2.gz VNZGIZZJZVWXAU-GOSISDBHSA-N 0 3 327.403 3.676 20 30 EHEDHN CC(C)Oc1ccc([C@@H](CNc2c(C#N)cccc2C#N)N(C)C)cc1 ZINC000340856203 1020467825 /nfs/dbraw/zinc/46/78/25/1020467825.db2.gz XPRNREGLNSBBIC-HXUWFJFHSA-N 0 3 348.450 3.932 20 30 EHEDHN C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(C2CC2)c1 ZINC000581296873 1020648239 /nfs/dbraw/zinc/64/82/39/1020648239.db2.gz LLMZEMQATYILLC-YCRPNKLZSA-N 0 3 345.446 3.892 20 30 EHEDHN COc1ccc(CN2CCC(c3c[nH]c4ncccc34)CC2)cc1C#N ZINC000135192200 1020887840 /nfs/dbraw/zinc/88/78/40/1020887840.db2.gz CUTPAIPSVZVNLT-UHFFFAOYSA-N 0 3 346.434 3.823 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC000602545741 1032956716 /nfs/dbraw/zinc/95/67/16/1032956716.db2.gz OQXWNPKKZFCTKZ-FUHWJXTLSA-N 0 3 347.890 3.675 20 30 EHEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051322718 1022488805 /nfs/dbraw/zinc/48/88/05/1022488805.db2.gz MIVHNGPQSWFAGP-QGZVFWFLSA-N 0 3 334.341 3.742 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000518002190 1022924676 /nfs/dbraw/zinc/92/46/76/1022924676.db2.gz VCMLYTXTNNHPHT-ZHALLVOQSA-N 0 3 333.520 3.685 20 30 EHEDHN N#Cc1ccc(C2(N[C@H](c3nnc[nH]3)C3CCCCC3)CCC2)cc1 ZINC000602709516 1033096205 /nfs/dbraw/zinc/09/62/05/1033096205.db2.gz KGWOFLMFIVHIRZ-SFHVURJKSA-N 0 3 335.455 3.967 20 30 EHEDHN CC[C@@H](C)[C@H](NCC(=O)N(CC)CCC#N)c1ccc(Cl)cc1 ZINC000341859283 1023479597 /nfs/dbraw/zinc/47/95/97/1023479597.db2.gz LRQCBVVWGFNXGP-KDOFPFPSSA-N 0 3 335.879 3.779 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000341883579 1023534373 /nfs/dbraw/zinc/53/43/73/1023534373.db2.gz FOLIMLMAPHASGN-KRWDZBQOSA-N 0 3 335.879 3.779 20 30 EHEDHN CC(C)N(C(=O)CCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000594053756 1033152481 /nfs/dbraw/zinc/15/24/81/1033152481.db2.gz ALDRJFNSYXBLBU-IBGZPJMESA-N 0 3 327.472 3.582 20 30 EHEDHN C=CCC[C@@H](NCc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000341909278 1023679660 /nfs/dbraw/zinc/67/96/60/1023679660.db2.gz LXQAACAKOIVKJR-LJQANCHMSA-N 0 3 329.465 3.887 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2nc3c(s2)CCCC3)n1 ZINC000505410376 1023954935 /nfs/dbraw/zinc/95/49/35/1023954935.db2.gz RTCGMFNIDLSPEZ-JTQLQIEISA-N 0 3 346.481 3.848 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000121092741 1023984220 /nfs/dbraw/zinc/98/42/20/1023984220.db2.gz VBJONZHTDORDEO-UHFFFAOYSA-N 0 3 346.434 3.823 20 30 EHEDHN C=CCCCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000474089720 1024129788 /nfs/dbraw/zinc/12/97/88/1024129788.db2.gz OJJSGVGVDXIMBK-LJQANCHMSA-N 0 3 329.488 3.649 20 30 EHEDHN COC[C@@H]1CCCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000449778030 1033197289 /nfs/dbraw/zinc/19/72/89/1033197289.db2.gz ROFNDXRPKXFGAF-CYBMUJFWSA-N 0 3 326.362 3.826 20 30 EHEDHN Cc1cccc([C@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)c1C ZINC000183718320 1024300577 /nfs/dbraw/zinc/30/05/77/1024300577.db2.gz VHLKKJNRXYPMIL-KRWDZBQOSA-N 0 3 327.472 3.639 20 30 EHEDHN C=CCC[C@H](CO)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000320667588 1024568931 /nfs/dbraw/zinc/56/89/31/1024568931.db2.gz RSVIKUGXKYVKBK-CYBMUJFWSA-N 0 3 328.437 3.973 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\C1CCCCC1 ZINC000255455092 1024588848 /nfs/dbraw/zinc/58/88/48/1024588848.db2.gz HEIVJPLRWVVJOT-QXMHVHEDSA-N 0 3 339.483 3.585 20 30 EHEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000119642485 1024654994 /nfs/dbraw/zinc/65/49/94/1024654994.db2.gz YQZJLEJBDJZQBM-IIDMSEBBSA-N 0 3 342.439 3.829 20 30 EHEDHN CN(C)c1ccncc1CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000185227373 1024663682 /nfs/dbraw/zinc/66/36/82/1024663682.db2.gz CBGFSEOGQLLLPY-UHFFFAOYSA-N 0 3 342.446 3.976 20 30 EHEDHN COc1ccc(CNCC(C)(C)CCC#N)c(Br)c1O ZINC000342276952 1024695632 /nfs/dbraw/zinc/69/56/32/1024695632.db2.gz BTJMCZGAAFVRFV-UHFFFAOYSA-N 0 3 341.249 3.583 20 30 EHEDHN C[C@@H]1CN(Cc2csc(C#N)c2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC000896240951 1025282272 /nfs/dbraw/zinc/28/22/72/1025282272.db2.gz MXZAEVPYCGYXBJ-UKRRQHHQSA-N 0 3 349.500 3.602 20 30 EHEDHN COc1cc(CN[C@@H](C)[C@H](OC)c2ccccc2F)ccc1C#N ZINC000281709051 1025376585 /nfs/dbraw/zinc/37/65/85/1025376585.db2.gz OIOONTOLZKDCDW-DJJJIMSYSA-N 0 3 328.387 3.572 20 30 EHEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(NC(=O)c3cccc(F)c3)c2)C1 ZINC000442722643 1025455231 /nfs/dbraw/zinc/45/52/31/1025455231.db2.gz XVJCBRAQPMGSRL-RDTXWAMCSA-N 0 3 337.398 3.860 20 30 EHEDHN Cc1ccccc1[C@@H](CC(C)C)NCc1cnc2c(C#N)cnn2c1 ZINC000521624597 1025520219 /nfs/dbraw/zinc/52/02/19/1025520219.db2.gz PQTFUTNXMXKDJV-LJQANCHMSA-N 0 3 333.439 3.786 20 30 EHEDHN C=CCN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000515781830 1025597593 /nfs/dbraw/zinc/59/75/93/1025597593.db2.gz AWCDHUQBSPMKGL-UHFFFAOYSA-N 0 3 342.395 3.670 20 30 EHEDHN O=C(C[C@@H]1CCCC[C@H]1O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000329219780 1025673936 /nfs/dbraw/zinc/67/39/36/1025673936.db2.gz SSYWXTFKPWBHAL-XUVXKRRUSA-N 0 3 344.499 3.939 20 30 EHEDHN COc1cccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)N(C)C)c1 ZINC000121784151 1025776316 /nfs/dbraw/zinc/77/63/16/1025776316.db2.gz QOTJADFUNZNKAI-CCULFSDZSA-N 0 3 349.434 3.671 20 30 EHEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3nccc4ccccc43)C2)nc1 ZINC000896653733 1025807450 /nfs/dbraw/zinc/80/74/50/1025807450.db2.gz FXFJIYMSENBCGS-SFHVURJKSA-N 0 3 343.434 3.578 20 30 EHEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3ccc4cnccc4c3)C2)nc1 ZINC000896652628 1025808778 /nfs/dbraw/zinc/80/87/78/1025808778.db2.gz DDWDUNQWRLXJNA-FQEVSTJZSA-N 0 3 343.434 3.578 20 30 EHEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000329450531 1025867551 /nfs/dbraw/zinc/86/75/51/1025867551.db2.gz DOMKOMRFRGOJOA-OKILXGFUSA-N 0 3 326.444 3.701 20 30 EHEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000443324972 1025917466 /nfs/dbraw/zinc/91/74/66/1025917466.db2.gz ZHZUAPXPMYAGJD-KEYYUXOJSA-N 0 3 325.374 3.538 20 30 EHEDHN C[C@H](NC([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1)C1CCCC1 ZINC000329490279 1025921340 /nfs/dbraw/zinc/92/13/40/1025921340.db2.gz HTWRQKCBWRBLHL-DZGCQCFKSA-N 0 3 332.492 3.578 20 30 EHEDHN N#Cc1ccc2c(c1)[C@H](NCc1cccc(OCC(F)F)c1)CC2 ZINC000582455766 1026311076 /nfs/dbraw/zinc/31/10/76/1026311076.db2.gz KVDNCBOCNNYZBT-GOSISDBHSA-N 0 3 328.362 3.979 20 30 EHEDHN C#Cc1ccc(CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000897265941 1026612331 /nfs/dbraw/zinc/61/23/31/1026612331.db2.gz VQFLIALDGDPSKU-HXUWFJFHSA-N 0 3 333.431 3.519 20 30 EHEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1cccc(OC(F)F)c1 ZINC000342728269 1026872166 /nfs/dbraw/zinc/87/21/66/1026872166.db2.gz LZLMEMSCZVFKEB-LBPRGKRZSA-N 0 3 342.349 3.658 20 30 EHEDHN N#CC(C(=O)Cc1ccc(F)cc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000176722606 1026878670 /nfs/dbraw/zinc/87/86/70/1026878670.db2.gz XXXDTXRBXPTSQA-AWEZNQCLSA-N 0 3 348.736 3.508 20 30 EHEDHN N#CC(C(=O)Cc1c(F)cccc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000176722870 1026914619 /nfs/dbraw/zinc/91/46/19/1026914619.db2.gz BYLZGHMIQSWIEC-ZDUSSCGKSA-N 0 3 348.736 3.508 20 30 EHEDHN COCCN(CCCc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000501187143 1027130401 /nfs/dbraw/zinc/13/04/01/1027130401.db2.gz OGEKYPXCYXVMNU-UHFFFAOYSA-N 0 3 338.451 3.648 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248753654 1027167427 /nfs/dbraw/zinc/16/74/27/1027167427.db2.gz GAKUILGOAUBHDT-FOIQADDNSA-N 0 3 348.450 3.509 20 30 EHEDHN OCC[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000421009459 1027958463 /nfs/dbraw/zinc/95/84/63/1027958463.db2.gz FCUMETTVBQHEJY-MRXNPFEDSA-N 0 3 325.374 3.541 20 30 EHEDHN C#CCCOc1ccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000113317565 1027961577 /nfs/dbraw/zinc/96/15/77/1027961577.db2.gz BKKLXROTFLHAQX-INIZCTEOSA-N 0 3 336.435 3.898 20 30 EHEDHN Cn1cnc2cc(CN3CC=C(c4ccc(C#N)cc4)CC3)ccc21 ZINC000342907324 1028049136 /nfs/dbraw/zinc/04/91/36/1028049136.db2.gz GFHBXNAGCWWKGL-UHFFFAOYSA-N 0 3 328.419 3.734 20 30 EHEDHN Cc1cc(C(C#N)C(=O)c2ccnc(Oc3ccccc3)c2)nc(C)n1 ZINC000523351485 1028195464 /nfs/dbraw/zinc/19/54/64/1028195464.db2.gz OFQNBCWANHVISD-QGZVFWFLSA-N 0 3 344.374 3.771 20 30 EHEDHN CC(C)[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000444751259 1028239151 /nfs/dbraw/zinc/23/91/51/1028239151.db2.gz CQPASTUSZQRUCG-IRXDYDNUSA-N 0 3 345.462 3.829 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3ccc4c(c3)CCN4)CC2)cc1 ZINC000423208643 1028252334 /nfs/dbraw/zinc/25/23/34/1028252334.db2.gz DJFCLFZRFGCFTQ-UHFFFAOYSA-N 0 3 332.451 3.603 20 30 EHEDHN CCC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424108962 1028804479 /nfs/dbraw/zinc/80/44/79/1028804479.db2.gz AEZAWRVQJCLWEJ-CABCVRRESA-N 0 3 342.270 3.972 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000424137113 1028824703 /nfs/dbraw/zinc/82/47/03/1028824703.db2.gz LKSNECOLMHZOBS-IAGOWNOFSA-N 0 3 333.863 3.709 20 30 EHEDHN CSc1cc(Br)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424209174 1028872253 /nfs/dbraw/zinc/87/22/53/1028872253.db2.gz ZGNJGXJOMBPZLV-GXFFZTMASA-N 0 3 325.275 3.953 20 30 EHEDHN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424194792 1028881240 /nfs/dbraw/zinc/88/12/40/1028881240.db2.gz SHLUOEOEJUHSGP-IINYFYTJSA-N 0 3 328.243 3.534 20 30 EHEDHN C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000154282378 1029083352 /nfs/dbraw/zinc/08/33/52/1029083352.db2.gz MYDIMPMSPVYFHL-HNNXBMFYSA-N 0 3 341.842 3.937 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCCCC(C)(C)C1 ZINC000446066953 1029360834 /nfs/dbraw/zinc/36/08/34/1029360834.db2.gz NLDRRXXSMGQTFT-KRWDZBQOSA-N 0 3 327.472 3.834 20 30 EHEDHN CC(C)(C#N)CCCCN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000278217244 1029693092 /nfs/dbraw/zinc/69/30/92/1029693092.db2.gz UECAKOGHWDOMAF-UHFFFAOYSA-N 0 3 340.471 3.687 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2Cl)N(C)C)cc1 ZINC000508705440 1029768196 /nfs/dbraw/zinc/76/81/96/1029768196.db2.gz CPJPWOFKJHKLRC-SFHVURJKSA-N 0 3 341.842 3.553 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(Cc1ccccc1F)C(C)C ZINC000525423120 1029848586 /nfs/dbraw/zinc/84/85/86/1029848586.db2.gz CVRUTAQDWDVDNO-UHFFFAOYSA-N 0 3 342.414 3.995 20 30 EHEDHN CC[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccsc1 ZINC000453198231 1029899856 /nfs/dbraw/zinc/89/98/56/1029899856.db2.gz PKYBHDIBMINXBP-MSOLQXFVSA-N 0 3 339.464 3.856 20 30 EHEDHN C=CCN(C)CCN(CC)Cc1csc(-c2ccccc2F)n1 ZINC000429712757 1029944590 /nfs/dbraw/zinc/94/45/90/1029944590.db2.gz CBIXUEZXEPWWRP-UHFFFAOYSA-N 0 3 333.476 3.889 20 30 EHEDHN CC[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000278339063 1030246676 /nfs/dbraw/zinc/24/66/76/1030246676.db2.gz XFFAEJKSROYQLX-VXKWHMMOSA-N 0 3 349.478 3.672 20 30 EHEDHN COC(=O)c1cccc(CN[C@H]2CCC[C@H]2c2ccccc2)c1C#N ZINC000526087637 1030410641 /nfs/dbraw/zinc/41/06/41/1030410641.db2.gz VRILSFXZBDEETF-PXNSSMCTSA-N 0 3 334.419 3.771 20 30 EHEDHN C=CCCn1cc(CNC23CCC(C(F)(F)F)(CC2)CC3)nn1 ZINC000668077779 1030558000 /nfs/dbraw/zinc/55/80/00/1030558000.db2.gz XORZXHFPLVVDCN-UHFFFAOYSA-N 0 3 328.382 3.599 20 30 EHEDHN COc1ccc(CN2CCS[C@H](C(C)C)C2)cc1OCCCC#N ZINC000093869317 1030688074 /nfs/dbraw/zinc/68/80/74/1030688074.db2.gz WDYIUMZMMGGLRE-IBGZPJMESA-N 0 3 348.512 3.951 20 30 EHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(Cl)cc1Br ZINC000527703738 1031138068 /nfs/dbraw/zinc/13/80/68/1031138068.db2.gz RZMMBAZJOQJQOV-QMTHXVAHSA-N 0 3 345.668 3.568 20 30 EHEDHN C=C(C)[C@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000583947558 1031187520 /nfs/dbraw/zinc/18/75/20/1031187520.db2.gz VOBKROIPEBTRGN-LPHOPBHVSA-N 0 3 335.369 3.914 20 30 EHEDHN C=CC[C@@H](C)NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000116927015 1031476192 /nfs/dbraw/zinc/47/61/92/1031476192.db2.gz FMXCZLSAAWZAHG-SNVBAGLBSA-N 0 3 348.321 3.599 20 30 EHEDHN CC(C)C[C@]1(CO)CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000475716302 1031480137 /nfs/dbraw/zinc/48/01/37/1031480137.db2.gz PSWRWQDLLGERBY-SFHVURJKSA-N 0 3 338.398 3.533 20 30 EHEDHN CC(C)C[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000475716301 1031480754 /nfs/dbraw/zinc/48/07/54/1031480754.db2.gz PSWRWQDLLGERBY-GOSISDBHSA-N 0 3 338.398 3.533 20 30 EHEDHN C=C(Br)CN[C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000161376565 1031506610 /nfs/dbraw/zinc/50/66/10/1031506610.db2.gz XCDMWOMSCOIBNF-CHWSQXEVSA-N 0 3 347.297 3.663 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000177762579 1031566256 /nfs/dbraw/zinc/56/62/56/1031566256.db2.gz BPUSBSWHJQIKNT-CYBMUJFWSA-N 0 3 342.420 3.918 20 30 EHEDHN C=CCN(CC(=O)NCc1cc(F)cc(F)c1)CC1CCCCC1 ZINC000484540903 1031701812 /nfs/dbraw/zinc/70/18/12/1031701812.db2.gz IMCJURSKTONWPH-UHFFFAOYSA-N 0 3 336.426 3.649 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000594428565 1033365441 /nfs/dbraw/zinc/36/54/41/1033365441.db2.gz ZHNOMJBTNIELHY-INIZCTEOSA-N 0 3 347.509 3.750 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000594430993 1033369460 /nfs/dbraw/zinc/36/94/60/1033369460.db2.gz FGJOMARUFFBXLW-ZDUSSCGKSA-N 0 3 328.441 3.523 20 30 EHEDHN Cc1c2ccccc2oc1[C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)C ZINC000594434711 1033372936 /nfs/dbraw/zinc/37/29/36/1033372936.db2.gz RWWBWQHWZJYPPW-AEFFLSMTSA-N 0 3 341.455 3.966 20 30 EHEDHN CC(C)(C)[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1F ZINC000594446329 1033378126 /nfs/dbraw/zinc/37/81/26/1033378126.db2.gz QSZXEZAKZPOQRL-HZPDHXFCSA-N 0 3 337.414 3.579 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000594445430 1033378744 /nfs/dbraw/zinc/37/87/44/1033378744.db2.gz FLBOMXYWBUKURP-INIZCTEOSA-N 0 3 333.863 3.637 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000594456847 1033381803 /nfs/dbraw/zinc/38/18/03/1033381803.db2.gz TVIZGSVKRHWNNV-SFTDATJTSA-N 0 3 347.462 3.868 20 30 EHEDHN C[C@@H](c1ccccc1Cl)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594426731 1033388568 /nfs/dbraw/zinc/38/85/68/1033388568.db2.gz GFTHNCNLMQKTKG-GUYCJALGSA-N 0 3 333.863 3.803 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000594425117 1033389557 /nfs/dbraw/zinc/38/95/57/1033389557.db2.gz KBJJZCRBRGWUFY-LJQANCHMSA-N 0 3 337.423 3.615 20 30 EHEDHN C[C@H](c1ccccc1Cl)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594426730 1033389759 /nfs/dbraw/zinc/38/97/59/1033389759.db2.gz GFTHNCNLMQKTKG-DYVFJYSZSA-N 0 3 333.863 3.803 20 30 EHEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(NC(N)=O)cc1 ZINC000594502787 1033404323 /nfs/dbraw/zinc/40/43/23/1033404323.db2.gz RRTFHVNSGLSRGG-CQSZACIVSA-N 0 3 336.439 3.829 20 30 EHEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCc3ccccc3NC2=O)cc1 ZINC000594511112 1033415466 /nfs/dbraw/zinc/41/54/66/1033415466.db2.gz RGZPAMAQZKAUQT-IBGZPJMESA-N 0 3 333.435 3.531 20 30 EHEDHN CCOC(=O)c1cc(CNC2(c3ccc(C#N)cc3)CCC2)[nH]c1C ZINC000594625266 1033465520 /nfs/dbraw/zinc/46/55/20/1033465520.db2.gz UTHBGCFLNKIOGY-UHFFFAOYSA-N 0 3 337.423 3.541 20 30 EHEDHN Cc1nsc(NC[C@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC000309675110 1033472217 /nfs/dbraw/zinc/47/22/17/1033472217.db2.gz VZBGPCNWIDXJLT-MRXNPFEDSA-N 0 3 326.469 3.647 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)OCC3(C)C)CC1 ZINC000529157311 1033508358 /nfs/dbraw/zinc/50/83/58/1033508358.db2.gz LSTHIXLGPAHOCO-UHFFFAOYSA-N 0 3 343.471 3.519 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3cc(C)ccc3nc2C)CC1 ZINC000106037710 1033529551 /nfs/dbraw/zinc/52/95/51/1033529551.db2.gz KIHINIMUBLIPOA-UHFFFAOYSA-N 0 3 337.467 3.622 20 30 EHEDHN N#CC1(c2ccc(CNCc3ccc(N4CCCC4)nc3)cc2)CC1 ZINC000594914181 1033542404 /nfs/dbraw/zinc/54/24/04/1033542404.db2.gz FACXFRMHGIWWCX-UHFFFAOYSA-N 0 3 332.451 3.527 20 30 EHEDHN CC(C)[C@H](C#N)N1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000595396753 1033777683 /nfs/dbraw/zinc/77/76/83/1033777683.db2.gz GITOQOOORNDVSP-NRSPTQNISA-N 0 3 325.500 3.736 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188095543 1033837597 /nfs/dbraw/zinc/83/75/97/1033837597.db2.gz MQHKVQWKXTWTHP-UHFFFAOYSA-N 0 3 333.435 3.599 20 30 EHEDHN COc1cc([C@@H](C)NCc2ccc(C)c(C#N)c2)cc(OC)c1OC ZINC000599350406 1033884892 /nfs/dbraw/zinc/88/48/92/1033884892.db2.gz RPZILFFIVTZWFS-CQSZACIVSA-N 0 3 340.423 3.743 20 30 EHEDHN CC[C@H](c1ccccc1)N(CC(=O)N[C@@](C)(C#N)C1CC1)C(C)C ZINC000595858538 1034010800 /nfs/dbraw/zinc/01/08/00/1034010800.db2.gz VJJOABFKWSHJTN-QUCCMNQESA-N 0 3 327.472 3.657 20 30 EHEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]2CCc2ccccc2)c1 ZINC000603895470 1034018160 /nfs/dbraw/zinc/01/81/60/1034018160.db2.gz DJAOWXGEQOHSCA-HXUWFJFHSA-N 0 3 333.435 3.594 20 30 EHEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583938 1034025070 /nfs/dbraw/zinc/02/50/70/1034025070.db2.gz SWOQNVLMBBUMLS-QAPCUYQASA-N 0 3 328.456 3.552 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599591218 1034029609 /nfs/dbraw/zinc/02/96/09/1034029609.db2.gz TXMMBPLMRRCZHB-MAUKXSAKSA-N 0 3 328.456 3.666 20 30 EHEDHN CC(C)c1cccc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000596055533 1034053820 /nfs/dbraw/zinc/05/38/20/1034053820.db2.gz WPQOOWHWJFFNRD-NRFANRHFSA-N 0 3 347.462 3.572 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)c1ccc2ccccc2c1 ZINC000599673733 1034079176 /nfs/dbraw/zinc/07/91/76/1034079176.db2.gz XGUTWYRQPXNYSY-INIZCTEOSA-N 0 3 337.467 3.673 20 30 EHEDHN Oc1ccccc1C=Nc1ccc(CCN2CCSCC2)cc1 ZINC000255676681 1034134165 /nfs/dbraw/zinc/13/41/65/1034134165.db2.gz KVGFGMOHAYJYLU-UHFFFAOYSA-N 0 3 326.465 3.734 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000593170348 1034193415 /nfs/dbraw/zinc/19/34/15/1034193415.db2.gz KTKAHCYWSIEOBJ-ZIAGYGMSSA-N 0 3 326.318 3.553 20 30 EHEDHN C=C[C@H](CO)N[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000658335243 1034204209 /nfs/dbraw/zinc/20/42/09/1034204209.db2.gz OXYSWPCWEHBNCY-PRHODGIISA-N 0 3 327.268 3.922 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ccc(C)o1 ZINC000604776387 1034489030 /nfs/dbraw/zinc/48/90/30/1034489030.db2.gz YJPJPSSKEAYFSA-OALUTQOASA-N 0 3 341.451 3.893 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000597157024 1034570179 /nfs/dbraw/zinc/57/01/79/1034570179.db2.gz DKRJEAKGBTUVFK-HRAATJIYSA-N 0 3 336.435 3.919 20 30 EHEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)CC(C)(C)C#N)CC1 ZINC000456785485 1034730366 /nfs/dbraw/zinc/73/03/66/1034730366.db2.gz DIXDDARGQQJJAC-UHFFFAOYSA-N 0 3 349.862 3.691 20 30 EHEDHN C=CCCCN(C)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000605740750 1034821735 /nfs/dbraw/zinc/82/17/35/1034821735.db2.gz XBYLRIFGUILQRH-LJQANCHMSA-N 0 3 328.481 3.852 20 30 EHEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000892497942 1034967161 /nfs/dbraw/zinc/96/71/61/1034967161.db2.gz AONJXVWTSAZPJT-LBPRGKRZSA-N 0 3 334.803 3.598 20 30 EHEDHN CN(c1ccccc1)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000065956053 1035008285 /nfs/dbraw/zinc/00/82/85/1035008285.db2.gz XKADVAMMSTXSHS-UHFFFAOYSA-N 0 3 335.451 3.538 20 30 EHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccccn1)c1ccc2ccccc2n1 ZINC000685783447 1035058188 /nfs/dbraw/zinc/05/81/88/1035058188.db2.gz WWRHGMBCBPHYQH-CQSZACIVSA-N 0 3 339.358 3.510 20 30 EHEDHN N#CCCCCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000588154868 1035729980 /nfs/dbraw/zinc/72/99/80/1035729980.db2.gz ZSECWLPSXCIZQI-IBGZPJMESA-N 0 3 327.472 3.631 20 30 EHEDHN CC(C)(C)c1ccc(C#N)c(N2CCN(C3CCCCC3)CC2)n1 ZINC000613429978 1035853005 /nfs/dbraw/zinc/85/30/05/1035853005.db2.gz YVBDBXCYNSHXSM-UHFFFAOYSA-N 0 3 326.488 3.705 20 30 EHEDHN CN(C)[C@H](CNc1nc2ccccn2c1C#N)c1ccc(Cl)cc1 ZINC000541113017 1036008240 /nfs/dbraw/zinc/00/82/40/1036008240.db2.gz KTHSJYCHVWNXSP-MRXNPFEDSA-N 0 3 339.830 3.574 20 30 EHEDHN N#CC(C(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129674283 1036407797 /nfs/dbraw/zinc/40/77/97/1036407797.db2.gz RMEVWKKYIWOBQI-PWSUYJOCSA-N 0 3 337.206 3.997 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN(C)C2CCCC2)ccc1Cl ZINC000193178174 1036591376 /nfs/dbraw/zinc/59/13/76/1036591376.db2.gz CWCNRIJWSZCPMQ-UHFFFAOYSA-N 0 3 333.863 3.770 20 30 EHEDHN COc1cccc(C2CCN(Cc3ccc(C#N)c(OC)c3)CC2)c1 ZINC000442894319 1036685146 /nfs/dbraw/zinc/68/51/46/1036685146.db2.gz YYAIHIXLBLBQCL-UHFFFAOYSA-N 0 3 336.435 3.955 20 30 EHEDHN CSc1ccc([C@H](CNC(=O)CCCCCC#N)N(C)C)cc1 ZINC000590532395 1036946965 /nfs/dbraw/zinc/94/69/65/1036946965.db2.gz RIQRIUKEAPEZDD-KRWDZBQOSA-N 0 3 333.501 3.601 20 30 EHEDHN CC[C@H](c1ccc(F)cc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428789761 1036949710 /nfs/dbraw/zinc/94/97/10/1036949710.db2.gz PDMVRRMQXGXQHT-ZWKOTPCHSA-N 0 3 325.387 3.697 20 30 EHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)c3cnc4n3CCC4)n2)cc1 ZINC000659041263 1036970783 /nfs/dbraw/zinc/97/07/83/1036970783.db2.gz GFJNIRBKDPYTDL-AWEZNQCLSA-N 0 3 348.431 3.751 20 30 EHEDHN CC[C@H](NCc1ccc(F)c(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000180621381 1037017251 /nfs/dbraw/zinc/01/72/51/1037017251.db2.gz FSYUJDMEOCKZOE-KRWDZBQOSA-N 0 3 326.371 3.709 20 30 EHEDHN N#CCC[C@H](NCCC(=O)Nc1ccccc1F)c1ccccc1 ZINC000591024872 1037207555 /nfs/dbraw/zinc/20/75/55/1037207555.db2.gz PNATYBCTOZBDST-KRWDZBQOSA-N 0 3 325.387 3.789 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H]3CCCC[C@H]3C2)c1C ZINC000177513986 1037565605 /nfs/dbraw/zinc/56/56/05/1037565605.db2.gz WGXWLIOVOBGAJL-OALUTQOASA-N 0 3 339.483 3.672 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c(C(F)(F)F)c1 ZINC000573500337 1037589854 /nfs/dbraw/zinc/58/98/54/1037589854.db2.gz QXSMXYVYGMQKFU-ZBFHGGJFSA-N 0 3 338.373 3.826 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000271931739 1037817650 /nfs/dbraw/zinc/81/76/50/1037817650.db2.gz IKADILTURGQKDV-OLZOCXBDSA-N 0 3 337.398 3.628 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000540325901 1037818348 /nfs/dbraw/zinc/81/83/48/1037818348.db2.gz IUZZJJIQCNEDQG-IRXDYDNUSA-N 0 3 330.472 3.714 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)C3(CCCCC3)C2)CC1 ZINC000463196583 1037859809 /nfs/dbraw/zinc/85/98/09/1037859809.db2.gz DJYHZEOEDYBJEM-QGZVFWFLSA-N 0 3 333.520 3.639 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000592291485 1037909335 /nfs/dbraw/zinc/90/93/35/1037909335.db2.gz DODOCZKTGLZJPM-UHFFFAOYSA-N 0 3 341.377 3.867 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2csc3ccccc23)CC1 ZINC000592293833 1037909612 /nfs/dbraw/zinc/90/96/12/1037909612.db2.gz KOWRXFYWVPDRTB-UHFFFAOYSA-N 0 3 343.496 3.741 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000492128297 1038010350 /nfs/dbraw/zinc/01/03/50/1038010350.db2.gz AFCAUZZYNQDMIK-DOTOQJQBSA-N 0 3 343.471 3.856 20 30 EHEDHN C=CCC[C@@H](C(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000470178938 1038568425 /nfs/dbraw/zinc/56/84/25/1038568425.db2.gz PXTQARQXZMJZGI-VQTJNVASSA-N 0 3 326.484 3.870 20 30 EHEDHN C[C@H](C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1cccc(C#N)c1 ZINC000461934083 1038682540 /nfs/dbraw/zinc/68/25/40/1038682540.db2.gz YLDAGAQBMNOIOV-FIKGOQFSSA-N 0 3 347.462 3.613 20 30 EHEDHN C=CCCNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000667210361 1038714330 /nfs/dbraw/zinc/71/43/30/1038714330.db2.gz ZLYQLCRTUMRKQW-UHFFFAOYSA-N 0 3 337.851 3.511 20 30 EHEDHN COc1ccc(CNCCc2cccc(C#N)c2)c(Br)c1 ZINC000512370344 1038893140 /nfs/dbraw/zinc/89/31/40/1038893140.db2.gz PKKQHIOTNCASFD-UHFFFAOYSA-N 0 3 345.240 3.662 20 30 EHEDHN C=C(C)CNC(=S)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000905597209 1038979725 /nfs/dbraw/zinc/97/97/25/1038979725.db2.gz QHGGBFBNRFTIGM-UHFFFAOYSA-N 0 3 331.407 3.630 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(C(C)(C)C)cs2)CC1 ZINC000552912781 1039615026 /nfs/dbraw/zinc/61/50/26/1039615026.db2.gz CIXNEPFWKIDMAQ-UHFFFAOYSA-N 0 3 336.505 3.603 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000911993903 1039626174 /nfs/dbraw/zinc/62/61/74/1039626174.db2.gz WSYIICCOBQYYCY-MRXNPFEDSA-N 0 3 349.475 3.670 20 30 EHEDHN Cc1ccc(OCCN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000728929819 1039731087 /nfs/dbraw/zinc/73/10/87/1039731087.db2.gz ZEFYBJVTATYLFK-UHFFFAOYSA-N 0 3 336.435 3.789 20 30 EHEDHN Cc1ccsc1CCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000129418421 1039853934 /nfs/dbraw/zinc/85/39/34/1039853934.db2.gz BEZWACFPBZYVGN-HNNXBMFYSA-N 0 3 326.421 3.727 20 30 EHEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC)c1ccccc1OC(F)F ZINC000912390274 1039864070 /nfs/dbraw/zinc/86/40/70/1039864070.db2.gz IUAVPOKUSPNHMS-ZIAGYGMSSA-N 0 3 326.387 3.539 20 30 EHEDHN C=CCOc1c(Cl)cc(CN2CC[C@H](CO)[C@H]2CC)cc1OC ZINC000628298186 1039908872 /nfs/dbraw/zinc/90/88/72/1039908872.db2.gz XIFVEGZSRADOIL-GDBMZVCRSA-N 0 3 339.863 3.506 20 30 EHEDHN C=CCC(C)(C)CNCc1ccc(OC)c(O)c1Br ZINC000549832719 1040012618 /nfs/dbraw/zinc/01/26/18/1040012618.db2.gz DIOKGHMVCQUSTR-UHFFFAOYSA-N 0 3 328.250 3.855 20 30 EHEDHN C=CCC(C)(C)C[NH2+]Cc1ccc(OC)c([O-])c1Br ZINC000549832719 1040012633 /nfs/dbraw/zinc/01/26/33/1040012633.db2.gz DIOKGHMVCQUSTR-UHFFFAOYSA-N 0 3 328.250 3.855 20 30 EHEDHN C=CCC[C@H](NC[C@]1(COC)OCCc2ccccc21)c1ccco1 ZINC000554994190 1040027435 /nfs/dbraw/zinc/02/74/35/1040027435.db2.gz KKFFFBQEXUJMTB-PZJWPPBQSA-N 0 3 341.451 3.991 20 30 EHEDHN N#Cc1ccc(CNCCNc2cccc(Br)c2)c(F)c1 ZINC000486503394 1040195191 /nfs/dbraw/zinc/19/51/91/1040195191.db2.gz IGDWKMWRWNHWOY-UHFFFAOYSA-N 0 3 348.219 3.662 20 30 EHEDHN C[C@H](CC(C)(C)C#N)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000924726050 1040533572 /nfs/dbraw/zinc/53/35/72/1040533572.db2.gz IREMMNPSFYNPQT-OAHLLOKOSA-N 0 3 336.439 3.752 20 30 EHEDHN N#CCCC[C@H](NCC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000433036961 1040539854 /nfs/dbraw/zinc/53/98/54/1040539854.db2.gz AUCWJZHQVFYTTG-KRWDZBQOSA-N 0 3 343.377 3.928 20 30 EHEDHN COc1ccc([C@H]2CCN(Cc3ccc(C#N)c(OC)c3)C2)cc1F ZINC000600213432 1040831937 /nfs/dbraw/zinc/83/19/37/1040831937.db2.gz FINLCPRWIKXMKO-KRWDZBQOSA-N 0 3 340.398 3.704 20 30 EHEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000163654741 1040981374 /nfs/dbraw/zinc/98/13/74/1040981374.db2.gz PIRZMCWYMGDAQY-KGLIPLIRSA-N 0 3 338.879 3.772 20 30 EHEDHN Cn1cc(CNCc2ccc3occc3c2)c(-c2ccc(C#N)cc2)n1 ZINC000586778833 1041017149 /nfs/dbraw/zinc/01/71/49/1041017149.db2.gz PFCFCDMAUKYYCZ-UHFFFAOYSA-N 0 3 342.402 3.995 20 30 EHEDHN C/C(=C/c1ccccc1)CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000500395365 1041329621 /nfs/dbraw/zinc/32/96/21/1041329621.db2.gz HAUSKDMIOAVSAZ-RUDRXDDOSA-N 0 3 345.446 3.747 20 30 EHEDHN C=CCN(CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)C(C)(C)C ZINC000661754927 1042307927 /nfs/dbraw/zinc/30/79/27/1042307927.db2.gz HJTSINJLKINHSA-LJQANCHMSA-N 0 3 330.472 3.549 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000662083279 1042501887 /nfs/dbraw/zinc/50/18/87/1042501887.db2.gz BAEBSLZJLRMSRT-CWRNSKLLSA-N 0 3 334.410 3.667 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C2CC2)C1 ZINC000344085575 1043223629 /nfs/dbraw/zinc/22/36/29/1043223629.db2.gz HMMAZRVDOCNWPD-NVXWUHKLSA-N 0 3 343.446 3.583 20 30 EHEDHN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(C#N)c1 ZINC000344312722 1043649984 /nfs/dbraw/zinc/64/99/84/1043649984.db2.gz XRWWUBAVBMYRLE-CJNGLKHVSA-N 0 3 339.826 3.668 20 30 EHEDHN N#CCCCNCc1cnc(-c2ccc(Br)cc2)s1 ZINC000344322151 1043660889 /nfs/dbraw/zinc/66/08/89/1043660889.db2.gz GWLTVJOYDWRTGD-UHFFFAOYSA-N 0 3 336.258 3.966 20 30 EHEDHN OCC[C@H]1CCCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000671248169 1126818207 /nfs/dbraw/zinc/81/82/07/1126818207.db2.gz QNGVMJQVPRZRNQ-MRXNPFEDSA-N 0 3 341.373 3.564 20 30 EHEDHN C#CCN(C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1)C1CC1 ZINC000763960420 1126987588 /nfs/dbraw/zinc/98/75/88/1126987588.db2.gz NWQZRDWPBZPGBW-GOTSBHOMSA-N 0 3 349.474 3.560 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccnc(OCC(F)(F)F)c1 ZINC000921529029 1127670408 /nfs/dbraw/zinc/67/04/08/1127670408.db2.gz CIHGSVVCFNHXIF-UHFFFAOYSA-N 0 3 349.356 3.801 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000671704364 1128020142 /nfs/dbraw/zinc/02/01/42/1128020142.db2.gz XDABSMHSYYAGOU-UHFFFAOYSA-N 0 3 332.391 3.537 20 30 EHEDHN CC1(C)CN(c2ccc(Cl)c(C#N)n2)CCN1Cc1ccccc1 ZINC000301191501 1128578296 /nfs/dbraw/zinc/57/82/96/1128578296.db2.gz ZLXBILFJQNECAI-UHFFFAOYSA-N 0 3 340.858 3.707 20 30 EHEDHN COc1ccccc1[C@@H](CNc1ccc(C#N)cc1F)N1CCCC1 ZINC000301520568 1128594936 /nfs/dbraw/zinc/59/49/36/1128594936.db2.gz LBTPTKHFROHIBV-LJQANCHMSA-N 0 3 339.414 3.955 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC000302184087 1128624628 /nfs/dbraw/zinc/62/46/28/1128624628.db2.gz SGIFSELYVKKBCE-SUMWQHHRSA-N 0 3 326.831 3.539 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000302184548 1128625320 /nfs/dbraw/zinc/62/53/20/1128625320.db2.gz SUNDCCRHMDMSAV-QVKFZJNVSA-N 0 3 333.435 3.693 20 30 EHEDHN N#Cc1ccc(OCCN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554846608 1128716515 /nfs/dbraw/zinc/71/65/15/1128716515.db2.gz DKJUCUZSPDGUOE-INIZCTEOSA-N 0 3 338.373 3.992 20 30 EHEDHN CC1(C)CN(Cc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000112556462 1128929321 /nfs/dbraw/zinc/92/93/21/1128929321.db2.gz COXKKNFXLKLAHJ-UHFFFAOYSA-N 0 3 337.442 3.794 20 30 EHEDHN N#Cc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1F ZINC000192117499 1120715256 /nfs/dbraw/zinc/71/52/56/1120715256.db2.gz IZLZBFMKOJWBHN-UHFFFAOYSA-N 0 3 328.362 3.632 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)C/C(C)=C\c2ccccc2)CC1 ZINC000494810732 1120852321 /nfs/dbraw/zinc/85/23/21/1120852321.db2.gz NGQZHVURDCJQCA-JXAWBTAJSA-N 0 3 341.499 3.772 20 30 EHEDHN C=CCN1CCC(NC(=O)C/C=C/c2ccc(C(C)C)cc2)CC1 ZINC000495144289 1120968603 /nfs/dbraw/zinc/96/86/03/1120968603.db2.gz CIYPTIMRWFTVCW-AATRIKPKSA-N 0 3 326.484 3.980 20 30 EHEDHN Cc1ccc2ncc(C#N)c(NC[C@H](c3ccco3)N3CCCC3)c2c1 ZINC000487915411 1121226839 /nfs/dbraw/zinc/22/68/39/1121226839.db2.gz RNRVEYVNAGCQIN-LJQANCHMSA-N 0 3 346.434 3.679 20 30 EHEDHN C=CCN1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000171725125 1121516707 /nfs/dbraw/zinc/51/67/07/1121516707.db2.gz NGAIRQWRPCUTBS-UHFFFAOYSA-N 0 3 334.463 3.585 20 30 EHEDHN N#Cc1cccc(-c2nnc(CN[C@@H](Cc3ccccc3)C3CC3)o2)c1 ZINC000347678031 1128993212 /nfs/dbraw/zinc/99/32/12/1128993212.db2.gz ROQSVYQLGSGXBA-IBGZPJMESA-N 0 3 344.418 3.719 20 30 EHEDHN CN(CCSc1cc(C#N)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000193743977 1121602883 /nfs/dbraw/zinc/60/28/83/1121602883.db2.gz OBTNZBBFJDYUMZ-UHFFFAOYSA-N 0 3 327.409 3.691 20 30 EHEDHN CN(CCSc1ccc(C#N)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000193744162 1121602958 /nfs/dbraw/zinc/60/29/58/1121602958.db2.gz XMMAQHNMNANLET-UHFFFAOYSA-N 0 3 327.409 3.691 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000171734671 1121651388 /nfs/dbraw/zinc/65/13/88/1121651388.db2.gz ICGVKPHUKMWHLD-LJQANCHMSA-N 0 3 345.462 3.617 20 30 EHEDHN Cc1cc(C)cc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000107071710 1121893319 /nfs/dbraw/zinc/89/33/19/1121893319.db2.gz TUNNAHMSBZALCC-SJORKVTESA-N 0 3 327.472 3.685 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN2CCC(OCC3CCCCC3)CC2)cc1 ZINC000763242919 1121918156 /nfs/dbraw/zinc/91/81/56/1121918156.db2.gz YDUYBIFSYYMPEJ-NRFANRHFSA-N 0 3 342.483 3.653 20 30 EHEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000064637386 1122318477 /nfs/dbraw/zinc/31/84/77/1122318477.db2.gz ADUONHYBEGFUTH-IRLDBZIGSA-N 0 3 347.462 3.785 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1ccsc1 ZINC000917057578 1122457107 /nfs/dbraw/zinc/45/71/07/1122457107.db2.gz GOQFAQZAFJUPBY-CYBMUJFWSA-N 0 3 341.461 3.666 20 30 EHEDHN C[C@@H](C1CC1)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100135 1122499243 /nfs/dbraw/zinc/49/92/43/1122499243.db2.gz JJESVWDJTQLPSO-SWLSCSKDSA-N 0 3 339.464 3.735 20 30 EHEDHN C=C(C)CN(C)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000497662095 1122624571 /nfs/dbraw/zinc/62/45/71/1122624571.db2.gz YYGHRYLKECLZHG-IBGZPJMESA-N 0 3 343.515 3.677 20 30 EHEDHN C=CCN1CC[C@@H](N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O ZINC000499602950 1129069335 /nfs/dbraw/zinc/06/93/35/1129069335.db2.gz PNFWHGFWRRLLPM-CVEARBPZSA-N 0 3 340.389 3.779 20 30 EHEDHN C=CCN1CC[C@@H](N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O ZINC000499602952 1129069513 /nfs/dbraw/zinc/06/95/13/1129069513.db2.gz PNFWHGFWRRLLPM-HZPDHXFCSA-N 0 3 340.389 3.779 20 30 EHEDHN Cc1cc2occ(CC(=O)C(C#N)C(=O)NC(C)C)c2cc1C(C)C ZINC000130601703 1122867961 /nfs/dbraw/zinc/86/79/61/1122867961.db2.gz XAQSSSFIPFBSAS-KRWDZBQOSA-N 0 3 340.423 3.641 20 30 EHEDHN C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000556629013 1123065343 /nfs/dbraw/zinc/06/53/43/1123065343.db2.gz NLQZDJINRMSGKQ-VQIMIIECSA-N 0 3 330.435 3.974 20 30 EHEDHN CC(C)Cc1ccc(CCCC(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000155069615 1123138159 /nfs/dbraw/zinc/13/81/59/1123138159.db2.gz NBOAAPLCCUSPNS-IBGZPJMESA-N 0 3 340.467 3.539 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)C(C)(C)c2ccccc2)CC1 ZINC000074132409 1123254637 /nfs/dbraw/zinc/25/46/37/1123254637.db2.gz ZFZHDIXJWMUHPC-IBGZPJMESA-N 0 3 343.515 3.692 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H](C)OCC(C)C)cc1 ZINC000920791701 1123424455 /nfs/dbraw/zinc/42/44/55/1123424455.db2.gz CYBFZYMGNYPACK-RLFYNMQTSA-N 0 3 344.455 3.909 20 30 EHEDHN C=C(C)COCCNCc1cc2ccccc2nc1N1CCCCC1 ZINC000134506234 1123528325 /nfs/dbraw/zinc/52/83/25/1123528325.db2.gz YOAQCLGFGARJKS-UHFFFAOYSA-N 0 3 339.483 3.907 20 30 EHEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000135470078 1123619415 /nfs/dbraw/zinc/61/94/15/1123619415.db2.gz VRJKCCOEFXGECG-FQEVSTJZSA-N 0 3 329.488 3.678 20 30 EHEDHN Fc1ccc(C#CCN2CCC(CCCn3ccnc3)CC2)cc1 ZINC000543061299 1129174827 /nfs/dbraw/zinc/17/48/27/1129174827.db2.gz HSHPFLNDXOKQPD-UHFFFAOYSA-N 0 3 325.431 3.566 20 30 EHEDHN COC(=O)c1cccc(CN[C@H]2CCC[C@H]2Cc2ccccc2)c1C#N ZINC000617227637 1124462266 /nfs/dbraw/zinc/46/22/66/1124462266.db2.gz FYYOTGSWWPJEHX-UWJYYQICSA-N 0 3 348.446 3.846 20 30 EHEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)c1C#N ZINC000617227635 1124462767 /nfs/dbraw/zinc/46/27/67/1124462767.db2.gz FYYOTGSWWPJEHX-LAUBAEHRSA-N 0 3 348.446 3.846 20 30 EHEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)Nc1ccc(Cl)cc1 ZINC000181010475 1124479724 /nfs/dbraw/zinc/47/97/24/1124479724.db2.gz FFITYAUDWOGHSZ-ZDUSSCGKSA-N 0 3 348.736 3.508 20 30 EHEDHN COc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2n1 ZINC000181827711 1125055925 /nfs/dbraw/zinc/05/59/25/1125055925.db2.gz IJFJRQGPLKTIDB-OAHLLOKOSA-N 0 3 347.418 3.997 20 30 EHEDHN C=CCc1cc(CN2CCC(C3CCOCC3)CC2)cc(OC)c1O ZINC000093705014 1125291553 /nfs/dbraw/zinc/29/15/53/1125291553.db2.gz FMVCFOBVDIXWGO-UHFFFAOYSA-N 0 3 345.483 3.768 20 30 EHEDHN N#Cc1cccc(CNCc2ccc(OCc3ccncc3)cc2)c1 ZINC000066971958 1129230602 /nfs/dbraw/zinc/23/06/02/1129230602.db2.gz AREZWAWKTSESDE-UHFFFAOYSA-N 0 3 329.403 3.822 20 30 EHEDHN Cc1ccc(NC(=O)C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)nc1 ZINC000118394185 1129507643 /nfs/dbraw/zinc/50/76/43/1129507643.db2.gz GLCFJEUCXBROJF-MRXNPFEDSA-N 0 3 348.450 3.673 20 30 EHEDHN CC(C)N(CC(=O)NC1(C#N)CCCCC1)[C@H](C)c1ccccc1 ZINC000428860665 1129542878 /nfs/dbraw/zinc/54/28/78/1129542878.db2.gz HKUINJBNHVRDFR-QGZVFWFLSA-N 0 3 327.472 3.801 20 30 EHEDHN N#Cc1ccc(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000171127627 1130014823 /nfs/dbraw/zinc/01/48/23/1130014823.db2.gz PUGZRFNMHQAILU-IBGZPJMESA-N 0 3 339.826 3.891 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000171738393 1130083442 /nfs/dbraw/zinc/08/34/42/1130083442.db2.gz BIEKWPWLZMQIQH-UHFFFAOYSA-N 0 3 343.471 3.780 20 30 EHEDHN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(OCC#N)cc1)CCC2 ZINC000732214984 1130899295 /nfs/dbraw/zinc/89/92/95/1130899295.db2.gz ZIZWAKBLICOZCL-QGZVFWFLSA-N 0 3 327.453 3.863 20 30 EHEDHN Cc1cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)ccc1F ZINC001172971456 1131921133 /nfs/dbraw/zinc/92/11/33/1131921133.db2.gz PSZSOEMAEJEGHX-CVEARBPZSA-N 0 3 347.434 3.515 20 30 EHEDHN C[C@@H]1CC[C@@H](N(C)Cc2cccc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001173077419 1131957034 /nfs/dbraw/zinc/95/70/34/1131957034.db2.gz QQQOCVBRLLCKRZ-CRAIPNDOSA-N 0 3 343.471 3.778 20 30 EHEDHN N#CC1(c2ccccc2F)CCN([C@H]2CCc3ncsc3C2)CC1 ZINC001173147159 1131983994 /nfs/dbraw/zinc/98/39/94/1131983994.db2.gz LUSRORAFUYRSCN-AWEZNQCLSA-N 0 3 341.455 3.697 20 30 EHEDHN CC(C)(C)OC(=O)N1CCN(C2CCC(C)(C#N)CC2)CC12CC2 ZINC001173599154 1132101948 /nfs/dbraw/zinc/10/19/48/1132101948.db2.gz GYQMKZDQEHRWLS-UHFFFAOYSA-N 0 3 333.476 3.544 20 30 EHEDHN N#Cc1cn(C2=CCCN(Cc3ccccc3)C2)c2cc(N)ccc12 ZINC001174395205 1132331980 /nfs/dbraw/zinc/33/19/80/1132331980.db2.gz UNVSFVIUGNNOBG-UHFFFAOYSA-N 0 3 328.419 3.842 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C)[C@H](C)C2)cc1 ZINC000766989269 1132921963 /nfs/dbraw/zinc/92/19/63/1132921963.db2.gz UFEBFHNFEMXWLC-KSZLIROESA-N 0 3 327.472 3.608 20 30 EHEDHN COc1ccc(CNCc2ccc(C)c(Br)c2)cc1C#N ZINC000767394056 1132996095 /nfs/dbraw/zinc/99/60/95/1132996095.db2.gz YBSCUXCMWLMFHQ-UHFFFAOYSA-N 0 3 345.240 3.928 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1cnc(-c2ccccc2)cn1 ZINC001177905341 1133110950 /nfs/dbraw/zinc/11/09/50/1133110950.db2.gz YMEMXPYIYZBBOF-AWEZNQCLSA-N 0 3 334.404 3.526 20 30 EHEDHN Cc1cc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)o1 ZINC000769233339 1133248241 /nfs/dbraw/zinc/24/82/41/1133248241.db2.gz RSHRPPZLXYFVOW-UHFFFAOYSA-N 0 3 337.423 3.619 20 30 EHEDHN C[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C ZINC000769770981 1133339495 /nfs/dbraw/zinc/33/94/95/1133339495.db2.gz QCDGDUSAFYXDSQ-IBGZPJMESA-N 0 3 333.479 3.522 20 30 EHEDHN C[C@H]1Cc2cc(CN(C)CCOCc3ccc(C#N)cc3)ccc2O1 ZINC001182140857 1133577686 /nfs/dbraw/zinc/57/76/86/1133577686.db2.gz RAZPVMAGSBFKAX-INIZCTEOSA-N 0 3 336.435 3.530 20 30 EHEDHN N#Cc1cc(F)ccc1COC(=O)c1cccc(CN2CCCC2)c1 ZINC000785717725 1133747119 /nfs/dbraw/zinc/74/71/19/1133747119.db2.gz RPFXWUXHAYPJMR-UHFFFAOYSA-N 0 3 338.382 3.650 20 30 EHEDHN CC(C)NC(=O)OC[C@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC001170050783 1133755814 /nfs/dbraw/zinc/75/58/14/1133755814.db2.gz DNQLBKLOZMGHAR-QGZVFWFLSA-N 0 3 335.492 3.840 20 30 EHEDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1cccc(C#N)c1F ZINC000774682336 1133858122 /nfs/dbraw/zinc/85/81/22/1133858122.db2.gz XEGNIPPVMJSMMW-LJQANCHMSA-N 0 3 349.450 3.726 20 30 EHEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786532880 1133861814 /nfs/dbraw/zinc/86/18/14/1133861814.db2.gz CAVASSNDYXLMSF-CXAGYDPISA-N 0 3 346.858 3.881 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCSC(C)(C)C)c1 ZINC000786552547 1133873264 /nfs/dbraw/zinc/87/32/64/1133873264.db2.gz NOVMLWBQVJUKHV-MRXNPFEDSA-N 0 3 346.496 3.632 20 30 EHEDHN CC(C)(C)CCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786572741 1133875409 /nfs/dbraw/zinc/87/54/09/1133875409.db2.gz ZWEXMMSOWNGSMJ-CYBMUJFWSA-N 0 3 336.382 3.506 20 30 EHEDHN CCCCN(CC#N)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184404897 1133935944 /nfs/dbraw/zinc/93/59/44/1133935944.db2.gz XGHPYYZMLDPWEZ-QGZVFWFLSA-N 0 3 347.890 3.704 20 30 EHEDHN C[C@@H](NC[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(C#N)cc1F ZINC000787026171 1133939200 /nfs/dbraw/zinc/93/92/00/1133939200.db2.gz NCKLCCAWFNPGGI-BMLIUANNSA-N 0 3 336.769 3.874 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000787040653 1133941707 /nfs/dbraw/zinc/94/17/07/1133941707.db2.gz MDAJDMROSSFFFT-XIRDDKMYSA-N 0 3 338.407 3.668 20 30 EHEDHN CC[C@H]1CC[C@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)CC1 ZINC000787066907 1133945452 /nfs/dbraw/zinc/94/54/52/1133945452.db2.gz GUEUGLLFHGNGEX-KBAYOESNSA-N 0 3 326.440 3.570 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1(C)CCCCC1 ZINC000787073792 1133945934 /nfs/dbraw/zinc/94/59/34/1133945934.db2.gz RGSXCFIUODUNRI-KRWDZBQOSA-N 0 3 326.440 3.714 20 30 EHEDHN Cc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1C#N ZINC000774885620 1134090090 /nfs/dbraw/zinc/09/00/90/1134090090.db2.gz CQOCHJLXNNQUMJ-CRAIPNDOSA-N 0 3 343.471 3.602 20 30 EHEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NN[C@H](CO)c1ccccc1 ZINC000788457301 1134127042 /nfs/dbraw/zinc/12/70/42/1134127042.db2.gz JGFBKRQTTDQQAJ-CEHIZSKQSA-N 0 3 335.451 3.607 20 30 EHEDHN C#CCN(CCC(=O)Nc1ccc(OCC)cc1)Cc1ccccc1 ZINC001170093531 1134194181 /nfs/dbraw/zinc/19/41/81/1134194181.db2.gz BAYQKWCTOFHCMA-UHFFFAOYSA-N 0 3 336.435 3.549 20 30 EHEDHN C[C@H]1CC(N=Nc2ccc3c(cc[nH]c3=O)c2)CN1Cc1ccccc1 ZINC000789071801 1134216712 /nfs/dbraw/zinc/21/67/12/1134216712.db2.gz XBNLLTNJWAHACS-HNNXBMFYSA-N 0 3 346.434 3.590 20 30 EHEDHN Cc1cc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)ccc1C#N ZINC000775097248 1134307123 /nfs/dbraw/zinc/30/71/23/1134307123.db2.gz IPIRYSJBZXVJER-UHFFFAOYSA-N 0 3 343.471 3.746 20 30 EHEDHN C#CCOc1ccccc1CN1CCC(CO)(Cc2ccccc2)CC1 ZINC000775194741 1134502232 /nfs/dbraw/zinc/50/22/32/1134502232.db2.gz XRHCTRRYLIBUDJ-UHFFFAOYSA-N 0 3 349.474 3.516 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)Cc1ccc(C)o1 ZINC000775226764 1134549578 /nfs/dbraw/zinc/54/95/78/1134549578.db2.gz JPYKJKGCMZWELB-KRWDZBQOSA-N 0 3 338.407 3.603 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000791566977 1134575374 /nfs/dbraw/zinc/57/53/74/1134575374.db2.gz UOVKSKQNDCYNBE-IBGZPJMESA-N 0 3 326.396 3.707 20 30 EHEDHN CC(C)(C)c1ccccc1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001189571719 1134601882 /nfs/dbraw/zinc/60/18/82/1134601882.db2.gz LUBZFRHEHQYCBY-HNNXBMFYSA-N 0 3 330.453 3.790 20 30 EHEDHN C=CCC1(S(=O)(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC001190805345 1134752798 /nfs/dbraw/zinc/75/27/98/1134752798.db2.gz IBKYVUOBGFDSOQ-UHFFFAOYSA-N 0 3 334.485 3.523 20 30 EHEDHN Cc1ccn2c(c1)nnc2CNC1CCC(C#N)(c2ccccc2)CC1 ZINC001170359999 1134755744 /nfs/dbraw/zinc/75/57/44/1134755744.db2.gz LWLHQWOJPRYGCB-UHFFFAOYSA-N 0 3 345.450 3.532 20 30 EHEDHN CC[C@@H]1CN(CC#Cc2ccc(F)cc2)CCN1Cc1ccccc1 ZINC001193208111 1135114167 /nfs/dbraw/zinc/11/41/67/1135114167.db2.gz AGZQSICGTHXZGG-JOCHJYFZSA-N 0 3 336.454 3.774 20 30 EHEDHN C[C@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1Cl ZINC001194633364 1135294665 /nfs/dbraw/zinc/29/46/65/1135294665.db2.gz SFGUKYJQKTYRNU-ZDUSSCGKSA-N 0 3 327.815 3.891 20 30 EHEDHN N#Cc1ccc(NC(=O)CN2CCCC[C@@H]2C2CCC2)cc1Cl ZINC001195825750 1135477735 /nfs/dbraw/zinc/47/77/35/1135477735.db2.gz PWRHTSXMHINXKZ-QGZVFWFLSA-N 0 3 331.847 3.805 20 30 EHEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC001195947134 1135498600 /nfs/dbraw/zinc/49/86/00/1135498600.db2.gz QOTPSBKFZDXCMI-ZWKOTPCHSA-N 0 3 341.499 3.902 20 30 EHEDHN C#CCC1(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CCCCC1 ZINC000807682380 1135561509 /nfs/dbraw/zinc/56/15/09/1135561509.db2.gz RJRFTKVZXFWYED-DLBZAZTESA-N 0 3 330.472 3.799 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCCC[C@H](C)C2)cc1 ZINC000775733128 1135591961 /nfs/dbraw/zinc/59/19/61/1135591961.db2.gz YQYBALHUPYABCH-ZWKOTPCHSA-N 0 3 327.472 3.752 20 30 EHEDHN C[C@H]1CCCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000775732912 1135592314 /nfs/dbraw/zinc/59/23/14/1135592314.db2.gz XQBQUNWMWPVLRB-UONOGXRCSA-N 0 3 327.453 3.595 20 30 EHEDHN C#CCCOc1ccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000808425470 1135660375 /nfs/dbraw/zinc/66/03/75/1135660375.db2.gz FWZSOPGIAPBUJN-NRFANRHFSA-N 0 3 340.442 3.620 20 30 EHEDHN C#CCCOc1ccc(CN[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000808425473 1135660422 /nfs/dbraw/zinc/66/04/22/1135660422.db2.gz FWZSOPGIAPBUJN-OAQYLSRUSA-N 0 3 340.442 3.620 20 30 EHEDHN CCc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1C#N ZINC001197293554 1135674832 /nfs/dbraw/zinc/67/48/32/1135674832.db2.gz FZQRUMVUNMVMBP-NRFANRHFSA-N 0 3 347.462 3.515 20 30 EHEDHN CCN(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C1CCCC1 ZINC000747524802 1135721181 /nfs/dbraw/zinc/72/11/81/1135721181.db2.gz RKGZNCLXDJVRPY-UHFFFAOYSA-N 0 3 327.472 3.815 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000809612710 1135857929 /nfs/dbraw/zinc/85/79/29/1135857929.db2.gz XHSBFKRRZLBMTQ-UHFFFAOYSA-N 0 3 341.414 3.605 20 30 EHEDHN CN(C)[C@H](CNc1ccnc(CC#N)c1)c1ccc(Cl)cc1Cl ZINC001170590466 1135905769 /nfs/dbraw/zinc/90/57/69/1135905769.db2.gz UQIRMHLORRKUAV-QGZVFWFLSA-N 0 3 349.265 3.591 20 30 EHEDHN C[C@](C#N)(NC(=O)CN[C@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000776008176 1135919543 /nfs/dbraw/zinc/91/95/43/1135919543.db2.gz UVTZSWOSHTUGPE-NHCUHLMSSA-N 0 3 339.483 3.706 20 30 EHEDHN C=CCc1cc(CNCc2cccc(OC)c2)cc(OC)c1OC ZINC000105478321 1135948380 /nfs/dbraw/zinc/94/83/80/1135948380.db2.gz JVQDNTODIUHNPE-UHFFFAOYSA-N 0 3 327.424 3.731 20 30 EHEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(OCC(F)(F)F)cc1 ZINC000776179531 1136016689 /nfs/dbraw/zinc/01/66/89/1136016689.db2.gz AQKMTRUQNDSMPD-UHFFFAOYSA-N 0 3 338.333 3.535 20 30 EHEDHN CCCCCCCCCCS(=O)(=O)N(C)CC1CCN(C)CC1 ZINC001201836445 1136068788 /nfs/dbraw/zinc/06/87/88/1136068788.db2.gz GYOSKSJNMDILIK-UHFFFAOYSA-N 0 3 346.581 3.731 20 30 EHEDHN C=CCc1c(Cl)ncnc1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001170679004 1136218849 /nfs/dbraw/zinc/21/88/49/1136218849.db2.gz MLGWCHIJTPWXBL-LBPRGKRZSA-N 0 3 339.830 3.731 20 30 EHEDHN CC(C)[C@H](O)[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 ZINC000850394893 1136248527 /nfs/dbraw/zinc/24/85/27/1136248527.db2.gz HOKUOSKYSQHZNE-HBGVWJBISA-N 0 3 338.451 3.825 20 30 EHEDHN C#C[C@H](N[C@@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000812793611 1136251135 /nfs/dbraw/zinc/25/11/35/1136251135.db2.gz ZPWWTYBWRBJZAW-KSSFIOAISA-N 0 3 327.399 3.738 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000851641134 1136398404 /nfs/dbraw/zinc/39/84/04/1136398404.db2.gz KNNKMVBJHAKMOA-FVQBIDKESA-N 0 3 335.879 3.684 20 30 EHEDHN N#CCCC[C@@H](NCc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC000814305342 1136435426 /nfs/dbraw/zinc/43/54/26/1136435426.db2.gz ZTXMFKASJWIUGU-LJQANCHMSA-N 0 3 331.423 3.792 20 30 EHEDHN C=CC[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000852411966 1136454921 /nfs/dbraw/zinc/45/49/21/1136454921.db2.gz XENYYPBQGOWFON-GJZGRUSLSA-N 0 3 339.464 3.761 20 30 EHEDHN CC(C)(C)OC(=O)NCC12CC(C1)CN2CCC1(C#N)CCCCC1 ZINC000852525706 1136462751 /nfs/dbraw/zinc/46/27/51/1136462751.db2.gz IXTIOFGSDBMCFZ-UHFFFAOYSA-N 0 3 347.503 3.840 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000815153564 1136558022 /nfs/dbraw/zinc/55/80/22/1136558022.db2.gz RGNCXGWWUKPOPN-UHFFFAOYSA-N 0 3 335.325 3.729 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000776787960 1136665919 /nfs/dbraw/zinc/66/59/19/1136665919.db2.gz YIRAFIYRVLRTQL-QGZVFWFLSA-N 0 3 343.471 3.603 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000776795820 1136672186 /nfs/dbraw/zinc/67/21/86/1136672186.db2.gz WFQOAGIWYOTCIE-SFHVURJKSA-N 0 3 343.471 3.698 20 30 EHEDHN C#CCOc1ccc(CNCc2ccc(Br)s2)cc1 ZINC000113317736 1136694540 /nfs/dbraw/zinc/69/45/40/1136694540.db2.gz BNYHYGWBFZXWRH-UHFFFAOYSA-N 0 3 336.254 3.812 20 30 EHEDHN C#CCCOc1ccc(CNCc2cccc(Cn3cccn3)c2)cc1 ZINC000113325896 1136697348 /nfs/dbraw/zinc/69/73/48/1136697348.db2.gz QFHNMRSYPVMZEW-UHFFFAOYSA-N 0 3 345.446 3.623 20 30 EHEDHN C#C[C@H](N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000816616311 1136741979 /nfs/dbraw/zinc/74/19/79/1136741979.db2.gz TYSOFLHZPYDCKC-GUYCJALGSA-N 0 3 348.874 3.859 20 30 EHEDHN C[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)c1ccnn1C ZINC000817713797 1136834674 /nfs/dbraw/zinc/83/46/74/1136834674.db2.gz WAGJEZNIMICTJW-GXSJLCMTSA-N 0 3 344.827 3.663 20 30 EHEDHN C#Cc1ccc(C(=O)NC[C@H](c2ccsc2)N(CC)CC)cc1 ZINC001136215841 1136937999 /nfs/dbraw/zinc/93/79/99/1136937999.db2.gz RCTZKRABTWHDST-GOSISDBHSA-N 0 3 326.465 3.542 20 30 EHEDHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1C#N ZINC000859119830 1137003863 /nfs/dbraw/zinc/00/38/63/1137003863.db2.gz HJLQRXUMHKGCLK-QGZVFWFLSA-N 0 3 343.471 3.556 20 30 EHEDHN Cc1ccc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1C#N ZINC000859230471 1137009089 /nfs/dbraw/zinc/00/90/89/1137009089.db2.gz YNSKISCRTAHFKT-OAHLLOKOSA-N 0 3 335.407 3.674 20 30 EHEDHN Cc1ccc(CN2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859240188 1137009296 /nfs/dbraw/zinc/00/92/96/1137009296.db2.gz VIMGWBOCEPFTSE-RDJZCZTQSA-N 0 3 343.471 3.602 20 30 EHEDHN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000805764892 1137026493 /nfs/dbraw/zinc/02/64/93/1137026493.db2.gz GSRZHPJAGIEORS-GOSISDBHSA-N 0 3 343.471 3.828 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860470740 1137061872 /nfs/dbraw/zinc/06/18/72/1137061872.db2.gz UYEQUXJDHHCVMD-LMMKCTJWSA-N 0 3 332.403 3.918 20 30 EHEDHN N#Cc1ccccc1N1CCCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822580515 1137066020 /nfs/dbraw/zinc/06/60/20/1137066020.db2.gz ZZTMGACGVVINJW-HNNXBMFYSA-N 0 3 338.282 3.654 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000823619073 1137106707 /nfs/dbraw/zinc/10/67/07/1137106707.db2.gz WYZXNDIJXHVOSD-KRWDZBQOSA-N 0 3 347.462 3.987 20 30 EHEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)C1 ZINC000805856251 1137125645 /nfs/dbraw/zinc/12/56/45/1137125645.db2.gz SLFCQRFFEORGHF-SMRZUVACSA-N 0 3 342.439 3.663 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824953963 1137159265 /nfs/dbraw/zinc/15/92/65/1137159265.db2.gz NGCXHJJUTMPOML-CTNGQTDRSA-N 0 3 339.435 3.794 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCCO2)cc1 ZINC000120098198 1137233671 /nfs/dbraw/zinc/23/36/71/1137233671.db2.gz XZBRKNOCYNLQSB-JCGIZDLHSA-N 0 3 342.439 3.807 20 30 EHEDHN N#Cc1cncc(CN2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)c1 ZINC001144080029 1137237387 /nfs/dbraw/zinc/23/73/87/1137237387.db2.gz SYIRCHGBEXRSPQ-FDFHNCONSA-N 0 3 345.446 3.650 20 30 EHEDHN N=C(Nc1ccc([C@H]2CCC(=O)N2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171184976 1137293106 /nfs/dbraw/zinc/29/31/06/1137293106.db2.gz CWVHDXAKPLNZQK-LJQANCHMSA-N 0 3 345.402 3.534 20 30 EHEDHN C#Cc1ccc(CN2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)cc1 ZINC000846054096 1137330824 /nfs/dbraw/zinc/33/08/24/1137330824.db2.gz CKXLLNMEUJAALL-BEFAXECRSA-N 0 3 335.451 3.629 20 30 EHEDHN COc1cc2c(cc1OC)CN([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171221578 1137346163 /nfs/dbraw/zinc/34/61/63/1137346163.db2.gz PKVUQWUUUCFWED-OAHLLOKOSA-N 0 3 336.435 3.565 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171221007 1137346713 /nfs/dbraw/zinc/34/67/13/1137346713.db2.gz HCOGHFITKIPLRL-HNNXBMFYSA-N 0 3 328.456 3.543 20 30 EHEDHN CCc1ccc([C@@H](C)CC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000121674010 1137381063 /nfs/dbraw/zinc/38/10/63/1137381063.db2.gz DALUGPXTLCMOLL-KXBFYZLASA-N 0 3 340.467 3.900 20 30 EHEDHN CCN(Cc1ccccc1)c1ccc(C=NN(C)CCOC)cc1 ZINC000794967559 1137381898 /nfs/dbraw/zinc/38/18/98/1137381898.db2.gz HFTCEDPZTCOZQD-UHFFFAOYSA-N 0 3 325.456 3.625 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC2(C)CCC2)cc1 ZINC000772970104 1137387353 /nfs/dbraw/zinc/38/73/53/1137387353.db2.gz AJGRUQBXCFUCLP-PBHICJAKSA-N 0 3 342.439 3.807 20 30 EHEDHN COc1cc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)cc(Cl)c1[O-] ZINC001172300022 1137549004 /nfs/dbraw/zinc/54/90/04/1137549004.db2.gz QZAVHQJPGZHUKR-LBPRGKRZSA-N 0 3 330.815 3.647 20 30 EHEDHN CCCCCCC[C@H](CC)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001172361708 1137554501 /nfs/dbraw/zinc/55/45/01/1137554501.db2.gz LFMDYPKSOUNWAC-GBESFXJTSA-N 0 3 328.516 3.870 20 30 EHEDHN CCCN(CCN1CCCCCC1)C(=O)c1sccc1CC#N ZINC000875736074 1137637593 /nfs/dbraw/zinc/63/75/93/1137637593.db2.gz PBDZPSFFYUJJLI-UHFFFAOYSA-N 0 3 333.501 3.542 20 30 EHEDHN CN(C)c1ccc(C#N)cc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000876683450 1137658917 /nfs/dbraw/zinc/65/89/17/1137658917.db2.gz BTJUWWKFVRLKPU-NRFANRHFSA-N 0 3 335.451 3.588 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCCc2ccccc2C(F)(F)F)c1 ZINC000876963449 1137666383 /nfs/dbraw/zinc/66/63/83/1137666383.db2.gz OUCHYCWPNCAHQT-UHFFFAOYSA-N 0 3 339.748 3.958 20 30 EHEDHN C=CCCC[C@H](C)NCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877136429 1137671236 /nfs/dbraw/zinc/67/12/36/1137671236.db2.gz GVXNXFZXZIBYNU-AWEZNQCLSA-N 0 3 349.475 3.843 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@H]2C[C@H](NCC(C)(C)C#N)CC[C@@H]21 ZINC000877322404 1137674457 /nfs/dbraw/zinc/67/44/57/1137674457.db2.gz FYJRQYJXELDMER-XHSDSOJGSA-N 0 3 335.492 3.694 20 30 EHEDHN COc1cccc([C@@H]2C[C@H]2CNCc2cc(C#N)cnc2Cl)c1 ZINC000877592025 1137682402 /nfs/dbraw/zinc/68/24/02/1137682402.db2.gz KJKNZPYCWSWKTD-YOEHRIQHSA-N 0 3 327.815 3.509 20 30 EHEDHN CS[C@H]1CCCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878287026 1137709884 /nfs/dbraw/zinc/70/98/84/1137709884.db2.gz PPVRFTRHPGZCLN-RBUKOAKNSA-N 0 3 330.497 3.645 20 30 EHEDHN C=C(C)[C@H](NC[C@@H]1CC2(CO1)CCOCC2)c1ccc(F)c(F)c1 ZINC000878452195 1137716657 /nfs/dbraw/zinc/71/66/57/1137716657.db2.gz WWBBGRGRLXHGIK-YJBOKZPZSA-N 0 3 337.410 3.757 20 30 EHEDHN N#Cc1c(NC(=O)CCN2CCC(F)CC2)sc2c1CCCCC2 ZINC000880243228 1137771931 /nfs/dbraw/zinc/77/19/31/1137771931.db2.gz FSYIVOYMJLUPBM-UHFFFAOYSA-N 0 3 349.475 3.651 20 30 EHEDHN CCOC(=O)c1csc(CC2CCN(CCC(C)(C)C#N)CC2)n1 ZINC000880263301 1137772334 /nfs/dbraw/zinc/77/23/34/1137772334.db2.gz JSGVQJQAVKZHMC-UHFFFAOYSA-N 0 3 349.500 3.514 20 30 EHEDHN N#CC1(c2ccccc2)CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137180077 1137830268 /nfs/dbraw/zinc/83/02/68/1137830268.db2.gz RLVKGGZRUPPRTQ-UHFFFAOYSA-N 0 3 343.430 3.998 20 30 EHEDHN Cc1c([C@H](C)NCC(C)(C)CCC#N)nnn1-c1ccc(C)cc1 ZINC000348249733 1137878493 /nfs/dbraw/zinc/87/84/93/1137878493.db2.gz YVRQMWGXFWAISX-HNNXBMFYSA-N 0 3 325.460 3.865 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000106255380 1137883035 /nfs/dbraw/zinc/88/30/35/1137883035.db2.gz OJMPVBMUSPMRPB-AWEZNQCLSA-N 0 3 335.879 3.741 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)CC1 ZINC000331784213 1137920464 /nfs/dbraw/zinc/92/04/64/1137920464.db2.gz MGHWQEQRFCJWQC-KRWDZBQOSA-N 0 3 345.487 3.551 20 30 EHEDHN CC(C)(NCC(=O)N(CCC#N)c1ccccc1)c1cccs1 ZINC000348306644 1137925956 /nfs/dbraw/zinc/92/59/56/1137925956.db2.gz KTDKETRELDUDHY-UHFFFAOYSA-N 0 3 327.453 3.520 20 30 EHEDHN COc1cc(C#N)ccc1CN1CC[C@H](COCc2ccccc2)C1 ZINC000121063090 1137954809 /nfs/dbraw/zinc/95/48/09/1137954809.db2.gz NVXNQVNMGMWJDI-IBGZPJMESA-N 0 3 336.435 3.606 20 30 EHEDHN N#CC1(C[C@@H](O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)CCC1 ZINC000886065719 1138037599 /nfs/dbraw/zinc/03/75/99/1138037599.db2.gz VOBXJHNAGZKBIT-UXHICEINSA-N 0 3 338.426 3.950 20 30 EHEDHN CC(C)(NC[C@H](O)CC1(C#N)CCC1)c1nc2ccccc2s1 ZINC000886297583 1138065383 /nfs/dbraw/zinc/06/53/83/1138065383.db2.gz VHMWTJYGBNJLPR-CYBMUJFWSA-N 0 3 329.469 3.566 20 30 EHEDHN C=CCC1(O)CCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000886778843 1138139149 /nfs/dbraw/zinc/13/91/49/1138139149.db2.gz XKSOIFJMYIRGLJ-UHFFFAOYSA-N 0 3 338.451 3.564 20 30 EHEDHN C=C(C)COc1cc(CN[C@H](CCO)c2ccccc2)ccc1OC ZINC000077468023 1138139756 /nfs/dbraw/zinc/13/97/56/1138139756.db2.gz DGCOQRADCBKAQD-LJQANCHMSA-N 0 3 341.451 3.863 20 30 EHEDHN CC(C)(NCCC(=O)Nc1ccccc1C#N)c1ccc(F)cc1F ZINC000886899547 1138171041 /nfs/dbraw/zinc/17/10/41/1138171041.db2.gz NTXFOMNIKWGJAD-UHFFFAOYSA-N 0 3 343.377 3.690 20 30 EHEDHN CCOc1ccc(C2=CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000091813576 1138221904 /nfs/dbraw/zinc/22/19/04/1138221904.db2.gz WNIODXAWJAOUEA-QFIPXVFZSA-N 0 3 348.446 3.780 20 30 EHEDHN C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H](C)N1Cc1ccc(C#N)cc1 ZINC000337237400 1138503686 /nfs/dbraw/zinc/50/36/86/1138503686.db2.gz LYYCPPVHLYNAJA-ROUUACIJSA-N 0 3 344.462 3.525 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)CC1 ZINC000264458110 1138522761 /nfs/dbraw/zinc/52/27/61/1138522761.db2.gz FKMVQYJESIOOGG-UHFFFAOYSA-N 0 3 333.435 3.701 20 30 EHEDHN COc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1Cl ZINC000132260483 1138570904 /nfs/dbraw/zinc/57/09/04/1138570904.db2.gz AOFHPDFDSJASSB-UHFFFAOYSA-N 0 3 343.858 3.988 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2nc(-c3ccccc3)cs2)CC1 ZINC000338184506 1138778858 /nfs/dbraw/zinc/77/88/58/1138778858.db2.gz BXOFRPWWFFBYDY-UHFFFAOYSA-N 0 3 341.480 3.580 20 30 EHEDHN CCc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1C(C)(C)C ZINC000338186715 1138780059 /nfs/dbraw/zinc/78/00/59/1138780059.db2.gz AHZWPPFHSKZAAJ-ZDUSSCGKSA-N 0 3 349.438 3.577 20 30 EHEDHN N#Cc1cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1F ZINC000136267167 1138793022 /nfs/dbraw/zinc/79/30/22/1138793022.db2.gz QHTIHXCUQQCAIM-FQEVSTJZSA-N 0 3 338.382 3.709 20 30 EHEDHN C[C@@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)CN1C1CC1 ZINC000177089491 1139597608 /nfs/dbraw/zinc/59/76/08/1139597608.db2.gz AQMBJJYRTPGHES-NVXWUHKLSA-N 0 3 345.446 3.580 20 30 EHEDHN Cc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1[N+](=O)[O-] ZINC000180548478 1139844338 /nfs/dbraw/zinc/84/43/38/1139844338.db2.gz VYSRNGCCDFXCRK-CQSZACIVSA-N 0 3 325.368 3.656 20 30 EHEDHN CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000269731979 1141139454 /nfs/dbraw/zinc/13/94/54/1141139454.db2.gz VEVIKLRYTAKQIL-SFHVURJKSA-N 0 3 325.456 3.833 20 30 EHEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000270630363 1141247586 /nfs/dbraw/zinc/24/75/86/1141247586.db2.gz HMUMQTWDDZNMFS-RTBURBONSA-N 0 3 345.368 3.511 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(OCC#N)cc1 ZINC000271453909 1141370337 /nfs/dbraw/zinc/37/03/37/1141370337.db2.gz ISOPZEUPVXJJBO-CABCVRRESA-N 0 3 349.434 3.520 20 30 EHEDHN CCC(CC)CN(CCC#N)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283290036 1141586432 /nfs/dbraw/zinc/58/64/32/1141586432.db2.gz XXPDSVRGUHHIHF-LJQANCHMSA-N 0 3 341.499 3.801 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc(C#N)ccc1C)c1ccco1 ZINC000349100103 1141638940 /nfs/dbraw/zinc/63/89/40/1141638940.db2.gz VSQWGACPRYSFRW-PBHICJAKSA-N 0 3 340.427 3.711 20 30 EHEDHN C#CCCC[NH2+][C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823841340 946491792 /nfs/dbraw/zinc/49/17/92/946491792.db2.gz LIUNPQJHKLLXRC-OAHLLOKOSA-N 0 3 331.423 3.598 20 30 EHEDHN C#CCCC[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823841340 946491802 /nfs/dbraw/zinc/49/18/02/946491802.db2.gz LIUNPQJHKLLXRC-OAHLLOKOSA-N 0 3 331.423 3.598 20 30 EHEDHN Cc1cccc(CN(Cc2cnc3c(C#N)cnn3c2)CC(C)C)c1 ZINC000577953432 1014935102 /nfs/dbraw/zinc/93/51/02/1014935102.db2.gz SNNCWOWLMZMQHN-UHFFFAOYSA-N 0 3 333.439 3.568 20 30 EHEDHN N#Cc1ccc(CNCc2ccc(COC3CCOCC3)cc2)s1 ZINC000126992270 1015152836 /nfs/dbraw/zinc/15/28/36/1015152836.db2.gz GIORLNACXPIPJY-UHFFFAOYSA-N 0 3 342.464 3.605 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)Cc2c(C)nn(C)c2C)c([O-])c1 ZINC000254987984 1015345008 /nfs/dbraw/zinc/34/50/08/1015345008.db2.gz XSSMEYYVQZDLHQ-DTHVTWRFSA-N 0 3 342.487 3.639 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)Cc2c(C)noc2C)c([O-])c1 ZINC000254989569 1015375102 /nfs/dbraw/zinc/37/51/02/1015375102.db2.gz HFJGHFCSAWVULT-UAAGNOOKSA-N 0 3 329.444 3.893 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](CC2CC2)C1 ZINC000339676126 1015504608 /nfs/dbraw/zinc/50/46/08/1015504608.db2.gz SRMYNHZXCNTEEB-DOTOQJQBSA-N 0 3 343.446 3.583 20 30 EHEDHN CCCCCCCCCN(C)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC001167146385 1016315919 /nfs/dbraw/zinc/31/59/19/1016315919.db2.gz MLRQYAXQELYJNJ-QGZVFWFLSA-N 0 3 334.508 3.598 20 30 EHEDHN N#CCCn1cc(C(=O)CN2C[C@@H]3CCCC[C@H]3C2)c2ccccc21 ZINC000177559926 1016371433 /nfs/dbraw/zinc/37/14/33/1016371433.db2.gz WHFHSZYMCPJGSV-IRXDYDNUSA-N 0 3 335.451 3.860 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(N3CCCC3=O)c2)cc1 ZINC000155276488 1016401909 /nfs/dbraw/zinc/40/19/09/1016401909.db2.gz BUIMTLGXZSXWNH-QGZVFWFLSA-N 0 3 348.446 3.676 20 30 EHEDHN CC1(C)CN(CCC(=O)Nc2sccc2C#N)Cc2ccccc21 ZINC000340239620 1016765980 /nfs/dbraw/zinc/76/59/80/1016765980.db2.gz OXVKRCXEUAPJRR-UHFFFAOYSA-N 0 3 339.464 3.742 20 30 EHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(F)(F)F ZINC000121220875 1016959939 /nfs/dbraw/zinc/95/99/39/1016959939.db2.gz MLPIIKBTMMHQJC-LBPRGKRZSA-N 0 3 348.438 3.535 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000538179404 1032198178 /nfs/dbraw/zinc/19/81/78/1032198178.db2.gz HYWWHRGNOJXVRP-OXJNMPFZSA-N 0 3 329.488 3.762 20 30 EHEDHN CC(C)(C(=O)C(C#N)c1nc2cc(F)ccc2s1)c1cccnc1 ZINC000760202092 1032324967 /nfs/dbraw/zinc/32/49/67/1032324967.db2.gz DWHQUNXDBGAXTL-CYBMUJFWSA-N 0 3 339.395 3.984 20 30 EHEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1OCCC(C)C ZINC000905079678 1032331457 /nfs/dbraw/zinc/33/14/57/1032331457.db2.gz DPEOHPLETNOBOC-GULXKOIASA-N 0 3 341.411 3.553 20 30 EHEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1OCCC(C)C ZINC000905079679 1032332584 /nfs/dbraw/zinc/33/25/84/1032332584.db2.gz DPEOHPLETNOBOC-MLJKTZRHSA-N 0 3 341.411 3.553 20 30 EHEDHN N#Cc1cccc(COc2cccc(CN3CC4(C3)CCOCC4)c2)c1 ZINC000459626004 1032337961 /nfs/dbraw/zinc/33/79/61/1032337961.db2.gz VPXUKAULPIEEDG-UHFFFAOYSA-N 0 3 348.446 3.750 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000537232837 1032571265 /nfs/dbraw/zinc/57/12/65/1032571265.db2.gz RDYWSFCPCPOVIT-SJLPKXTDSA-N 0 3 332.463 3.899 20 30 EHEDHN N#Cc1ccc(CN2CCC(N3CCc4cc(F)ccc43)CC2)cc1 ZINC000549151518 1017392302 /nfs/dbraw/zinc/39/23/02/1017392302.db2.gz RYSBIBXTFAABID-UHFFFAOYSA-N 0 3 335.426 3.724 20 30 EHEDHN CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)N(C)C ZINC000541130331 1017720931 /nfs/dbraw/zinc/72/09/31/1017720931.db2.gz BKDBCNBUSUQKON-IERDGZPVSA-N 0 3 349.478 3.989 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccccc2Cn2ccnc2)cc1 ZINC000728711372 1018333303 /nfs/dbraw/zinc/33/33/03/1018333303.db2.gz AAAFWIWURSZJNG-QGZVFWFLSA-N 0 3 346.434 3.512 20 30 EHEDHN Cn1cc(CN2CCC3(CC3(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000593073078 1032769039 /nfs/dbraw/zinc/76/90/39/1032769039.db2.gz OYDQNTBLGGGQMJ-UHFFFAOYSA-N 0 3 342.393 3.580 20 30 EHEDHN N#Cc1csc(CNCc2cccc(COC3CCOCC3)c2)c1 ZINC000177699611 1018541458 /nfs/dbraw/zinc/54/14/58/1018541458.db2.gz WPPMPKNHTUOJLW-UHFFFAOYSA-N 0 3 342.464 3.605 20 30 EHEDHN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000182339582 1019326352 /nfs/dbraw/zinc/32/63/52/1019326352.db2.gz JQWXIBOZQMFVJZ-ZDUSSCGKSA-N 0 3 327.815 3.809 20 30 EHEDHN C=CCOc1ccc(CN2CCC[C@@H](OC3CCC3)C2)cc1OC ZINC000656272140 1019855778 /nfs/dbraw/zinc/85/57/78/1019855778.db2.gz PKGSRDJWZMMATC-GOSISDBHSA-N 0 3 331.456 3.794 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000126501295 1020071850 /nfs/dbraw/zinc/07/18/50/1020071850.db2.gz ZNMSKGUVUQGEPK-ZWKOTPCHSA-N 0 3 343.515 3.751 20 30 EHEDHN Cc1ccc(C#N)c(NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)n1 ZINC000340861068 1020482217 /nfs/dbraw/zinc/48/22/17/1020482217.db2.gz AABRKFVQUFRKJU-LJQANCHMSA-N 0 3 338.455 3.764 20 30 EHEDHN CCc1nc(C)c([C@H](C)N(C)C[C@@H](O)c2cccc(C#N)c2)s1 ZINC001167464061 1020929846 /nfs/dbraw/zinc/92/98/46/1020929846.db2.gz FCUNYCBIGPEPCN-XJKSGUPXSA-N 0 3 329.469 3.612 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000255311451 1020990354 /nfs/dbraw/zinc/99/03/54/1020990354.db2.gz MWHLDRWZIWEFMJ-RUAJRXAUSA-N 0 3 326.440 3.565 20 30 EHEDHN COc1ccc(O)c(/C=N\C[C@H](c2cccs2)N2CCCC2)c1 ZINC000255311854 1020991748 /nfs/dbraw/zinc/99/17/48/1020991748.db2.gz OGOGLKVXSCULMV-BKAYVGFPSA-N 0 3 330.453 3.718 20 30 EHEDHN C#CCC1(N[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)CCC1 ZINC000933300858 1021067087 /nfs/dbraw/zinc/06/70/87/1021067087.db2.gz LMFGGWOAFIUUSR-OAHLLOKOSA-N 0 3 345.512 3.733 20 30 EHEDHN CC[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[C@@H]1c1ccccc1 ZINC000592504943 1032953888 /nfs/dbraw/zinc/95/38/88/1032953888.db2.gz NALGIXKDLKXHCO-XLIONFOSSA-N 0 3 345.450 3.617 20 30 EHEDHN N#Cc1cnn2cc(CNC3(c4ccccc4)CCCCC3)cnc12 ZINC000592505395 1032955603 /nfs/dbraw/zinc/95/56/03/1032955603.db2.gz LNYUJODPJMUAJV-UHFFFAOYSA-N 0 3 331.423 3.550 20 30 EHEDHN C=CCN1CCC(NC(=O)c2c(Cl)cccc2OCC2CC2)CC1 ZINC000894378232 1021256433 /nfs/dbraw/zinc/25/64/33/1021256433.db2.gz RIWBMCFUJUXKLB-UHFFFAOYSA-N 0 3 348.874 3.509 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@H](C)CC2(C#N)CCOCC2)cc1[N+](=O)[O-] ZINC000602562096 1032975381 /nfs/dbraw/zinc/97/53/81/1032975381.db2.gz HAKNFQIEJHHBKF-HUUCEWRRSA-N 0 3 331.416 3.653 20 30 EHEDHN CC(C)(C#N)CCCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625801845 1021463898 /nfs/dbraw/zinc/46/38/98/1021463898.db2.gz ZWIGYHPDUFAIFG-FQEVSTJZSA-N 0 3 326.440 3.816 20 30 EHEDHN C[C@@H](Cc1cc(Br)ccc1F)NCc1cccc(C#N)n1 ZINC000602581983 1033000296 /nfs/dbraw/zinc/00/02/96/1033000296.db2.gz MLJSMZGOOXGDCL-NSHDSACASA-N 0 3 348.219 3.576 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1CC(C)(C)CCc2ccccc21 ZINC000440644831 1021686321 /nfs/dbraw/zinc/68/63/21/1021686321.db2.gz LDXPGJBELHJJBN-RXVVDRJESA-N 0 3 341.499 3.734 20 30 EHEDHN CN(CCOc1cccc(C#N)c1)Cc1ccc(OC(F)F)cc1 ZINC000051212843 1021696641 /nfs/dbraw/zinc/69/66/41/1021696641.db2.gz CPXRNQBCNDSMLX-UHFFFAOYSA-N 0 3 332.350 3.670 20 30 EHEDHN C#CCOc1ccccc1CNC[C@@H](c1ccco1)N1CCCCC1 ZINC000060818793 1033005503 /nfs/dbraw/zinc/00/55/03/1033005503.db2.gz ASWVNUHZGNYOLB-IBGZPJMESA-N 0 3 338.451 3.608 20 30 EHEDHN COc1cc(CN[C@H](C)c2cccc(-n3ccnc3)c2)ccc1C#N ZINC000440816761 1021789870 /nfs/dbraw/zinc/78/98/70/1021789870.db2.gz DWVLOQJKRHLSAH-OAHLLOKOSA-N 0 3 332.407 3.603 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441320720 1022150575 /nfs/dbraw/zinc/15/05/75/1022150575.db2.gz AJYLFQFTSYWSQW-YLJYHZDGSA-N 0 3 343.515 3.703 20 30 EHEDHN COC(=O)c1cc(CN[C@@H](CCCC#N)c2ccccc2)[nH]c1C ZINC000602670893 1033050420 /nfs/dbraw/zinc/05/04/20/1033050420.db2.gz ROIUNRMEPMEPQQ-SFHVURJKSA-N 0 3 325.412 3.635 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000111496013 1022574015 /nfs/dbraw/zinc/57/40/15/1022574015.db2.gz AXYZYVMETMXKTM-PMACEKPBSA-N 0 3 341.499 3.662 20 30 EHEDHN CC(=O)c1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)cc1Cl ZINC000330798272 1022676789 /nfs/dbraw/zinc/67/67/89/1022676789.db2.gz HSRRMUGSFDUKFW-LLVKDONJSA-N 0 3 335.835 3.519 20 30 EHEDHN C#C[C@H](NC1CC2(C1)CO[C@H](C)C2)c1ccc(Br)cc1 ZINC000894669714 1022685317 /nfs/dbraw/zinc/68/53/17/1022685317.db2.gz XRAGIQHHZRIQHB-XBOHUIDSSA-N 0 3 334.257 3.671 20 30 EHEDHN CCN(CCN[C@@H](C)c1ccc(C#N)cc1F)CCC(F)(F)F ZINC000426056640 1022774501 /nfs/dbraw/zinc/77/45/01/1022774501.db2.gz BJRFOHQYPPWLRL-LBPRGKRZSA-N 0 3 331.357 3.622 20 30 EHEDHN CC(C)(C)CCN1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000426141633 1022983559 /nfs/dbraw/zinc/98/35/59/1022983559.db2.gz WUWNKOXBIDVDBZ-UHFFFAOYSA-N 0 3 348.878 3.797 20 30 EHEDHN N#Cc1ccc(C2(N[C@@H](c3nnc[nH]3)C3CCCCC3)CCC2)cc1 ZINC000602709515 1033094485 /nfs/dbraw/zinc/09/44/85/1033094485.db2.gz KGWOFLMFIVHIRZ-GOSISDBHSA-N 0 3 335.455 3.967 20 30 EHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000426765968 1023018126 /nfs/dbraw/zinc/01/81/26/1023018126.db2.gz VCHDMSTZUHIEBS-YUELXQCFSA-N 0 3 331.847 3.661 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CCOC2)cc1 ZINC000176096734 1023024279 /nfs/dbraw/zinc/02/42/79/1023024279.db2.gz LLTAPJPHHWUPRJ-DAYGRLMNSA-N 0 3 342.439 3.664 20 30 EHEDHN COCCOc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341759613 1023274066 /nfs/dbraw/zinc/27/40/66/1023274066.db2.gz HWQFKINFDFIXEO-HXUWFJFHSA-N 0 3 336.435 3.751 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H]2C2CC2)ccc1Cl ZINC000610735423 1023390722 /nfs/dbraw/zinc/39/07/22/1023390722.db2.gz DBRKXNIYANORFA-GOSISDBHSA-N 0 3 345.874 3.770 20 30 EHEDHN Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H]2C2CC2)ccc1Cl ZINC000610735424 1023391468 /nfs/dbraw/zinc/39/14/68/1023391468.db2.gz DBRKXNIYANORFA-SFHVURJKSA-N 0 3 345.874 3.770 20 30 EHEDHN CC[C@@H](NCCOc1ccc(C#N)cc1OC)c1cc(F)ccc1F ZINC000341977188 1023738210 /nfs/dbraw/zinc/73/82/10/1023738210.db2.gz AKLIMSUNMNRCSV-QGZVFWFLSA-N 0 3 346.377 3.965 20 30 EHEDHN CC1CCC(OC2CCN(CCOc3ccccc3C#N)CC2)CC1 ZINC000342006675 1023755790 /nfs/dbraw/zinc/75/57/90/1023755790.db2.gz PIZCQDJUJJVWAQ-UHFFFAOYSA-N 0 3 342.483 3.997 20 30 EHEDHN CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)N(CC)CC ZINC000441518805 1024021153 /nfs/dbraw/zinc/02/11/53/1024021153.db2.gz BSPNCOWLYRDNEE-ZDUSSCGKSA-N 0 3 343.349 3.516 20 30 EHEDHN CCCn1ncc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1C1CC1 ZINC000329879648 1024231393 /nfs/dbraw/zinc/23/13/93/1024231393.db2.gz MNYAKHDJQPZIPJ-INIZCTEOSA-N 0 3 332.492 3.596 20 30 EHEDHN N#CC(C(=O)CCc1ccncc1)c1nc2ccccc2n1C(F)F ZINC000178988203 1024285691 /nfs/dbraw/zinc/28/56/91/1024285691.db2.gz IVXWALZEGCBCIO-CYBMUJFWSA-N 0 3 340.333 3.635 20 30 EHEDHN C=CC[C@@H]1CCCN(Cc2ccc(NC(=O)OC(C)(C)C)nn2)C1 ZINC000895337972 1024320986 /nfs/dbraw/zinc/32/09/86/1024320986.db2.gz MWDAZUZSKBWZFZ-CQSZACIVSA-N 0 3 332.448 3.612 20 30 EHEDHN C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000281739957 1024437667 /nfs/dbraw/zinc/43/76/67/1024437667.db2.gz YMCJIYXEGRMNCD-UZLBHIALSA-N 0 3 349.478 3.909 20 30 EHEDHN Cc1ccc([C@]2(C)CCN(Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000435037584 1024559848 /nfs/dbraw/zinc/55/98/48/1024559848.db2.gz OLFLIQQYPDZKSH-OAQYLSRUSA-N 0 3 330.435 3.678 20 30 EHEDHN C=CCCC[C@@H](NCc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000895638794 1024682988 /nfs/dbraw/zinc/68/29/88/1024682988.db2.gz VZRFAQQFAWVSAE-LJQANCHMSA-N 0 3 344.480 3.521 20 30 EHEDHN CC[C@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000514709542 1024686999 /nfs/dbraw/zinc/68/69/99/1024686999.db2.gz SZGMCMWJPXJJLD-PMACEKPBSA-N 0 3 339.483 3.923 20 30 EHEDHN CCCCC1(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000934208275 1024769985 /nfs/dbraw/zinc/76/99/85/1024769985.db2.gz YKOJYNVSQHFDQE-GFCCVEGCSA-N 0 3 331.485 3.748 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(OC)c(OCCCC)c2)CC1 ZINC000895835681 1024902285 /nfs/dbraw/zinc/90/22/85/1024902285.db2.gz LAXAALAYEOTNEH-UHFFFAOYSA-N 0 3 333.472 3.777 20 30 EHEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1coc3ccc(F)cc13)C2 ZINC001141852975 1024958944 /nfs/dbraw/zinc/95/89/44/1024958944.db2.gz XZNOWNFRKXFDEY-XLIONFOSSA-N 0 3 345.414 3.898 20 30 EHEDHN CN(Cc1ccc(C(F)F)c(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000895141106 1024995192 /nfs/dbraw/zinc/99/51/92/1024995192.db2.gz IHBMSWUYIJMMJA-QGZVFWFLSA-N 0 3 334.341 3.800 20 30 EHEDHN COc1cc(CNCc2cccc(Br)c2)ccc1C#N ZINC000234927631 1025145582 /nfs/dbraw/zinc/14/55/82/1025145582.db2.gz CSIAZBGWIFDWQH-UHFFFAOYSA-N 0 3 331.213 3.619 20 30 EHEDHN Cc1cc(CNCc2cc(N(C)C)nc3ccccc23)ccc1C#N ZINC000444004044 1025174660 /nfs/dbraw/zinc/17/46/60/1025174660.db2.gz VZYLZHSISZMZGD-UHFFFAOYSA-N 0 3 330.435 3.771 20 30 EHEDHN CC(C)C[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000346998070 1025374676 /nfs/dbraw/zinc/37/46/76/1025374676.db2.gz VBXYZHSPGGNIRQ-MRXNPFEDSA-N 0 3 333.863 3.579 20 30 EHEDHN N#C[C@H]1CC[C@@H](NCc2cccc(NC(=O)c3ccc(F)cc3)c2)C1 ZINC000442720191 1025453201 /nfs/dbraw/zinc/45/32/01/1025453201.db2.gz SPOWBJHUUBRIJA-KBXCAEBGSA-N 0 3 337.398 3.860 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000521586284 1025482869 /nfs/dbraw/zinc/48/28/69/1025482869.db2.gz PUVGUGPZLDTZKP-HXUWFJFHSA-N 0 3 341.499 3.746 20 30 EHEDHN CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+][C@H]1CC13CCCCC3)C2 ZINC000329112346 1025609429 /nfs/dbraw/zinc/60/94/29/1025609429.db2.gz KQJUMYUZCODOME-GJZGRUSLSA-N 0 3 344.503 3.722 20 30 EHEDHN N#CC(C(=O)CCCc1ccc(F)c(F)c1)C(=O)Nc1ccccc1 ZINC000120000396 1025641845 /nfs/dbraw/zinc/64/18/45/1025641845.db2.gz CVDNGEQEDJFIIM-OAHLLOKOSA-N 0 3 342.345 3.635 20 30 EHEDHN C=CCC[C@H](C)N1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1 ZINC000451221738 1025695596 /nfs/dbraw/zinc/69/55/96/1025695596.db2.gz ULYGDSKUFYCBMK-KRWDZBQOSA-N 0 3 343.467 3.869 20 30 EHEDHN N#CCc1ccc(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)cc1 ZINC000451310523 1025790723 /nfs/dbraw/zinc/79/07/23/1025790723.db2.gz RPXPVKBTJFPDFS-GOSISDBHSA-N 0 3 348.368 3.985 20 30 EHEDHN C=CCCn1cc(CNCC(C)(C)Cc2cccc(Cl)c2)nn1 ZINC000657393044 1025865704 /nfs/dbraw/zinc/86/57/04/1025865704.db2.gz JQHIASJQHZDSTN-UHFFFAOYSA-N 0 3 332.879 3.866 20 30 EHEDHN CCN(CC)[C@H](CNc1cc(C#N)c2ccccc2n1)c1ccco1 ZINC000522934396 1025963045 /nfs/dbraw/zinc/96/30/45/1025963045.db2.gz LPUPCZVMZBAEAO-GOSISDBHSA-N 0 3 334.423 3.616 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000522097730 1025971118 /nfs/dbraw/zinc/97/11/18/1025971118.db2.gz WWAJFQHCGFTDRS-NVXWUHKLSA-N 0 3 332.875 3.718 20 30 EHEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CCOC12CCCC2 ZINC000934399058 1026003186 /nfs/dbraw/zinc/00/31/86/1026003186.db2.gz ZIOCIMUZIJVLCY-KRWDZBQOSA-N 0 3 346.496 3.595 20 30 EHEDHN Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)N2CCCC2)o1 ZINC000166280911 1026023271 /nfs/dbraw/zinc/02/32/71/1026023271.db2.gz RMDVIIWLAHZUBX-KRWDZBQOSA-N 0 3 340.383 3.617 20 30 EHEDHN COc1ccc([C@@H](NCc2cnc3ccc(C#N)cn23)C2CCC2)cc1 ZINC000897079416 1026311431 /nfs/dbraw/zinc/31/14/31/1026311431.db2.gz FSZMNYALOQRXQJ-NRFANRHFSA-N 0 3 346.434 3.846 20 30 EHEDHN C=CCCn1cc(CNC[C@H](C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000657445211 1026414399 /nfs/dbraw/zinc/41/43/99/1026414399.db2.gz BYTGNESJZMPWFV-ZDUSSCGKSA-N 0 3 338.377 3.766 20 30 EHEDHN C=CCCn1cc(CN[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)nn1 ZINC000657490991 1026739368 /nfs/dbraw/zinc/73/93/68/1026739368.db2.gz QBBVHSYRNDRGEY-RDJZCZTQSA-N 0 3 330.863 3.934 20 30 EHEDHN C=CCOc1ccc(C(=O)N(CCC)CCN2CCCCC2)cc1 ZINC000342777195 1027015638 /nfs/dbraw/zinc/01/56/38/1027015638.db2.gz HOUIPMGCQXGXLH-UHFFFAOYSA-N 0 3 330.472 3.590 20 30 EHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000419837504 1027207998 /nfs/dbraw/zinc/20/79/98/1027207998.db2.gz MHBPVUYIGVFTLR-SNVBAGLBSA-N 0 3 335.379 3.965 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](CC2CC2)C1 ZINC000582732858 1027209992 /nfs/dbraw/zinc/20/99/92/1027209992.db2.gz KROMIRSENLDABX-RDJZCZTQSA-N 0 3 332.513 3.773 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN(CC)Cc1cccs1 ZINC000501475535 1027309138 /nfs/dbraw/zinc/30/91/38/1027309138.db2.gz SRGYYDCSIWBVMY-QGZVFWFLSA-N 0 3 331.481 3.738 20 30 EHEDHN Cn1c2ccccc2nc1C(C)(C)NCCCOc1cccc(C#N)c1 ZINC000186575134 1027564939 /nfs/dbraw/zinc/56/49/39/1027564939.db2.gz LWRMZWXPIZJNKS-UHFFFAOYSA-N 0 3 348.450 3.739 20 30 EHEDHN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)NC1(C#N)CCCCC1 ZINC000533505462 1027984243 /nfs/dbraw/zinc/98/42/43/1027984243.db2.gz KKTSDMOCBUQTSO-APWZRJJASA-N 0 3 339.483 3.849 20 30 EHEDHN Cc1ccc([C@@H](CNCc2ccc(C#N)c(F)c2)N2CCCC2)o1 ZINC000421342582 1028283242 /nfs/dbraw/zinc/28/32/42/1028283242.db2.gz NYXOIFFJWCJLDW-GOSISDBHSA-N 0 3 327.403 3.526 20 30 EHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457101253 1028289007 /nfs/dbraw/zinc/28/90/07/1028289007.db2.gz XRORSWSEZNAJGE-HNNXBMFYSA-N 0 3 341.480 3.636 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CCC=C(c2ccccc2)C1 ZINC000367073305 1028770105 /nfs/dbraw/zinc/77/01/05/1028770105.db2.gz JXXCJBQFWJCQRH-UHFFFAOYSA-N 0 3 337.448 3.738 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000424068055 1028774700 /nfs/dbraw/zinc/77/47/00/1028774700.db2.gz YDLZOGRBAABEBZ-NHCUHLMSSA-N 0 3 349.478 3.888 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000424113768 1028810758 /nfs/dbraw/zinc/81/07/58/1028810758.db2.gz ONOVJNWYFHHZGJ-HNNXBMFYSA-N 0 3 336.439 3.845 20 30 EHEDHN Cc1cccc(COc2cccc(NC(=O)[C@H](N)CCCC#N)c2)c1 ZINC000424144983 1028831765 /nfs/dbraw/zinc/83/17/65/1028831765.db2.gz UFISTJOYSUHAAD-LJQANCHMSA-N 0 3 337.423 3.534 20 30 EHEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000424196534 1028883486 /nfs/dbraw/zinc/88/34/86/1028883486.db2.gz MZQLDJLPCPVMLK-XKQJLSEDSA-N 0 3 334.847 3.680 20 30 EHEDHN C=CCn1cc(CN[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)nn1 ZINC000424294162 1028936301 /nfs/dbraw/zinc/93/63/01/1028936301.db2.gz JXPIMHNKIKHJCT-RDJZCZTQSA-N 0 3 330.863 3.934 20 30 EHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCOc3c(Br)cccc32)C1 ZINC000424324552 1028970333 /nfs/dbraw/zinc/97/03/33/1028970333.db2.gz KDSXDRWJJINOMV-ZOWXZIJZSA-N 0 3 335.245 3.945 20 30 EHEDHN COc1ccc(C#N)cc1CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183687529 1029102071 /nfs/dbraw/zinc/10/20/71/1029102071.db2.gz BWUGVSAWWTVWOA-HNNXBMFYSA-N 0 3 346.434 3.912 20 30 EHEDHN C=CC(C)(C)CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000454644393 1029139309 /nfs/dbraw/zinc/13/93/09/1029139309.db2.gz HHABIQILHSSKSZ-UHFFFAOYSA-N 0 3 347.528 3.612 20 30 EHEDHN N#Cc1ccc(CN2CCN(C[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000513882318 1029557007 /nfs/dbraw/zinc/55/70/07/1029557007.db2.gz GCLQAKPKLDFEKE-GOSISDBHSA-N 0 3 333.426 3.501 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453339665 1030121799 /nfs/dbraw/zinc/12/17/99/1030121799.db2.gz HODCKHLXIPTRQI-GLQYFDAESA-N 0 3 325.836 3.741 20 30 EHEDHN CC1CC(C#N)(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000532067199 1030330931 /nfs/dbraw/zinc/33/09/31/1030330931.db2.gz IKHBOUPMNXJBNB-MOMVYJMYSA-N 0 3 339.483 3.516 20 30 EHEDHN CC[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(C#N)cc1 ZINC000447581397 1030346059 /nfs/dbraw/zinc/34/60/59/1030346059.db2.gz UJRZDBCMRWDEKW-ROUUACIJSA-N 0 3 337.398 3.544 20 30 EHEDHN C=CC[C@@H]1N([C@@H]2CCCN(CC(F)(F)F)C2=O)CCCC1(C)C ZINC000447879524 1030561629 /nfs/dbraw/zinc/56/16/29/1030561629.db2.gz QZJFNXYZPCGSNG-KGLIPLIRSA-N 0 3 332.410 3.606 20 30 EHEDHN CC(=O)c1ccc(C#N)c(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000160233353 1030609797 /nfs/dbraw/zinc/60/97/97/1030609797.db2.gz SUNDCCRHMDMSAV-BTYIYWSLSA-N 0 3 333.435 3.693 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)CC1 ZINC000278402464 1030626655 /nfs/dbraw/zinc/62/66/55/1030626655.db2.gz GBBXEDBBSCEMGL-HKUYNNGSSA-N 0 3 341.499 3.533 20 30 EHEDHN C=C[C@H](CC(=O)NCCCN1CCc2ccccc2C1)c1ccccc1 ZINC000536155265 1031061807 /nfs/dbraw/zinc/06/18/07/1031061807.db2.gz QKQQWBJPQKRYCM-LJQANCHMSA-N 0 3 348.490 3.911 20 30 EHEDHN Cc1ccc2ccccc2c1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000483416116 1031154862 /nfs/dbraw/zinc/15/48/62/1031154862.db2.gz GIZDRRMUGHHOMU-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN C=CCOc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000527812611 1031247322 /nfs/dbraw/zinc/24/73/22/1031247322.db2.gz SJRTUXZNVAHCSM-UHFFFAOYSA-N 0 3 348.446 3.919 20 30 EHEDHN N#CCc1ccc(CN2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000343544524 1031329065 /nfs/dbraw/zinc/32/90/65/1031329065.db2.gz XYPNZSIYBYIENP-IBGZPJMESA-N 0 3 334.419 3.861 20 30 EHEDHN CCN(CCC#N)C(=O)CN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000175435856 1031335011 /nfs/dbraw/zinc/33/50/11/1031335011.db2.gz ZIGWWKFJGIMCJW-CABCVRRESA-N 0 3 335.879 3.526 20 30 EHEDHN C=C(CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000484640712 1031809424 /nfs/dbraw/zinc/80/94/24/1031809424.db2.gz HINZQNPYPWFFOL-WIYYLYMNSA-N 0 3 349.478 3.835 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(Cl)c2Cl)CC1 ZINC000448923513 1031898100 /nfs/dbraw/zinc/89/81/00/1031898100.db2.gz UUSKILBCFKYACB-UHFFFAOYSA-N 0 3 327.255 3.682 20 30 EHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000343689179 1031943427 /nfs/dbraw/zinc/94/34/27/1031943427.db2.gz LPTWUHTVZKDSCT-INIZCTEOSA-N 0 3 333.435 3.730 20 30 EHEDHN C=C(C)COc1cc(CNCc2ccc([C@H](C)O)cc2)ccc1OC ZINC000060949000 1033297013 /nfs/dbraw/zinc/29/70/13/1033297013.db2.gz BDXNUZJOEIQJQN-INIZCTEOSA-N 0 3 341.451 3.993 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000598595592 1033320534 /nfs/dbraw/zinc/32/05/34/1033320534.db2.gz KGYLHJUYNLCBKU-RBUKOAKNSA-N 0 3 326.415 3.805 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594429983 1033366113 /nfs/dbraw/zinc/36/61/13/1033366113.db2.gz YQXCYIDJTRGWNU-CXAGYDPISA-N 0 3 333.863 3.803 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(CCc1ccccc1)c1ccccc1 ZINC000594431438 1033369645 /nfs/dbraw/zinc/36/96/45/1033369645.db2.gz MMFNMWMFHORUOM-FQEVSTJZSA-N 0 3 335.451 3.674 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000594434626 1033372781 /nfs/dbraw/zinc/37/27/81/1033372781.db2.gz QKZXKKAEULWQJL-IRXDYDNUSA-N 0 3 333.863 3.709 20 30 EHEDHN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594441849 1033375590 /nfs/dbraw/zinc/37/55/90/1033375590.db2.gz AGFCFIVWHSRFAH-NEWSRXKRSA-N 0 3 327.472 3.706 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000594446924 1033378782 /nfs/dbraw/zinc/37/87/82/1033378782.db2.gz ZJZLCDUEPVPFDS-MRXNPFEDSA-N 0 3 347.422 3.580 20 30 EHEDHN CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594452704 1033380194 /nfs/dbraw/zinc/38/01/94/1033380194.db2.gz HUBYAKKBRQEGFR-MOPGFXCFSA-N 0 3 327.472 3.885 20 30 EHEDHN CC(C)CCOc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1F ZINC000594457664 1033382059 /nfs/dbraw/zinc/38/20/59/1033382059.db2.gz CQVOENHTDZSERU-MRXNPFEDSA-N 0 3 335.423 3.600 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1OCc1ccccc1 ZINC000594451668 1033382405 /nfs/dbraw/zinc/38/24/05/1033382405.db2.gz ADUPXJQXINCEDE-QGZVFWFLSA-N 0 3 337.423 3.615 20 30 EHEDHN C[C@@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C(=O)N1c1ccccc1 ZINC000594511305 1033418269 /nfs/dbraw/zinc/41/82/69/1033418269.db2.gz FDDDTDMOBPTIQX-OXQOHEQNSA-N 0 3 347.462 3.771 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(CCCC2)C1 ZINC000173830268 1033536244 /nfs/dbraw/zinc/53/62/44/1033536244.db2.gz QLYJWGCJGJGVHJ-KRWDZBQOSA-N 0 3 325.456 3.588 20 30 EHEDHN N#Cc1cccc(C2(NCc3scnc3C3CC3)CCOCC2)c1 ZINC000594979257 1033583423 /nfs/dbraw/zinc/58/34/23/1033583423.db2.gz HCMSAQRCOULURS-UHFFFAOYSA-N 0 3 339.464 3.688 20 30 EHEDHN N#Cc1ccc(C2(NCc3ccc(O[C@H]4CCOC4)cc3)CCC2)cc1 ZINC000594951361 1033593594 /nfs/dbraw/zinc/59/35/94/1033593594.db2.gz QZLMTDYTTVIUMG-NRFANRHFSA-N 0 3 348.446 3.895 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)C(C#N)(CC)CC)c1cccc(OC)c1 ZINC000599000549 1033634942 /nfs/dbraw/zinc/63/49/42/1033634942.db2.gz XBBQMNAAEQKFEA-GOSISDBHSA-N 0 3 345.487 3.524 20 30 EHEDHN COC[C@H](NCCc1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC000595058169 1033638250 /nfs/dbraw/zinc/63/82/50/1033638250.db2.gz YTTUBIQOOGTDAL-KRWDZBQOSA-N 0 3 332.806 3.871 20 30 EHEDHN COc1cc(CNCc2ccccc2CC(F)(F)F)ccc1C#N ZINC000599014519 1033664064 /nfs/dbraw/zinc/66/40/64/1033664064.db2.gz BICIYQMDORAIRB-UHFFFAOYSA-N 0 3 334.341 3.961 20 30 EHEDHN COc1ccc([C@@H](NCc2ccc(C3(C#N)CC3)cc2)C2CC2)cn1 ZINC000599019495 1033667355 /nfs/dbraw/zinc/66/73/55/1033667355.db2.gz DYNWZKLPWHITFH-FQEVSTJZSA-N 0 3 333.435 3.886 20 30 EHEDHN N#Cc1ccc(CCN2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000595296088 1033722621 /nfs/dbraw/zinc/72/26/21/1033722621.db2.gz HYTVZCTVEDAISG-UHFFFAOYSA-N 0 3 342.389 3.922 20 30 EHEDHN C[C@](C#N)(NC(=O)c1cccc(CN2CCCC2)c1)C1CCCCC1 ZINC000575016020 1033760549 /nfs/dbraw/zinc/76/05/49/1033760549.db2.gz BVNWOZUJLNKQFL-OAQYLSRUSA-N 0 3 339.483 3.875 20 30 EHEDHN COc1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1C#N ZINC000174252648 1033865500 /nfs/dbraw/zinc/86/55/00/1033865500.db2.gz GRRMIFBGLCSGBJ-UHFFFAOYSA-N 0 3 336.313 3.755 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595602187 1033915437 /nfs/dbraw/zinc/91/54/37/1033915437.db2.gz HHMLUXBIMCWHTG-CZUORRHYSA-N 0 3 342.399 3.869 20 30 EHEDHN Cc1ccc(-c2noc(CCCN3CCC[C@@H](CC#N)C3)n2)cc1F ZINC000595615144 1033926803 /nfs/dbraw/zinc/92/68/03/1033926803.db2.gz PGLNVCVYTPDRLQ-HNNXBMFYSA-N 0 3 342.418 3.742 20 30 EHEDHN N#CC[C@@H]1CCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000595614632 1033928775 /nfs/dbraw/zinc/92/87/75/1033928775.db2.gz LUKHKDMFUKNPRV-ZDUSSCGKSA-N 0 3 330.819 3.558 20 30 EHEDHN N#CCCCN1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526511 1033986509 /nfs/dbraw/zinc/98/65/09/1033986509.db2.gz NWVUPHDDLUBOQC-CQSZACIVSA-N 0 3 325.275 3.919 20 30 EHEDHN C=CC[C@H]1CCN(Cc2coc(-c3ccc(C(=O)OC)cc3)n2)C1 ZINC000599528749 1033989330 /nfs/dbraw/zinc/98/93/30/1033989330.db2.gz GTGALYPRUXTBJP-AWEZNQCLSA-N 0 3 326.396 3.526 20 30 EHEDHN COc1cc(CN2CC[C@@H]3C[C@@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000595812743 1033991559 /nfs/dbraw/zinc/99/15/59/1033991559.db2.gz YPXVGFMZQUVRLN-WOJBJXKFSA-N 0 3 348.446 3.988 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000595842472 1034005017 /nfs/dbraw/zinc/00/50/17/1034005017.db2.gz RQPSYVZOTVOPMX-YESZJQIVSA-N 0 3 341.455 3.523 20 30 EHEDHN CCCN(CCN(C)C)C(=O)c1ccccc1-c1ccccc1C#N ZINC000101693767 1034070608 /nfs/dbraw/zinc/07/06/08/1034070608.db2.gz BSDBTQHWEFOKKJ-UHFFFAOYSA-N 0 3 335.451 3.639 20 30 EHEDHN N#CCc1cccc2c1CCN(CCc1nsc3ccccc31)C2 ZINC000599677679 1034106335 /nfs/dbraw/zinc/10/63/35/1034106335.db2.gz JLARUVLEFDRAQU-UHFFFAOYSA-N 0 3 333.460 3.963 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000593170347 1034192936 /nfs/dbraw/zinc/19/29/36/1034192936.db2.gz KTKAHCYWSIEOBJ-UONOGXRCSA-N 0 3 326.318 3.553 20 30 EHEDHN C[C@@]1(c2ccccc2)CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000537624222 1034261615 /nfs/dbraw/zinc/26/16/15/1034261615.db2.gz UELMWXIJOCZXMQ-OAQYLSRUSA-N 0 3 330.435 3.760 20 30 EHEDHN C=CCN(CC=C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604203875 1034264583 /nfs/dbraw/zinc/26/45/83/1034264583.db2.gz CSJNEYNFALJHFB-LJQANCHMSA-N 0 3 327.472 3.597 20 30 EHEDHN C[C@@H]1Cc2ccccc2N1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000604483225 1034388409 /nfs/dbraw/zinc/38/84/09/1034388409.db2.gz HAXCYCYDPTUEDN-QGZVFWFLSA-N 0 3 331.463 3.974 20 30 EHEDHN CCCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)c1ccccc1 ZINC000604494851 1034399609 /nfs/dbraw/zinc/39/96/09/1034399609.db2.gz CADFGGVXLHZLKQ-YLJYHZDGSA-N 0 3 329.488 3.904 20 30 EHEDHN C=CCN(C(=O)C[C@@H](N)c1ccccc1)c1nc2c(s1)CCCC2 ZINC000448235844 1034757198 /nfs/dbraw/zinc/75/71/98/1034757198.db2.gz AFWFAZDEOSRVIT-OAHLLOKOSA-N 0 3 341.480 3.631 20 30 EHEDHN C=CCCCN(C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000605738790 1034823451 /nfs/dbraw/zinc/82/34/51/1034823451.db2.gz XOTQSTJPGVPJHC-NRFANRHFSA-N 0 3 336.479 3.985 20 30 EHEDHN CC(C)(CO)[C@@H](CNCc1cccc(F)c1C#N)c1ccccc1 ZINC000602011876 1034858079 /nfs/dbraw/zinc/85/80/79/1034858079.db2.gz NOXOJOMSLOZWFN-SFHVURJKSA-N 0 3 326.415 3.589 20 30 EHEDHN Cc1cc(C#N)ccc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000581040013 1035474032 /nfs/dbraw/zinc/47/40/32/1035474032.db2.gz MFZIBOVGLOWEGT-FQEVSTJZSA-N 0 3 336.435 3.537 20 30 EHEDHN Cc1ccccc1[C@@H](NCC(=O)Nc1sccc1C#N)C1CC1 ZINC000272039965 1035916242 /nfs/dbraw/zinc/91/62/42/1035916242.db2.gz OJDCFXLMXBGIQB-KRWDZBQOSA-N 0 3 325.437 3.608 20 30 EHEDHN C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000174310902 1035923296 /nfs/dbraw/zinc/92/32/96/1035923296.db2.gz XHNFUSGASAAQPA-KRWDZBQOSA-N 0 3 348.450 3.687 20 30 EHEDHN CC[C@@H]1CN(CC(=O)N(CC)C[C@@H](C)C#N)CC[C@H]1c1ccccc1 ZINC000470370524 1036282358 /nfs/dbraw/zinc/28/23/58/1036282358.db2.gz ZEPAXZNQJYUXGP-NLWGTHIKSA-N 0 3 341.499 3.510 20 30 EHEDHN CC(C)C[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1cccs1 ZINC000541626252 1036515531 /nfs/dbraw/zinc/51/55/31/1036515531.db2.gz VVJRBNLHFLWFJI-VKJFTORMSA-N 0 3 335.517 3.868 20 30 EHEDHN C=CCc1cc(CNCc2ccc3ncccc3c2)cc(OC)c1O ZINC000192977706 1036570425 /nfs/dbraw/zinc/57/04/25/1036570425.db2.gz RQPAUSGAUDHBFU-UHFFFAOYSA-N 0 3 334.419 3.967 20 30 EHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000193258306 1036585370 /nfs/dbraw/zinc/58/53/70/1036585370.db2.gz PSZCNZXSPNGDNN-ZDUSSCGKSA-N 0 3 345.337 3.582 20 30 EHEDHN CCN1CC[C@H](NCc2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180366046 1036725344 /nfs/dbraw/zinc/72/53/44/1036725344.db2.gz IYTAZUINCYZQKD-ROUUACIJSA-N 0 3 347.821 3.869 20 30 EHEDHN Cc1cc([C@H](NCC(=O)NC2(C#N)CCCCC2)C2CC2)ccc1F ZINC000539424271 1036745168 /nfs/dbraw/zinc/74/51/68/1036745168.db2.gz MPOOYWBCPOXOCE-LJQANCHMSA-N 0 3 343.446 3.518 20 30 EHEDHN Cc1cccc(NC2CCN(CCOc3ccccc3C#N)CC2)c1 ZINC000153039584 1036761579 /nfs/dbraw/zinc/76/15/79/1036761579.db2.gz VERDWZOCYZYMJL-UHFFFAOYSA-N 0 3 335.451 3.822 20 30 EHEDHN COc1cc(OC)c(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c(OC)c1 ZINC000590153459 1036776991 /nfs/dbraw/zinc/77/69/91/1036776991.db2.gz YSXOPSFYVKFZMZ-GOEBONIOSA-N 0 3 344.455 3.584 20 30 EHEDHN C[C@H](CN1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cccc(Cl)c1 ZINC000428787229 1036796200 /nfs/dbraw/zinc/79/62/00/1036796200.db2.gz JLFQRTHZVOJYAJ-KDOFPFPSSA-N 0 3 341.842 3.863 20 30 EHEDHN C=CCc1cc(CN2CC[C@@H](OCCC(C)C)C2)cc(OC)c1O ZINC000539836517 1037266278 /nfs/dbraw/zinc/26/62/78/1037266278.db2.gz LBIATNNTEVAGQN-GOSISDBHSA-N 0 3 333.472 3.766 20 30 EHEDHN N#Cc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000104705362 1037359814 /nfs/dbraw/zinc/35/98/14/1037359814.db2.gz WTLGAQYIEHBECA-FQEVSTJZSA-N 0 3 337.398 3.767 20 30 EHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C1CCCC1 ZINC000170983652 1037401933 /nfs/dbraw/zinc/40/19/33/1037401933.db2.gz GBWXKQMQCXOYDN-CQSZACIVSA-N 0 3 331.485 3.894 20 30 EHEDHN C=CCN(CC(=O)N(C)C1(C#N)CCCCC1)CC1CCCCC1 ZINC000303454713 1037431130 /nfs/dbraw/zinc/43/11/30/1037431130.db2.gz LVSOFIAADPGGQM-UHFFFAOYSA-N 0 3 331.504 3.740 20 30 EHEDHN C[C@H](C1CC1)n1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000187622672 1037433100 /nfs/dbraw/zinc/43/31/00/1037433100.db2.gz AZLKKFFDFTYHPQ-MRXNPFEDSA-N 0 3 349.482 3.802 20 30 EHEDHN CC1CCN(c2ccc(CN[C@@H]3CCc4ccc(C#N)cc43)cn2)CC1 ZINC000573610841 1037629012 /nfs/dbraw/zinc/62/90/12/1037629012.db2.gz QONKIFHOILDMMV-OAQYLSRUSA-N 0 3 346.478 3.967 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000592068613 1037825355 /nfs/dbraw/zinc/82/53/55/1037825355.db2.gz DCQLDDDVJPMPIN-UHFFFAOYSA-N 0 3 332.447 3.638 20 30 EHEDHN C=CCN1CCC(NC(=O)Cc2coc3ccc4ccccc4c23)CC1 ZINC000592070466 1037827559 /nfs/dbraw/zinc/82/75/59/1037827559.db2.gz VRZMTFPXLIPZEP-UHFFFAOYSA-N 0 3 348.446 3.895 20 30 EHEDHN N#Cc1cc(CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)ccc1F ZINC000592166138 1037909905 /nfs/dbraw/zinc/90/99/05/1037909905.db2.gz GXOQCCVKLRQLMG-NHCUHLMSSA-N 0 3 338.426 3.655 20 30 EHEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OC[C@@H]2CCCO2)c1 ZINC000463242423 1037927820 /nfs/dbraw/zinc/92/78/20/1037927820.db2.gz MAFACOGPGJHMOL-QRQLOZEOSA-N 0 3 328.456 3.725 20 30 EHEDHN C[C@@H]1CC2(CN1Cc1ccc(C#N)cc1Br)CCOCC2 ZINC000592185003 1037931243 /nfs/dbraw/zinc/93/12/43/1037931243.db2.gz SXONOURFYJEWKJ-CYBMUJFWSA-N 0 3 349.272 3.712 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000592507360 1038016226 /nfs/dbraw/zinc/01/62/26/1038016226.db2.gz XPRDWKGHTHBMGF-PMACEKPBSA-N 0 3 341.499 3.662 20 30 EHEDHN C=C(C)CCC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001125868320 1038162814 /nfs/dbraw/zinc/16/28/14/1038162814.db2.gz URFDPZXLOXBTDV-UHFFFAOYSA-N 0 3 342.405 3.952 20 30 EHEDHN CCc1ccc([C@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000461729806 1038590510 /nfs/dbraw/zinc/59/05/10/1038590510.db2.gz JXRUTUWHPZCIER-KKSFZXQISA-N 0 3 349.478 3.643 20 30 EHEDHN CCc1ccc([C@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000461729804 1038590739 /nfs/dbraw/zinc/59/07/39/1038590739.db2.gz JXRUTUWHPZCIER-IERDGZPVSA-N 0 3 349.478 3.643 20 30 EHEDHN C=C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000462187228 1038826279 /nfs/dbraw/zinc/82/62/79/1038826279.db2.gz IMNLPAVYHHOOQS-UZKOGDIHSA-N 0 3 348.490 3.983 20 30 EHEDHN N#CC(=C([O-])c1cccc(C[NH+]2CCCC2)c1)c1nc2ccccc2[nH]1 ZINC000554305193 1039201216 /nfs/dbraw/zinc/20/12/16/1039201216.db2.gz FUTONEQPYNUTNQ-QGZVFWFLSA-N 0 3 344.418 3.649 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000911313896 1039328151 /nfs/dbraw/zinc/32/81/51/1039328151.db2.gz WXPGJSLDYVGNGT-OAHLLOKOSA-N 0 3 346.434 3.996 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H](c1ccccc1C)C(C)C ZINC000488706463 1039340961 /nfs/dbraw/zinc/34/09/61/1039340961.db2.gz CPYVBPUWGSVSHO-OXJNMPFZSA-N 0 3 329.488 3.632 20 30 EHEDHN CC(C)(CNC[C@@H](C#N)CCC#N)c1cccc(Br)c1 ZINC000554552458 1039454654 /nfs/dbraw/zinc/45/46/54/1039454654.db2.gz ZPMDVROUWDXNDP-CYBMUJFWSA-N 0 3 334.261 3.760 20 30 EHEDHN COCC[C@@H](c1ccccc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000554564630 1039480322 /nfs/dbraw/zinc/48/03/22/1039480322.db2.gz NGTYUACTBYATHO-IBGZPJMESA-N 0 3 335.451 3.717 20 30 EHEDHN C[C@@H](c1ccccc1)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CCCC1 ZINC000554851307 1039836103 /nfs/dbraw/zinc/83/61/03/1039836103.db2.gz GODCCTOUIMQLMF-HRAATJIYSA-N 0 3 339.483 3.801 20 30 EHEDHN C=C[C@@H](CC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1ccccc1 ZINC000533947831 1039965738 /nfs/dbraw/zinc/96/57/38/1039965738.db2.gz HKAGXZOGSHRIAO-ICSRJNTNSA-N 0 3 336.479 3.983 20 30 EHEDHN C=CCOc1cccc(CN2CCC(NC(=O)CCCCC)CC2)c1 ZINC000512644233 1040367913 /nfs/dbraw/zinc/36/79/13/1040367913.db2.gz KRGSVHVOYKGBBV-UHFFFAOYSA-N 0 3 344.499 3.912 20 30 EHEDHN CC(C)C[C@H](C)N(C)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433012398 1040446882 /nfs/dbraw/zinc/44/68/82/1040446882.db2.gz SHVNWSFNGDRNHV-HKUYNNGSSA-N 0 3 329.488 3.904 20 30 EHEDHN Cc1ccccc1CNC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433015409 1040451196 /nfs/dbraw/zinc/45/11/96/1040451196.db2.gz KDHOGRAKNXWQDY-FQEVSTJZSA-N 0 3 335.451 3.636 20 30 EHEDHN C[C@@H]1CCC[C@H](C)N1C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433021348 1040471058 /nfs/dbraw/zinc/47/10/58/1040471058.db2.gz QOCXPLLSRUHRFT-ZIFCJYIRSA-N 0 3 327.472 3.801 20 30 EHEDHN COc1ccccc1NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433032041 1040510302 /nfs/dbraw/zinc/51/03/02/1040510302.db2.gz QFUGRJLRRMTPTF-KRWDZBQOSA-N 0 3 337.423 3.658 20 30 EHEDHN CC1CC(C#N)(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)C1 ZINC000899671788 1040949284 /nfs/dbraw/zinc/94/92/84/1040949284.db2.gz CPECBOTUWRVILZ-UHFFFAOYSA-N 0 3 339.361 3.645 20 30 EHEDHN N#CCOc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192982106 1040953463 /nfs/dbraw/zinc/95/34/63/1040953463.db2.gz GIVXWTJZZOWVEU-LJQANCHMSA-N 0 3 337.379 3.664 20 30 EHEDHN CCOc1ccc(O)c(/C=N\C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000054893285 1041062959 /nfs/dbraw/zinc/06/29/59/1041062959.db2.gz ZAUSZSQHQCEFEC-UMUMUWHJSA-N 0 3 330.403 3.652 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000481687550 1041253384 /nfs/dbraw/zinc/25/33/84/1041253384.db2.gz BDQXDDWANDEHDG-DLBZAZTESA-N 0 3 335.536 3.931 20 30 EHEDHN C=CCOCCN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000549543439 1042060786 /nfs/dbraw/zinc/06/07/86/1042060786.db2.gz KDXSFWZLENRWOE-LJQANCHMSA-N 0 3 339.414 3.709 20 30 EHEDHN C=C[C@H](CC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1 ZINC000662885148 1042188016 /nfs/dbraw/zinc/18/80/16/1042188016.db2.gz RKEJKKQDHWMQLY-OXQOHEQNSA-N 0 3 336.435 3.646 20 30 EHEDHN CC[C@H](CN(CC)CC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000481734188 1042804285 /nfs/dbraw/zinc/80/42/85/1042804285.db2.gz JWCFNLFTZOUDMX-HXUWFJFHSA-N 0 3 349.478 3.690 20 30 EHEDHN N[C@@H]1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1F ZINC000663505001 1042953095 /nfs/dbraw/zinc/95/30/95/1042953095.db2.gz FVMWIDKQSHNCOZ-VXGBXAGGSA-N 0 3 344.274 3.595 20 30 EHEDHN CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N(C)C ZINC000106911931 1043102305 /nfs/dbraw/zinc/10/23/05/1043102305.db2.gz SNKAABBKICKBGD-IBGZPJMESA-N 0 3 337.423 3.875 20 30 EHEDHN C=CCOc1ccc(CN[C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000512233232 1044306237 /nfs/dbraw/zinc/30/62/37/1044306237.db2.gz HAKILYJGSVILPA-FQEVSTJZSA-N 0 3 336.435 3.537 20 30 EHEDHN C=CCOc1ccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1OC ZINC000344849733 1044528339 /nfs/dbraw/zinc/52/83/39/1044528339.db2.gz VCTYJZYMPVFZOQ-LJQANCHMSA-N 0 3 343.471 3.871 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000876702520 1137659409 /nfs/dbraw/zinc/65/94/09/1137659409.db2.gz AQUHZJZHMJIZTE-LLVKDONJSA-N 0 3 333.646 3.569 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000183447944 1125567918 /nfs/dbraw/zinc/56/79/18/1125567918.db2.gz FKFSBUYWXGPUCV-UHFFFAOYSA-N 0 3 327.378 3.913 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000179347263 1127058187 /nfs/dbraw/zinc/05/81/87/1127058187.db2.gz BNZUGCGUXLLHPV-OXJNMPFZSA-N 0 3 341.499 3.650 20 30 EHEDHN C=CCC[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000180049585 1127114420 /nfs/dbraw/zinc/11/44/20/1127114420.db2.gz IKJAKKTWZMEMTB-SFHVURJKSA-N 0 3 325.456 3.626 20 30 EHEDHN C=CCNC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000181969741 1127305523 /nfs/dbraw/zinc/30/55/23/1127305523.db2.gz UMJYZSDLTHSJIG-OAHLLOKOSA-N 0 3 328.378 3.684 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2cccc(NC(=O)CC)c2)cc1 ZINC000765050296 1127567003 /nfs/dbraw/zinc/56/70/03/1127567003.db2.gz XASVDJXWSZIKPY-INIZCTEOSA-N 0 3 336.435 3.898 20 30 EHEDHN C=CCOc1ccc(CNCc2c(C)nc3sc(C)cn23)cc1 ZINC000671723956 1128136018 /nfs/dbraw/zinc/13/60/18/1128136018.db2.gz FPRCFHAMSXTXEF-UHFFFAOYSA-N 0 3 327.453 3.867 20 30 EHEDHN N#Cc1cccnc1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000301267405 1128581091 /nfs/dbraw/zinc/58/10/91/1128581091.db2.gz IPZPFTKAWXCDQG-MRXNPFEDSA-N 0 3 346.356 3.658 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1snc(Cl)c1C#N ZINC000301504426 1128593803 /nfs/dbraw/zinc/59/38/03/1128593803.db2.gz CEGDDWKAHXNDQA-WFASDCNBSA-N 0 3 346.887 3.991 20 30 EHEDHN C=CCN(CC=C)C(=O)CN1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000302812642 1128649279 /nfs/dbraw/zinc/64/92/79/1128649279.db2.gz YHZWJEVTYROILW-FQEVSTJZSA-N 0 3 342.483 3.813 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000303881510 1128704598 /nfs/dbraw/zinc/70/45/98/1128704598.db2.gz QZXBPTVDIOEOAA-SOLBZPMBSA-N 0 3 332.463 3.817 20 30 EHEDHN C=C(CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000508902049 1128733137 /nfs/dbraw/zinc/73/31/37/1128733137.db2.gz ZUDHWGJSQFJAQQ-XLIONFOSSA-N 0 3 337.467 3.690 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000175433723 1120373290 /nfs/dbraw/zinc/37/32/90/1120373290.db2.gz KSOJDXSTHRFENE-KSMMKXTCSA-N 0 3 347.890 3.572 20 30 EHEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000192138196 1120717724 /nfs/dbraw/zinc/71/77/24/1120717724.db2.gz BSJOWFFTWPVLHW-MSOLQXFVSA-N 0 3 332.325 3.595 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)C2(Br)CC2)c1 ZINC000925416653 1120932570 /nfs/dbraw/zinc/93/25/70/1120932570.db2.gz DNNHBFOQAJNONJ-GXTWGEPZSA-N 0 3 337.261 3.773 20 30 EHEDHN CCCCCCCCCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000914879659 1121034574 /nfs/dbraw/zinc/03/45/74/1121034574.db2.gz OTGHDSSUKZVZKX-IBGZPJMESA-N 0 3 338.536 3.840 20 30 EHEDHN COC(=O)Nc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000496848364 1122193475 /nfs/dbraw/zinc/19/34/75/1122193475.db2.gz QZSCRRKHWXYCPS-GFCCVEGCSA-N 0 3 327.359 3.726 20 30 EHEDHN N#CC(C(=O)C[C@@H]1C=CCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130463632 1122334386 /nfs/dbraw/zinc/33/43/86/1122334386.db2.gz XIIUBZTYSHVCSH-YGRLFVJLSA-N 0 3 337.206 3.997 20 30 EHEDHN Cc1cc(C(C#N)C(=O)C=Cc2nc3ccccc3s2)nc(C)n1 ZINC000916880098 1122377913 /nfs/dbraw/zinc/37/79/13/1122377913.db2.gz JYQKIHYDSPWCCC-WSROAFLRSA-N 0 3 334.404 3.593 20 30 EHEDHN C[C@H](N(C)CC(=O)C(C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000917098987 1122493306 /nfs/dbraw/zinc/49/33/06/1122493306.db2.gz YFLPLUSMDCIGRQ-STQMWFEESA-N 0 3 329.469 3.839 20 30 EHEDHN C=CCOc1cccc(CN[C@@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000556407296 1122964458 /nfs/dbraw/zinc/96/44/58/1122964458.db2.gz DVIHKNQCACMVDY-NRFANRHFSA-N 0 3 340.467 3.653 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCSC(C)(C)C)cc1 ZINC000155153409 1123255191 /nfs/dbraw/zinc/25/51/91/1123255191.db2.gz OFQBGMCYEDGTOP-OAHLLOKOSA-N 0 3 348.468 3.654 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H](C)OCC(C)C ZINC000920790213 1123423643 /nfs/dbraw/zinc/42/36/43/1123423643.db2.gz RXJWWTQHKRFHGX-WMLDXEAASA-N 0 3 344.455 3.520 20 30 EHEDHN CC(C)(C#N)c1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000618312205 1125043774 /nfs/dbraw/zinc/04/37/74/1125043774.db2.gz LIZQRNXJQVROGN-GDBMZVCRSA-N 0 3 340.389 3.623 20 30 EHEDHN COc1cc(CNC[C@@H](OC)c2ccccc2Cl)ccc1C#N ZINC000619654265 1125378638 /nfs/dbraw/zinc/37/86/38/1125378638.db2.gz AQVUVWPQICZYIY-GOSISDBHSA-N 0 3 330.815 3.698 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)Nc1cccc2c1CN(CCCC)C2 ZINC000066967140 1129230495 /nfs/dbraw/zinc/23/04/95/1129230495.db2.gz UCOSJXKWUCRTET-QGZVFWFLSA-N 0 3 341.499 3.803 20 30 EHEDHN C[C@H]1Cc2cc(CNC3(c4cccc(C#N)c4)CCOCC3)ccc2O1 ZINC000922255599 1129407594 /nfs/dbraw/zinc/40/75/94/1129407594.db2.gz WMHHQYVTYPNQSF-INIZCTEOSA-N 0 3 348.446 3.677 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000466375991 1129409234 /nfs/dbraw/zinc/40/92/34/1129409234.db2.gz BNJCFAMSTCCGQJ-RTBURBONSA-N 0 3 329.488 3.647 20 30 EHEDHN Cc1ccc(NC(=O)C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)nc1 ZINC000118394183 1129507673 /nfs/dbraw/zinc/50/76/73/1129507673.db2.gz GLCFJEUCXBROJF-INIZCTEOSA-N 0 3 348.450 3.673 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3OCCc4ccccc43)nc21 ZINC000735792115 1131380579 /nfs/dbraw/zinc/38/05/79/1131380579.db2.gz HUBHGDONIYAZAC-QFBILLFUSA-N 0 3 345.402 3.752 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)nc21 ZINC000735791695 1131380743 /nfs/dbraw/zinc/38/07/43/1131380743.db2.gz BOUXMKLUPZNAPD-OWCLPIDISA-N 0 3 333.366 3.990 20 30 EHEDHN CC(C)N(CC(=O)NC1(C#N)CCCCC1)[C@@H](C)c1ccccc1 ZINC000428860664 1129542908 /nfs/dbraw/zinc/54/29/08/1129542908.db2.gz HKUINJBNHVRDFR-KRWDZBQOSA-N 0 3 327.472 3.801 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000922538367 1129565299 /nfs/dbraw/zinc/56/52/99/1129565299.db2.gz QNWGYZRSERNYGI-ZIAGYGMSSA-N 0 3 325.368 3.736 20 30 EHEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000922538366 1129565378 /nfs/dbraw/zinc/56/53/78/1129565378.db2.gz QNWGYZRSERNYGI-UONOGXRCSA-N 0 3 325.368 3.736 20 30 EHEDHN C[C@H]1CCN(Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000093811207 1129604180 /nfs/dbraw/zinc/60/41/80/1129604180.db2.gz LOYVTXFKZGCGHD-INIZCTEOSA-N 0 3 325.481 3.716 20 30 EHEDHN CCOC(=O)C1CCC(N(CC)Cc2cccc(F)c2C#N)CC1 ZINC000428964441 1129644239 /nfs/dbraw/zinc/64/42/39/1129644239.db2.gz OSMCGYBVEDYOIF-UHFFFAOYSA-N 0 3 332.419 3.641 20 30 EHEDHN N#Cc1ccc(CN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cc1 ZINC000125532539 1129700022 /nfs/dbraw/zinc/70/00/22/1129700022.db2.gz VMCALHFGCKYGPP-UHFFFAOYSA-N 0 3 334.345 3.680 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000163370843 1129931585 /nfs/dbraw/zinc/93/15/85/1129931585.db2.gz SSQZESOMDUMEJQ-UHFFFAOYSA-N 0 3 349.478 3.503 20 30 EHEDHN C#CCN(CCc1nc(-c2ccccc2)no1)[C@@H]1CCc2ccccc21 ZINC000733897391 1131162926 /nfs/dbraw/zinc/16/29/26/1131162926.db2.gz DPCSHJZRWYNHGN-HXUWFJFHSA-N 0 3 343.430 3.902 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741782882 1131646813 /nfs/dbraw/zinc/64/68/13/1131646813.db2.gz YJRBNNAICLHDHQ-KXBFYZLASA-N 0 3 335.407 3.576 20 30 EHEDHN C[C@H](CCCC#N)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001172499280 1131759616 /nfs/dbraw/zinc/75/96/16/1131759616.db2.gz WASNVQCHITZPGP-OAHLLOKOSA-N 0 3 339.405 3.905 20 30 EHEDHN C[C@H](CCCC#N)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001172500814 1131761076 /nfs/dbraw/zinc/76/10/76/1131761076.db2.gz AIGIWRCNUAEUCX-CQSZACIVSA-N 0 3 341.377 3.790 20 30 EHEDHN C=CCOc1ccccc1[C@H](C)N[C@@H]1COc2cccc(OC)c2C1 ZINC001173160616 1131988712 /nfs/dbraw/zinc/98/87/12/1131988712.db2.gz JEQCVAXLRVYPIN-HOTGVXAUSA-N 0 3 339.435 3.914 20 30 EHEDHN COc1cccc2c1C[C@H](N1CCC(c3cccc(C#N)c3)CC1)CO2 ZINC001173162425 1131989838 /nfs/dbraw/zinc/98/98/38/1131989838.db2.gz VTLZZBBTCIQFCY-IBGZPJMESA-N 0 3 348.446 3.750 20 30 EHEDHN N=C(NC1CCC(Oc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC001173194912 1131995297 /nfs/dbraw/zinc/99/52/97/1131995297.db2.gz CPYRUROZCWKHCI-UHFFFAOYSA-N 0 3 329.831 3.831 20 30 EHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1cccc2ccccc21)c1ccco1 ZINC000744030070 1132006905 /nfs/dbraw/zinc/00/69/05/1132006905.db2.gz ZDNQRTXBYLIHFB-BBRMVZONSA-N 0 3 332.359 3.884 20 30 EHEDHN COc1cccc(-c2nc(CNC3CCC(CC#N)CC3)co2)c1 ZINC001173331301 1132048926 /nfs/dbraw/zinc/04/89/26/1132048926.db2.gz BJYSNZPXKIQFNK-UHFFFAOYSA-N 0 3 325.412 3.912 20 30 EHEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 ZINC000181918076 1132179908 /nfs/dbraw/zinc/17/99/08/1132179908.db2.gz HAGVMAGFBZMHLQ-HNNXBMFYSA-N 0 3 336.826 3.623 20 30 EHEDHN COC(=O)c1sc(Nc2ccccc2CN(C)C)c(C#N)c1C ZINC001173929711 1132188044 /nfs/dbraw/zinc/18/80/44/1132188044.db2.gz UYNJTMZVSXWJPL-UHFFFAOYSA-N 0 3 329.425 3.520 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000766989272 1132921944 /nfs/dbraw/zinc/92/19/44/1132921944.db2.gz UFEBFHNFEMXWLC-SQNIBIBYSA-N 0 3 327.472 3.608 20 30 EHEDHN C#CCN(C[C@@H](O)COCc1ccccc1)[C@H]1CCCc2ccccc21 ZINC001176452658 1132937819 /nfs/dbraw/zinc/93/78/19/1132937819.db2.gz LPHOTJHBQWDKNW-GGAORHGYSA-N 0 3 349.474 3.577 20 30 EHEDHN C=CCCCN(CC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001176797576 1132999102 /nfs/dbraw/zinc/99/91/02/1132999102.db2.gz AOZWVNHNOAXKDH-UHFFFAOYSA-N 0 3 327.472 3.838 20 30 EHEDHN CC(C)(C#N)c1ccc(CNCc2ccc(-n3cccn3)cc2)cc1 ZINC001177262164 1133049400 /nfs/dbraw/zinc/04/94/00/1133049400.db2.gz PGIDXZBORDXXJE-UHFFFAOYSA-N 0 3 330.435 3.963 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1csc(-c2ccncc2)n1 ZINC001177908838 1133111316 /nfs/dbraw/zinc/11/13/16/1133111316.db2.gz OCEDNNLATGTYIR-LBPRGKRZSA-N 0 3 340.433 3.588 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H](F)c1ccccc1 ZINC000769280686 1133254164 /nfs/dbraw/zinc/25/41/64/1133254164.db2.gz CNHFJIGSEYQLHO-DOMZBBRYSA-N 0 3 348.736 3.837 20 30 EHEDHN C[C@@H]1COCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000769457857 1133294732 /nfs/dbraw/zinc/29/47/32/1133294732.db2.gz VRCBIXOINARLNI-KRWDZBQOSA-N 0 3 336.435 3.606 20 30 EHEDHN C[C@@H](C(=O)N(C1CCCC1)C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC001182792654 1133728600 /nfs/dbraw/zinc/72/86/00/1133728600.db2.gz HGLBLIVIUIQAMX-MRXNPFEDSA-N 0 3 339.483 3.527 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000786295213 1133828363 /nfs/dbraw/zinc/82/83/63/1133828363.db2.gz BBQWCWWAIBCAMV-GOEBONIOSA-N 0 3 339.439 3.677 20 30 EHEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000786314505 1133836354 /nfs/dbraw/zinc/83/63/54/1133836354.db2.gz YQNFEMCPDYWBIJ-JCGIZDLHSA-N 0 3 326.440 3.537 20 30 EHEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786555490 1133875106 /nfs/dbraw/zinc/87/51/06/1133875106.db2.gz UBYJPLMEEKDFSC-LRDDRELGSA-N 0 3 348.393 3.506 20 30 EHEDHN C[C@@H](OC(=O)CCN1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000786826102 1133904814 /nfs/dbraw/zinc/90/48/14/1133904814.db2.gz PNYOANMNIWVKLU-MRXNPFEDSA-N 0 3 334.419 3.611 20 30 EHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(N2CCOC2=O)c1 ZINC000787030003 1133940942 /nfs/dbraw/zinc/94/09/42/1133940942.db2.gz ZLTXYZASWITQNL-XOBRGWDASA-N 0 3 347.418 3.853 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000787066338 1133945356 /nfs/dbraw/zinc/94/53/56/1133945356.db2.gz LAMYUKBGMBUUPU-IAGOWNOFSA-N 0 3 326.440 3.570 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1ccc(F)cc1C ZINC000746661943 1133972401 /nfs/dbraw/zinc/97/24/01/1133972401.db2.gz OKWMWMIXOCJQBP-FQEVSTJZSA-N 0 3 329.415 3.864 20 30 EHEDHN C#CCC1(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CCCCC1 ZINC000788233625 1134104035 /nfs/dbraw/zinc/10/40/35/1134104035.db2.gz WHYRSPPAWZLJOK-ICSRJNTNSA-N 0 3 338.495 3.739 20 30 EHEDHN N#CCOc1ccc(Cl)cc1CN1CCC2(CCOCC2)CC1 ZINC000792932637 1134829752 /nfs/dbraw/zinc/82/97/52/1134829752.db2.gz AVDLFYLAADUQPR-UHFFFAOYSA-N 0 3 334.847 3.635 20 30 EHEDHN COCC1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)CCC1 ZINC000793122698 1134850727 /nfs/dbraw/zinc/85/07/27/1134850727.db2.gz VEKGRTVHYVUDSH-NSHDSACASA-N 0 3 334.828 3.943 20 30 EHEDHN N#CCCCCCC(=O)O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000805905484 1135348084 /nfs/dbraw/zinc/34/80/84/1135348084.db2.gz NUQJLOYCYGLAID-HXUWFJFHSA-N 0 3 340.467 3.767 20 30 EHEDHN C#CC[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000805917286 1135350117 /nfs/dbraw/zinc/35/01/17/1135350117.db2.gz HEIQOCUONKRNCH-IBGZPJMESA-N 0 3 327.468 3.880 20 30 EHEDHN C=CC[C@H](CCc1ccccc1)OC(=O)C1CCN(C2CC2)CC1 ZINC000805947565 1135354343 /nfs/dbraw/zinc/35/43/43/1135354343.db2.gz PLGGFWWKZGCYAA-HXUWFJFHSA-N 0 3 327.468 3.982 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCCC(C)(C)C)c1 ZINC000805925656 1135356217 /nfs/dbraw/zinc/35/62/17/1135356217.db2.gz FHSVUHXVIUICCZ-QGZVFWFLSA-N 0 3 328.456 3.927 20 30 EHEDHN C#Cc1cccc(NC(=S)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000806609841 1135469615 /nfs/dbraw/zinc/46/96/15/1135469615.db2.gz SQCYDPYECAIDDH-UZLBHIALSA-N 0 3 349.503 3.617 20 30 EHEDHN C#CCN(Cc1ccccc1)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000807402064 1135542092 /nfs/dbraw/zinc/54/20/92/1135542092.db2.gz XYSGBOLSNNDNDV-NQIIRXRSSA-N 0 3 349.478 3.523 20 30 EHEDHN C=CCc1cc(OC)cc(CN(C)Cc2ccccc2N(C)C)c1O ZINC000808235876 1135639371 /nfs/dbraw/zinc/63/93/71/1135639371.db2.gz JHUWBMKSRZZKCO-UHFFFAOYSA-N 0 3 340.467 3.827 20 30 EHEDHN Clc1cccc(C#CCN2C[C@H]3COC[C@@]3(c3ccccc3)C2)c1 ZINC001197682339 1135724828 /nfs/dbraw/zinc/72/48/28/1135724828.db2.gz OBKBYCCYOWIEKW-PZJWPPBQSA-N 0 3 337.850 3.592 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](C3CC3)C2)cc1 ZINC000808778483 1135735084 /nfs/dbraw/zinc/73/50/84/1135735084.db2.gz YGZCUDAIYHYNHY-MJGOQNOKSA-N 0 3 339.483 3.752 20 30 EHEDHN C#C[C@H](NCCOC(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000775794136 1135747519 /nfs/dbraw/zinc/74/75/19/1135747519.db2.gz PGBLZUPCRKNMKX-SFTDATJTSA-N 0 3 335.447 3.563 20 30 EHEDHN C#C[C@@H](NCc1ccc(OCC(F)(F)F)c(OCC)c1)C(C)C ZINC000809685295 1135871404 /nfs/dbraw/zinc/87/14/04/1135871404.db2.gz LXKUIVMBFNCDIX-CQSZACIVSA-N 0 3 329.362 3.774 20 30 EHEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128372 1135925047 /nfs/dbraw/zinc/92/50/47/1135925047.db2.gz GQJNRAORSSUCKC-SFHVURJKSA-N 0 3 332.447 3.906 20 30 EHEDHN N#Cc1cc(O)ccc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201477752 1136032779 /nfs/dbraw/zinc/03/27/79/1136032779.db2.gz LASDQTJRRGCLKB-MOPGFXCFSA-N 0 3 331.419 3.997 20 30 EHEDHN N#CC(C(=O)C[C@]12CCCC[C@H]1C2(F)F)c1nc2ccccc2[nH]1 ZINC000850739437 1136298421 /nfs/dbraw/zinc/29/84/21/1136298421.db2.gz VGNFEQOKYUGLJF-RGYTYGDFSA-N 0 3 329.350 3.955 20 30 EHEDHN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852699856 1136479236 /nfs/dbraw/zinc/47/92/36/1136479236.db2.gz DVWWJGVTPGNIBC-JALIKCBVSA-N 0 3 339.464 3.735 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN2CCC3(C=Cc4ccccc4O3)CC2)cc1 ZINC000852730653 1136481264 /nfs/dbraw/zinc/48/12/64/1136481264.db2.gz UWLUVUPHCGMNHK-FQEVSTJZSA-N 0 3 346.430 3.532 20 30 EHEDHN CCCN1CCc2c(N)sc(Nc3ccc(OCC#N)cc3)c2C1 ZINC001212607941 1136501121 /nfs/dbraw/zinc/50/11/21/1136501121.db2.gz HWRKQQRJUVWNAK-UHFFFAOYSA-N 0 3 342.468 3.744 20 30 EHEDHN C#CCN(C)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815652607 1136626245 /nfs/dbraw/zinc/62/62/45/1136626245.db2.gz JOOAIJZKXZBVJK-NRFANRHFSA-N 0 3 336.479 3.611 20 30 EHEDHN C#CCOc1ccc(CNCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000113322459 1136696760 /nfs/dbraw/zinc/69/67/60/1136696760.db2.gz FTICYDIKVRYQGD-UHFFFAOYSA-N 0 3 349.352 3.930 20 30 EHEDHN CCc1ccc(C#CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC001135717828 1136758947 /nfs/dbraw/zinc/75/89/47/1136758947.db2.gz DJQZNZYTMKGXEJ-QFIPXVFZSA-N 0 3 346.474 3.554 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCCCCCC2)cc1 ZINC000856885025 1136820726 /nfs/dbraw/zinc/82/07/26/1136820726.db2.gz OTKBUYDFRWSJKP-SFHVURJKSA-N 0 3 327.472 3.896 20 30 EHEDHN N#CCCNCCCCCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000819244734 1136924157 /nfs/dbraw/zinc/92/41/57/1136924157.db2.gz TUWQJNISPVGBER-UHFFFAOYSA-N 0 3 332.835 3.996 20 30 EHEDHN CC(=O)N(C)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000858495392 1136973317 /nfs/dbraw/zinc/97/33/17/1136973317.db2.gz CNKKWJCBURJORL-NRFANRHFSA-N 0 3 333.435 3.708 20 30 EHEDHN CC(=O)N(C)c1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000858496364 1136973850 /nfs/dbraw/zinc/97/38/50/1136973850.db2.gz RELBQQBOCRCGBU-ZDUSSCGKSA-N 0 3 325.387 3.531 20 30 EHEDHN Cc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1C#N ZINC000859195621 1137007241 /nfs/dbraw/zinc/00/72/41/1137007241.db2.gz SGXGYVLGPKRDCC-YJBOKZPZSA-N 0 3 343.471 3.602 20 30 EHEDHN Cc1ccc(CN2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859240187 1137009326 /nfs/dbraw/zinc/00/93/26/1137009326.db2.gz VIMGWBOCEPFTSE-NVXWUHKLSA-N 0 3 343.471 3.602 20 30 EHEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000860468269 1137061831 /nfs/dbraw/zinc/06/18/31/1137061831.db2.gz BFIWEVQRARIHDP-AEFFLSMTSA-N 0 3 338.407 3.692 20 30 EHEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1)C1CC1 ZINC000860472765 1137061974 /nfs/dbraw/zinc/06/19/74/1137061974.db2.gz NRMXFWHWVUQHPX-IXDGSTSKSA-N 0 3 342.439 3.663 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000118141073 1137099222 /nfs/dbraw/zinc/09/92/22/1137099222.db2.gz VOIAPOYPGDQNQI-HOCLYGCPSA-N 0 3 345.402 3.706 20 30 EHEDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1F ZINC000823520562 1137104472 /nfs/dbraw/zinc/10/44/72/1137104472.db2.gz JFENTFIEVGYMKN-HZPDHXFCSA-N 0 3 347.434 3.623 20 30 EHEDHN N=C(Nc1cc(CN2CCCCC2)ccn1)c1ccc2ccccc2n1 ZINC001171040226 1137121080 /nfs/dbraw/zinc/12/10/80/1137121080.db2.gz MCDPUQJRSVWYOJ-UHFFFAOYSA-N 0 3 345.450 3.653 20 30 EHEDHN CCN(C(=O)c1sc2ccc(C#N)cc2c1C)C1CCN(C)CC1 ZINC000861890302 1137123726 /nfs/dbraw/zinc/12/37/26/1137123726.db2.gz HBGILQLRCMMSLM-UHFFFAOYSA-N 0 3 341.480 3.638 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCCC(C)(C)C)cc1 ZINC000805855327 1137125218 /nfs/dbraw/zinc/12/52/18/1137125218.db2.gz GXTVOMFCPLYEPT-INIZCTEOSA-N 0 3 330.428 3.949 20 30 EHEDHN C#CCOc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000824925868 1137157869 /nfs/dbraw/zinc/15/78/69/1137157869.db2.gz GZNFQCDWCIJZIP-UHFFFAOYSA-N 0 3 334.419 3.671 20 30 EHEDHN Cc1cc(NN=Cc2cn(C3CCCC3)nc2-c2ccccn2)ccn1 ZINC000863160370 1137171916 /nfs/dbraw/zinc/17/19/16/1137171916.db2.gz BFSLOXAJKGECNK-UHFFFAOYSA-N 0 3 346.438 3.632 20 30 EHEDHN CN(CCN(C)Cc1c(Cl)cccc1C#N)Cc1ccccc1 ZINC001143731688 1137194737 /nfs/dbraw/zinc/19/47/37/1137194737.db2.gz AUVBANYRFFXLHU-UHFFFAOYSA-N 0 3 327.859 3.775 20 30 EHEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1ccccc1 ZINC000865292031 1137275015 /nfs/dbraw/zinc/27/50/15/1137275015.db2.gz XJNLGLJPLUUQGZ-MRXNPFEDSA-N 0 3 349.459 3.995 20 30 EHEDHN N=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1ccc2cc(O)ccc2c1 ZINC001171181846 1137290948 /nfs/dbraw/zinc/29/09/48/1137290948.db2.gz DSFLSKLQKIJMNH-UHFFFAOYSA-N 0 3 334.404 3.747 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H]1CCOc2cc(F)cc(F)c21 ZINC001171191824 1137298611 /nfs/dbraw/zinc/29/86/11/1137298611.db2.gz GICCIASQRWLADM-PXAZEXFGSA-N 0 3 328.362 3.881 20 30 EHEDHN N#Cc1ccc(CNC[C@H](O)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000772926936 1137299424 /nfs/dbraw/zinc/29/94/24/1137299424.db2.gz IJTPLCUWRAULIV-INIZCTEOSA-N 0 3 338.304 3.539 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cn(Cc2ccccc2)cn1 ZINC001171197939 1137310188 /nfs/dbraw/zinc/31/01/88/1137310188.db2.gz FPCWSWFMCRYZBO-QGZVFWFLSA-N 0 3 330.435 3.524 20 30 EHEDHN C=CC[C@H](C)[C@H](C)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000846050904 1137330416 /nfs/dbraw/zinc/33/04/16/1137330416.db2.gz WKCTXLQWLYGLLG-OALUTQOASA-N 0 3 345.531 3.716 20 30 EHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2cc(Br)cnc12 ZINC001144703903 1137331580 /nfs/dbraw/zinc/33/15/80/1137331580.db2.gz PESWLPVVIGKWPQ-OJNYZHBWSA-N 0 3 345.244 3.592 20 30 EHEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc3scnc3c1)C2 ZINC001144737622 1137341020 /nfs/dbraw/zinc/34/10/20/1137341020.db2.gz XPLXCFWKBVULKT-APWZRJJASA-N 0 3 344.480 3.622 20 30 EHEDHN C[C@H](c1ccccc1)N1CCN([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171220600 1137346050 /nfs/dbraw/zinc/34/60/50/1137346050.db2.gz AFRZUOVZPAZLSD-RBUKOAKNSA-N 0 3 333.479 3.868 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(O)(c2ccccc2F)CC1 ZINC001171221695 1137347920 /nfs/dbraw/zinc/34/79/20/1137347920.db2.gz SKACZPIIZUVSAM-INIZCTEOSA-N 0 3 338.426 3.612 20 30 EHEDHN N#Cc1ccc(C2(NC[C@@H]3CN(c4ccccc4)C(=O)O3)CCC2)cc1 ZINC000847053200 1137385598 /nfs/dbraw/zinc/38/55/98/1137385598.db2.gz MBZDWEWBVJXONQ-LJQANCHMSA-N 0 3 347.418 3.552 20 30 EHEDHN C#CCOc1ccccc1CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000772989646 1137420952 /nfs/dbraw/zinc/42/09/52/1137420952.db2.gz XZJFFPYFPKHRDT-KRWDZBQOSA-N 0 3 331.419 3.735 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(CC#N)cc1)c1ccco1 ZINC000348219746 1137453459 /nfs/dbraw/zinc/45/34/59/1137453459.db2.gz DGELZUZAWNBCTI-WMLDXEAASA-N 0 3 340.427 3.597 20 30 EHEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@](C)(O)C(F)(F)F)cc1 ZINC000773118084 1137466685 /nfs/dbraw/zinc/46/66/85/1137466685.db2.gz MJPDMLWYOYTJAE-RISCZKNCSA-N 0 3 337.769 3.782 20 30 EHEDHN N#Cc1ccccc1O[C@H]1CCCN([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171806673 1137513979 /nfs/dbraw/zinc/51/39/79/1137513979.db2.gz IVDFVAHKBGCHBR-ROUUACIJSA-N 0 3 336.410 3.708 20 30 EHEDHN CC[C@@H]1C[C@H](NCC2(C#N)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171816751 1137514821 /nfs/dbraw/zinc/51/48/21/1137514821.db2.gz PJRQPHKUACZECG-MUJYYYPQSA-N 0 3 335.492 3.836 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(C#N)co2)CC12CCC2 ZINC001171845518 1137515656 /nfs/dbraw/zinc/51/56/56/1137515656.db2.gz YEEAAEQWSBPOEG-OAHLLOKOSA-N 0 3 345.443 3.563 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@@H]1CCOc2cc(F)cc(F)c21 ZINC001172298657 1137549006 /nfs/dbraw/zinc/54/90/06/1137549006.db2.gz ZWIBLBXCMMIKQA-YVEFUNNKSA-N 0 3 328.362 3.881 20 30 EHEDHN N#Cc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c(F)cc1F ZINC000876347631 1137649497 /nfs/dbraw/zinc/64/94/97/1137649497.db2.gz GYKGOHGLEMIHLI-VHSXEESVSA-N 0 3 348.271 3.523 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000876677164 1137658788 /nfs/dbraw/zinc/65/87/88/1137658788.db2.gz IRXCCDXMXDAUHI-MNOVXSKESA-N 0 3 341.160 3.530 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000876952526 1137666084 /nfs/dbraw/zinc/66/60/84/1137666084.db2.gz SFFHBUSIUOZHLE-CYBMUJFWSA-N 0 3 335.662 3.512 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCC(C)C)cc1F ZINC000876954146 1137666178 /nfs/dbraw/zinc/66/61/78/1137666178.db2.gz DAQGIEOXFUJLDQ-AWEZNQCLSA-N 0 3 328.815 3.659 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCCOC)cc1 ZINC000126275286 1137666757 /nfs/dbraw/zinc/66/67/57/1137666757.db2.gz PNUXRABIHORQQO-RHSMWYFYSA-N 0 3 330.428 3.664 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H](NCC(C)(C)C#N)CC[C@H]21 ZINC000877322402 1137674360 /nfs/dbraw/zinc/67/43/60/1137674360.db2.gz FYJRQYJXELDMER-BZUAXINKSA-N 0 3 335.492 3.694 20 30 EHEDHN Cc1cc(CN(C)CCc2cccc(C#N)c2)ncc1Br ZINC000877704417 1137686389 /nfs/dbraw/zinc/68/63/89/1137686389.db2.gz HXTQLKGROKGBIL-UHFFFAOYSA-N 0 3 344.256 3.699 20 30 EHEDHN CC(C)(C#N)c1ccc(CN2Cc3cccnc3N3CCC[C@@H]3C2)cc1 ZINC000877714578 1137686700 /nfs/dbraw/zinc/68/67/00/1137686700.db2.gz ZZIUTGDPJAWLKZ-HXUWFJFHSA-N 0 3 346.478 3.867 20 30 EHEDHN COc1cc(CN2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)ccc1C#N ZINC000877783931 1137689701 /nfs/dbraw/zinc/68/97/01/1137689701.db2.gz KZZUJWKROSXABU-QGZVFWFLSA-N 0 3 338.455 3.793 20 30 EHEDHN COc1cc(CN2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)ccc1C#N ZINC000877783931 1137689702 /nfs/dbraw/zinc/68/97/02/1137689702.db2.gz KZZUJWKROSXABU-QGZVFWFLSA-N 0 3 338.455 3.793 20 30 EHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(C(F)(F)F)s1 ZINC000877807623 1137690602 /nfs/dbraw/zinc/69/06/02/1137690602.db2.gz XSJGWCGAHGCWGP-NSHDSACASA-N 0 3 332.391 3.955 20 30 EHEDHN Cc1ccc(CCCCC(=O)C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000126929831 1137704717 /nfs/dbraw/zinc/70/47/17/1137704717.db2.gz NPADPRGURMXFPT-HXUWFJFHSA-N 0 3 348.446 3.733 20 30 EHEDHN CSC[C@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878646722 1137723590 /nfs/dbraw/zinc/72/35/90/1137723590.db2.gz GRDHRCJULHQOCJ-HKUYNNGSSA-N 0 3 330.497 3.502 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)o1 ZINC000880276120 1137772845 /nfs/dbraw/zinc/77/28/45/1137772845.db2.gz BHEOYUZYRDZPOD-MRXNPFEDSA-N 0 3 332.407 3.921 20 30 EHEDHN C[C@@H](C#N)OCCNC1(c2cc(Cl)cc(Br)c2)CC1 ZINC000880352534 1137775914 /nfs/dbraw/zinc/77/59/14/1137775914.db2.gz VRBNENGHYDQXNE-JTQLQIEISA-N 0 3 343.652 3.610 20 30 EHEDHN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000128754879 1137797043 /nfs/dbraw/zinc/79/70/43/1137797043.db2.gz ZPXJXHCXVVWTGL-GFCCVEGCSA-N 0 3 348.761 3.904 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCSC)cc1 ZINC000131039461 1137845344 /nfs/dbraw/zinc/84/53/44/1137845344.db2.gz KGCDITUTMYZMQA-CZUORRHYSA-N 0 3 332.469 3.991 20 30 EHEDHN C=CCCC[C@H](NCc1ccc(-n2cncn2)nc1)c1ccccc1 ZINC000883173174 1137847134 /nfs/dbraw/zinc/84/71/34/1137847134.db2.gz DURGDQBXWZFTSO-IBGZPJMESA-N 0 3 333.439 3.850 20 30 EHEDHN C=CCC[C@H](NCc1cc(-c2ccccc2OC)no1)[C@@H]1CCCO1 ZINC000883237337 1137850013 /nfs/dbraw/zinc/85/00/13/1137850013.db2.gz YTBQGVZHOLSYIM-PXNSSMCTSA-N 0 3 342.439 3.954 20 30 EHEDHN C=CCCC[C@@H](NCc1ccc(C(=O)N(C)C)[nH]1)c1ccccc1 ZINC000883324707 1137854924 /nfs/dbraw/zinc/85/49/24/1137854924.db2.gz AXADABFHGQIRCM-GOSISDBHSA-N 0 3 325.456 3.904 20 30 EHEDHN C=C(C)CN(CC)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000105025676 1137879928 /nfs/dbraw/zinc/87/99/28/1137879928.db2.gz GVAFDGXKKTWVST-UHFFFAOYSA-N 0 3 347.528 3.708 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H]2CC[C@H](C)C2)c1C ZINC000429561698 1137885831 /nfs/dbraw/zinc/88/58/31/1137885831.db2.gz SENFHBDTUXGTMR-YJBOKZPZSA-N 0 3 327.472 3.671 20 30 EHEDHN N#Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)c(Cl)c1 ZINC000332525896 1137946337 /nfs/dbraw/zinc/94/63/37/1137946337.db2.gz SBFCSCNJUZBMDO-UHFFFAOYSA-N 0 3 346.862 3.694 20 30 EHEDHN CN(C)c1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1F ZINC000069628757 1138089601 /nfs/dbraw/zinc/08/96/01/1138089601.db2.gz YCEGYFMEDBVFSG-UHFFFAOYSA-N 0 3 340.446 3.531 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](c2cnn(C)c2)C(C)C)c1 ZINC000886547478 1138094290 /nfs/dbraw/zinc/09/42/90/1138094290.db2.gz MAOUAFWYSQHGPC-IEBWSBKVSA-N 0 3 326.444 3.588 20 30 EHEDHN C#CCN(C(=O)c1sc2cccc(F)c2c1C)C1CCN(C)CC1 ZINC000886585339 1138099258 /nfs/dbraw/zinc/09/92/58/1138099258.db2.gz RLGGRISKJYKPGJ-UHFFFAOYSA-N 0 3 344.455 3.518 20 30 EHEDHN C[C@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccccc1SCC#N ZINC000072663552 1138106869 /nfs/dbraw/zinc/10/68/69/1138106869.db2.gz ORAXPWRGJQUMGH-ZOBUZTSGSA-N 0 3 343.496 3.894 20 30 EHEDHN CC(C)(CCC#N)CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000092939091 1138232868 /nfs/dbraw/zinc/23/28/68/1138232868.db2.gz ZGVOHVIQYRNEJR-UHFFFAOYSA-N 0 3 329.444 3.523 20 30 EHEDHN Cc1c(CN2CCSCC2)cccc1NCc1ccc(C#N)o1 ZINC000125602379 1138312376 /nfs/dbraw/zinc/31/23/76/1138312376.db2.gz XMCVSQWGUCOUKF-UHFFFAOYSA-N 0 3 327.453 3.621 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000126515384 1138332200 /nfs/dbraw/zinc/33/22/00/1138332200.db2.gz HSCJCQMDOKSEAW-ROUUACIJSA-N 0 3 341.499 3.527 20 30 EHEDHN COc1cc(CN(C)Cc2ccc(OCC#N)cc2)ccc1SC ZINC000264101075 1138419019 /nfs/dbraw/zinc/41/90/19/1138419019.db2.gz HUCWARGUUKAWKW-UHFFFAOYSA-N 0 3 342.464 3.951 20 30 EHEDHN C=CCN1CC[C@@H](N[C@@H](CCc2ccccc2)c2ccccc2)C1=O ZINC000337175263 1138485803 /nfs/dbraw/zinc/48/58/03/1138485803.db2.gz HUUUSNWVNRJYIM-LEWJYISDSA-N 0 3 334.463 3.737 20 30 EHEDHN CSc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000337214490 1138497151 /nfs/dbraw/zinc/49/71/51/1138497151.db2.gz FDSOKAXRRXDLLZ-ZIAGYGMSSA-N 0 3 339.464 3.958 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2sc(C(C)(C)C)nc2C)CC1 ZINC000264503238 1138539257 /nfs/dbraw/zinc/53/92/57/1138539257.db2.gz QTMDVFMFXFDPDT-UHFFFAOYSA-N 0 3 335.517 3.519 20 30 EHEDHN Clc1ccc(C#CCN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000152154179 1139075915 /nfs/dbraw/zinc/07/59/15/1139075915.db2.gz KRHAPNCRYKJZQU-INIZCTEOSA-N 0 3 340.858 3.567 20 30 EHEDHN Clc1ccc(C#CCN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000152154179 1139075923 /nfs/dbraw/zinc/07/59/23/1139075923.db2.gz KRHAPNCRYKJZQU-INIZCTEOSA-N 0 3 340.858 3.567 20 30 EHEDHN Clc1cccc(C#CCN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000152173653 1139078053 /nfs/dbraw/zinc/07/80/53/1139078053.db2.gz KJVUXOWCKLTVSO-MRXNPFEDSA-N 0 3 340.858 3.567 20 30 EHEDHN Clc1cccc(C#CCN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000152173653 1139078061 /nfs/dbraw/zinc/07/80/61/1139078061.db2.gz KJVUXOWCKLTVSO-MRXNPFEDSA-N 0 3 340.858 3.567 20 30 EHEDHN CCCN(C(=O)CC(C)(C)C#N)C1CCN(Cc2ccccc2)CC1 ZINC000889489717 1139218714 /nfs/dbraw/zinc/21/87/14/1139218714.db2.gz VPKGNAJBHQYNCM-UHFFFAOYSA-N 0 3 341.499 3.829 20 30 EHEDHN CC1CCN([C@H](CNCc2ccc(C#N)o2)c2cccs2)CC1 ZINC000174240044 1139408109 /nfs/dbraw/zinc/40/81/09/1139408109.db2.gz RBGZHXNBQPCNJZ-QGZVFWFLSA-N 0 3 329.469 3.776 20 30 EHEDHN C=CCCCC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000178813518 1139719250 /nfs/dbraw/zinc/71/92/50/1139719250.db2.gz ONIIAVLDEUVCHK-GOSISDBHSA-N 0 3 338.455 3.625 20 30 EHEDHN C=CCC[C@@H](NC(=O)NC1CCN(CC=C)CC1)c1ccccc1 ZINC000178954569 1139726464 /nfs/dbraw/zinc/72/64/64/1139726464.db2.gz YXDQPHUZDNKVBM-LJQANCHMSA-N 0 3 327.472 3.644 20 30 EHEDHN C[C@H]1CN(CC(=O)Nc2ccccc2SCC#N)[C@H]2CCCC[C@H]12 ZINC000182502158 1139976481 /nfs/dbraw/zinc/97/64/81/1139976481.db2.gz NIQQWCROYKTVRF-UXLLHSPISA-N 0 3 343.496 3.751 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2c(C)oc3ccccc32)CC1 ZINC000184590064 1140110288 /nfs/dbraw/zinc/11/02/88/1140110288.db2.gz POLZDCXMEZZCPS-UHFFFAOYSA-N 0 3 341.455 3.581 20 30 EHEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000185788905 1140170028 /nfs/dbraw/zinc/17/00/28/1140170028.db2.gz AICVZCSQFGDFSG-QAPCUYQASA-N 0 3 325.456 3.987 20 30 EHEDHN COc1ccc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000269722306 1141138074 /nfs/dbraw/zinc/13/80/74/1141138074.db2.gz UTNYCASIOHMZSP-DLBZAZTESA-N 0 3 342.464 3.716 20 30 EHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000270156636 1141186316 /nfs/dbraw/zinc/18/63/16/1141186316.db2.gz SVCGSUGQDBFUQS-IQMFZBJNSA-N 0 3 329.465 3.840 20 30 EHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000274201966 1141485134 /nfs/dbraw/zinc/48/51/34/1141485134.db2.gz LBAFZCKGYUPHSC-OSAQELSMSA-N 0 3 335.245 3.945 20 30 EHEDHN CN1CC[C@H](NCC#Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000583963524 1014768291 /nfs/dbraw/zinc/76/82/91/1014768291.db2.gz OWXYPGANTXPKKY-VQTJNVASSA-N 0 3 342.845 3.866 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCSC ZINC000131007378 1125501317 /nfs/dbraw/zinc/50/13/17/1125501317.db2.gz QRGJWBHGIIXFHM-HNNXBMFYSA-N 0 3 332.469 3.602 20 30 EHEDHN CCN1CCN(c2ccccc2NC2CCC(C)(C#N)CC2)CC1 ZINC000449045058 1032117894 /nfs/dbraw/zinc/11/78/94/1032117894.db2.gz DKYQGZQIGVLXGG-UHFFFAOYSA-N 0 3 326.488 3.713 20 30 EHEDHN CCN(CC)[C@H](CNC(=O)Nc1cccc(C#N)c1)c1ccsc1 ZINC000043329571 1016339785 /nfs/dbraw/zinc/33/97/85/1016339785.db2.gz YTABXYDMDZSWFU-QGZVFWFLSA-N 0 3 342.468 3.824 20 30 EHEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1cccc(C#N)c1 ZINC000189867881 1016756218 /nfs/dbraw/zinc/75/62/18/1016756218.db2.gz OBRVSEMLVMIVHF-MRXNPFEDSA-N 0 3 335.451 3.843 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000538153704 1032177259 /nfs/dbraw/zinc/17/72/59/1032177259.db2.gz WIPNBAQYKBXDBE-VQTJNVASSA-N 0 3 329.488 3.808 20 30 EHEDHN CCO[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@H]1SC ZINC000459487137 1032180468 /nfs/dbraw/zinc/18/04/68/1032180468.db2.gz VPBFFODHGVBBOU-ARFHVFGLSA-N 0 3 343.414 3.556 20 30 EHEDHN Cc1cccc([C@H](NCC(=O)NCc2ccc(C#N)cc2)C(C)(C)C)c1 ZINC000538235012 1032241990 /nfs/dbraw/zinc/24/19/90/1032241990.db2.gz RTHHIGAZDBHESC-NRFANRHFSA-N 0 3 349.478 3.860 20 30 EHEDHN C=CCCCC[C@H](C)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000449219260 1032335653 /nfs/dbraw/zinc/33/56/53/1032335653.db2.gz NDBYQHRIKUNEJT-LBPRGKRZSA-N 0 3 326.366 3.973 20 30 EHEDHN CC(C)COc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000594427975 1033388201 /nfs/dbraw/zinc/38/82/01/1033388201.db2.gz KCYVWIAAZWKOIV-HNNXBMFYSA-N 0 3 337.851 3.725 20 30 EHEDHN C=CCNC(=O)CN[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000537123088 1032521880 /nfs/dbraw/zinc/52/18/80/1032521880.db2.gz CABIFLMPYHUXSQ-RBBKRZOGSA-N 0 3 334.463 3.740 20 30 EHEDHN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000537232834 1032571033 /nfs/dbraw/zinc/57/10/33/1032571033.db2.gz RDYWSFCPCPOVIT-AEFFLSMTSA-N 0 3 332.463 3.899 20 30 EHEDHN C[C@@H]1[C@H](NC(=O)CC2(C#N)CCCCC2)CCN1Cc1ccccc1 ZINC000597654134 1032591339 /nfs/dbraw/zinc/59/13/39/1032591339.db2.gz QMQBIRKLGBXRKM-IEBWSBKVSA-N 0 3 339.483 3.630 20 30 EHEDHN CCO[C@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C12CCC2 ZINC000537308476 1032615204 /nfs/dbraw/zinc/61/52/04/1032615204.db2.gz RNQSVIPHJQMGSJ-IRXDYDNUSA-N 0 3 337.385 3.994 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cccc(OC3CCCCC3)c2)CC1 ZINC000606367595 1032653614 /nfs/dbraw/zinc/65/36/14/1032653614.db2.gz MBJZIMIMMDBWKO-UHFFFAOYSA-N 0 3 342.483 3.778 20 30 EHEDHN N#Cc1cc(N2CCN(CCc3cccs3)CC2)c2ccccc2n1 ZINC000610274089 1017161364 /nfs/dbraw/zinc/16/13/64/1017161364.db2.gz MVWIOKHDMQYTEJ-UHFFFAOYSA-N 0 3 348.475 3.533 20 30 EHEDHN COc1ccc(C)cc1[C@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000341011850 1017693945 /nfs/dbraw/zinc/69/39/45/1017693945.db2.gz KDSKSESSAWJRLW-HNNXBMFYSA-N 0 3 337.423 3.555 20 30 EHEDHN N#Cc1cccc(CN2CCCN(c3ccc(F)c(F)c3)CC2)c1 ZINC000560194313 1017835168 /nfs/dbraw/zinc/83/51/68/1017835168.db2.gz CEXGZSJQIDALJS-UHFFFAOYSA-N 0 3 327.378 3.549 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2cccc(CC(C)C)c2)CC1 ZINC000510302891 1017970298 /nfs/dbraw/zinc/97/02/98/1017970298.db2.gz HEPWYOHHGKCGIA-KRWDZBQOSA-N 0 3 328.500 3.755 20 30 EHEDHN C[C@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(C#N)c1 ZINC000610344795 1018349725 /nfs/dbraw/zinc/34/97/25/1018349725.db2.gz IJXLFTWHCFFOAV-HRAATJIYSA-N 0 3 336.435 3.967 20 30 EHEDHN CCCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1F ZINC000610390290 1018699624 /nfs/dbraw/zinc/69/96/24/1018699624.db2.gz XTGNAYDSVYDUSW-UHFFFAOYSA-N 0 3 339.414 3.938 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000614395930 1018972254 /nfs/dbraw/zinc/97/22/54/1018972254.db2.gz BAZGIWGTFDXNRZ-LJQANCHMSA-N 0 3 334.419 3.975 20 30 EHEDHN N#CC(C(=O)c1ccc(C2SCCCS2)cc1)c1ccncn1 ZINC000760341057 1032877400 /nfs/dbraw/zinc/87/74/00/1032877400.db2.gz QAACDJYQXZKSCS-AWEZNQCLSA-N 0 3 341.461 3.835 20 30 EHEDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(C)cc2)C1=O)c1ccc(C#N)cc1 ZINC000278773899 1032899705 /nfs/dbraw/zinc/89/97/05/1032899705.db2.gz PJAUAIUROXVORT-RTWAWAEBSA-N 0 3 347.462 3.709 20 30 EHEDHN COc1cc(CN2CCC3(CC2)CC(=O)C=CO3)cc2ccccc21 ZINC000897599383 1032901525 /nfs/dbraw/zinc/90/15/25/1032901525.db2.gz IYAOBTASGPMYQA-UHFFFAOYSA-N 0 3 337.419 3.686 20 30 EHEDHN CN(C)Cc1ccc(-c2noc(/C=C\c3ccccc3C#N)n2)cc1 ZINC000610482954 1020465865 /nfs/dbraw/zinc/46/58/65/1020465865.db2.gz MMCGRGIMZJORAQ-QXMHVHEDSA-N 0 3 330.391 3.840 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419458039 1020651685 /nfs/dbraw/zinc/65/16/85/1020651685.db2.gz YIPQEZSZWNIBTC-ROUUACIJSA-N 0 3 335.536 3.883 20 30 EHEDHN CCc1nc(C)c([C@H](C)N(C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC001167464058 1020929590 /nfs/dbraw/zinc/92/95/90/1020929590.db2.gz FCUNYCBIGPEPCN-BBRMVZONSA-N 0 3 329.469 3.612 20 30 EHEDHN CN(C)c1cc(NCC(C)(C)CCC#N)ncc1Br ZINC000449642452 1032947544 /nfs/dbraw/zinc/94/75/44/1032947544.db2.gz GGFFSOIRDGLQIZ-UHFFFAOYSA-N 0 3 325.254 3.652 20 30 EHEDHN C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000287573728 1021204876 /nfs/dbraw/zinc/20/48/76/1021204876.db2.gz GXYVKZSTJRJLGB-UZLBHIALSA-N 0 3 331.423 3.963 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(OCC#N)cc2)c([O-])c1 ZINC000255337391 1021205445 /nfs/dbraw/zinc/20/54/45/1021205445.db2.gz POGJXFIXDIQOGR-JCMHNJIXSA-N 0 3 337.423 3.760 20 30 EHEDHN C=C(C)[C@@H](CC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21)OCC ZINC000843740447 1021332386 /nfs/dbraw/zinc/33/23/86/1021332386.db2.gz VYWIMGACDGFYEO-DFQSSKMNSA-N 0 3 342.483 3.501 20 30 EHEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000516494391 1021487710 /nfs/dbraw/zinc/48/77/10/1021487710.db2.gz LRCPUXIRVKIJMU-IFXJQAMLSA-N 0 3 337.423 3.635 20 30 EHEDHN CC(C)N1CC[C@H](N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1=O ZINC000543861358 1021529673 /nfs/dbraw/zinc/52/96/73/1021529673.db2.gz KLMFRFIBGAPSJK-IERDGZPVSA-N 0 3 347.462 3.885 20 30 EHEDHN CC(C)[C@H](NC1CCC(C#N)CC1)c1nc(-c2ccncc2)no1 ZINC000602591667 1032990400 /nfs/dbraw/zinc/99/04/00/1032990400.db2.gz BPFVXJKGHWBTMW-BCLQGDPASA-N 0 3 325.416 3.501 20 30 EHEDHN CN(CCc1ccc(F)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437406056 1021801708 /nfs/dbraw/zinc/80/17/08/1021801708.db2.gz QTSXZZHJUNJQTH-UHFFFAOYSA-N 0 3 334.341 3.973 20 30 EHEDHN C=C(C)COc1cccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000440132576 1021971373 /nfs/dbraw/zinc/97/13/73/1021971373.db2.gz BZHOLKOYHPBJNJ-IBGZPJMESA-N 0 3 328.456 3.987 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441207576 1022063700 /nfs/dbraw/zinc/06/37/00/1022063700.db2.gz NFTPXHYGUZNBEV-DLBZAZTESA-N 0 3 337.385 3.805 20 30 EHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccccc21 ZINC000593692727 1033027463 /nfs/dbraw/zinc/02/74/63/1033027463.db2.gz ZAAUUZJUIJBBSM-NONVJHHQSA-N 0 3 326.440 3.839 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000437727187 1022084774 /nfs/dbraw/zinc/08/47/74/1022084774.db2.gz WZEXEGGWWHUKOS-LEWJYISDSA-N 0 3 349.478 3.645 20 30 EHEDHN CN(C)Cc1ccc(NC(=O)CC(C)(C)C#N)cc1C(F)(F)F ZINC000894985702 1022356116 /nfs/dbraw/zinc/35/61/16/1022356116.db2.gz NMCDLYSNKDUBFG-UHFFFAOYSA-N 0 3 327.350 3.645 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)n1 ZINC000528906012 1033048812 /nfs/dbraw/zinc/04/88/12/1033048812.db2.gz CSDTZBROSFSXON-CHWSQXEVSA-N 0 3 334.347 3.728 20 30 EHEDHN CC(C)(C)C[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000341606291 1022529418 /nfs/dbraw/zinc/52/94/18/1022529418.db2.gz VTMIEGNQLUQLQX-FQEVSTJZSA-N 0 3 349.478 3.942 20 30 EHEDHN O=C1C=COC2(CCN(C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC2)C1 ZINC000933643652 1022533657 /nfs/dbraw/zinc/53/36/57/1022533657.db2.gz BQYMCPJIXJDRLE-PMACEKPBSA-N 0 3 341.451 3.635 20 30 EHEDHN CC(C)(CO)C(C)(C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331355406 1022800992 /nfs/dbraw/zinc/80/09/92/1022800992.db2.gz QPGINWZZHVBEQC-UHFFFAOYSA-N 0 3 332.488 3.774 20 30 EHEDHN C[C@@H]1CCN(c2c(F)cc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000383079209 1022924941 /nfs/dbraw/zinc/92/49/41/1022924941.db2.gz APAAGCLMYLQHAC-OAHLLOKOSA-N 0 3 341.405 3.937 20 30 EHEDHN COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000119413035 1022991983 /nfs/dbraw/zinc/99/19/83/1022991983.db2.gz VXUAAMFSRZYGAA-HNNXBMFYSA-N 0 3 340.398 3.509 20 30 EHEDHN CC[C@@H](Cc1ccccc1Br)NC[C@@H](C#N)CCC#N ZINC000562996101 1023151131 /nfs/dbraw/zinc/15/11/31/1023151131.db2.gz HIVOPIBBUNOAPY-HIFRSBDPSA-N 0 3 334.261 3.803 20 30 EHEDHN C=CCC[C@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccccc1 ZINC000341923799 1023699497 /nfs/dbraw/zinc/69/94/97/1023699497.db2.gz CVGIBPDBGXTZQU-SFHVURJKSA-N 0 3 337.423 3.632 20 30 EHEDHN CC[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000024252361 1033182522 /nfs/dbraw/zinc/18/25/22/1033182522.db2.gz OTQNVFYVJXOGGD-QGZVFWFLSA-N 0 3 327.815 3.891 20 30 EHEDHN CCCN(CC(=O)N(CCC#N)c1cccc(C)c1C)CC1CC1 ZINC000051281461 1024118799 /nfs/dbraw/zinc/11/87/99/1024118799.db2.gz OXIJOANSRIHKOM-UHFFFAOYSA-N 0 3 327.472 3.672 20 30 EHEDHN CCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000514116459 1024160735 /nfs/dbraw/zinc/16/07/35/1024160735.db2.gz HVIIMDMBAMOJOH-UHFFFAOYSA-N 0 3 333.501 3.805 20 30 EHEDHN C=CCC[C@H](NCC(=O)NCC=C)c1ccc(C(F)(F)F)cc1 ZINC000342190832 1024363653 /nfs/dbraw/zinc/36/36/53/1024363653.db2.gz JAFLSNJCJSYCCN-HNNXBMFYSA-N 0 3 326.362 3.605 20 30 EHEDHN C=CCC[C@H](NCC(=O)N1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000342210650 1024410121 /nfs/dbraw/zinc/41/01/21/1024410121.db2.gz SSYAKMRSRHZTBL-INIZCTEOSA-N 0 3 340.389 3.925 20 30 EHEDHN C[C@@H](N[C@H](C)c1cc2ccccc2s1)C(=O)NC1(C#N)CCC1 ZINC000346488621 1024798020 /nfs/dbraw/zinc/79/80/20/1024798020.db2.gz HOPIGYYNMKVYJF-CHWSQXEVSA-N 0 3 327.453 3.503 20 30 EHEDHN C[C@@H](CCC#N)CNCc1ccn(-c2ccc(Br)cc2)n1 ZINC000895804532 1024857620 /nfs/dbraw/zinc/85/76/20/1024857620.db2.gz MVLOOLWEEGPXNB-ZDUSSCGKSA-N 0 3 347.260 3.664 20 30 EHEDHN N#Cc1ccc(C2CCN(Cc3cccc(OC(F)F)c3)CC2)nc1 ZINC000602909718 1033241899 /nfs/dbraw/zinc/24/18/99/1033241899.db2.gz MGIFPTUFKIVYKJ-UHFFFAOYSA-N 0 3 343.377 3.934 20 30 EHEDHN C=CCC1(O)CCN(Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000895836146 1024901630 /nfs/dbraw/zinc/90/16/30/1024901630.db2.gz XGILZAXPRZJGLQ-UHFFFAOYSA-N 0 3 343.446 3.531 20 30 EHEDHN C=CCC(C)(C)C(=O)N1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001269976932 1024981099 /nfs/dbraw/zinc/98/10/99/1024981099.db2.gz DZWWLPYKRWZMDC-OAQYLSRUSA-N 0 3 343.515 3.822 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000896530646 1025515531 /nfs/dbraw/zinc/51/55/31/1025515531.db2.gz GIFCVFDGXJLFAV-WBVHZDCISA-N 0 3 341.480 3.889 20 30 EHEDHN Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000342464507 1025660196 /nfs/dbraw/zinc/66/01/96/1025660196.db2.gz QUXIKTUCXGLARN-GFCCVEGCSA-N 0 3 326.306 3.625 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000342464507 1025660203 /nfs/dbraw/zinc/66/02/03/1025660203.db2.gz QUXIKTUCXGLARN-GFCCVEGCSA-N 0 3 326.306 3.625 20 30 EHEDHN C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336976 1025675513 /nfs/dbraw/zinc/67/55/13/1025675513.db2.gz WLQMMTHKMBQYEN-WRFANHODSA-N 0 3 345.874 3.578 20 30 EHEDHN Cc1ccc(C)c(OC[C@@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425543010 1025694620 /nfs/dbraw/zinc/69/46/20/1025694620.db2.gz RJAXSCVBKMAHFM-PXNSSMCTSA-N 0 3 338.451 3.608 20 30 EHEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)NCc1cccc(C#N)c1 ZINC000521823471 1025713535 /nfs/dbraw/zinc/71/35/35/1025713535.db2.gz XOPMVNISVPJJIU-HXUWFJFHSA-N 0 3 335.451 3.648 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)N(C)CC3)n1 ZINC000530403501 1025774591 /nfs/dbraw/zinc/77/45/91/1025774591.db2.gz MUXMYFSCNYZQLV-AWEZNQCLSA-N 0 3 325.437 3.749 20 30 EHEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3cnc4ccccc4c3)C2)nc1 ZINC000896655000 1025814362 /nfs/dbraw/zinc/81/43/62/1025814362.db2.gz SCXPEMOXTVUAGZ-IBGZPJMESA-N 0 3 343.434 3.578 20 30 EHEDHN Cc1cc(C(C#N)C(=O)c2cncc(-c3ccccc3)c2)nc(C)n1 ZINC000342517503 1026031700 /nfs/dbraw/zinc/03/17/00/1026031700.db2.gz VQJYSKWKMWEBAP-GOSISDBHSA-N 0 3 328.375 3.646 20 30 EHEDHN CCOC(=O)C1(C(F)(F)F)CCN(CC(C)(C)CCC#N)CC1 ZINC000896962497 1026161812 /nfs/dbraw/zinc/16/18/12/1026161812.db2.gz WSEPAMQPJKNHDR-UHFFFAOYSA-N 0 3 334.382 3.524 20 30 EHEDHN CCN(C(=O)c1ccc(C#N)cc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186331105 1026506470 /nfs/dbraw/zinc/50/64/70/1026506470.db2.gz VXMJFKLOKPMLEG-FQEVSTJZSA-N 0 3 347.462 3.603 20 30 EHEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000501207577 1027139758 /nfs/dbraw/zinc/13/97/58/1027139758.db2.gz HRTWXRFWDOTRFX-FQEVSTJZSA-N 0 3 335.451 3.970 20 30 EHEDHN C[C@H]1C[C@H](c2ccccc2)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075745744 1027164712 /nfs/dbraw/zinc/16/47/12/1027164712.db2.gz JFSHUNRVMURESA-KXBFYZLASA-N 0 3 344.418 3.986 20 30 EHEDHN COCCc1nc(C)c([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618805909 1027677600 /nfs/dbraw/zinc/67/76/00/1027677600.db2.gz PKDPMDIVLOJNMJ-YVEFUNNKSA-N 0 3 341.480 3.850 20 30 EHEDHN CC(C)[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000444766004 1028250103 /nfs/dbraw/zinc/25/01/03/1028250103.db2.gz GFBUOZYTUNNUND-MSOLQXFVSA-N 0 3 327.472 3.690 20 30 EHEDHN CCc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000536630643 1028336691 /nfs/dbraw/zinc/33/66/91/1028336691.db2.gz XHMRHUARRZJPST-UHFFFAOYSA-N 0 3 339.508 3.890 20 30 EHEDHN C=CCc1cc(CNCc2ccccc2N(C)C)cc(OC)c1OC ZINC000729683402 1028417551 /nfs/dbraw/zinc/41/75/51/1028417551.db2.gz MKJSNJMWVVYDMH-UHFFFAOYSA-N 0 3 340.467 3.788 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](CC)Cc2ccc(Cl)cc2)CC1 ZINC000523926314 1028718886 /nfs/dbraw/zinc/71/88/86/1028718886.db2.gz KPWKKOQBKUHJHU-QGZVFWFLSA-N 0 3 349.906 3.611 20 30 EHEDHN CCCCc1oc2ccccc2c1CN(C)C(=O)[C@@H](N)CCCC#N ZINC000424067223 1028773312 /nfs/dbraw/zinc/77/33/12/1028773312.db2.gz OXQMFAWXWKGVKF-KRWDZBQOSA-N 0 3 341.455 3.755 20 30 EHEDHN CCCCCN(Cc1ccc(Cl)cc1)C(=O)[C@H](N)CCCC#N ZINC000424067536 1028773780 /nfs/dbraw/zinc/77/37/80/1028773780.db2.gz PMOJXWSWVBSLTN-QGZVFWFLSA-N 0 3 335.879 3.880 20 30 EHEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1Oc1ccccc1 ZINC000424115465 1028811628 /nfs/dbraw/zinc/81/16/28/1028811628.db2.gz VGJCRGIFIXOARS-MAUKXSAKSA-N 0 3 337.423 3.677 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000424115045 1028812154 /nfs/dbraw/zinc/81/21/54/1028812154.db2.gz SZBFSQBNGJDDGN-RTBURBONSA-N 0 3 327.472 3.835 20 30 EHEDHN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424122797 1028819434 /nfs/dbraw/zinc/81/94/34/1028819434.db2.gz JSURTSLUWWLOLE-UZLBHIALSA-N 0 3 335.451 3.894 20 30 EHEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000424135712 1028825015 /nfs/dbraw/zinc/82/50/15/1028825015.db2.gz ZSCDOHLMWRGNHG-SWLSCSKDSA-N 0 3 341.377 3.636 20 30 EHEDHN CC(C)c1ccc(CC2CCN(C(=O)[C@@H](N)CCCC#N)CC2)cc1 ZINC000424173209 1028872423 /nfs/dbraw/zinc/87/24/23/1028872423.db2.gz NXLGBXCYUMLWKN-FQEVSTJZSA-N 0 3 341.499 3.612 20 30 EHEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)nn1 ZINC000424292986 1028934686 /nfs/dbraw/zinc/93/46/86/1028934686.db2.gz HVTUWTCZEUUSSH-QAPCUYQASA-N 0 3 330.863 3.619 20 30 EHEDHN CC(C)[C@H](CC(F)(F)F)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000445882394 1029190355 /nfs/dbraw/zinc/19/03/55/1029190355.db2.gz ADLFNLNJMXQVBP-ZDUSSCGKSA-N 0 3 347.768 3.717 20 30 EHEDHN N#Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000067704846 1029204166 /nfs/dbraw/zinc/20/41/66/1029204166.db2.gz WTRZLZIIPPJHID-QGZVFWFLSA-N 0 3 337.398 3.548 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000067707038 1029234611 /nfs/dbraw/zinc/23/46/11/1029234611.db2.gz RJTYAADIMGHZTG-UHFFFAOYSA-N 0 3 332.447 3.561 20 30 EHEDHN COc1ccc(COCCN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271946250 1029239633 /nfs/dbraw/zinc/23/96/33/1029239633.db2.gz NHMUFKXTUFQPAY-CQSZACIVSA-N 0 3 328.387 3.573 20 30 EHEDHN CC[C@@H](Cc1ccccc1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000525125405 1029697474 /nfs/dbraw/zinc/69/74/74/1029697474.db2.gz FROWNVRPQHUUAZ-IBGZPJMESA-N 0 3 341.499 3.624 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](C(C)C)C2)c1 ZINC000446731273 1029764835 /nfs/dbraw/zinc/76/48/35/1029764835.db2.gz GGCRLHJJDLMVGZ-SFHVURJKSA-N 0 3 327.472 3.528 20 30 EHEDHN C=CCN(CCc1ccco1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000272553570 1029815207 /nfs/dbraw/zinc/81/52/07/1029815207.db2.gz DHJNPYIQQUJJAI-UHFFFAOYSA-N 0 3 338.451 3.746 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2OC(C)C)CC1 ZINC000272603556 1029816306 /nfs/dbraw/zinc/81/63/06/1029816306.db2.gz JHMIXQRAXUMCRQ-UHFFFAOYSA-N 0 3 349.450 3.775 20 30 EHEDHN C=CCC[C@H](C)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000273550363 1029825570 /nfs/dbraw/zinc/82/55/70/1029825570.db2.gz FSLSXUOEHLFHBZ-AWEZNQCLSA-N 0 3 329.469 3.517 20 30 EHEDHN C=CCOc1ccccc1CN1CCC(Oc2ccncc2C)CC1 ZINC000447059868 1029896579 /nfs/dbraw/zinc/89/65/79/1029896579.db2.gz MXSQUEHNCAEPNI-UHFFFAOYSA-N 0 3 338.451 3.998 20 30 EHEDHN CC[C@@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447532193 1030269154 /nfs/dbraw/zinc/26/91/54/1030269154.db2.gz SQXUWMXGGGGFPQ-UXHICEINSA-N 0 3 333.435 3.795 20 30 EHEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OC[C@H]2CCOC2)c1 ZINC000447586839 1030320320 /nfs/dbraw/zinc/32/03/20/1030320320.db2.gz PBBNZGATOMDPPO-ZIFCJYIRSA-N 0 3 328.456 3.582 20 30 EHEDHN C=C[C@H](CC(=O)N(CCN(C)C)Cc1ccccc1)c1ccccc1 ZINC000536097068 1030397077 /nfs/dbraw/zinc/39/70/77/1030397077.db2.gz ZTQHURNIJMXJML-HXUWFJFHSA-N 0 3 336.479 3.937 20 30 EHEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1CCC(C)C ZINC000160053021 1030501025 /nfs/dbraw/zinc/50/10/25/1030501025.db2.gz BREMASDQINIZPE-CQSZACIVSA-N 0 3 335.411 3.604 20 30 EHEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000482646383 1030605838 /nfs/dbraw/zinc/60/58/38/1030605838.db2.gz KXZQRWLKRDKYAX-QGZVFWFLSA-N 0 3 336.435 3.760 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000193902490 1030618232 /nfs/dbraw/zinc/61/82/32/1030618232.db2.gz WKOPZIDFGGSTKU-UONOGXRCSA-N 0 3 325.368 3.909 20 30 EHEDHN N#CC1(NC(=O)CN[C@H](CC2CCCCC2)c2ccccc2)CCC1 ZINC000527128411 1030655668 /nfs/dbraw/zinc/65/56/68/1030655668.db2.gz XYHYQYLUGVFQOO-LJQANCHMSA-N 0 3 339.483 3.850 20 30 EHEDHN Cc1nc(C)c(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000128713218 1030684998 /nfs/dbraw/zinc/68/49/98/1030684998.db2.gz KWRBMWXAVRJBGX-OAHLLOKOSA-N 0 3 349.415 3.874 20 30 EHEDHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(OCC#N)cc2)cc1 ZINC000171769507 1030818606 /nfs/dbraw/zinc/81/86/06/1030818606.db2.gz JXKNTJDHMHKWFJ-UHFFFAOYSA-N 0 3 332.407 3.577 20 30 EHEDHN CCCCO[C@@H]1C[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C1(C)C ZINC000537656546 1030893716 /nfs/dbraw/zinc/89/37/16/1030893716.db2.gz IFMXZVXTUROVCT-ZWKOTPCHSA-N 0 3 340.471 3.622 20 30 EHEDHN CC(C)Oc1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1C#N ZINC000122070854 1031347691 /nfs/dbraw/zinc/34/76/91/1031347691.db2.gz QJAAENBBPICEIV-UHFFFAOYSA-N 0 3 337.423 3.659 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000083216840 1031486160 /nfs/dbraw/zinc/48/61/60/1031486160.db2.gz BZWYIWKQFANISI-IRXDYDNUSA-N 0 3 329.488 3.518 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000179333187 1031768967 /nfs/dbraw/zinc/76/89/67/1031768967.db2.gz YNTHMKJNJMWDRD-HXUWFJFHSA-N 0 3 341.499 3.712 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(CCc1ccccc1)c1ccccc1 ZINC000594431439 1033367759 /nfs/dbraw/zinc/36/77/59/1033367759.db2.gz MMFNMWMFHORUOM-HXUWFJFHSA-N 0 3 335.451 3.674 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000594433696 1033370512 /nfs/dbraw/zinc/37/05/12/1033370512.db2.gz QUDOKAFHAGSSLH-CQSZACIVSA-N 0 3 327.350 3.531 20 30 EHEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H](N)CCCCC#N ZINC000594433109 1033372372 /nfs/dbraw/zinc/37/23/72/1033372372.db2.gz LRMSPHKDOYNZQP-RTBURBONSA-N 0 3 329.488 3.576 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000594435616 1033373113 /nfs/dbraw/zinc/37/31/13/1033373113.db2.gz DJRUZAZKXAKNOQ-MRXNPFEDSA-N 0 3 333.863 3.637 20 30 EHEDHN CC(C)(C)c1nc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2s1 ZINC000594437270 1033374754 /nfs/dbraw/zinc/37/47/54/1033374754.db2.gz LDLDPJFDVXMERR-ZDUSSCGKSA-N 0 3 344.484 3.944 20 30 EHEDHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1Oc1ccncc1 ZINC000594443376 1033378620 /nfs/dbraw/zinc/37/86/20/1033378620.db2.gz PELJVLDICXLAQH-KRWDZBQOSA-N 0 3 338.411 3.532 20 30 EHEDHN COC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(F)c1)CCC2 ZINC000594516815 1033423198 /nfs/dbraw/zinc/42/31/98/1033423198.db2.gz FOGSSTZFTVHWQL-IBGZPJMESA-N 0 3 338.382 3.651 20 30 EHEDHN CCC(=O)Nc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594926075 1033549823 /nfs/dbraw/zinc/54/98/23/1033549823.db2.gz RHYZHXIAHPUTNL-UHFFFAOYSA-N 0 3 333.435 3.880 20 30 EHEDHN CC[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000024252782 1033559991 /nfs/dbraw/zinc/55/99/91/1033559991.db2.gz KRMZEDXEWNVXLH-KRWDZBQOSA-N 0 3 327.815 3.891 20 30 EHEDHN C[C@@H](CCc1cccc(F)c1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966671 1033637765 /nfs/dbraw/zinc/63/77/65/1033637765.db2.gz VHZOQHCQEVNUJV-KBXCAEBGSA-N 0 3 338.382 3.742 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H](n1cccn1)C(F)(F)F ZINC000599058401 1033696787 /nfs/dbraw/zinc/69/67/87/1033696787.db2.gz UFZLKXPOEJYTHC-HZPDHXFCSA-N 0 3 334.345 3.525 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccncc2)ccc1OC ZINC000174091419 1033735421 /nfs/dbraw/zinc/73/54/21/1033735421.db2.gz ARKURRHHPPEUGZ-YOEHRIQHSA-N 0 3 325.412 3.622 20 30 EHEDHN CC(C)[C@@H](C#N)N1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000595396752 1033779586 /nfs/dbraw/zinc/77/95/86/1033779586.db2.gz GITOQOOORNDVSP-HMXCVIKNSA-N 0 3 325.500 3.736 20 30 EHEDHN N#Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1Cl ZINC000593003123 1033795598 /nfs/dbraw/zinc/79/55/98/1033795598.db2.gz STNAPWSEZYKQTB-NEPJUHHUSA-N 0 3 346.736 3.898 20 30 EHEDHN COc1cc([C@H](C)NCc2ccc(C)c(C#N)c2)cc(OC)c1OC ZINC000599350057 1033885142 /nfs/dbraw/zinc/88/51/42/1033885142.db2.gz RPZILFFIVTZWFS-AWEZNQCLSA-N 0 3 340.423 3.743 20 30 EHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595603353 1033917103 /nfs/dbraw/zinc/91/71/03/1033917103.db2.gz MKGKGOFHZYENPQ-XJKSGUPXSA-N 0 3 342.399 3.869 20 30 EHEDHN COc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1C#N ZINC000174390338 1033933597 /nfs/dbraw/zinc/93/35/97/1033933597.db2.gz KOKHZBNQTCGTBB-UHFFFAOYSA-N 0 3 340.398 3.501 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593101758 1033941619 /nfs/dbraw/zinc/94/16/19/1033941619.db2.gz STUKPZIMNMELCG-CHWSQXEVSA-N 0 3 326.318 3.553 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599580857 1034020830 /nfs/dbraw/zinc/02/08/30/1034020830.db2.gz GYXVIHPNHJWJGC-IIDMSEBBSA-N 0 3 328.456 3.919 20 30 EHEDHN Cc1cc(CN2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1C#N ZINC000599585426 1034026550 /nfs/dbraw/zinc/02/65/50/1034026550.db2.gz YULZNLATVAVPIB-MAUKXSAKSA-N 0 3 328.456 3.666 20 30 EHEDHN CC[C@H](NCC(=O)NCc1cccc(C#N)c1)c1cc(C)ccc1C ZINC000599641153 1034063633 /nfs/dbraw/zinc/06/36/33/1034063633.db2.gz PWAZHKWQGCLEEM-FQEVSTJZSA-N 0 3 335.451 3.532 20 30 EHEDHN N#Cc1ccc(Cl)cc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596442820 1034247355 /nfs/dbraw/zinc/24/73/55/1034247355.db2.gz UNFBXKVNNVPFTM-UHFFFAOYSA-N 0 3 340.858 3.931 20 30 EHEDHN C[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)N1CCc2ccccc2C1 ZINC000255758021 1034311756 /nfs/dbraw/zinc/31/17/56/1034311756.db2.gz YUZSDZOBEKFMBI-ZGWJWYQGSA-N 0 3 345.446 3.806 20 30 EHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892493689 1034894872 /nfs/dbraw/zinc/89/48/72/1034894872.db2.gz PSQCZDNWWMDNMU-ZRLZJUFWSA-N 0 3 348.855 3.662 20 30 EHEDHN Cc1ccc2ccccc2c1CN1CCN(c2cnccc2C#N)CC1 ZINC000580945179 1035463706 /nfs/dbraw/zinc/46/37/06/1035463706.db2.gz FETQSZGKFFKCOO-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN CN(CCOCc1ccc(C#N)cc1)CCSc1ccccc1F ZINC000588978924 1036210912 /nfs/dbraw/zinc/21/09/12/1036210912.db2.gz ZBJKAYQFUODMCD-UHFFFAOYSA-N 0 3 344.455 3.938 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C(C)(C)C)C1 ZINC000541390903 1036250697 /nfs/dbraw/zinc/25/06/97/1036250697.db2.gz UYWANYXXTAHJIV-JKSUJKDBSA-N 0 3 345.462 3.829 20 30 EHEDHN CN(C)Cc1cccc(NC(=O)c2cccc(SCC#N)c2)c1 ZINC000175600477 1036453578 /nfs/dbraw/zinc/45/35/78/1036453578.db2.gz LZLFVRAENVNCFM-UHFFFAOYSA-N 0 3 325.437 3.616 20 30 EHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000464536660 1036544826 /nfs/dbraw/zinc/54/48/26/1036544826.db2.gz CNINQOGVSZRFRB-XLIONFOSSA-N 0 3 328.500 3.788 20 30 EHEDHN c1ccc([C@@H]2CC(=NNC[C@H]3CCSC3)CCN2C2CC2)cc1 ZINC000841639127 1036581399 /nfs/dbraw/zinc/58/13/99/1036581399.db2.gz KTXGUTLBRLRKAR-BEFAXECRSA-N 0 3 329.513 3.685 20 30 EHEDHN C=CCCC[C@@H](C)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000089266877 1036589218 /nfs/dbraw/zinc/58/92/18/1036589218.db2.gz JEWSAWFPDJBCJS-MRXNPFEDSA-N 0 3 349.906 3.641 20 30 EHEDHN C[C@H](NC1CCN(CC#N)CC1)c1csc(-c2ccccc2F)n1 ZINC000589726706 1036606826 /nfs/dbraw/zinc/60/68/26/1036606826.db2.gz DOHPZQLAJBTABX-ZDUSSCGKSA-N 0 3 344.459 3.588 20 30 EHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(=O)N(C)C)cc1 ZINC000589949346 1036674238 /nfs/dbraw/zinc/67/42/38/1036674238.db2.gz HLDIDAGHPYFXCX-VBKZILBWSA-N 0 3 333.435 3.598 20 30 EHEDHN C[C@H]1CCN(Cc2ccccc2)CCN1c1ncc(C#N)cc1Cl ZINC000610468800 1036754676 /nfs/dbraw/zinc/75/46/76/1036754676.db2.gz BCFXWOSLBZYFGH-HNNXBMFYSA-N 0 3 340.858 3.707 20 30 EHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@H]1CC=CCC1 ZINC000542247715 1037211159 /nfs/dbraw/zinc/21/11/59/1037211159.db2.gz PMUDYCGNHLLAFT-KBPBESRZSA-N 0 3 331.847 3.827 20 30 EHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)C1CCCC1 ZINC000170983650 1037402591 /nfs/dbraw/zinc/40/25/91/1037402591.db2.gz GBWXKQMQCXOYDN-AWEZNQCLSA-N 0 3 331.485 3.894 20 30 EHEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000181350626 1037566458 /nfs/dbraw/zinc/56/64/58/1037566458.db2.gz WWZNXVBFIIVXIL-MRXNPFEDSA-N 0 3 336.410 3.655 20 30 EHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000532578942 1037691650 /nfs/dbraw/zinc/69/16/50/1037691650.db2.gz YDCSXGPHPLVCHW-GJYPPUQNSA-N 0 3 333.435 3.763 20 30 EHEDHN C=CCCC[C@@H](C)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000540296680 1037775237 /nfs/dbraw/zinc/77/52/37/1037775237.db2.gz APMLJEVJXVQJPV-GOSISDBHSA-N 0 3 344.499 3.517 20 30 EHEDHN C=C[C@](C)(CC)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000187934212 1037882910 /nfs/dbraw/zinc/88/29/10/1037882910.db2.gz ROPMEPXHEAXMHU-OAQYLSRUSA-N 0 3 328.500 3.756 20 30 EHEDHN CCCCN(Cc1ccncc1C#N)[C@@H]1CCc2ncsc2C1 ZINC000592186157 1037916557 /nfs/dbraw/zinc/91/65/57/1037916557.db2.gz AISBVAJHTJPVQO-MRXNPFEDSA-N 0 3 326.469 3.569 20 30 EHEDHN O=C(C[C@@H]1CCCCC(=O)N1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000329278330 1038566343 /nfs/dbraw/zinc/56/63/43/1038566343.db2.gz LYFJVXWZIMJPBS-IRXDYDNUSA-N 0 3 329.444 3.507 20 30 EHEDHN CCSc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000539305629 1038775605 /nfs/dbraw/zinc/77/56/05/1038775605.db2.gz WVBOXOOUWDWVFM-KHYOSLBOSA-N 0 3 347.528 3.892 20 30 EHEDHN CCOC(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000041495923 1038782590 /nfs/dbraw/zinc/78/25/90/1038782590.db2.gz KBWXDDWTPOOZOY-CQSZACIVSA-N 0 3 348.362 3.621 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c(C)c1OC ZINC000927124038 1038849109 /nfs/dbraw/zinc/84/91/09/1038849109.db2.gz HGGVJHAZBQIQTP-ZDUSSCGKSA-N 0 3 328.387 3.874 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000539391616 1038889836 /nfs/dbraw/zinc/88/98/36/1038889836.db2.gz LNCOSISVNBXXJC-SCTDSRPQSA-N 0 3 329.488 3.866 20 30 EHEDHN Cc1cc(C(=O)Nc2ccc(CN(C)C)cc2F)cc(C)c1C#N ZINC000910424828 1038906786 /nfs/dbraw/zinc/90/67/86/1038906786.db2.gz RVTAZSUNCKFNGE-UHFFFAOYSA-N 0 3 325.387 3.628 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(Cn3cccn3)c2)cc1 ZINC000237496585 1038941699 /nfs/dbraw/zinc/94/16/99/1038941699.db2.gz CIACSPQTDLAEDP-KRWDZBQOSA-N 0 3 346.434 3.512 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccccc2NC2CCCCC2)CC1 ZINC000479965771 1038956938 /nfs/dbraw/zinc/95/69/38/1038956938.db2.gz MVKYSYKJJYRYGV-UHFFFAOYSA-N 0 3 341.499 3.811 20 30 EHEDHN C=CC[C@H](C(=O)NC[C@H](C)N(C)Cc1ccccc1)c1ccccc1 ZINC000488381037 1039133760 /nfs/dbraw/zinc/13/37/60/1039133760.db2.gz RLUGQBHZEGRRNX-RXVVDRJESA-N 0 3 336.479 3.983 20 30 EHEDHN Cc1cc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)ccc1C#N ZINC000488460094 1039191057 /nfs/dbraw/zinc/19/10/57/1039191057.db2.gz MHNICQCNSBYXMY-LJQANCHMSA-N 0 3 347.462 3.509 20 30 EHEDHN COCc1cc(CNCc2ccc(N(C)CCC#N)cc2)ccc1F ZINC000237200320 1039320716 /nfs/dbraw/zinc/32/07/16/1039320716.db2.gz CLZZGHVCYDMHHD-UHFFFAOYSA-N 0 3 341.430 3.612 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCCC(F)(F)C2)CC1 ZINC000488803938 1039407599 /nfs/dbraw/zinc/40/75/99/1039407599.db2.gz ZGTATZRBVSOZCV-OAHLLOKOSA-N 0 3 343.462 3.542 20 30 EHEDHN Cn1cc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1C#N ZINC000480334407 1039437592 /nfs/dbraw/zinc/43/75/92/1039437592.db2.gz KTYILZTYGBNLIA-UHFFFAOYSA-N 0 3 343.430 3.788 20 30 EHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000345047493 1039594958 /nfs/dbraw/zinc/59/49/58/1039594958.db2.gz XNCQRZVGHWNDLM-CABCVRRESA-N 0 3 346.500 3.639 20 30 EHEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC001127053464 1039628800 /nfs/dbraw/zinc/62/88/00/1039628800.db2.gz HTHJPCLVCFTBTP-IBGZPJMESA-N 0 3 326.484 3.856 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000912228987 1039758541 /nfs/dbraw/zinc/75/85/41/1039758541.db2.gz CNNYWIMIPCFGGF-INIZCTEOSA-N 0 3 333.476 3.970 20 30 EHEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000489508207 1040051104 /nfs/dbraw/zinc/05/11/04/1040051104.db2.gz JDCOCJDRDIHPDC-STQMWFEESA-N 0 3 330.255 3.774 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c(C(F)(F)F)c1 ZINC000573500327 1040132722 /nfs/dbraw/zinc/13/27/22/1040132722.db2.gz QXSMXYVYGMQKFU-GDBMZVCRSA-N 0 3 338.373 3.826 20 30 EHEDHN CN(C(=O)CN[C@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000433015079 1040453315 /nfs/dbraw/zinc/45/33/15/1040453315.db2.gz VDCFJFJOTNJIET-LJQANCHMSA-N 0 3 327.472 3.802 20 30 EHEDHN CC[C@H](Cc1ccccc1)N(CC)CC(=O)Nc1sccc1C#N ZINC000120454605 1040456776 /nfs/dbraw/zinc/45/67/76/1040456776.db2.gz BPMQUVSOZJURJH-QGZVFWFLSA-N 0 3 341.480 3.901 20 30 EHEDHN CC(=O)c1ccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000433012611 1040474126 /nfs/dbraw/zinc/47/41/26/1040474126.db2.gz UDCAGUXFSHZKLI-HXUWFJFHSA-N 0 3 349.434 3.852 20 30 EHEDHN COCCc1nc(C)c([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)s1 ZINC000092765991 1041017735 /nfs/dbraw/zinc/01/77/35/1041017735.db2.gz CZIFJGVFOPXZFQ-QWHCGFSZSA-N 0 3 329.469 3.924 20 30 EHEDHN C[S@@](=O)Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000586795795 1041030402 /nfs/dbraw/zinc/03/04/02/1041030402.db2.gz IZXJJQKJPRUJLM-GBXCKJPGSA-N 0 3 338.476 3.604 20 30 EHEDHN CSCCN(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093509599 1041062865 /nfs/dbraw/zinc/06/28/65/1041062865.db2.gz IXCYZHKJKPQTEJ-UHFFFAOYSA-N 0 3 326.465 3.932 20 30 EHEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000156515179 1041260557 /nfs/dbraw/zinc/26/05/57/1041260557.db2.gz RPGJCRDRWXIIPG-RYUDHWBXSA-N 0 3 345.251 3.782 20 30 EHEDHN C=CCN1CCC(Nc2ncc(C)c(-c3ccccc3F)n2)CC1 ZINC000571346576 1041272874 /nfs/dbraw/zinc/27/28/74/1041272874.db2.gz GKGIWTJICOCXBI-UHFFFAOYSA-N 0 3 326.419 3.653 20 30 EHEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000156508337 1041276821 /nfs/dbraw/zinc/27/68/21/1041276821.db2.gz UCKACPUOHDYRBI-BXKDBHETSA-N 0 3 345.251 3.782 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652195986 1042266624 /nfs/dbraw/zinc/26/66/24/1042266624.db2.gz CCUAARFUVFALTG-UIFIKXQLSA-N 0 3 338.451 3.750 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000104701564 1042319890 /nfs/dbraw/zinc/31/98/90/1042319890.db2.gz MGCJLFGCGXPMHM-QSFXBCCZSA-N 0 3 327.472 3.560 20 30 EHEDHN CC1(C)CN(CCC(=O)Nc2ccccc2C#N)Cc2ccccc2O1 ZINC000344103614 1043260792 /nfs/dbraw/zinc/26/07/92/1043260792.db2.gz FTOUIPDOUGHQPI-UHFFFAOYSA-N 0 3 349.434 3.560 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H](CC)c1c(C)noc1C ZINC000182416929 1127328584 /nfs/dbraw/zinc/32/85/84/1127328584.db2.gz AJRFQEKVLULHJC-ZWKOTPCHSA-N 0 3 344.455 3.501 20 30 EHEDHN COc1ccc(C(C)=NOCC(F)(F)F)cc1CN1CCCC1 ZINC000764845680 1127539554 /nfs/dbraw/zinc/53/95/54/1127539554.db2.gz YDQNKINEEFMZSG-UHFFFAOYSA-N 0 3 330.350 3.594 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)cc1F)c1nc2ccccc2s1 ZINC000338628551 1127933702 /nfs/dbraw/zinc/93/37/02/1127933702.db2.gz VHZIZJIOONRRMA-JTQLQIEISA-N 0 3 329.331 3.820 20 30 EHEDHN COc1cccc([C@@H](CNc2cc(Cl)ccc2C#N)N(C)C)c1 ZINC000301151581 1128575556 /nfs/dbraw/zinc/57/55/56/1128575556.db2.gz KNLDYNGARMNVDS-GOSISDBHSA-N 0 3 329.831 3.935 20 30 EHEDHN CN(C)[C@@H](CNc1ccc(Cl)c(C#N)n1)c1ccc(Cl)cc1 ZINC000301484463 1128593527 /nfs/dbraw/zinc/59/35/27/1128593527.db2.gz VKBQZWPTVCGMQL-HNNXBMFYSA-N 0 3 335.238 3.975 20 30 EHEDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(Cl)cc1 ZINC000302200200 1128625930 /nfs/dbraw/zinc/62/59/30/1128625930.db2.gz RDVVCUPNKNKBQX-KRWDZBQOSA-N 0 3 344.802 3.835 20 30 EHEDHN N#CCC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000542853760 1128691702 /nfs/dbraw/zinc/69/17/02/1128691702.db2.gz JPKQPZJUHHHGNP-UHFFFAOYSA-N 0 3 325.368 3.980 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000111246657 1128855451 /nfs/dbraw/zinc/85/54/51/1128855451.db2.gz LQNHJLGLSSKJRM-OXQOHEQNSA-N 0 3 327.472 3.516 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cc(C)oc2C)cc1Cl ZINC000130288896 1120635702 /nfs/dbraw/zinc/63/57/02/1120635702.db2.gz ZFNBQQWGSAVRFP-CYBMUJFWSA-N 0 3 346.770 3.520 20 30 EHEDHN CC(=O)N1CC[C@H](NCc2c(C)cc(C#N)cc2C)c2ccccc21 ZINC000921937213 1128940373 /nfs/dbraw/zinc/94/03/73/1128940373.db2.gz YYJSZENHPWYIQV-FQEVSTJZSA-N 0 3 333.435 3.763 20 30 EHEDHN C[C@H]1CC(N=Nc2ncnc3sc(-c4ccccc4)cc32)CN1C ZINC000761800966 1120941045 /nfs/dbraw/zinc/94/10/45/1120941045.db2.gz IJJMSNVANGGZMM-LBPRGKRZSA-N 0 3 337.452 3.850 20 30 EHEDHN CC(C)(C)OC(=O)N(CC1CC1)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000495589779 1121286874 /nfs/dbraw/zinc/28/68/74/1121286874.db2.gz BFZUGNYSGGXGBE-SJLPKXTDSA-N 0 3 347.503 3.790 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000171679971 1121418731 /nfs/dbraw/zinc/41/87/31/1121418731.db2.gz OMAQHJROBUIOND-UHFFFAOYSA-N 0 3 328.243 3.765 20 30 EHEDHN C=CCN1CCC(NC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000171696019 1121439098 /nfs/dbraw/zinc/43/90/98/1121439098.db2.gz ZSSYIVRCQTUMKO-UHFFFAOYSA-N 0 3 349.478 3.726 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2cccc(Cl)c2)CC1 ZINC000171710306 1121490853 /nfs/dbraw/zinc/49/08/53/1121490853.db2.gz VAIZNMBHDROKFH-KRWDZBQOSA-N 0 3 335.879 3.741 20 30 EHEDHN C=CCN1CCC(NC(=O)CCCCOc2cc(C)ccc2C)CC1 ZINC000171714802 1121501862 /nfs/dbraw/zinc/50/18/62/1121501862.db2.gz QGWJZWWUESZQRT-UHFFFAOYSA-N 0 3 344.499 3.619 20 30 EHEDHN C=CCc1cc(CN(C)Cc2cccc(OC)c2)c(O)c(OC)c1 ZINC000915803567 1121632767 /nfs/dbraw/zinc/63/27/67/1121632767.db2.gz HTUGXLIKUNUAAF-UHFFFAOYSA-N 0 3 327.424 3.770 20 30 EHEDHN CCOc1ccc(CNCc2ccc(OCC#N)cc2)cc1OCC ZINC000171769320 1121756974 /nfs/dbraw/zinc/75/69/74/1121756974.db2.gz PHTMZILSTFNIGY-UHFFFAOYSA-N 0 3 340.423 3.676 20 30 EHEDHN CCn1ccnc1C(C#N)C(=O)CCSc1cccc(Cl)c1 ZINC001123336624 1121782076 /nfs/dbraw/zinc/78/20/76/1121782076.db2.gz JNBCFFARYZWGPJ-CQSZACIVSA-N 0 3 333.844 3.915 20 30 EHEDHN CCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000916912595 1122393295 /nfs/dbraw/zinc/39/32/95/1122393295.db2.gz RMLDYJKKAOGQBX-NSHDSACASA-N 0 3 332.812 3.925 20 30 EHEDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1NCC1(C#N)CC1 ZINC000497287328 1122436391 /nfs/dbraw/zinc/43/63/91/1122436391.db2.gz VFRYIGIPKZKXDQ-BRWVUGGUSA-N 0 3 347.503 3.838 20 30 EHEDHN C=C[C@H](CC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000497414475 1122545563 /nfs/dbraw/zinc/54/55/63/1122545563.db2.gz DMUMIWWPVOUVEB-JRGCBEDISA-N 0 3 334.463 3.560 20 30 EHEDHN C=CCOc1ccccc1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000171814443 1122780044 /nfs/dbraw/zinc/78/00/44/1122780044.db2.gz PTBSGSKZXOOZJY-UHFFFAOYSA-N 0 3 339.439 3.635 20 30 EHEDHN CN(CCOc1ccccc1Br)Cc1ccc(C#N)cc1 ZINC000508888256 1123017809 /nfs/dbraw/zinc/01/78/09/1123017809.db2.gz HRSHQCJADDXPJK-UHFFFAOYSA-N 0 3 345.240 3.832 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1SCC#N)C1CCCCC1 ZINC000072948561 1123179566 /nfs/dbraw/zinc/17/95/66/1123179566.db2.gz DALLMRZDVDFJDX-UHFFFAOYSA-N 0 3 331.485 3.895 20 30 EHEDHN CC(C)c1ccc(C(C)(C)NCC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000609358712 1123561617 /nfs/dbraw/zinc/56/16/17/1123561617.db2.gz UZSRNWCRHXMGHS-HXUWFJFHSA-N 0 3 329.488 3.689 20 30 EHEDHN CC[C@@H]1c2ccccc2CCN1CCOc1ccc(C#N)cc1OC ZINC000610133132 1123739363 /nfs/dbraw/zinc/73/93/63/1123739363.db2.gz BYPWQZVIHPHQME-LJQANCHMSA-N 0 3 336.435 3.955 20 30 EHEDHN CC(C)C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)cc1 ZINC000179717512 1123832013 /nfs/dbraw/zinc/83/20/13/1123832013.db2.gz OZTQSZIFDQCZGK-PKOBYXMFSA-N 0 3 347.890 3.825 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCCc3nc(C)ncc32)c([O-])c1 ZINC000734752244 1131271416 /nfs/dbraw/zinc/27/14/16/1131271416.db2.gz CCCFHIUSOMQJFJ-WQFTWXBESA-N 0 3 338.455 3.833 20 30 EHEDHN C[C@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(C#N)c(F)c1 ZINC000272804000 1124635365 /nfs/dbraw/zinc/63/53/65/1124635365.db2.gz BXKUNJADWHFIEH-ZDUSSCGKSA-N 0 3 339.370 3.505 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181314056 1124752479 /nfs/dbraw/zinc/75/24/79/1124752479.db2.gz JAZGCFKSPFXPNP-QZTJIDSGSA-N 0 3 349.478 3.988 20 30 EHEDHN C[C@H](NCc1cccc(CN2CCCC2=O)c1)c1cccc(C#N)c1 ZINC000181489643 1124883652 /nfs/dbraw/zinc/88/36/52/1124883652.db2.gz XVSUWODQLTWZKC-INIZCTEOSA-N 0 3 333.435 3.531 20 30 EHEDHN CCCCC[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000181744439 1125027785 /nfs/dbraw/zinc/02/77/85/1125027785.db2.gz KKNHNWBDUQEAQA-UYAOXDASSA-N 0 3 327.472 3.706 20 30 EHEDHN N#Cc1ccccc1COc1cccc(CN2CC([C@H]3CCOC3)C2)c1 ZINC000619432212 1125349060 /nfs/dbraw/zinc/34/90/60/1125349060.db2.gz LAFGGENKXKSGKH-FQEVSTJZSA-N 0 3 348.446 3.606 20 30 EHEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000619755601 1125395177 /nfs/dbraw/zinc/39/51/77/1125395177.db2.gz MZFPENBIOAPOTL-GFCCVEGCSA-N 0 3 339.826 3.947 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000466391428 1129416819 /nfs/dbraw/zinc/41/68/19/1129416819.db2.gz LCRJJFOUGODSPL-KRWDZBQOSA-N 0 3 337.895 3.768 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2csc(C#N)c2)C12CCC2 ZINC000922288617 1129440404 /nfs/dbraw/zinc/44/04/04/1129440404.db2.gz VHAKHRBXVVPCCT-HNNXBMFYSA-N 0 3 347.484 3.641 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000154329548 1129549911 /nfs/dbraw/zinc/54/99/11/1129549911.db2.gz ZBPITJUBEPRLMY-LSDHHAIUSA-N 0 3 335.407 3.927 20 30 EHEDHN C=C(C)CCN[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000509008240 1129643141 /nfs/dbraw/zinc/64/31/41/1129643141.db2.gz XSTUWTHORDBJMA-NSHDSACASA-N 0 3 326.234 3.837 20 30 EHEDHN COC(=O)c1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1F ZINC000134155505 1129983088 /nfs/dbraw/zinc/98/30/88/1129983088.db2.gz ZSMIRXWTCLWNBQ-UHFFFAOYSA-N 0 3 340.398 3.895 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(OC3CCCCC3)cc2)CC1 ZINC000172120226 1130107651 /nfs/dbraw/zinc/10/76/51/1130107651.db2.gz DQKLYGWYXWGOOX-UHFFFAOYSA-N 0 3 342.483 3.778 20 30 EHEDHN N#Cc1ccc(OC[C@H](O)CN2CCCCC[C@@H]2c2ccco2)cc1 ZINC000246734319 1130408661 /nfs/dbraw/zinc/40/86/61/1130408661.db2.gz JTTRZUTVDOQZAS-IEBWSBKVSA-N 0 3 340.423 3.508 20 30 EHEDHN CCc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000727953574 1130612985 /nfs/dbraw/zinc/61/29/85/1130612985.db2.gz KDVKYNMYEDIIIL-KDOFPFPSSA-N 0 3 326.440 3.510 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000730917484 1130750640 /nfs/dbraw/zinc/75/06/40/1130750640.db2.gz KYDKCWQKJTZBRI-SLFFLAALSA-N 0 3 348.446 3.959 20 30 EHEDHN N#CC(C(=O)C[C@@H]1CCc2ccccc2C1)c1nc2ccccc2[nH]1 ZINC000732593531 1130936444 /nfs/dbraw/zinc/93/64/44/1130936444.db2.gz OJJRBAOXXYYAGT-PBHICJAKSA-N 0 3 329.403 3.934 20 30 EHEDHN CC1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000732984275 1130978678 /nfs/dbraw/zinc/97/86/78/1130978678.db2.gz GRQOLQSYUCKSMX-CYBMUJFWSA-N 0 3 327.453 3.595 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccco2)s1 ZINC000766257785 1131547139 /nfs/dbraw/zinc/54/71/39/1131547139.db2.gz OVYJBFBYBWNYPI-ZDUSSCGKSA-N 0 3 336.372 3.969 20 30 EHEDHN C#CCOc1ccccc1CNC[C@H](OC)c1ccc(Cl)cc1 ZINC000742377734 1131718298 /nfs/dbraw/zinc/71/82/98/1131718298.db2.gz RQBGLAQACWMBJE-IBGZPJMESA-N 0 3 329.827 3.829 20 30 EHEDHN C[C@H](CCCC#N)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001172498473 1131760400 /nfs/dbraw/zinc/76/04/00/1131760400.db2.gz NJUHREOEJDZSKB-CQSZACIVSA-N 0 3 330.403 3.708 20 30 EHEDHN CC(C)CCN(CCC#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000744405319 1132090599 /nfs/dbraw/zinc/09/05/99/1132090599.db2.gz ILOKDLCTHWKRIS-UHFFFAOYSA-N 0 3 337.508 3.895 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H](C)CC2)cc1C ZINC000745170700 1132212503 /nfs/dbraw/zinc/21/25/03/1132212503.db2.gz KPRMHSJXYZMQCA-INIZCTEOSA-N 0 3 327.472 3.672 20 30 EHEDHN CN(C)/C=N/c1ccc(NCc2ccccc2-n2cccn2)cc1C#N ZINC001168974305 1132624984 /nfs/dbraw/zinc/62/49/84/1132624984.db2.gz NGHQXIMODATUNW-HZHRSRAPSA-N 0 3 344.422 3.577 20 30 EHEDHN C#Cc1cccc(N(CC)C(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000103101381 1132683720 /nfs/dbraw/zinc/68/37/20/1132683720.db2.gz YRXNCORUWZOYBH-UHFFFAOYSA-N 0 3 332.447 3.930 20 30 EHEDHN CCN1CCN(c2ccc(Nc3cc(F)c(C#N)c(F)c3)cc2)CC1 ZINC001175782164 1132765302 /nfs/dbraw/zinc/76/53/02/1132765302.db2.gz OSXLEXTXUGXRQG-UHFFFAOYSA-N 0 3 342.393 3.722 20 30 EHEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC001169900693 1132892315 /nfs/dbraw/zinc/89/23/15/1132892315.db2.gz NYDGKQWQCAYJDF-MOPGFXCFSA-N 0 3 344.842 3.565 20 30 EHEDHN C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001176364826 1132922706 /nfs/dbraw/zinc/92/27/06/1132922706.db2.gz HBYWDVRFKBLOQZ-OXQOHEQNSA-N 0 3 333.435 3.765 20 30 EHEDHN CC[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1c(C)nn(C)c1C ZINC000742388571 1133063212 /nfs/dbraw/zinc/06/32/12/1133063212.db2.gz YTAYBAJVOUGHBT-FZKQIMNGSA-N 0 3 326.444 3.569 20 30 EHEDHN C#CCOc1ccc(CN2CCC(OCCc3ccccc3)CC2)cc1 ZINC000768933277 1133206082 /nfs/dbraw/zinc/20/60/82/1133206082.db2.gz XTTOMZUAZZJAHH-UHFFFAOYSA-N 0 3 349.474 3.922 20 30 EHEDHN C=C(Br)CN[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000769920075 1133359697 /nfs/dbraw/zinc/35/96/97/1133359697.db2.gz LYCLSBDCLGLFBZ-ZDUSSCGKSA-N 0 3 347.297 3.568 20 30 EHEDHN Cc1ccccc1CN1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC001180412651 1133372143 /nfs/dbraw/zinc/37/21/43/1133372143.db2.gz CKMGHJSAKXLTFX-UHFFFAOYSA-N 0 3 345.490 3.868 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cccc(-c2ccccc2)c1 ZINC001181112201 1133453676 /nfs/dbraw/zinc/45/36/76/1133453676.db2.gz GSAYQQPIZLZQOW-NRFANRHFSA-N 0 3 334.463 3.663 20 30 EHEDHN C#C[C@H](N[C@H]1CCO[C@H](C(C)C)C1)c1ccc(Br)cc1 ZINC001182031158 1133564588 /nfs/dbraw/zinc/56/45/88/1133564588.db2.gz GLXDKDNEWGGQNZ-ULQDDVLXSA-N 0 3 336.273 3.917 20 30 EHEDHN CCCCN(CC)[C@H](C(=O)N[C@H](C#N)CC(C)C)c1ccccc1 ZINC001182237919 1133604727 /nfs/dbraw/zinc/60/47/27/1133604727.db2.gz TWZFFLOIANREBO-OALUTQOASA-N 0 3 329.488 3.904 20 30 EHEDHN C#CCC1(O)CCN(C/C(C)=C/c2ccccc2C(F)(F)F)CC1 ZINC001183498374 1133817276 /nfs/dbraw/zinc/81/72/76/1133817276.db2.gz FRRLMUDDFSLBPA-FYWRMAATSA-N 0 3 337.385 3.959 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184403272 1133935859 /nfs/dbraw/zinc/93/58/59/1133935859.db2.gz QXZOIZAKYPMNHN-KRWDZBQOSA-N 0 3 334.891 3.977 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCCCCCC1 ZINC000787073816 1133945967 /nfs/dbraw/zinc/94/59/67/1133945967.db2.gz WNNHTLSSNFSDJY-GOSISDBHSA-N 0 3 326.440 3.714 20 30 EHEDHN CCCC[C@@H](CC)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074850 1133946022 /nfs/dbraw/zinc/94/60/22/1133946022.db2.gz SDGFSYPBPCVMRG-SJLPKXTDSA-N 0 3 328.456 3.960 20 30 EHEDHN C[C@@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CCCCC1 ZINC000787074484 1133946531 /nfs/dbraw/zinc/94/65/31/1133946531.db2.gz VPFVPGPXYIXBEM-LPHOPBHVSA-N 0 3 340.467 3.960 20 30 EHEDHN Cc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1C#N ZINC000774885628 1134090112 /nfs/dbraw/zinc/09/01/12/1134090112.db2.gz CQOCHJLXNNQUMJ-QAPCUYQASA-N 0 3 343.471 3.602 20 30 EHEDHN C#CCC1(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CCCCC1 ZINC000788192811 1134092429 /nfs/dbraw/zinc/09/24/29/1134092429.db2.gz JCBQMUXXBPSCAZ-ICSRJNTNSA-N 0 3 338.495 3.912 20 30 EHEDHN CC(=NN[C@@H](CO)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000788462637 1134128116 /nfs/dbraw/zinc/12/81/16/1134128116.db2.gz YQIPGCMHFLGZTL-NRFANRHFSA-N 0 3 337.467 3.724 20 30 EHEDHN N#Cc1ccc(CN2CCC(COc3ccc(Cl)nc3)CC2)cc1 ZINC000789314344 1134253302 /nfs/dbraw/zinc/25/33/02/1134253302.db2.gz UOXXDHXSXZMQNT-UHFFFAOYSA-N 0 3 341.842 3.898 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1OC ZINC000775075711 1134282470 /nfs/dbraw/zinc/28/24/70/1134282470.db2.gz BMEAUOURCBSMDA-SFHVURJKSA-N 0 3 337.423 3.636 20 30 EHEDHN COCCN(Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H]1CC[C@@H](C)C1 ZINC000790475606 1134422351 /nfs/dbraw/zinc/42/23/51/1134422351.db2.gz BLNGZTJTOWXNFD-APWZRJJASA-N 0 3 338.455 3.516 20 30 EHEDHN C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@H]2CCCCN2C)c1 ZINC001189274973 1134566541 /nfs/dbraw/zinc/56/65/41/1134566541.db2.gz PDFKEQDHKOSZBW-GOSISDBHSA-N 0 3 329.488 3.738 20 30 EHEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000792277889 1134676168 /nfs/dbraw/zinc/67/61/68/1134676168.db2.gz VNDIDHADRMICSG-INIZCTEOSA-N 0 3 333.435 3.673 20 30 EHEDHN C#C[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)c1ccc(Cl)cc1F ZINC000804420405 1135063825 /nfs/dbraw/zinc/06/38/25/1135063825.db2.gz HIEOALBEYYYPEP-MRHIQRDNSA-N 0 3 336.838 3.531 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001195497758 1135433769 /nfs/dbraw/zinc/43/37/69/1135433769.db2.gz KZZXSFNPVIFBHY-RVKKMQEKSA-N 0 3 328.456 3.919 20 30 EHEDHN CC(C)(C)CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cscn1 ZINC000807979390 1135597746 /nfs/dbraw/zinc/59/77/46/1135597746.db2.gz RFVMQRFIXKYKJK-STQMWFEESA-N 0 3 333.505 3.534 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]3CCC[C@@H]32)cc1C ZINC000747531191 1135743617 /nfs/dbraw/zinc/74/36/17/1135743617.db2.gz SETPJQZHWXWKFE-QUCCMNQESA-N 0 3 339.483 3.815 20 30 EHEDHN C=CCCCN(CC)CC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC001198457923 1135817189 /nfs/dbraw/zinc/81/71/89/1135817189.db2.gz OERWJKWABWHHNH-UHFFFAOYSA-N 0 3 332.532 3.949 20 30 EHEDHN N#CC1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809556495 1135856606 /nfs/dbraw/zinc/85/66/06/1135856606.db2.gz HOTVEACUQVCJRT-UHFFFAOYSA-N 0 3 331.463 3.985 20 30 EHEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1C[C@H](C)CCC=C(C)C ZINC001201490884 1136027944 /nfs/dbraw/zinc/02/79/44/1136027944.db2.gz PKTAQLPTAUHYDZ-IEBWSBKVSA-N 0 3 331.504 3.904 20 30 EHEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1C[C@H](C)CCC=C(C)C ZINC001201490885 1136028106 /nfs/dbraw/zinc/02/81/06/1136028106.db2.gz PKTAQLPTAUHYDZ-MJGOQNOKSA-N 0 3 331.504 3.904 20 30 EHEDHN CCCN1CCc2c(N)sc(Nc3cc(C#N)ccc3OC)c2C1 ZINC001201585168 1136043179 /nfs/dbraw/zinc/04/31/79/1136043179.db2.gz CXCDCSHRZZZWHR-UHFFFAOYSA-N 0 3 342.468 3.722 20 30 EHEDHN CCCCCCCCCCS(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC001201836738 1136068685 /nfs/dbraw/zinc/06/86/85/1136068685.db2.gz NSAGOROVADNIIT-GOSISDBHSA-N 0 3 344.565 3.627 20 30 EHEDHN C[C@H](NC[C@H]1COC2(CCCCCC2)O1)c1ccc(C#N)cc1F ZINC000781420322 1136162553 /nfs/dbraw/zinc/16/25/53/1136162553.db2.gz CCELUQGFMNISJU-HOCLYGCPSA-N 0 3 332.419 3.814 20 30 EHEDHN C=CCSc1nc2ccccc2n1CN(C(C)C)[C@@H]1CCOC1 ZINC000812292029 1136192502 /nfs/dbraw/zinc/19/25/02/1136192502.db2.gz UVIXVULPMOOQHC-OAHLLOKOSA-N 0 3 331.485 3.771 20 30 EHEDHN COc1cc(CNCc2ccc(C#N)c(F)c2)c(O)c(C(C)(C)C)c1 ZINC000850320863 1136234785 /nfs/dbraw/zinc/23/47/85/1136234785.db2.gz GXMHHXKFVRTKGC-UHFFFAOYSA-N 0 3 342.414 3.999 20 30 EHEDHN C#C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000812795477 1136251403 /nfs/dbraw/zinc/25/14/03/1136251403.db2.gz YOMQCTGNNFGHDE-MSOLQXFVSA-N 0 3 346.446 3.879 20 30 EHEDHN C=CCCCCCCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850764926 1136301822 /nfs/dbraw/zinc/30/18/22/1136301822.db2.gz RQAGXIYETXYSDP-IBGZPJMESA-N 0 3 345.487 3.996 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000173197065 1136360688 /nfs/dbraw/zinc/36/06/88/1136360688.db2.gz DYWPUOVUOPVXCJ-DNVCBOLYSA-N 0 3 345.462 3.569 20 30 EHEDHN CN(CCSc1cccc(Cl)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000852210735 1136440687 /nfs/dbraw/zinc/44/06/87/1136440687.db2.gz KQUMVPAZGMKKOG-SFHVURJKSA-N 0 3 346.883 3.969 20 30 EHEDHN CN(CCSc1ccc(F)cc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC000852211269 1136440788 /nfs/dbraw/zinc/44/07/88/1136440788.db2.gz QVKAUQLHJPSFBZ-QGZVFWFLSA-N 0 3 348.418 3.594 20 30 EHEDHN N#Cc1cccc(C2(NCc3cncc4ccccc43)CCOCC2)c1 ZINC000852562926 1136466775 /nfs/dbraw/zinc/46/67/75/1136466775.db2.gz MPVCOKPMFWYEIX-UHFFFAOYSA-N 0 3 343.430 3.902 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852686702 1136477654 /nfs/dbraw/zinc/47/76/54/1136477654.db2.gz ZVMJBQVGYPKIQW-QLFBSQMISA-N 0 3 337.448 3.656 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1SCc1ccccc1 ZINC000818048446 1136860791 /nfs/dbraw/zinc/86/07/91/1136860791.db2.gz JWABXSJSSONHCA-MRXNPFEDSA-N 0 3 339.464 3.939 20 30 EHEDHN Cc1ccc(CN2CCC(CNC(=O)OC(C)(C)C)CC2)cc1C#N ZINC000859177482 1137006695 /nfs/dbraw/zinc/00/66/95/1137006695.db2.gz HHPUZWRUDQOMFY-UHFFFAOYSA-N 0 3 343.471 3.603 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCC(F)(F)CC1 ZINC000860449666 1137060680 /nfs/dbraw/zinc/06/06/80/1137060680.db2.gz DKPADVFUORFOPJ-ZDUSSCGKSA-N 0 3 331.366 3.965 20 30 EHEDHN CC1(C)[C@@]2(C)CC[C@]1(C(=O)C(C#N)c1nccc3ccccc31)OC2=O ZINC000860703000 1137073914 /nfs/dbraw/zinc/07/39/14/1137073914.db2.gz VUOXKIKYSPUWKH-GQWLDOHISA-N 0 3 348.402 3.533 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCOc2ccccc21 ZINC000118141080 1137099207 /nfs/dbraw/zinc/09/92/07/1137099207.db2.gz VOIAPOYPGDQNQI-GDBMZVCRSA-N 0 3 345.402 3.706 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000118141076 1137099216 /nfs/dbraw/zinc/09/92/16/1137099216.db2.gz VOIAPOYPGDQNQI-GOEBONIOSA-N 0 3 345.402 3.706 20 30 EHEDHN CN(Cc1cc(Cl)ccc1OCC#N)C[C@](C)(O)c1ccccc1 ZINC000823591375 1137105540 /nfs/dbraw/zinc/10/55/40/1137105540.db2.gz KEKYTBWBUWRJOP-IBGZPJMESA-N 0 3 344.842 3.582 20 30 EHEDHN N#Cc1cccc(O[C@@H]2CCCN(Cc3ccc4c(c3)COC4)C2)c1 ZINC001137028342 1137175435 /nfs/dbraw/zinc/17/54/35/1137175435.db2.gz ITMFQFWCFFICIN-OAQYLSRUSA-N 0 3 334.419 3.632 20 30 EHEDHN Cc1ccc(C(F)(F)F)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001143672729 1137188178 /nfs/dbraw/zinc/18/81/78/1137188178.db2.gz OMHATLFVCNRTID-AWEZNQCLSA-N 0 3 327.371 3.788 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC001143707373 1137192673 /nfs/dbraw/zinc/19/26/73/1137192673.db2.gz KKUGQRMQTXPFJR-NRFANRHFSA-N 0 3 348.490 3.975 20 30 EHEDHN N#Cc1ccc([C@@H](O)CNC(c2ccccc2)c2ccccc2)cc1 ZINC000119658070 1137204395 /nfs/dbraw/zinc/20/43/95/1137204395.db2.gz DCJSZFQAUXGYLR-NRFANRHFSA-N 0 3 328.415 3.971 20 30 EHEDHN N#Cc1cncc(CN2CCC3(CC2)OCc2cc(Cl)ccc23)c1 ZINC001144083944 1137237753 /nfs/dbraw/zinc/23/77/53/1137237753.db2.gz ZPJQXZBBQYSVBK-UHFFFAOYSA-N 0 3 339.826 3.628 20 30 EHEDHN C=CCN1CCC(NC(=O)Cc2csc3sc(CC)cc23)CC1 ZINC000865193470 1137268102 /nfs/dbraw/zinc/26/81/02/1137268102.db2.gz LPUWZXCWNVTCJM-UHFFFAOYSA-N 0 3 348.537 3.834 20 30 EHEDHN C=C(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001144407672 1137284881 /nfs/dbraw/zinc/28/48/81/1137284881.db2.gz CYHQGQNQCPJUHC-OAQYLSRUSA-N 0 3 334.463 3.739 20 30 EHEDHN CC(C)(C)c1ccc([C@@H](O)CNCc2ccc(C#N)cc2F)cc1 ZINC000772920972 1137289903 /nfs/dbraw/zinc/28/99/03/1137289903.db2.gz LIZOTHWXQIWINP-IBGZPJMESA-N 0 3 326.415 3.818 20 30 EHEDHN C[C@H]1c2ccc(NC(=N)c3ccc4cc(O)ccc4c3)cc2NC1=O ZINC001171185209 1137293352 /nfs/dbraw/zinc/29/33/52/1137293352.db2.gz UFOSPCLIFSSCMM-NSHDSACASA-N 0 3 331.375 3.638 20 30 EHEDHN COc1ccc(-c2nc(CN[C@@H](C)Cc3cccc(C#N)c3)co2)cc1 ZINC001171196338 1137303631 /nfs/dbraw/zinc/30/36/31/1137303631.db2.gz ZHEVKRPBJCVCLS-HNNXBMFYSA-N 0 3 347.418 3.943 20 30 EHEDHN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1cccc(C#N)c1[O-] ZINC000866335640 1137346632 /nfs/dbraw/zinc/34/66/32/1137346632.db2.gz DIQBUCOCDPQXQU-YQQAZPJKSA-N 0 3 327.472 3.567 20 30 EHEDHN Cc1cc(F)ccc1N1CCN([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171229708 1137353836 /nfs/dbraw/zinc/35/38/36/1137353836.db2.gz QHNJEKOGGNZOBP-KRWDZBQOSA-N 0 3 337.442 3.759 20 30 EHEDHN CCOc1cccc(N2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171227866 1137353984 /nfs/dbraw/zinc/35/39/84/1137353984.db2.gz BNYQLQGRWBMUDR-GOSISDBHSA-N 0 3 349.478 3.710 20 30 EHEDHN [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000846757398 1137363604 /nfs/dbraw/zinc/36/36/04/1137363604.db2.gz YNBKYVGTJTWJBG-PKMXSDERSA-N 0 3 337.261 3.591 20 30 EHEDHN [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000846757398 1137363606 /nfs/dbraw/zinc/36/36/06/1137363606.db2.gz YNBKYVGTJTWJBG-PKMXSDERSA-N 0 3 337.261 3.591 20 30 EHEDHN C#CCOc1ccccc1CN[C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000772988980 1137422954 /nfs/dbraw/zinc/42/29/54/1137422954.db2.gz VGSGLKYTDHZNCQ-QGZVFWFLSA-N 0 3 336.435 3.514 20 30 EHEDHN C#CCSCCN[C@H]1CCc2c1c(Br)ccc2F ZINC000773010916 1137458906 /nfs/dbraw/zinc/45/89/06/1137458906.db2.gz OHRTXZKEYARIOI-ZDUSSCGKSA-N 0 3 328.250 3.532 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CC2)C[C@@H]1C(C)(C)C ZINC001171590944 1137497102 /nfs/dbraw/zinc/49/71/02/1137497102.db2.gz SLNUWNMDRKBIPW-HUUCEWRRSA-N 0 3 335.492 3.694 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001172305424 1137545333 /nfs/dbraw/zinc/54/53/33/1137545333.db2.gz DJBCVQHYJCUBAI-RDTXWAMCSA-N 0 3 342.389 3.921 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cn(Cc2ccccc2)cn1 ZINC001172300171 1137549448 /nfs/dbraw/zinc/54/94/48/1137549448.db2.gz SEHPKGUBZAMLRT-KRWDZBQOSA-N 0 3 330.435 3.524 20 30 EHEDHN C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cccc([O-])c1F ZINC000872093265 1137570841 /nfs/dbraw/zinc/57/08/41/1137570841.db2.gz UFCOJLSJRBFGLB-AWEZNQCLSA-N 0 3 339.414 3.723 20 30 EHEDHN C[C@H]1C[C@@H](NCc2cccc(F)c2C#N)CCN1C(=O)OC(C)(C)C ZINC000873115461 1137590395 /nfs/dbraw/zinc/59/03/95/1137590395.db2.gz OEZKMBUYJQQJFD-ZFWWWQNUSA-N 0 3 347.434 3.575 20 30 EHEDHN N#Cc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c(F)cc1F ZINC000876347632 1137649479 /nfs/dbraw/zinc/64/94/79/1137649479.db2.gz GYKGOHGLEMIHLI-ZJUUUORDSA-N 0 3 348.271 3.523 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCCCCOc2ccc(F)cc2)c1 ZINC000876928154 1137665464 /nfs/dbraw/zinc/66/54/64/1137665464.db2.gz VMJDPKQMWORWOL-UHFFFAOYSA-N 0 3 333.794 3.695 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCCOC)cc1 ZINC000126274850 1137666748 /nfs/dbraw/zinc/66/67/48/1137666748.db2.gz PNUXRABIHORQQO-PBHICJAKSA-N 0 3 330.428 3.664 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(C(F)(F)F)s1 ZINC000877807622 1137690605 /nfs/dbraw/zinc/69/06/05/1137690605.db2.gz XSJGWCGAHGCWGP-LLVKDONJSA-N 0 3 332.391 3.955 20 30 EHEDHN C[C@@H](CCC#N)N1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879614013 1137752540 /nfs/dbraw/zinc/75/25/40/1137752540.db2.gz WIWWGUXIPKDMHK-AWEZNQCLSA-N 0 3 335.517 3.502 20 30 EHEDHN OCCC1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000879779093 1137758507 /nfs/dbraw/zinc/75/85/07/1137758507.db2.gz PTOZREFHJLANIY-ZNXRZULTSA-N 0 3 337.385 3.682 20 30 EHEDHN N#CCC[C@H](C#N)CN1CCC[C@H](c2cc(-c3ccccc3)[nH]n2)C1 ZINC000880275677 1137772726 /nfs/dbraw/zinc/77/27/26/1137772726.db2.gz UBODHGIGCCQCEF-AEFFLSMTSA-N 0 3 333.439 3.700 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000888908126 1137824371 /nfs/dbraw/zinc/82/43/71/1137824371.db2.gz UXODLUXQKZBPDV-PZJWPPBQSA-N 0 3 338.495 3.564 20 30 EHEDHN C=CCC[C@@H](NCc1nc(-c2ccncc2)cs1)[C@H]1CCCO1 ZINC000883244001 1137850237 /nfs/dbraw/zinc/85/02/37/1137850237.db2.gz CIVJUBKLOVXIIX-NVXWUHKLSA-N 0 3 329.469 3.809 20 30 EHEDHN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000348248365 1137877258 /nfs/dbraw/zinc/87/72/58/1137877258.db2.gz UXQODQXCYLNSOD-BLLLJJGKSA-N 0 3 348.372 3.731 20 30 EHEDHN CCCCC[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1 ZINC000884115075 1137910413 /nfs/dbraw/zinc/91/04/13/1137910413.db2.gz ITITVIGQOBLORY-JMDAGXMHSA-N 0 3 339.483 3.564 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000117731538 1137931161 /nfs/dbraw/zinc/93/11/61/1137931161.db2.gz PNCUCSBSQVJDOI-LBPRGKRZSA-N 0 3 339.266 3.516 20 30 EHEDHN C[C@@H](NC(C)(C)c1cccs1)C(=O)N(CCC#N)c1ccccc1 ZINC000348359666 1138036146 /nfs/dbraw/zinc/03/61/46/1138036146.db2.gz UCFWGKBZNRREDM-OAHLLOKOSA-N 0 3 341.480 3.908 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CCC(=Cc3ccc(F)c(F)c3)CC2)CCC1 ZINC000886138912 1138051381 /nfs/dbraw/zinc/05/13/81/1138051381.db2.gz XJZPSNJFGVYMHE-QGZVFWFLSA-N 0 3 346.421 3.889 20 30 EHEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072561462 1138105699 /nfs/dbraw/zinc/10/56/99/1138105699.db2.gz IGJDZDSUXACVNO-CABCVRRESA-N 0 3 331.485 3.751 20 30 EHEDHN Cc1nc(C2CCN(CC#Cc3cccc(Cl)c3)CC2)[nH]c1C ZINC000886659681 1138109978 /nfs/dbraw/zinc/10/99/78/1138109978.db2.gz SJWVUGDCVJPKFF-UHFFFAOYSA-N 0 3 327.859 3.911 20 30 EHEDHN CC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc2ccccc21 ZINC000886918420 1138172505 /nfs/dbraw/zinc/17/25/05/1138172505.db2.gz ZKTLLNRUKHKBMR-FPOVZHCZSA-N 0 3 335.451 3.689 20 30 EHEDHN CCOc1ccc(C2=CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000091813577 1138221917 /nfs/dbraw/zinc/22/19/17/1138221917.db2.gz WNIODXAWJAOUEA-JOCHJYFZSA-N 0 3 348.446 3.780 20 30 EHEDHN CN(Cc1cc2c(cc1OC(F)F)OCO2)CC(C)(C)CCC#N ZINC000093614598 1138239328 /nfs/dbraw/zinc/23/93/28/1138239328.db2.gz MLAMPSXQCYONQO-UHFFFAOYSA-N 0 3 340.370 3.778 20 30 EHEDHN N#Cc1cnc(NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000263753047 1138357067 /nfs/dbraw/zinc/35/70/67/1138357067.db2.gz GUFWPBUIZUWVOW-UHFFFAOYSA-N 0 3 326.831 3.683 20 30 EHEDHN C=CCN1CC[C@@H](N[C@H](CCc2ccccc2)c2ccccc2)C1=O ZINC000337175264 1138486056 /nfs/dbraw/zinc/48/60/56/1138486056.db2.gz HUUUSNWVNRJYIM-NHCUHLMSSA-N 0 3 334.463 3.737 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2F)CC(C)C)CC1 ZINC000264378506 1138494136 /nfs/dbraw/zinc/49/41/36/1138494136.db2.gz SYGATRFBDNILAF-UHFFFAOYSA-N 0 3 347.478 3.644 20 30 EHEDHN C=CCN1CCC(NC(=O)CCSc2ccc(C)c(C)c2)CC1 ZINC000264476001 1138528754 /nfs/dbraw/zinc/52/87/54/1138528754.db2.gz KIMHDZZNYRBGEH-UHFFFAOYSA-N 0 3 332.513 3.552 20 30 EHEDHN N#Cc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1F ZINC000136267129 1138792801 /nfs/dbraw/zinc/79/28/01/1138792801.db2.gz QHTIHXCUQQCAIM-HXUWFJFHSA-N 0 3 338.382 3.709 20 30 EHEDHN CCCN(C(=O)CC1(C#N)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000889489581 1139218405 /nfs/dbraw/zinc/21/84/05/1139218405.db2.gz OWXZVDOUUZZIHM-UHFFFAOYSA-N 0 3 339.483 3.583 20 30 EHEDHN CCCCNC(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000173918556 1139387101 /nfs/dbraw/zinc/38/71/01/1139387101.db2.gz GFDSYGWZRGONMU-MRXNPFEDSA-N 0 3 335.451 3.939 20 30 EHEDHN C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000174429616 1139419313 /nfs/dbraw/zinc/41/93/13/1139419313.db2.gz SYQJZMXZHBVPLF-LBPRGKRZSA-N 0 3 328.799 3.834 20 30 EHEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000177551622 1139626065 /nfs/dbraw/zinc/62/60/65/1139626065.db2.gz NUOHJXUFPODDCS-BEFAXECRSA-N 0 3 344.418 3.986 20 30 EHEDHN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000177551639 1139626175 /nfs/dbraw/zinc/62/61/75/1139626175.db2.gz NUOHJXUFPODDCS-KXBFYZLASA-N 0 3 344.418 3.986 20 30 EHEDHN COc1ccccc1[C@@H](CNCc1ccc(C#N)s1)OC(C)C ZINC000185718127 1140166680 /nfs/dbraw/zinc/16/66/80/1140166680.db2.gz IWSKCMWMUWPHSL-GOSISDBHSA-N 0 3 330.453 3.884 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000186731880 1140218879 /nfs/dbraw/zinc/21/88/79/1140218879.db2.gz YVNCTOVMSBFEFG-INIZCTEOSA-N 0 3 333.435 3.514 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(F)c(C)c2)CC1 ZINC000267815029 1140837670 /nfs/dbraw/zinc/83/76/70/1140837670.db2.gz ZOGDNJOEHVAISV-OAHLLOKOSA-N 0 3 333.451 3.535 20 30 EHEDHN COc1ccc([C@@H](OC)[C@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000271589415 1141402676 /nfs/dbraw/zinc/40/26/76/1141402676.db2.gz WOPZMIOWRNNVSX-DJJJIMSYSA-N 0 3 328.387 3.572 20 30 EHEDHN C[C@H](CCC(=O)C(C#N)C(=O)NCc1ccccc1)c1ccccc1 ZINC000160148021 1014143695 /nfs/dbraw/zinc/14/36/95/1014143695.db2.gz YIQSTALEQITCGA-APWZRJJASA-N 0 3 334.419 3.596 20 30 EHEDHN Cc1ccccc1[C@@H](NCc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000579710087 1014248744 /nfs/dbraw/zinc/24/87/44/1014248744.db2.gz AGJKYBKMAARRED-GOSISDBHSA-N 0 3 333.439 3.786 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](c2ccccc2F)C1 ZINC000339380511 1014302223 /nfs/dbraw/zinc/30/22/23/1014302223.db2.gz XTHYTWNOZMYSSC-INIZCTEOSA-N 0 3 340.398 3.574 20 30 EHEDHN C=CCCCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000274668991 1014505465 /nfs/dbraw/zinc/50/54/65/1014505465.db2.gz PBXYXPQRGPRMDZ-UHFFFAOYSA-N 0 3 329.488 3.649 20 30 EHEDHN N#Cc1cccc(COc2cccc(CNC[C@H](O)c3ccco3)c2)c1 ZINC000097356851 1014614052 /nfs/dbraw/zinc/61/40/52/1014614052.db2.gz LVXVRRBSRXYWPF-FQEVSTJZSA-N 0 3 348.402 3.553 20 30 EHEDHN Cc1cccc([C@@H]2CCCN2CC(=O)NCc2ccc(C#N)cc2)c1C ZINC000610215055 1015003641 /nfs/dbraw/zinc/00/36/41/1015003641.db2.gz DJVRRAXIWYUYQH-NRFANRHFSA-N 0 3 347.462 3.628 20 30 EHEDHN C[C@H](N[C@H](c1ccccc1)C1CCC1)C(=O)NC1(C#N)CCCCC1 ZINC000533505464 1015777635 /nfs/dbraw/zinc/77/76/35/1015777635.db2.gz KKTSDMOCBUQTSO-QFBILLFUSA-N 0 3 339.483 3.849 20 30 EHEDHN CC(C)(C)OC(=O)CC[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000414564164 1016971424 /nfs/dbraw/zinc/97/14/24/1016971424.db2.gz XJKLWNVMFAYGQO-CQSZACIVSA-N 0 3 334.485 3.954 20 30 EHEDHN CC1(C#N)CCC(NCc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000449089382 1032192526 /nfs/dbraw/zinc/19/25/26/1032192526.db2.gz DDYVYYHRVCCSIN-UHFFFAOYSA-N 0 3 334.467 3.923 20 30 EHEDHN N#Cc1ccc(NC(=O)CN[C@H](c2cccs2)C2CC2)cc1Cl ZINC000538262644 1032244248 /nfs/dbraw/zinc/24/42/48/1032244248.db2.gz FXPPFJANUKYPIA-KRWDZBQOSA-N 0 3 345.855 3.953 20 30 EHEDHN CC1/C(=C/c2cc(Cl)ccc2OCC2CC2)C(=O)c2ncnn21 ZINC000905087671 1032336453 /nfs/dbraw/zinc/33/64/53/1032336453.db2.gz YMELIOQMEPIVSZ-IXIHQHOXSA-N 0 3 329.787 3.561 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cnn(CCCC)c2C(C)C)CC1 ZINC000485177465 1032354754 /nfs/dbraw/zinc/35/47/54/1032354754.db2.gz YGXLHBQBWKRVGQ-UHFFFAOYSA-N 0 3 347.507 3.579 20 30 EHEDHN Cc1nc2c(s1)[C@@H](N(C)CCOc1ccccc1C#N)CCC2 ZINC000348219041 1032413673 /nfs/dbraw/zinc/41/36/73/1032413673.db2.gz RXZYHHWMDHANEB-INIZCTEOSA-N 0 3 327.453 3.711 20 30 EHEDHN COC(=O)c1ccc(-c2ccc(CNCC(C)(C)CC#N)o2)cc1 ZINC000459735458 1032440735 /nfs/dbraw/zinc/44/07/35/1032440735.db2.gz SWFYOMVSVYKYTQ-UHFFFAOYSA-N 0 3 326.396 3.763 20 30 EHEDHN Cc1ccccc1[C@@H](C)N(CC(=O)NC1(C#N)CCC1)CC(C)C ZINC000584425802 1032515488 /nfs/dbraw/zinc/51/54/88/1032515488.db2.gz ODZTVZIKUJNPFM-QGZVFWFLSA-N 0 3 327.472 3.577 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NCCc1ccc(F)cc1)c1ccccc1 ZINC000537157456 1032541227 /nfs/dbraw/zinc/54/12/27/1032541227.db2.gz HJSBTNRYSJFFFH-HXUWFJFHSA-N 0 3 340.442 3.782 20 30 EHEDHN CCN(C[C@H]1CN(c2ccccc2)C(=O)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000172385622 1032650153 /nfs/dbraw/zinc/65/01/53/1032650153.db2.gz RDVVEKOPDUKXCC-JXFKEZNVSA-N 0 3 349.434 3.967 20 30 EHEDHN C=C(C)c1cccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000890891424 1017252308 /nfs/dbraw/zinc/25/23/08/1017252308.db2.gz ZCEGRJPUBBKBJN-IBGZPJMESA-N 0 3 335.451 3.965 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000275592885 1017409066 /nfs/dbraw/zinc/40/90/66/1017409066.db2.gz KCGBWQUAIHGEKR-IIDMSEBBSA-N 0 3 343.471 3.854 20 30 EHEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccncc1F ZINC000340473546 1017992376 /nfs/dbraw/zinc/99/23/76/1017992376.db2.gz KUYAURYWNALEIG-UKRRQHHQSA-N 0 3 342.393 3.551 20 30 EHEDHN COCCN(CCOc1ccc(F)cc1)Cc1ccc(C#N)cc1C ZINC000614397992 1018964592 /nfs/dbraw/zinc/96/45/92/1018964592.db2.gz CXGCUYCEVASYRQ-UHFFFAOYSA-N 0 3 342.414 3.533 20 30 EHEDHN CC(C)c1ccc(CCC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000050682311 1020370058 /nfs/dbraw/zinc/37/00/58/1020370058.db2.gz BLIAMGQKZLUJIP-LJQANCHMSA-N 0 3 340.467 3.900 20 30 EHEDHN C=CCCCCCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000606925371 1032911627 /nfs/dbraw/zinc/91/16/27/1032911627.db2.gz ZFVLUWPFOJHNEI-IBGZPJMESA-N 0 3 331.504 3.986 20 30 EHEDHN C[C@@H](NCC#Cc1ccccc1Cl)c1ccc(-n2cncn2)cc1 ZINC000341017039 1020862193 /nfs/dbraw/zinc/86/21/93/1020862193.db2.gz ONRJCTGRPSKQDZ-OAHLLOKOSA-N 0 3 336.826 3.623 20 30 EHEDHN C[C@@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1cccc(C#N)c1 ZINC000276250841 1020961649 /nfs/dbraw/zinc/96/16/49/1020961649.db2.gz WEZCELCCJIMLDS-DNVCBOLYSA-N 0 3 325.456 3.533 20 30 EHEDHN C#CCC1(N[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CCC1 ZINC000933300837 1021066763 /nfs/dbraw/zinc/06/67/63/1021066763.db2.gz LMFGGWOAFIUUSR-HNNXBMFYSA-N 0 3 345.512 3.733 20 30 EHEDHN CC[C@@H](CC#N)NCCCc1ccc(Br)cc1OC ZINC000581557013 1021086197 /nfs/dbraw/zinc/08/61/97/1021086197.db2.gz YTCNDUKEPVCRRS-AWEZNQCLSA-N 0 3 325.250 3.672 20 30 EHEDHN CC[C@H](C)N[C@@H](CNc1c(C#N)nnc2ccccc21)c1ccco1 ZINC000581599382 1021132239 /nfs/dbraw/zinc/13/22/39/1021132239.db2.gz DEMZQVAJYCVDGU-GUYCJALGSA-N 0 3 335.411 3.636 20 30 EHEDHN CC(C)(NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000507361905 1021219148 /nfs/dbraw/zinc/21/91/48/1021219148.db2.gz SDRAKUMQVAMPPE-UHFFFAOYSA-N 0 3 327.815 3.675 20 30 EHEDHN N#CCC1(CN[C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000366763888 1021223270 /nfs/dbraw/zinc/22/32/70/1021223270.db2.gz GJFIVGVIUAJMQQ-CQSZACIVSA-N 0 3 335.245 3.946 20 30 EHEDHN CCCCCCCC(=O)N1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001270134787 1021289681 /nfs/dbraw/zinc/28/96/81/1021289681.db2.gz UCCBXUVSYPGTTB-UHFFFAOYSA-N 0 3 346.519 3.585 20 30 EHEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccsc1 ZINC000126619957 1021456231 /nfs/dbraw/zinc/45/62/31/1021456231.db2.gz JJYLQLTYMCWWOB-UHFFFAOYSA-N 0 3 345.493 3.631 20 30 EHEDHN C=CCOc1ccc(CN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000507715569 1021467249 /nfs/dbraw/zinc/46/72/49/1021467249.db2.gz RNHILCGAEYEPKX-UHFFFAOYSA-N 0 3 331.847 3.938 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@H](c2ccccc2)c2ccccc21 ZINC000602597434 1032992622 /nfs/dbraw/zinc/99/26/22/1032992622.db2.gz BXVUAEMFIYAYAF-IEBWSBKVSA-N 0 3 333.435 3.576 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000519876142 1021731468 /nfs/dbraw/zinc/73/14/68/1021731468.db2.gz XFQLMRVZXLHQRH-DNVCBOLYSA-N 0 3 342.870 3.904 20 30 EHEDHN CCCN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000519906903 1021760445 /nfs/dbraw/zinc/76/04/45/1021760445.db2.gz AHWOQZZXKPFGJQ-NRFANRHFSA-N 0 3 347.462 3.574 20 30 EHEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000925061120 1021766543 /nfs/dbraw/zinc/76/65/43/1021766543.db2.gz RKKWBSPNWOZWKU-HUUCEWRRSA-N 0 3 347.478 3.766 20 30 EHEDHN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)CCCCC#N ZINC000602587231 1033008549 /nfs/dbraw/zinc/00/85/49/1033008549.db2.gz YFUPDJRTSYQMHU-PKOBYXMFSA-N 0 3 349.906 3.825 20 30 EHEDHN CCc1ccc([C@H](C/N=C\c2cccc(OC)c2O)N(C)C)cc1 ZINC000255377730 1022142422 /nfs/dbraw/zinc/14/24/22/1022142422.db2.gz SGGMJRDSQPPKHC-PKIWBCANSA-N 0 3 326.440 3.685 20 30 EHEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894983892 1022355347 /nfs/dbraw/zinc/35/53/47/1022355347.db2.gz SZLNRSCCTKBSAN-LBPRGKRZSA-N 0 3 344.377 3.687 20 30 EHEDHN CC[C@H]1CCCN1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328834319 1022509503 /nfs/dbraw/zinc/50/95/03/1022509503.db2.gz LQWYRXXLWQPPJG-DZPQGLOJSA-N 0 3 333.476 3.700 20 30 EHEDHN O=C1C=COC2(CCN(C[C@H]3CCC4(CCCCCC4)O3)CC2)C1 ZINC000933644657 1022538759 /nfs/dbraw/zinc/53/87/59/1022538759.db2.gz SGMCMVPZSPZLGJ-GOSISDBHSA-N 0 3 333.472 3.596 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(OC(F)F)c(F)c1 ZINC000602675757 1033067416 /nfs/dbraw/zinc/06/74/16/1033067416.db2.gz KHZIXLKGDTXSRM-GFCCVEGCSA-N 0 3 342.361 3.616 20 30 EHEDHN CC(=O)c1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1Cl ZINC000330798274 1022677332 /nfs/dbraw/zinc/67/73/32/1022677332.db2.gz HSRRMUGSFDUKFW-NSHDSACASA-N 0 3 335.835 3.519 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)n1 ZINC000048787591 1022800851 /nfs/dbraw/zinc/80/08/51/1022800851.db2.gz HPMOSJKTPRHXHD-GFCCVEGCSA-N 0 3 341.358 3.922 20 30 EHEDHN N#CC(C(=O)C=Cc1ccccc1Cl)c1nnc2n1CCCCC2 ZINC000060851178 1033083706 /nfs/dbraw/zinc/08/37/06/1033083706.db2.gz ZWNWNRSMDHTYCF-ATWMFIQVSA-N 0 3 340.814 3.548 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000506309093 1022899738 /nfs/dbraw/zinc/89/97/38/1022899738.db2.gz JFHGSRBEICHTAH-OXJNMPFZSA-N 0 3 348.450 3.710 20 30 EHEDHN CC(C)(C)[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000506994689 1023067550 /nfs/dbraw/zinc/06/75/50/1023067550.db2.gz LGOJWKADOMFATA-FQEVSTJZSA-N 0 3 335.451 3.551 20 30 EHEDHN N#CCCOCCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000294766675 1023096369 /nfs/dbraw/zinc/09/63/69/1023096369.db2.gz YTXHSQMLTKKLCC-SFHVURJKSA-N 0 3 329.831 3.539 20 30 EHEDHN CC[C@@H](O)[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427005336 1023162653 /nfs/dbraw/zinc/16/26/53/1023162653.db2.gz RAFARHISKVSYAL-DLBZAZTESA-N 0 3 325.374 3.682 20 30 EHEDHN Cc1ccncc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000426168995 1023523545 /nfs/dbraw/zinc/52/35/45/1023523545.db2.gz XGHMBHPMOBPLLR-NSHDSACASA-N 0 3 326.306 3.625 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ncc(Br)s1 ZINC000280819024 1023959872 /nfs/dbraw/zinc/95/98/72/1023959872.db2.gz NATGFAAIJFBZBP-NHCYSSNCSA-N 0 3 331.279 3.537 20 30 EHEDHN CC[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000024252365 1033181254 /nfs/dbraw/zinc/18/12/54/1033181254.db2.gz OTQNVFYVJXOGGD-KRWDZBQOSA-N 0 3 327.815 3.891 20 30 EHEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000329809728 1024203234 /nfs/dbraw/zinc/20/32/34/1024203234.db2.gz BDBXVSXXFFMQFG-BDJLRTHQSA-N 0 3 344.846 3.517 20 30 EHEDHN CCc1nc(C)c(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)s1 ZINC000329899832 1024241344 /nfs/dbraw/zinc/24/13/44/1024241344.db2.gz FUNYGQIIPPLOMD-ZBFHGGJFSA-N 0 3 344.484 3.785 20 30 EHEDHN CC(C)(CCC#N)CNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000342293103 1024740682 /nfs/dbraw/zinc/74/06/82/1024740682.db2.gz ZPLVJJOLLMEAMW-UHFFFAOYSA-N 0 3 343.452 3.958 20 30 EHEDHN N#Cc1ccc([C@H](NC[C@@H]2CCCC[C@H]2c2ccccc2)C(N)=O)cc1 ZINC000514824550 1024768112 /nfs/dbraw/zinc/76/81/12/1024768112.db2.gz MUAFNUCILXJVOP-ACRUOGEOSA-N 0 3 347.462 3.648 20 30 EHEDHN C=CCn1cc(CNCC(Cc2ccccc2)Cc2ccccc2)nn1 ZINC000425357245 1024854132 /nfs/dbraw/zinc/85/41/32/1024854132.db2.gz RPGYITJFPUBBEB-UHFFFAOYSA-N 0 3 346.478 3.655 20 30 EHEDHN Cc1cc(C)c(CNC2(c3cccc(C#N)c3)CCOCC2)c(C)n1 ZINC000602893928 1033246207 /nfs/dbraw/zinc/24/62/07/1033246207.db2.gz COHOLEKLZLQIGB-UHFFFAOYSA-N 0 3 335.451 3.674 20 30 EHEDHN Cn1ncc2ccc(CNCc3cccc(OCCCC#N)c3)cc21 ZINC000514980492 1024940742 /nfs/dbraw/zinc/94/07/42/1024940742.db2.gz RVZCKZKSNOKMDK-UHFFFAOYSA-N 0 3 334.423 3.546 20 30 EHEDHN C=CCOc1ccccc1CN1CC2(CC(OC)(OC)C2)[C@H]1C(C)C ZINC000895997230 1025051132 /nfs/dbraw/zinc/05/11/32/1025051132.db2.gz XGFQJVFBYBTTFN-LJQANCHMSA-N 0 3 345.483 3.861 20 30 EHEDHN CN(C)C[C@H](NCC1(CC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000602916326 1033263291 /nfs/dbraw/zinc/26/32/91/1033263291.db2.gz SJZGUXXOZJVKHA-HNNXBMFYSA-N 0 3 326.271 3.880 20 30 EHEDHN CCNc1ccc(C#N)cc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000346884789 1025256253 /nfs/dbraw/zinc/25/62/53/1025256253.db2.gz ARUUKNOSPVCMSF-UHFFFAOYSA-N 0 3 348.450 3.838 20 30 EHEDHN COc1cc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)ccc1C#N ZINC000281797156 1025490978 /nfs/dbraw/zinc/49/09/78/1025490978.db2.gz VAFQJCLZHALWQA-AWEZNQCLSA-N 0 3 349.434 3.766 20 30 EHEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3cnc4ccccc4c3)C2)nc1 ZINC000896655003 1025816745 /nfs/dbraw/zinc/81/67/45/1025816745.db2.gz SCXPEMOXTVUAGZ-LJQANCHMSA-N 0 3 343.434 3.578 20 30 EHEDHN CC[C@H]1CCCC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000474907113 1025841056 /nfs/dbraw/zinc/84/10/56/1025841056.db2.gz RXSLEMDDNUIJJS-VQTJNVASSA-N 0 3 341.499 3.665 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000109800899 1025844883 /nfs/dbraw/zinc/84/48/83/1025844883.db2.gz ANSCTPVAJJVLOA-VQTJNVASSA-N 0 3 327.472 3.562 20 30 EHEDHN C[C@H](C(=O)NC1CC1)N1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000329438379 1025846471 /nfs/dbraw/zinc/84/64/71/1025846471.db2.gz KFVFXTAHEYRUSH-HIFRSBDPSA-N 0 3 345.491 3.539 20 30 EHEDHN C[C@H](C(=O)NC1CC1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329438379 1025846492 /nfs/dbraw/zinc/84/64/92/1025846492.db2.gz KFVFXTAHEYRUSH-HIFRSBDPSA-N 0 3 345.491 3.539 20 30 EHEDHN CC[C@@H]1C[C@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC(=O)N1 ZINC000329467118 1025885234 /nfs/dbraw/zinc/88/52/34/1025885234.db2.gz VXWVGGJUTKJJFK-RCCFBDPRSA-N 0 3 343.471 3.925 20 30 EHEDHN CCN1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000264035521 1025904198 /nfs/dbraw/zinc/90/41/98/1025904198.db2.gz OBOAMKWOSQSFGZ-UHFFFAOYSA-N 0 3 349.434 3.518 20 30 EHEDHN Cc1cc(C)nc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000329602424 1026060327 /nfs/dbraw/zinc/06/03/27/1026060327.db2.gz FVCLLCZXSMPXMI-FUHWJXTLSA-N 0 3 338.455 3.860 20 30 EHEDHN C[C@@H]1CN(Cc2cc(C#N)cs2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000896986854 1026208735 /nfs/dbraw/zinc/20/87/35/1026208735.db2.gz MNOBYYDBMSMYHB-UKRRQHHQSA-N 0 3 349.500 3.602 20 30 EHEDHN C=CCCN(C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000466973736 1026376155 /nfs/dbraw/zinc/37/61/55/1026376155.db2.gz OXHLVQHTKMPJSL-LJQANCHMSA-N 0 3 329.488 3.677 20 30 EHEDHN CC[C@H]1CCCC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000475322424 1026464678 /nfs/dbraw/zinc/46/46/78/1026464678.db2.gz OVVWGWCVDBPPRS-PMACEKPBSA-N 0 3 341.499 3.665 20 30 EHEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000186321624 1026495638 /nfs/dbraw/zinc/49/56/38/1026495638.db2.gz SQLXAAUIBPIJKG-MRXNPFEDSA-N 0 3 333.435 3.844 20 30 EHEDHN CC(C)(C#N)CCCCN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000375728556 1026931111 /nfs/dbraw/zinc/93/11/11/1026931111.db2.gz AKSVSARXAZOARP-UHFFFAOYSA-N 0 3 345.462 3.694 20 30 EHEDHN N#CCCn1cc(CN[C@@H]2CCCC[C@H]2F)c(-c2ccccc2)n1 ZINC000419808568 1027200957 /nfs/dbraw/zinc/20/09/57/1027200957.db2.gz CIBPNDAASNZUEU-QZTJIDSGSA-N 0 3 326.419 3.834 20 30 EHEDHN CCC(CC)N(CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000533405212 1027811405 /nfs/dbraw/zinc/81/14/05/1027811405.db2.gz SDPWVMQJKAOFLX-UHFFFAOYSA-N 0 3 331.485 3.894 20 30 EHEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115555982 1027983704 /nfs/dbraw/zinc/98/37/04/1027983704.db2.gz IELHGVGXVSOPMB-AOIWGVFYSA-N 0 3 339.483 3.596 20 30 EHEDHN C=CCCC1(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000475930433 1028688287 /nfs/dbraw/zinc/68/82/87/1028688287.db2.gz PJMKMVVBWROCDS-UHFFFAOYSA-N 0 3 336.545 3.601 20 30 EHEDHN CN(C)Cc1ccccc1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000454338650 1028767518 /nfs/dbraw/zinc/76/75/18/1028767518.db2.gz AQLXGKLQRBALDH-UHFFFAOYSA-N 0 3 349.478 3.505 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000424064414 1028782982 /nfs/dbraw/zinc/78/29/82/1028782982.db2.gz JYVYWMFSUNDRTA-SFHVURJKSA-N 0 3 331.435 3.508 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000424093058 1028796136 /nfs/dbraw/zinc/79/61/36/1028796136.db2.gz QMOJYVWUZNQZDH-OAHLLOKOSA-N 0 3 340.254 3.506 20 30 EHEDHN C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424099226 1028801224 /nfs/dbraw/zinc/80/12/24/1028801224.db2.gz UXHMSQKLWSCDIN-DOTOQJQBSA-N 0 3 341.480 3.859 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000424112682 1028810001 /nfs/dbraw/zinc/81/00/01/1028810001.db2.gz KZWCHNGYIDPMDQ-HXUWFJFHSA-N 0 3 335.451 3.567 20 30 EHEDHN N#CCCN(C(=O)CN1CCC[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000247745730 1028815457 /nfs/dbraw/zinc/81/54/57/1028815457.db2.gz PVEGSQPDOMWUHI-IEBWSBKVSA-N 0 3 325.456 3.588 20 30 EHEDHN C=CCN(CC=C)C(=O)CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000247999124 1028838918 /nfs/dbraw/zinc/83/89/18/1028838918.db2.gz NJDHXVKYXMBDKU-UHFFFAOYSA-N 0 3 337.467 3.548 20 30 EHEDHN CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424171652 1028871869 /nfs/dbraw/zinc/87/18/69/1028871869.db2.gz MJXXLBJOPXSYAH-OALUTQOASA-N 0 3 327.472 3.885 20 30 EHEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)c2ccccc21 ZINC000424187628 1028874362 /nfs/dbraw/zinc/87/43/62/1028874362.db2.gz JPNRXDPAGGTCSZ-PXAZEXFGSA-N 0 3 329.831 3.692 20 30 EHEDHN CCOC(=O)[C@H]1CC[C@@H](NCc2ccc(C#N)s2)c2ccccc21 ZINC000421887079 1028894690 /nfs/dbraw/zinc/89/46/90/1028894690.db2.gz SGTSPOWUSXEBIP-ZWKOTPCHSA-N 0 3 340.448 3.891 20 30 EHEDHN CC(C)C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000123776023 1029025277 /nfs/dbraw/zinc/02/52/77/1029025277.db2.gz YAVHGUDHEONFKT-GOSISDBHSA-N 0 3 327.472 3.706 20 30 EHEDHN CC(C)CN(CCc1ccccc1)CC(=O)Nc1sccc1C#N ZINC000532928081 1029052818 /nfs/dbraw/zinc/05/28/18/1029052818.db2.gz HPNSZSPMYZRVRU-UHFFFAOYSA-N 0 3 341.480 3.759 20 30 EHEDHN CN(C)CCN(C(=O)Nc1ccc(CC#N)cc1Cl)C1CCCC1 ZINC000455707521 1029854573 /nfs/dbraw/zinc/85/45/73/1029854573.db2.gz RVAZHQOCSOSHRN-UHFFFAOYSA-N 0 3 348.878 3.744 20 30 EHEDHN CC[C@@H](CN(CC)CC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000481746684 1029893130 /nfs/dbraw/zinc/89/31/30/1029893130.db2.gz SUGIISYLVWUAKS-MSOLQXFVSA-N 0 3 329.488 3.510 20 30 EHEDHN CC[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccsc1 ZINC000453198233 1029898601 /nfs/dbraw/zinc/89/86/01/1029898601.db2.gz PKYBHDIBMINXBP-ROUUACIJSA-N 0 3 339.464 3.856 20 30 EHEDHN CC[C@H](C)[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000525885923 1030204955 /nfs/dbraw/zinc/20/49/55/1030204955.db2.gz MYRFQKDHSVKZQZ-GUYCJALGSA-N 0 3 333.863 3.579 20 30 EHEDHN C[C@H](O)C[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000447830606 1030521268 /nfs/dbraw/zinc/52/12/68/1030521268.db2.gz KZXVPJZULDJSKB-YOEHRIQHSA-N 0 3 325.374 3.682 20 30 EHEDHN COc1ccc([C@H](CNc2nc(C)ccc2C#N)N2CCCC2)cc1 ZINC000160304449 1030664566 /nfs/dbraw/zinc/66/45/66/1030664566.db2.gz VCMMGHLYKCTQOX-IBGZPJMESA-N 0 3 336.439 3.519 20 30 EHEDHN C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000527193947 1030689851 /nfs/dbraw/zinc/68/98/51/1030689851.db2.gz XIEORRUERHBQJN-CQSZACIVSA-N 0 3 349.459 3.740 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCC)c2ccccc2)CC1 ZINC000171553149 1030794286 /nfs/dbraw/zinc/79/42/86/1030794286.db2.gz GYYVKQRMVUYZKK-IBGZPJMESA-N 0 3 329.488 3.868 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC1CCC1 ZINC000483131669 1030991465 /nfs/dbraw/zinc/99/14/65/1030991465.db2.gz CFEWEXNZOJAQNX-HNNXBMFYSA-N 0 3 345.512 3.999 20 30 EHEDHN COc1ccccc1[C@H](CNc1nccc(C)c1C#N)N1CCCC1 ZINC000343504766 1031154229 /nfs/dbraw/zinc/15/42/29/1031154229.db2.gz CGNAGCDYQIQLLA-SFHVURJKSA-N 0 3 336.439 3.519 20 30 EHEDHN CCc1nc(C)c([C@H](C)N(C)CCOc2cccc(C#N)c2)s1 ZINC000122067450 1031335196 /nfs/dbraw/zinc/33/51/96/1031335196.db2.gz BTQGMZRFHLWMMS-AWEZNQCLSA-N 0 3 329.469 3.957 20 30 EHEDHN COc1cccc([C@@H](CN[C@H](C)c2ccc(C#N)cc2F)OC)c1 ZINC000527932653 1031496628 /nfs/dbraw/zinc/49/66/28/1031496628.db2.gz XPZOEZMXOKQRKS-BFUOFWGJSA-N 0 3 328.387 3.744 20 30 EHEDHN CCN(CCc1ccccc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343623917 1031664938 /nfs/dbraw/zinc/66/49/38/1031664938.db2.gz NUIHWLVZFFOYFN-LJQANCHMSA-N 0 3 349.478 3.886 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000598585913 1033314567 /nfs/dbraw/zinc/31/45/67/1033314567.db2.gz LXEYNUJZOFJDBA-KBPBESRZSA-N 0 3 338.854 3.787 20 30 EHEDHN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594429150 1033365264 /nfs/dbraw/zinc/36/52/64/1033365264.db2.gz RDPGTNIBHCRCSY-DOMZBBRYSA-N 0 3 341.377 3.636 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000594433695 1033371984 /nfs/dbraw/zinc/37/19/84/1033371984.db2.gz QUDOKAFHAGSSLH-AWEZNQCLSA-N 0 3 327.350 3.531 20 30 EHEDHN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594435735 1033372219 /nfs/dbraw/zinc/37/22/19/1033372219.db2.gz JNQBPZFVMODJCV-IAQYHMDHSA-N 0 3 342.270 3.924 20 30 EHEDHN CC(C)Cc1ccc([C@@H](NC(=O)[C@H](N)CCCCC#N)C2CC2)cc1 ZINC000594437245 1033374424 /nfs/dbraw/zinc/37/44/24/1033374424.db2.gz KVPXHMDLNCDDCT-WOJBJXKFSA-N 0 3 341.499 3.864 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000594446164 1033377729 /nfs/dbraw/zinc/37/77/29/1033377729.db2.gz QWOJDPKLZLZHCV-KGLIPLIRSA-N 0 3 340.254 3.508 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000594445137 1033378472 /nfs/dbraw/zinc/37/84/72/1033378472.db2.gz AQHQSNRUKJAGGT-AWEZNQCLSA-N 0 3 327.350 3.531 20 30 EHEDHN COc1ccc(C#N)cc1CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000611938806 1033450286 /nfs/dbraw/zinc/45/02/86/1033450286.db2.gz YXHMEUNGBVYOKH-NRFANRHFSA-N 0 3 349.478 3.884 20 30 EHEDHN CC(=O)N1CC[C@H](NCc2ccc(C3(C#N)CC3)cc2)c2ccccc21 ZINC000594940253 1033589494 /nfs/dbraw/zinc/58/94/94/1033589494.db2.gz YNFCVIWXFHCNST-FQEVSTJZSA-N 0 3 345.446 3.829 20 30 EHEDHN Cc1c([C@@H](C)NCCc2ccc(C#N)cc2)nnn1-c1ccc(C)cc1 ZINC000595056812 1033635432 /nfs/dbraw/zinc/63/54/32/1033635432.db2.gz WVRUXOKHIDRDSI-MRXNPFEDSA-N 0 3 345.450 3.649 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccncc2)ccc1OC ZINC000174091447 1033735751 /nfs/dbraw/zinc/73/57/51/1033735751.db2.gz ARKURRHHPPEUGZ-PBHICJAKSA-N 0 3 325.412 3.622 20 30 EHEDHN C[C@]1(CNc2nc(Cl)c(C#N)s2)CCN(Cc2ccccc2)C1 ZINC000309720784 1033776041 /nfs/dbraw/zinc/77/60/41/1033776041.db2.gz MENJDHHYSXOLMO-QGZVFWFLSA-N 0 3 346.887 3.992 20 30 EHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1cc(OC)c(OC)c(OC)c1 ZINC000593704804 1033817461 /nfs/dbraw/zinc/81/74/61/1033817461.db2.gz UTXFFWGRPHHAPQ-QGZVFWFLSA-N 0 3 340.423 3.825 20 30 EHEDHN CCC(C#N)(CC)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000599225029 1033824412 /nfs/dbraw/zinc/82/44/12/1033824412.db2.gz HVEGJBJPPLZARG-UHFFFAOYSA-N 0 3 345.512 3.546 20 30 EHEDHN C[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CCc2ccccc21 ZINC000593097303 1033939370 /nfs/dbraw/zinc/93/93/70/1033939370.db2.gz XSMKDRGFAXECJY-HNNXBMFYSA-N 0 3 344.418 3.770 20 30 EHEDHN COc1cc(CN2CC[C@H]3C[C@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000595812734 1033991968 /nfs/dbraw/zinc/99/19/68/1033991968.db2.gz YPXVGFMZQUVRLN-PMACEKPBSA-N 0 3 348.446 3.988 20 30 EHEDHN N#Cc1c(F)cccc1N1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000603875505 1033999255 /nfs/dbraw/zinc/99/92/55/1033999255.db2.gz PLLHSUWAGJDLKG-FQEVSTJZSA-N 0 3 335.426 3.897 20 30 EHEDHN C[C@H]1CN(Cc2ccc(CC#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583939 1034026362 /nfs/dbraw/zinc/02/63/62/1034026362.db2.gz SWOQNVLMBBUMLS-YJBOKZPZSA-N 0 3 328.456 3.552 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599587027 1034027212 /nfs/dbraw/zinc/02/72/12/1034027212.db2.gz KKXYNNSSSGCHIZ-RVKKMQEKSA-N 0 3 328.456 3.919 20 30 EHEDHN Cc1cccc([C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C(C)C)c1 ZINC000599628131 1034052083 /nfs/dbraw/zinc/05/20/83/1034052083.db2.gz PKPLHDQIMDJAGY-HQRMLTQVSA-N 0 3 329.488 3.725 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596218878 1034124885 /nfs/dbraw/zinc/12/48/85/1034124885.db2.gz NFAOANLQJLERDN-BXUZGUMPSA-N 0 3 332.860 3.601 20 30 EHEDHN C=CCCC1(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000456321546 1034326857 /nfs/dbraw/zinc/32/68/57/1034326857.db2.gz CVJNGVORHWIANS-GOSISDBHSA-N 0 3 326.484 3.713 20 30 EHEDHN CCCN(CCC(=O)Nc1sccc1C#N)Cc1ccccc1F ZINC000604493286 1034398338 /nfs/dbraw/zinc/39/83/38/1034398338.db2.gz DTFMYHGZQYYWJH-UHFFFAOYSA-N 0 3 345.443 4.000 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000596894128 1034430389 /nfs/dbraw/zinc/43/03/89/1034430389.db2.gz HHJMHLZHWXWEGL-IEBWSBKVSA-N 0 3 339.483 3.802 20 30 EHEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1COc2ccccc2O1 ZINC000596978056 1034476676 /nfs/dbraw/zinc/47/66/76/1034476676.db2.gz SICNOSUFMHFBRX-GOSISDBHSA-N 0 3 334.419 3.514 20 30 EHEDHN N#Cc1ccccc1N1CCCN(Cc2cc3ccncc3s2)CC1 ZINC000596987259 1034493618 /nfs/dbraw/zinc/49/36/18/1034493618.db2.gz JUHCEJHXGOWXBV-UHFFFAOYSA-N 0 3 348.475 3.880 20 30 EHEDHN N#CC(C(=O)C[C@@H]1CCCc2ccccc21)C(=O)NC1CCCCC1 ZINC000171776838 1034616615 /nfs/dbraw/zinc/61/66/15/1034616615.db2.gz FXOZYFXHDVCURL-QFBILLFUSA-N 0 3 338.451 3.654 20 30 EHEDHN CC1(C)CO[C@@H](CCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000892490311 1034839079 /nfs/dbraw/zinc/83/90/79/1034839079.db2.gz SICDCKPBJJTVCH-QWHCGFSZSA-N 0 3 348.830 3.583 20 30 EHEDHN N#Cc1c(F)cccc1CNCC1(c2ccc(F)cc2)CCOCC1 ZINC000602008261 1034856958 /nfs/dbraw/zinc/85/69/58/1034856958.db2.gz SOECEXFLSMELGA-UHFFFAOYSA-N 0 3 342.389 3.674 20 30 EHEDHN N#CC(C(=O)CC[C@H]1CCc2ccccc21)C(=O)Nc1ccccc1 ZINC000892494179 1034901428 /nfs/dbraw/zinc/90/14/28/1034901428.db2.gz BEWIYWDLWCGIDG-VQIMIIECSA-N 0 3 332.403 3.844 20 30 EHEDHN C=CCOc1ccccc1CN[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000310653131 1035255653 /nfs/dbraw/zinc/25/56/53/1035255653.db2.gz KMZOAYFSNDQADV-DLBZAZTESA-N 0 3 346.471 3.787 20 30 EHEDHN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000177945992 1035461948 /nfs/dbraw/zinc/46/19/48/1035461948.db2.gz CJKBHPCVSSTACV-CQSZACIVSA-N 0 3 330.771 3.765 20 30 EHEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000582018485 1035679234 /nfs/dbraw/zinc/67/92/34/1035679234.db2.gz SFRQIJQKEYOBFY-XCLFUZPHSA-N 0 3 334.398 3.758 20 30 EHEDHN CCN(CC)C(=O)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443960967 1035974429 /nfs/dbraw/zinc/97/44/29/1035974429.db2.gz DIOJHPSSJUQRGJ-UHFFFAOYSA-N 0 3 335.451 3.639 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063300128 1036042911 /nfs/dbraw/zinc/04/29/11/1036042911.db2.gz WTOHEBJMPFFSOZ-UHFFFAOYSA-N 0 3 337.398 3.714 20 30 EHEDHN C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1cccc(C#N)c1 ZINC000075267888 1036160247 /nfs/dbraw/zinc/16/02/47/1036160247.db2.gz KOEXGCMHQGIYNC-MRXNPFEDSA-N 0 3 333.435 3.645 20 30 EHEDHN C=CCC1(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CCC1 ZINC000191906300 1036442336 /nfs/dbraw/zinc/44/23/36/1036442336.db2.gz ICRIHXDWCVBHQF-GOSISDBHSA-N 0 3 326.484 3.856 20 30 EHEDHN C[C@@H](NC(C)(C)c1cccs1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000541644983 1036537262 /nfs/dbraw/zinc/53/72/62/1036537262.db2.gz MCNIWFPTBXCYGQ-XAUUPUKJSA-N 0 3 347.528 3.892 20 30 EHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000464536658 1036544232 /nfs/dbraw/zinc/54/42/32/1036544232.db2.gz CNINQOGVSZRFRB-FXAWDEMLSA-N 0 3 328.500 3.788 20 30 EHEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000541781305 1036634098 /nfs/dbraw/zinc/63/40/98/1036634098.db2.gz XQGBDQHFKWLSRQ-UHFFFAOYSA-N 0 3 327.815 3.834 20 30 EHEDHN Cc1cc([C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2CC2)ccc1F ZINC000539424565 1036747855 /nfs/dbraw/zinc/74/78/55/1036747855.db2.gz OMZVGRPFJPFPFE-LXGCGDOSSA-N 0 3 345.462 3.618 20 30 EHEDHN COCCCOc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271920673 1037782566 /nfs/dbraw/zinc/78/25/66/1037782566.db2.gz DPENHWGOMNGGEJ-OAHLLOKOSA-N 0 3 342.414 3.963 20 30 EHEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3Cl)CCC2)CC1 ZINC000651273568 1037877070 /nfs/dbraw/zinc/87/70/70/1037877070.db2.gz QWWMPRAXLDSDST-UHFFFAOYSA-N 0 3 332.875 3.528 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000494219054 1037904357 /nfs/dbraw/zinc/90/43/57/1037904357.db2.gz HABGIDQEOOPREM-JKSUJKDBSA-N 0 3 333.501 3.635 20 30 EHEDHN CC(C)(C)OC(=O)c1cccc(CNCc2ccc(CC#N)cc2)c1 ZINC000592371089 1037919552 /nfs/dbraw/zinc/91/95/52/1037919552.db2.gz DEEOEOORRNMBDQ-UHFFFAOYSA-N 0 3 336.435 3.998 20 30 EHEDHN Cc1ccccc1[C@H](NCC(=O)NCc1ccc(C#N)cc1)C(C)(C)C ZINC000540455835 1037981215 /nfs/dbraw/zinc/98/12/15/1037981215.db2.gz CYVKTQMECGUGBZ-NRFANRHFSA-N 0 3 349.478 3.860 20 30 EHEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OCC ZINC000041519764 1038116254 /nfs/dbraw/zinc/11/62/54/1038116254.db2.gz MSNQVUYENIWKDJ-CYBMUJFWSA-N 0 3 330.409 3.739 20 30 EHEDHN CCOc1ccccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555322 1038118850 /nfs/dbraw/zinc/11/88/50/1038118850.db2.gz HVFJDVOGSGTDOO-ZDUSSCGKSA-N 0 3 334.297 3.989 20 30 EHEDHN CCCCC[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000181744401 1038478377 /nfs/dbraw/zinc/47/83/77/1038478377.db2.gz KKNHNWBDUQEAQA-QUCCMNQESA-N 0 3 327.472 3.706 20 30 EHEDHN C[C@@H](C(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000461889645 1038662812 /nfs/dbraw/zinc/66/28/12/1038662812.db2.gz MSHNEHIGHFKAJP-UTKZUKDTSA-N 0 3 347.462 3.615 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000539281069 1038757903 /nfs/dbraw/zinc/75/79/03/1038757903.db2.gz RVBSSLTXEPEWLW-JOCHJYFZSA-N 0 3 349.478 3.942 20 30 EHEDHN CN(C)Cc1ccc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)c(F)c1 ZINC000910424472 1038903791 /nfs/dbraw/zinc/90/37/91/1038903791.db2.gz ONBFVBQTDXWTIB-TYJKZOGGSA-N 0 3 329.419 3.546 20 30 EHEDHN N#Cc1csc(CNC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC001203209354 1039122101 /nfs/dbraw/zinc/12/21/01/1039122101.db2.gz ZZJPUCDXZNSACL-CQSZACIVSA-N 0 3 327.236 3.750 20 30 EHEDHN Cc1cc(C)cc(OC[C@H](O)CN[C@H](CCC#N)c2ccccc2)c1 ZINC000553385291 1040035962 /nfs/dbraw/zinc/03/59/62/1040035962.db2.gz WXXYLAWQDNEVHF-TZIWHRDSSA-N 0 3 338.451 3.678 20 30 EHEDHN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512637096 1040362940 /nfs/dbraw/zinc/36/29/40/1040362940.db2.gz RLVVVLHMJDCODM-GOEBONIOSA-N 0 3 339.414 3.635 20 30 EHEDHN C[C@H](NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc(C#N)cc1F ZINC000512661364 1040446186 /nfs/dbraw/zinc/44/61/86/1040446186.db2.gz RMPILHIEIHLSSI-ORAYPTAESA-N 0 3 329.394 3.790 20 30 EHEDHN Cc1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)ccc1C#N ZINC000486795564 1040455340 /nfs/dbraw/zinc/45/53/40/1040455340.db2.gz QEMCYEAOKGPPJJ-UHFFFAOYSA-N 0 3 337.442 3.714 20 30 EHEDHN N#CCCC[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000433033357 1040511952 /nfs/dbraw/zinc/51/19/52/1040511952.db2.gz VCBXRQVMKNSBSD-HXUWFJFHSA-N 0 3 347.462 3.991 20 30 EHEDHN CN(C)C(=O)c1cccc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433040288 1040526675 /nfs/dbraw/zinc/52/66/75/1040526675.db2.gz QBHGKIRSGHXQFP-FQEVSTJZSA-N 0 3 335.451 3.913 20 30 EHEDHN C=CCN1CCC(NC(=O)N2c3ccccc3C(C)(C)[C@@H]2C)CC1 ZINC000664019855 1040830808 /nfs/dbraw/zinc/83/08/08/1040830808.db2.gz NKQGKWAELKULND-HNNXBMFYSA-N 0 3 327.472 3.533 20 30 EHEDHN C#CCN(C(=S)Nc1ccc2ccccc2c1)C1CCN(C)CC1 ZINC000899613630 1040877303 /nfs/dbraw/zinc/87/73/03/1040877303.db2.gz IORCAVHTWQPPPB-UHFFFAOYSA-N 0 3 337.492 3.566 20 30 EHEDHN CCOc1c(Cl)cccc1CNCCOc1ccc(C#N)cc1 ZINC000487323227 1040913275 /nfs/dbraw/zinc/91/32/75/1040913275.db2.gz NMOGUBZXUIWGAQ-UHFFFAOYSA-N 0 3 330.815 3.779 20 30 EHEDHN COCCc1nc(C)c([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)s1 ZINC000092740968 1040960666 /nfs/dbraw/zinc/96/06/66/1040960666.db2.gz UWSPNXITRNTNKO-CHWSQXEVSA-N 0 3 329.469 3.924 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000106315873 1041085234 /nfs/dbraw/zinc/08/52/34/1041085234.db2.gz YKNMRBLVISBGJA-UHFFFAOYSA-N 0 3 325.815 3.641 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCc3c(C)cccc32)CC1 ZINC000660598405 1041713531 /nfs/dbraw/zinc/71/35/31/1041713531.db2.gz YNNWXWMLMMCZJM-FQEVSTJZSA-N 0 3 341.499 3.712 20 30 EHEDHN CC1CCC(N2CCN(C(=O)CC3(C#N)CCCCC3)CC2)CC1 ZINC001126218590 1042640864 /nfs/dbraw/zinc/64/08/64/1042640864.db2.gz NSJZXIIJQLTPII-UHFFFAOYSA-N 0 3 331.504 3.573 20 30 EHEDHN CCC#C[C@@H](C)N1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 ZINC000662377192 1042696600 /nfs/dbraw/zinc/69/66/00/1042696600.db2.gz KTXUMPKABPWVCS-MRXNPFEDSA-N 0 3 345.487 3.542 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(-c3ccco3)cc2F)CC1 ZINC000278959927 1043088247 /nfs/dbraw/zinc/08/82/47/1043088247.db2.gz PDLGNGZIFOANPC-UHFFFAOYSA-N 0 3 343.402 3.858 20 30 EHEDHN CCOc1c(OC)cc(CN[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000344118114 1043284766 /nfs/dbraw/zinc/28/47/66/1043284766.db2.gz YKQIURWDVLVLCT-CQSZACIVSA-N 0 3 340.423 3.825 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000344459372 1044032431 /nfs/dbraw/zinc/03/24/31/1044032431.db2.gz WNYYIWJJHLEVEZ-OXQOHEQNSA-N 0 3 348.450 3.651 20 30 EHEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(C)cc1 ZINC000192675012 1126926733 /nfs/dbraw/zinc/92/67/33/1126926733.db2.gz MDNNZKCRCOMJTD-AEFFLSMTSA-N 0 3 327.472 3.767 20 30 EHEDHN C=CCC[C@H](NCC(=O)NCc1cccc(OC)c1)c1ccccc1 ZINC000180037011 1127112928 /nfs/dbraw/zinc/11/29/28/1127112928.db2.gz ZDZMZXGVOYNHCT-FQEVSTJZSA-N 0 3 338.451 3.609 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NCc1ccccc1OC)c1ccccc1 ZINC000180044944 1127113684 /nfs/dbraw/zinc/11/36/84/1127113684.db2.gz KQXKHOUTZUWBGJ-LJQANCHMSA-N 0 3 338.451 3.609 20 30 EHEDHN C[C@](C#N)(NC(=O)CN[C@H](CC1CCCC1)c1ccccc1)C1CC1 ZINC000181940545 1127303937 /nfs/dbraw/zinc/30/39/37/1127303937.db2.gz FADSKDUPBDPKKB-TZIWHRDSSA-N 0 3 339.483 3.706 20 30 EHEDHN CCCC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(OC)cc1 ZINC000182143688 1127314018 /nfs/dbraw/zinc/31/40/18/1127314018.db2.gz BPXBUIVGGRPDAQ-AZUAARDMSA-N 0 3 345.487 3.571 20 30 EHEDHN CN(CCOc1ccccc1Br)Cc1cccc(C#N)c1 ZINC000508892632 1127809501 /nfs/dbraw/zinc/80/95/01/1127809501.db2.gz XZZAEDSQHCEJFD-UHFFFAOYSA-N 0 3 345.240 3.832 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cc(C#N)ccc1F)c1ccco1 ZINC000888367825 1127970183 /nfs/dbraw/zinc/97/01/83/1127970183.db2.gz RDWXIINIVUIMTG-LRDDRELGSA-N 0 3 344.390 3.541 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000107071056 1128523709 /nfs/dbraw/zinc/52/37/09/1128523709.db2.gz VLAXTJIBBIPVNI-CHWSQXEVSA-N 0 3 327.815 3.889 20 30 EHEDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)cc1 ZINC000301457227 1128592516 /nfs/dbraw/zinc/59/25/16/1128592516.db2.gz CIZHEHIFMUCTER-QGZVFWFLSA-N 0 3 344.802 3.835 20 30 EHEDHN N#Cc1ccc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cn1 ZINC000301521164 1128595229 /nfs/dbraw/zinc/59/52/29/1128595229.db2.gz NIOXPCRWNVJFMO-SFHVURJKSA-N 0 3 326.831 3.856 20 30 EHEDHN N#Cc1ccc(NCC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000301540282 1128595806 /nfs/dbraw/zinc/59/58/06/1128595806.db2.gz VGCQWDGZCQWSHM-UHFFFAOYSA-N 0 3 340.858 3.931 20 30 EHEDHN COc1ccc([C@H](CNc2ccc(C#N)nc2)N2CCCCC2)cc1 ZINC000301588989 1128597145 /nfs/dbraw/zinc/59/71/45/1128597145.db2.gz PXVPUPAJQGGFQR-FQEVSTJZSA-N 0 3 336.439 3.601 20 30 EHEDHN CN1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)[C@@H]1c1ccccc1 ZINC000301829278 1128606916 /nfs/dbraw/zinc/60/69/16/1128606916.db2.gz GTXOJTDYDOTJDA-ZBFHGGJFSA-N 0 3 346.356 3.829 20 30 EHEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(C2CCCC2)CC1 ZINC000542783657 1128612237 /nfs/dbraw/zinc/61/22/37/1128612237.db2.gz BUQMTDRDLYJVFM-QGZVFWFLSA-N 0 3 348.288 3.574 20 30 EHEDHN CC(=O)c1ccc(C#N)cc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000302115525 1128620248 /nfs/dbraw/zinc/62/02/48/1128620248.db2.gz RJVVXJHBLKRCPP-FQEVSTJZSA-N 0 3 347.462 3.862 20 30 EHEDHN Cc1ccc(C#N)c(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)n1 ZINC000302226232 1128627603 /nfs/dbraw/zinc/62/76/03/1128627603.db2.gz SLKMVFFSLAFPLZ-INIZCTEOSA-N 0 3 348.372 3.995 20 30 EHEDHN N#Cc1ccc([C@H](O)CN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000305079675 1128764710 /nfs/dbraw/zinc/76/47/10/1128764710.db2.gz TWJMUYMVRAVCHI-LJQANCHMSA-N 0 3 347.418 3.612 20 30 EHEDHN Cc1noc(C)c1CCCNCc1cc(C#N)ccc1Br ZINC000921825900 1128791337 /nfs/dbraw/zinc/79/13/37/1128791337.db2.gz GXWKOUMPEPQKKF-UHFFFAOYSA-N 0 3 348.244 3.648 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000111741808 1128884578 /nfs/dbraw/zinc/88/45/78/1128884578.db2.gz MZWMMLIBUYGRNF-MRXNPFEDSA-N 0 3 336.439 3.509 20 30 EHEDHN C=CCCC(C)(C)CNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC001687270274 1120123934 /nfs/dbraw/zinc/12/39/34/1120123934.db2.gz AFSHIVOHMFHVIL-SFHVURJKSA-N 0 3 347.503 3.590 20 30 EHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(CC#N)c1 ZINC000187320421 1120493548 /nfs/dbraw/zinc/49/35/48/1120493548.db2.gz PVDFELHKKYGHTN-OAQYLSRUSA-N 0 3 349.478 3.639 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCc3c(cccc3C(C)C)C2)CC1 ZINC000190562912 1120643426 /nfs/dbraw/zinc/64/34/26/1120643426.db2.gz SZQYDCODQGGGSV-UHFFFAOYSA-N 0 3 341.499 3.528 20 30 EHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(C2CC2)CC1 ZINC000542524052 1120907766 /nfs/dbraw/zinc/90/77/66/1120907766.db2.gz HXKPNWFFXHLYHC-ZDUSSCGKSA-N 0 3 329.469 3.552 20 30 EHEDHN N#CC(C(=O)CCc1cccnc1)c1nc2ccccc2n1C(F)F ZINC000915107103 1121197194 /nfs/dbraw/zinc/19/71/94/1121197194.db2.gz MKOZHZUPFYOHQV-CYBMUJFWSA-N 0 3 340.333 3.635 20 30 EHEDHN CC(C)[C@H]1C[C@H](NCc2cc(C#N)ccc2Br)CCO1 ZINC000921959416 1128973964 /nfs/dbraw/zinc/97/39/64/1128973964.db2.gz FYILWSBTXLTIRI-GDBMZVCRSA-N 0 3 337.261 3.614 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2nc(C)c(C)s2)c([O-])c1 ZINC000763095776 1121680195 /nfs/dbraw/zinc/68/01/95/1121680195.db2.gz GARPXYOVIVDZHU-XDHOZWIPSA-N 0 3 331.485 3.973 20 30 EHEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000496950190 1122217025 /nfs/dbraw/zinc/21/70/25/1122217025.db2.gz PAVKQKAHHCDVJP-XQQFMLRXSA-N 0 3 335.423 3.650 20 30 EHEDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000497049115 1122254664 /nfs/dbraw/zinc/25/46/64/1122254664.db2.gz XEVYLZHIEFXGIN-AWEZNQCLSA-N 0 3 349.500 3.747 20 30 EHEDHN CCC(=O)N[C@@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000130481586 1122373578 /nfs/dbraw/zinc/37/35/78/1122373578.db2.gz NDHKRMIPYPYWFT-HXUWFJFHSA-N 0 3 347.462 3.716 20 30 EHEDHN C=CCN1CC[C@@H](N[C@H](c2oc3ccccc3c2C)C(C)C)C1=O ZINC000499608942 1129077437 /nfs/dbraw/zinc/07/74/37/1129077437.db2.gz WYKILBSXXLKYGJ-AEFFLSMTSA-N 0 3 326.440 3.815 20 30 EHEDHN C=CCSc1nc2ccccc2n1CN(CC)C[C@H]1CCCO1 ZINC000919944982 1123241178 /nfs/dbraw/zinc/24/11/78/1123241178.db2.gz DVYGAEWJYRHKMR-OAHLLOKOSA-N 0 3 331.485 3.773 20 30 EHEDHN CCCCSCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000920266952 1123351925 /nfs/dbraw/zinc/35/19/25/1123351925.db2.gz CBDYMMAHUBDUBN-ZDUSSCGKSA-N 0 3 331.466 3.915 20 30 EHEDHN CC(C)[C@@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000920419346 1123366859 /nfs/dbraw/zinc/36/68/59/1123366859.db2.gz ZCOLNTDDKQGAEO-ZFWWWQNUSA-N 0 3 327.453 3.593 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175095737 1123593320 /nfs/dbraw/zinc/59/33/20/1123593320.db2.gz RLZMTQZQVKWPIQ-VXGBXAGGSA-N 0 3 340.876 3.910 20 30 EHEDHN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000610001818 1123710857 /nfs/dbraw/zinc/71/08/57/1123710857.db2.gz BWEMYVUOADTPDC-MJGOQNOKSA-N 0 3 327.472 3.834 20 30 EHEDHN CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(F)ccc2[O-])ccc1OC ZINC000180710970 1124059210 /nfs/dbraw/zinc/05/92/10/1124059210.db2.gz ZZQDRGUXDZJORW-INIZCTEOSA-N 0 3 344.386 3.511 20 30 EHEDHN C[C@@H](NCc1ccccc1CN1CCCC1=O)c1cccc(C#N)c1 ZINC000181472706 1124866284 /nfs/dbraw/zinc/86/62/84/1124866284.db2.gz SWRXSHNVRDAZRJ-MRXNPFEDSA-N 0 3 333.435 3.531 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(OCC(F)F)cc1 ZINC000618742139 1125179769 /nfs/dbraw/zinc/17/97/69/1125179769.db2.gz RPMJRIQDVZXDEN-GOSISDBHSA-N 0 3 328.362 3.979 20 30 EHEDHN N#Cc1ccc(CN2CCCN(Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000619067587 1125271330 /nfs/dbraw/zinc/27/13/30/1125271330.db2.gz ZRIKFTMJRAUZJQ-UHFFFAOYSA-N 0 3 344.462 3.747 20 30 EHEDHN N#CC1(c2ccccn2)CCN(Cc2cccc3cnccc32)CC1 ZINC000619726303 1125389751 /nfs/dbraw/zinc/38/97/51/1125389751.db2.gz GSPBTCRUOUTSMC-UHFFFAOYSA-N 0 3 328.419 3.687 20 30 EHEDHN C[C@H](CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)(C)C ZINC000619843791 1125415504 /nfs/dbraw/zinc/41/55/04/1125415504.db2.gz FHFVVTABMIDRCW-CQSZACIVSA-N 0 3 342.443 3.610 20 30 EHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000154373475 1129553715 /nfs/dbraw/zinc/55/37/15/1129553715.db2.gz DUNDLNHFDZRTMX-UHFFFAOYSA-N 0 3 334.467 3.964 20 30 EHEDHN C=CCc1cc(CNCc2ccc3c(c2)C[C@@H](C)O3)cc(OC)c1O ZINC000922702221 1129637174 /nfs/dbraw/zinc/63/71/74/1129637174.db2.gz HEVQJHRPVMDVCJ-CQSZACIVSA-N 0 3 339.435 3.743 20 30 EHEDHN C=C(C)CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000509007544 1129639809 /nfs/dbraw/zinc/63/98/09/1129639809.db2.gz QJKKEVWVUWXFCZ-QGZVFWFLSA-N 0 3 348.288 3.598 20 30 EHEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CC1CCC(C#N)CC1 ZINC001168750168 1129937791 /nfs/dbraw/zinc/93/77/91/1129937791.db2.gz IQESUTPHGAAGCZ-XNIRIUNOSA-N 0 3 335.492 3.646 20 30 EHEDHN CCN(C)c1ccccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000730108071 1130673679 /nfs/dbraw/zinc/67/36/79/1130673679.db2.gz FLWAJHOTIUPWJS-UHFFFAOYSA-N 0 3 336.483 3.782 20 30 EHEDHN CO[C@](C)(C(=O)C(C#N)c1ccc2ccccc2n1)c1ccccc1 ZINC000730394635 1130704682 /nfs/dbraw/zinc/70/46/82/1130704682.db2.gz JUAPZAUCJIXOOG-UWJYYQICSA-N 0 3 330.387 3.973 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CNc2ccnc3ccccc32)ccc1OC ZINC000733302419 1131018755 /nfs/dbraw/zinc/01/87/55/1131018755.db2.gz TYJFCBNUPAXNMH-MRXNPFEDSA-N 0 3 347.418 3.958 20 30 EHEDHN COc1cc([C@@H](C)NCCSCc2ccccc2C#N)c(F)cn1 ZINC000348056570 1131143927 /nfs/dbraw/zinc/14/39/27/1131143927.db2.gz CGTGMPFGICDOMQ-CYBMUJFWSA-N 0 3 345.443 3.685 20 30 EHEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCC1 ZINC000740886611 1131553858 /nfs/dbraw/zinc/55/38/58/1131553858.db2.gz XIAWETBJUKGIAL-AWEZNQCLSA-N 0 3 327.453 3.735 20 30 EHEDHN Cc1cccc(N2CCC[C@]3(C2)CN([C@H](C)CCCC#N)CCO3)c1 ZINC001172495669 1131758556 /nfs/dbraw/zinc/75/85/56/1131758556.db2.gz SLHCCUWWFLIGJD-TZIWHRDSSA-N 0 3 341.499 3.749 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cc(C#N)ccc2F)c([O-])c1 ZINC000743042321 1131841567 /nfs/dbraw/zinc/84/15/67/1131841567.db2.gz IYNOZKBFRABBRE-WSDLNYQXSA-N 0 3 325.387 3.868 20 30 EHEDHN Cc1ccc(N2CCC[C@H](N[C@@H](C)c3cccc(C#N)c3)C2=O)cc1 ZINC000743490601 1131933355 /nfs/dbraw/zinc/93/33/55/1131933355.db2.gz KGXXYBXHAYHGCO-JXFKEZNVSA-N 0 3 333.435 3.713 20 30 EHEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000744028944 1132006814 /nfs/dbraw/zinc/00/68/14/1132006814.db2.gz PEJWCRJHHRBCGG-NEPJUHHUSA-N 0 3 330.771 3.693 20 30 EHEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000744032515 1132013959 /nfs/dbraw/zinc/01/39/59/1132013959.db2.gz GHBBCCJPEWFBBT-UXHICEINSA-N 0 3 348.446 3.636 20 30 EHEDHN CC1(C#N)CCC(N2CCN(Cc3c(F)cccc3F)CC2)CC1 ZINC001173601637 1132102915 /nfs/dbraw/zinc/10/29/15/1132102915.db2.gz XHRYEGICCGRTLP-UHFFFAOYSA-N 0 3 333.426 3.555 20 30 EHEDHN COc1ccc(NC(=O)c2cccc(CN3CCCCC3)c2)cc1C#N ZINC001174752600 1132466597 /nfs/dbraw/zinc/46/65/97/1132466597.db2.gz BBIVUYAAMJLVTH-UHFFFAOYSA-N 0 3 349.434 3.805 20 30 EHEDHN C[C@@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168815769 1132569184 /nfs/dbraw/zinc/56/91/84/1132569184.db2.gz IUXXKQJEJXQZGL-RHSMWYFYSA-N 0 3 341.455 3.535 20 30 EHEDHN C[C@@H]1C[C@H](NC2(c3ccc(C#N)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168815768 1132569225 /nfs/dbraw/zinc/56/92/25/1132569225.db2.gz IUXXKQJEJXQZGL-PBHICJAKSA-N 0 3 341.455 3.535 20 30 EHEDHN CC(=O)Nc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1C#N ZINC001175506127 1132694535 /nfs/dbraw/zinc/69/45/35/1132694535.db2.gz PZPGUUOPHVZCTF-UHFFFAOYSA-N 0 3 346.434 3.718 20 30 EHEDHN C#CCC1(NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCC1 ZINC001176380905 1132915038 /nfs/dbraw/zinc/91/50/38/1132915038.db2.gz GJLLMNGIOOJLLK-UHFFFAOYSA-N 0 3 344.764 3.833 20 30 EHEDHN COc1ccc(CN(C)Cc2ccc(O[C@H](C)C#N)cc2)cc1OC ZINC000768168293 1133104306 /nfs/dbraw/zinc/10/43/06/1133104306.db2.gz HTIHPOSENNRFDZ-OAHLLOKOSA-N 0 3 340.423 3.627 20 30 EHEDHN C#CCOc1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000768234420 1133116041 /nfs/dbraw/zinc/11/60/41/1133116041.db2.gz KCTGKFQLZNIULX-UHFFFAOYSA-N 0 3 343.430 3.864 20 30 EHEDHN CCCN(Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769328461 1133262712 /nfs/dbraw/zinc/26/27/12/1133262712.db2.gz IGVDHSHTKNLEAV-CQSZACIVSA-N 0 3 349.500 3.841 20 30 EHEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000772347287 1133677243 /nfs/dbraw/zinc/67/72/43/1133677243.db2.gz QGCJKAKIKQHRDC-MGPQQGTHSA-N 0 3 327.453 3.735 20 30 EHEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001182959797 1133751977 /nfs/dbraw/zinc/75/19/77/1133751977.db2.gz UFYQVAGSWAWRBC-XLIONFOSSA-N 0 3 347.462 3.568 20 30 EHEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001182959796 1133752028 /nfs/dbraw/zinc/75/20/28/1133752028.db2.gz UFYQVAGSWAWRBC-PXNSSMCTSA-N 0 3 347.462 3.568 20 30 EHEDHN COc1ccc(C(C)=NOCc2cccnc2)cc1CN1CCCC1 ZINC000746576552 1133835798 /nfs/dbraw/zinc/83/57/98/1133835798.db2.gz KWZGHOWOYCTIDJ-UHFFFAOYSA-N 0 3 339.439 3.627 20 30 EHEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786565255 1133874504 /nfs/dbraw/zinc/87/45/04/1133874504.db2.gz QESISKLHAIOUQS-WFASDCNBSA-N 0 3 348.393 3.506 20 30 EHEDHN CCCCCCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786572229 1133875337 /nfs/dbraw/zinc/87/53/37/1133875337.db2.gz WFIRSOYZKNODTQ-CQSZACIVSA-N 0 3 336.382 3.650 20 30 EHEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C(C)(C)C1 ZINC000746678381 1133996033 /nfs/dbraw/zinc/99/60/33/1133996033.db2.gz RCDFFOBEOXHMEC-STQMWFEESA-N 0 3 327.453 3.593 20 30 EHEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NN[C@@H](CO)c1ccccc1 ZINC000788457305 1134126959 /nfs/dbraw/zinc/12/69/59/1134126959.db2.gz JGFBKRQTTDQQAJ-GGZMAHMTSA-N 0 3 335.451 3.607 20 30 EHEDHN CC(C)[C@H](NCc1ccc(F)cc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000788830255 1134177828 /nfs/dbraw/zinc/17/78/28/1134177828.db2.gz BONIFKXUQOZTGR-RYUDHWBXSA-N 0 3 347.274 3.882 20 30 EHEDHN CCN1CCN(c2cccc(Nc3cc(C)cc(F)c3C#N)c2)CC1 ZINC001186196060 1134181160 /nfs/dbraw/zinc/18/11/60/1134181160.db2.gz VJMGSABAWGYUFJ-UHFFFAOYSA-N 0 3 338.430 3.891 20 30 EHEDHN N#Cc1cccc(CN2CCC(COc3ccc(Cl)nc3)CC2)c1 ZINC000789309358 1134251975 /nfs/dbraw/zinc/25/19/75/1134251975.db2.gz AUFHTLJYAHDBAO-UHFFFAOYSA-N 0 3 341.842 3.898 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccc(C)o2)cc1 ZINC000775227012 1134548351 /nfs/dbraw/zinc/54/83/51/1134548351.db2.gz MDDBTAOGCSFTCZ-ACJLOTCBSA-N 0 3 338.407 3.992 20 30 EHEDHN C#CCC1(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CCCCC1 ZINC000791717304 1134594407 /nfs/dbraw/zinc/59/44/07/1134594407.db2.gz YGTUVNWXWJVJGM-MJGOQNOKSA-N 0 3 326.484 3.768 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)NC(c1ccccc1)c1ccccc1 ZINC001189550313 1134597146 /nfs/dbraw/zinc/59/71/46/1134597146.db2.gz VQIPQGFGECHQEK-FQEVSTJZSA-N 0 3 349.478 3.726 20 30 EHEDHN N#CC(C(=O)C[C@H]1CSCCS1)c1ccc2ccccc2n1 ZINC000752473338 1134850058 /nfs/dbraw/zinc/85/00/58/1134850058.db2.gz FZZFNJXQOFAGOL-UONOGXRCSA-N 0 3 328.462 3.650 20 30 EHEDHN CCOC(=O)C(C#N)NC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC001191655096 1134900482 /nfs/dbraw/zinc/90/04/82/1134900482.db2.gz LABUEVRHLAMUNH-OAHLLOKOSA-N 0 3 331.416 3.510 20 30 EHEDHN N#CC1(c2ccccc2)CC(NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000158447419 1135067486 /nfs/dbraw/zinc/06/74/86/1135067486.db2.gz ILCXWCXRNHMVFV-OBXNSHGQSA-N 0 3 335.451 3.630 20 30 EHEDHN C#CCCCCC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000805308675 1135254469 /nfs/dbraw/zinc/25/44/69/1135254469.db2.gz HQUKEIDAHGQJKW-HXUWFJFHSA-N 0 3 328.500 3.798 20 30 EHEDHN C#CC[C@H](NC(=O)N(CCC)CCN1CCCCC1)c1ccccc1 ZINC000807029500 1135514106 /nfs/dbraw/zinc/51/41/06/1135514106.db2.gz FKIRHGGJFOFXOO-FQEVSTJZSA-N 0 3 341.499 3.659 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H](CC)c1ccccc1OCC ZINC001196329755 1135546725 /nfs/dbraw/zinc/54/67/25/1135546725.db2.gz QOEIMTRZIHFMSP-ZIFCJYIRSA-N 0 3 342.483 3.836 20 30 EHEDHN C=CC[C@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC001196443024 1135557614 /nfs/dbraw/zinc/55/76/14/1135557614.db2.gz SWXMQDTZUWBADJ-LAUBAEHRSA-N 0 3 326.484 3.932 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCCC[C@H](C)C2)cc1C ZINC000775729808 1135582102 /nfs/dbraw/zinc/58/21/02/1135582102.db2.gz TUAOKQRXJDZDLE-INIZCTEOSA-N 0 3 327.472 3.672 20 30 EHEDHN COc1cccc(CN2CCN(CCCCC3(C#N)CCC3)CC2)c1 ZINC001197078319 1135647372 /nfs/dbraw/zinc/64/73/72/1135647372.db2.gz VFRRLFYJABWJHU-UHFFFAOYSA-N 0 3 341.499 3.677 20 30 EHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000808432282 1135675049 /nfs/dbraw/zinc/67/50/49/1135675049.db2.gz YXFQZGPXXNCVGW-MRXNPFEDSA-N 0 3 339.435 3.875 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C)CC2(C)C)cc1C ZINC000747532333 1135750958 /nfs/dbraw/zinc/75/09/58/1135750958.db2.gz WRIRKOQLFMGMJL-HNNXBMFYSA-N 0 3 327.472 3.671 20 30 EHEDHN Cc1cc(Br)cc(C[NH2+]Cc2ccc(C#N)cc2)c1[O-] ZINC000776017914 1135922305 /nfs/dbraw/zinc/92/23/05/1135922305.db2.gz CAMGWORCKCKHRY-UHFFFAOYSA-N 0 3 331.213 3.625 20 30 EHEDHN N#Cc1ccc(CNC[C@H](O)c2ccccc2F)c(C(F)(F)F)c1 ZINC000810134757 1135926230 /nfs/dbraw/zinc/92/62/30/1135926230.db2.gz WGYOEZCXBVYWTF-INIZCTEOSA-N 0 3 338.304 3.539 20 30 EHEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810164650 1135933909 /nfs/dbraw/zinc/93/39/09/1135933909.db2.gz LJXFPJQVHOZBOB-FOIQADDNSA-N 0 3 343.471 3.541 20 30 EHEDHN CC(C)=CCC[C@H](C)CCN1CCN(c2cc(C#N)ccn2)CC1 ZINC001201979996 1136075964 /nfs/dbraw/zinc/07/59/64/1136075964.db2.gz APTSHXOTXXDDLN-SFHVURJKSA-N 0 3 326.488 3.848 20 30 EHEDHN N=C(N[C@H]1CCc2cc(F)cc(F)c2C1)c1ccc2ccccc2n1 ZINC001170671184 1136185214 /nfs/dbraw/zinc/18/52/14/1136185214.db2.gz WTRFDFDQAORIHO-HNNXBMFYSA-N 0 3 337.373 3.776 20 30 EHEDHN N#CC1(c2ccc(CNCc3ccc(C4OCCO4)cc3)cc2)CC1 ZINC000850134818 1136213377 /nfs/dbraw/zinc/21/33/77/1136213377.db2.gz GNUSTDBKJNBFKA-UHFFFAOYSA-N 0 3 334.419 3.577 20 30 EHEDHN C#C[C@@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000812792957 1136251279 /nfs/dbraw/zinc/25/12/79/1136251279.db2.gz LRQBAVWGQUONME-GOSISDBHSA-N 0 3 346.446 3.737 20 30 EHEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1cc(Br)ncc1F ZINC000850487946 1136269623 /nfs/dbraw/zinc/26/96/23/1136269623.db2.gz KLNKVLSBDGGGCY-LLVKDONJSA-N 0 3 348.219 3.748 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cc(SC)oc2C)cc1 ZINC000850759462 1136301410 /nfs/dbraw/zinc/30/14/10/1136301410.db2.gz JGKJQRSVFQNSDX-HNNXBMFYSA-N 0 3 342.420 3.834 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000850978472 1136324846 /nfs/dbraw/zinc/32/48/46/1136324846.db2.gz SUVXPYYRBGNQGS-OKZBNKHCSA-N 0 3 338.451 3.570 20 30 EHEDHN C[C@H](CC(C)(C)C#N)OC(=O)C1CCN(c2ccc(Cl)cc2)C1=O ZINC000851210748 1136352259 /nfs/dbraw/zinc/35/22/59/1136352259.db2.gz UUYOOQKNABEHIU-DOMZBBRYSA-N 0 3 348.830 3.564 20 30 EHEDHN N#Cc1ccnc(N[C@@H](Cc2ccccc2)CN2CCCC2)c1Cl ZINC001170754077 1136483253 /nfs/dbraw/zinc/48/32/53/1136483253.db2.gz SLWHLHPYHPKUCN-KRWDZBQOSA-N 0 3 340.858 3.726 20 30 EHEDHN CN(CC1CCN(C(=O)OCc2ccccc2)CC1)CC(C)(C)C#N ZINC000814669178 1136492139 /nfs/dbraw/zinc/49/21/39/1136492139.db2.gz HJIHFCCHQWNPJQ-UHFFFAOYSA-N 0 3 343.471 3.517 20 30 EHEDHN N#CCC[C@H](C#N)CNC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000815219384 1136567157 /nfs/dbraw/zinc/56/71/57/1136567157.db2.gz ZXPBVYYRSWBSNB-CQSZACIVSA-N 0 3 349.837 3.604 20 30 EHEDHN N#CCN1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815578366 1136613525 /nfs/dbraw/zinc/61/35/25/1136613525.db2.gz MYLDPSPSABITAP-NRFANRHFSA-N 0 3 349.478 3.644 20 30 EHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C(F)=C1CCCC1 ZINC000815908774 1136646773 /nfs/dbraw/zinc/64/67/73/1136646773.db2.gz IVJQDYWMJGZMFG-CYBMUJFWSA-N 0 3 330.359 3.530 20 30 EHEDHN C=CCc1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c([O-])c(OC)c1 ZINC000776769542 1136659358 /nfs/dbraw/zinc/65/93/58/1136659358.db2.gz GUSKEHONLBXIOS-SFHVURJKSA-N 0 3 331.456 3.520 20 30 EHEDHN C=CCc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c([O-])c(OC)c1 ZINC000776769542 1136659360 /nfs/dbraw/zinc/65/93/60/1136659360.db2.gz GUSKEHONLBXIOS-SFHVURJKSA-N 0 3 331.456 3.520 20 30 EHEDHN Cc1ccc([C@H](O)CNCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000818946817 1136894176 /nfs/dbraw/zinc/89/41/76/1136894176.db2.gz XAXKYBMSFPYRLZ-GOSISDBHSA-N 0 3 333.353 3.689 20 30 EHEDHN CC1(C)C[C@@H](NC[C@@H](O)c2ccc(C#N)cc2)c2ccc(F)cc2O1 ZINC000819174204 1136919579 /nfs/dbraw/zinc/91/95/79/1136919579.db2.gz RHKBWAQAJQOXDF-QZTJIDSGSA-N 0 3 340.398 3.623 20 30 EHEDHN Cc1cc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccc1C#N ZINC000858016797 1136932340 /nfs/dbraw/zinc/93/23/40/1136932340.db2.gz IKNGMYLMTRFVSB-HXUWFJFHSA-N 0 3 333.435 3.792 20 30 EHEDHN Cc1ccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)cc1C#N ZINC000859256027 1137009742 /nfs/dbraw/zinc/00/97/42/1137009742.db2.gz UENWLUDXHXXCHJ-UHFFFAOYSA-N 0 3 338.426 3.575 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC000860463648 1137061528 /nfs/dbraw/zinc/06/15/28/1137061528.db2.gz FJRWDVKSEWGZTC-KSZLIROESA-N 0 3 326.440 3.504 20 30 EHEDHN COC(=O)c1ccc(C(=N)Nc2ccc(OC(C)C)cc2C)cc1 ZINC001170988893 1137063041 /nfs/dbraw/zinc/06/30/41/1137063041.db2.gz GMKYVJPTHZWDOU-UHFFFAOYSA-N 0 3 326.396 3.606 20 30 EHEDHN Cn1cnc(C=NNc2c(Cl)cc(Br)cc2Cl)c1 ZINC000794516285 1137185269 /nfs/dbraw/zinc/18/52/69/1137185269.db2.gz SJKBLVXVMZKVOV-UHFFFAOYSA-N 0 3 348.031 3.935 20 30 EHEDHN N#Cc1cccc(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000844370636 1137213316 /nfs/dbraw/zinc/21/33/16/1137213316.db2.gz IHSQRMZVDFJYCL-LJQANCHMSA-N 0 3 326.827 3.695 20 30 EHEDHN CC[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000865291239 1137274875 /nfs/dbraw/zinc/27/48/75/1137274875.db2.gz UTVXBAQCUAMOMM-UONOGXRCSA-N 0 3 327.453 3.737 20 30 EHEDHN N=C(Nc1cc(N2CCCCC2)ccn1)c1ccc2cc(O)ccc2c1 ZINC001171184795 1137294212 /nfs/dbraw/zinc/29/42/12/1137294212.db2.gz AYUSWYKBIOYWKF-UHFFFAOYSA-N 0 3 346.434 3.968 20 30 EHEDHN CC(C)(C)N1CC[C@H]1COC(=O)CCCCOc1cccc(C#N)c1 ZINC000845741108 1137308069 /nfs/dbraw/zinc/30/80/69/1137308069.db2.gz RJCUSOUVZMHXMU-KRWDZBQOSA-N 0 3 344.455 3.523 20 30 EHEDHN CC(C)(CCC#N)CNCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000865804130 1137312786 /nfs/dbraw/zinc/31/27/86/1137312786.db2.gz PUQCCJISGYBAQF-UHFFFAOYSA-N 0 3 328.382 3.658 20 30 EHEDHN COc1cccc(-c2nc(CN[C@@H](C)Cc3cccc(C#N)c3)co2)c1 ZINC001171202517 1137320036 /nfs/dbraw/zinc/32/00/36/1137320036.db2.gz ZGDLXUPCBMTUKB-HNNXBMFYSA-N 0 3 347.418 3.943 20 30 EHEDHN CN1c2ccc(CNC3(c4ccc(C#N)cc4)CCC3)cc2CCC1=O ZINC000847057278 1137385309 /nfs/dbraw/zinc/38/53/09/1137385309.db2.gz IDQVDYWQZCCSFU-UHFFFAOYSA-N 0 3 345.446 3.636 20 30 EHEDHN N=C(N[C@@H]1CCc2c(F)cc(F)cc2C1)c1ccc2ccccc2n1 ZINC001171347860 1137456206 /nfs/dbraw/zinc/45/62/06/1137456206.db2.gz AWWHMZYIGWDQSO-OAHLLOKOSA-N 0 3 337.373 3.776 20 30 EHEDHN C=CCc1cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([O-])c(OC)c1 ZINC000773257342 1137482054 /nfs/dbraw/zinc/48/20/54/1137482054.db2.gz DCSWNVQFHPPHAT-ROUUACIJSA-N 0 3 345.483 3.768 20 30 EHEDHN C=CCc1cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([O-])c(OC)c1 ZINC000773257342 1137482055 /nfs/dbraw/zinc/48/20/55/1137482055.db2.gz DCSWNVQFHPPHAT-ROUUACIJSA-N 0 3 345.483 3.768 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CC2)C[C@@H]1C(C)(C)C ZINC001171590945 1137497158 /nfs/dbraw/zinc/49/71/58/1137497158.db2.gz SLNUWNMDRKBIPW-LSDHHAIUSA-N 0 3 335.492 3.694 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CC(CC#N)C2)C[C@H]1C(C)(C)C ZINC001171599653 1137500097 /nfs/dbraw/zinc/50/00/97/1137500097.db2.gz CWDUUCZXMDCYOB-HOTGVXAUSA-N 0 3 335.492 3.646 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CCC2)CC12CCC2 ZINC001171829930 1137512083 /nfs/dbraw/zinc/51/20/83/1137512083.db2.gz OYAYKEMUPYNRFT-OAHLLOKOSA-N 0 3 333.476 3.592 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(Cc2ccccc2Cl)CC1 ZINC000870980430 1137517076 /nfs/dbraw/zinc/51/70/76/1137517076.db2.gz SPYJHWBBFGXJQJ-GOSISDBHSA-N 0 3 347.890 3.532 20 30 EHEDHN C[C@@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172053319 1137528487 /nfs/dbraw/zinc/52/84/87/1137528487.db2.gz MHRKWTUEHTZIPO-JKSUJKDBSA-N 0 3 335.492 3.981 20 30 EHEDHN C#CCN(CC#C)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172060779 1137528775 /nfs/dbraw/zinc/52/87/75/1137528775.db2.gz HANGRAIDILTMFQ-GOSISDBHSA-N 0 3 344.499 3.657 20 30 EHEDHN C[C@H](c1ccccc1)N1CCN([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319112 1137546919 /nfs/dbraw/zinc/54/69/19/1137546919.db2.gz LIGWCQJARCMNFK-RBUKOAKNSA-N 0 3 333.479 3.868 20 30 EHEDHN COc1cc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)cc(Cl)c1[O-] ZINC001172300021 1137549046 /nfs/dbraw/zinc/54/90/46/1137549046.db2.gz QZAVHQJPGZHUKR-GFCCVEGCSA-N 0 3 330.815 3.647 20 30 EHEDHN CCCCCCC[C@H](CC)N1CCN(C(=O)c2ccncc2)CC1 ZINC001172357036 1137554176 /nfs/dbraw/zinc/55/41/76/1137554176.db2.gz AQGFAAVBTVMORG-IBGZPJMESA-N 0 3 331.504 3.979 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@](C)(O)c2cc(C)oc2C)c([O-])c1 ZINC000125140785 1137622090 /nfs/dbraw/zinc/62/20/90/1137622090.db2.gz HSULNFWIQOIYHH-JLDPKJTDSA-N 0 3 344.455 3.775 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000876553586 1137655242 /nfs/dbraw/zinc/65/52/42/1137655242.db2.gz UJHKEMCUELVKHG-CYBMUJFWSA-N 0 3 335.860 3.835 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000876587767 1137656313 /nfs/dbraw/zinc/65/63/13/1137656313.db2.gz VIGOLOAIEZBLPG-QAPCUYQASA-N 0 3 342.870 3.793 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000876687560 1137659055 /nfs/dbraw/zinc/65/90/55/1137659055.db2.gz KVZXZAQPTXMIRC-HUBLWGQQSA-N 0 3 329.271 3.760 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000876694502 1137659274 /nfs/dbraw/zinc/65/92/74/1137659274.db2.gz JTWOHMIJMMDTOW-ZDUSSCGKSA-N 0 3 335.662 3.512 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000877146145 1137671600 /nfs/dbraw/zinc/67/16/00/1137671600.db2.gz SYGXPMHGUXBZGT-CQSZACIVSA-N 0 3 346.780 3.918 20 30 EHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877363843 1137674884 /nfs/dbraw/zinc/67/48/84/1137674884.db2.gz ILPJPNUELISYPY-VQHPVUNQSA-N 0 3 335.492 3.836 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H](NCC3(C#N)CCC3)CC[C@H]21 ZINC000877594009 1137682340 /nfs/dbraw/zinc/68/23/40/1137682340.db2.gz MJAFDGTVFBZBTH-BRWVUGGUSA-N 0 3 347.503 3.838 20 30 EHEDHN COc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000877667029 1137685104 /nfs/dbraw/zinc/68/51/04/1137685104.db2.gz KECOVMUNPQUMFD-UHFFFAOYSA-N 0 3 339.414 3.782 20 30 EHEDHN C#C[C@H]1CC[C@H](NCc2nc(Cl)ccc2Br)CC1 ZINC000877833077 1137692752 /nfs/dbraw/zinc/69/27/52/1137692752.db2.gz CXLPWSIXQOZVQG-XYPYZODXSA-N 0 3 327.653 3.779 20 30 EHEDHN CCCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)C[C@@H]1CCCCO1 ZINC000878238828 1137708279 /nfs/dbraw/zinc/70/82/79/1137708279.db2.gz FKILOFVZDKBESV-LEWJYISDSA-N 0 3 342.483 3.708 20 30 EHEDHN OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(F)cc1 ZINC000878277415 1137709517 /nfs/dbraw/zinc/70/95/17/1137709517.db2.gz OYUVXFHXCLCFHG-CBQGHPETSA-N 0 3 335.422 3.692 20 30 EHEDHN C=CCCC[C@@H](NCC(=O)Nc1c(C)nn(C)c1C)c1ccccc1 ZINC000880388780 1137777673 /nfs/dbraw/zinc/77/76/73/1137777673.db2.gz OSEOTMJLIIFMFT-GOSISDBHSA-N 0 3 340.471 3.663 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC2CCCCC2)cc1 ZINC000114618297 1137788398 /nfs/dbraw/zinc/78/83/98/1137788398.db2.gz LBNFPYQNJLZESG-RDTXWAMCSA-N 0 3 342.439 3.949 20 30 EHEDHN Cn1nc2c(c1CN[C@H](CCCC#N)c1ccccc1)CSCC2 ZINC000883130853 1137845854 /nfs/dbraw/zinc/84/58/54/1137845854.db2.gz VNXOFGHSCVOHHB-QGZVFWFLSA-N 0 3 340.496 3.734 20 30 EHEDHN N#Cc1cccc(C2(NCc3cccc(Cl)c3N)CCOCC2)c1 ZINC000883175835 1137847237 /nfs/dbraw/zinc/84/72/37/1137847237.db2.gz QCVIKZQZCAYHMD-UHFFFAOYSA-N 0 3 341.842 3.589 20 30 EHEDHN C=CCCC[C@H](NCc1ccc(C(=O)N(C)C)[nH]1)c1ccccc1 ZINC000883324708 1137854865 /nfs/dbraw/zinc/85/48/65/1137854865.db2.gz AXADABFHGQIRCM-SFHVURJKSA-N 0 3 325.456 3.904 20 30 EHEDHN N#Cc1ccc(N2CCC(NCc3cc(O)ccc3Cl)CC2)cc1 ZINC000883325245 1137854877 /nfs/dbraw/zinc/85/48/77/1137854877.db2.gz UUDUJRMELVIPNK-UHFFFAOYSA-N 0 3 341.842 3.676 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3ccccc3OC)c2)CC1 ZINC000110926449 1137903292 /nfs/dbraw/zinc/90/32/92/1137903292.db2.gz HJYBWKVGLSXHIX-UHFFFAOYSA-N 0 3 348.446 3.646 20 30 EHEDHN CC1(C#N)CCN(CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000332693722 1137951264 /nfs/dbraw/zinc/95/12/64/1137951264.db2.gz RHOUILWAEQANEJ-UHFFFAOYSA-N 0 3 330.819 3.558 20 30 EHEDHN CCCCCC[C@@H](CC)CN(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884417293 1137959473 /nfs/dbraw/zinc/95/94/73/1137959473.db2.gz CUZWNLFCASBLDZ-BHASAWDCSA-N 0 3 333.520 3.581 20 30 EHEDHN COc1cccc(C=C2CCN(C[C@@H](O)CC3(C#N)CCC3)CC2)c1 ZINC000886040733 1138034292 /nfs/dbraw/zinc/03/42/92/1138034292.db2.gz CBPHEUXYNJVOIG-IBGZPJMESA-N 0 3 340.467 3.619 20 30 EHEDHN C#CCC1(NCc2cc(Cl)c(OC)cc2Cl)CCOCC1 ZINC000886378869 1138072477 /nfs/dbraw/zinc/07/24/77/1138072477.db2.gz DVHIJQRZLBLMMB-UHFFFAOYSA-N 0 3 328.239 3.664 20 30 EHEDHN C#CCC1(NCc2cccc(Cl)c2Br)CCOCC1 ZINC000886379163 1138072594 /nfs/dbraw/zinc/07/25/94/1138072594.db2.gz QKNTWOOWPQNJBN-UHFFFAOYSA-N 0 3 342.664 3.765 20 30 EHEDHN C=C[C@H](CC(=O)N(CCN(C)C)Cc1ccco1)c1ccccc1 ZINC000125657545 1138313726 /nfs/dbraw/zinc/31/37/26/1138313726.db2.gz GXLUYCDTKUASNF-QGZVFWFLSA-N 0 3 326.440 3.530 20 30 EHEDHN N#CCOc1ccc(CN2CCC(OCc3ccccc3)CC2)cc1 ZINC000264121866 1138423792 /nfs/dbraw/zinc/42/37/92/1138423792.db2.gz KUNYHVBJBOTLBY-UHFFFAOYSA-N 0 3 336.435 3.770 20 30 EHEDHN C=C(C)COc1cccc(NC(=O)NC2CCN(CC(=C)C)CC2)c1 ZINC000264423854 1138510037 /nfs/dbraw/zinc/51/00/37/1138510037.db2.gz VEGOLMCQHPWYPM-UHFFFAOYSA-N 0 3 343.471 3.804 20 30 EHEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000264979003 1138692730 /nfs/dbraw/zinc/69/27/30/1138692730.db2.gz TVHZTLCELVAWFF-MRXNPFEDSA-N 0 3 348.446 3.824 20 30 EHEDHN CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000177779357 1139640932 /nfs/dbraw/zinc/64/09/32/1139640932.db2.gz QMPRQWKWBJNQLB-UHFFFAOYSA-N 0 3 348.450 3.687 20 30 EHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000178177590 1139677263 /nfs/dbraw/zinc/67/72/63/1139677263.db2.gz LQZAKNUAOPEZTI-LSDHHAIUSA-N 0 3 335.407 3.927 20 30 EHEDHN N#Cc1ccc(-c2nnc(CN[C@H](Cc3ccccc3)C3CC3)o2)cc1 ZINC000181549391 1139915033 /nfs/dbraw/zinc/91/50/33/1139915033.db2.gz UYOFXVYLOOYJFR-LJQANCHMSA-N 0 3 344.418 3.719 20 30 EHEDHN C[C@H](NCc1ccc2c(c1)OCCCO2)c1ccc(OCC#N)cc1 ZINC000181670575 1139923575 /nfs/dbraw/zinc/92/35/75/1139923575.db2.gz LKXZIEIWSNJOLM-HNNXBMFYSA-N 0 3 338.407 3.601 20 30 EHEDHN COCc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccc1F ZINC000181777115 1139929995 /nfs/dbraw/zinc/92/99/95/1139929995.db2.gz IPJDDEMTBHELKX-AWEZNQCLSA-N 0 3 328.387 3.725 20 30 EHEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cccc(F)c1F ZINC000181999776 1139944569 /nfs/dbraw/zinc/94/45/69/1139944569.db2.gz DZBFKFAWWXBPFI-GFCCVEGCSA-N 0 3 332.350 3.575 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1cc2ccccc2s1 ZINC000184383292 1140099660 /nfs/dbraw/zinc/09/96/60/1140099660.db2.gz YVYWWKHZCTWDDC-UONOGXRCSA-N 0 3 329.469 3.560 20 30 EHEDHN C#CCOc1ccccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000187218643 1140244770 /nfs/dbraw/zinc/24/47/70/1140244770.db2.gz RWZSZUCRPCYVAG-UHFFFAOYSA-N 0 3 334.419 3.547 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000187710468 1140268583 /nfs/dbraw/zinc/26/85/83/1140268583.db2.gz YKZVTKBCDNIUJO-JXFKEZNVSA-N 0 3 328.456 3.669 20 30 EHEDHN CCc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190633106 1140412616 /nfs/dbraw/zinc/41/26/16/1140412616.db2.gz WUPJCXFCJQODSI-IERDGZPVSA-N 0 3 347.462 3.572 20 30 EHEDHN COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C2CC2)cc1 ZINC000193347897 1140572734 /nfs/dbraw/zinc/57/27/34/1140572734.db2.gz LTOSFGXKOVFRAJ-XOBRGWDASA-N 0 3 349.434 3.635 20 30 EHEDHN C[C@H]([NH2+]CCCCC#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824585502 946833950 /nfs/dbraw/zinc/83/39/50/946833950.db2.gz RVDWTFPSRZDMTE-HNNXBMFYSA-N 0 3 346.438 3.878 20 30 EHEDHN C[C@H]([NH2+]CCCCC#N)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824585502 946833956 /nfs/dbraw/zinc/83/39/56/946833956.db2.gz RVDWTFPSRZDMTE-HNNXBMFYSA-N 0 3 346.438 3.878 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000459396305 1032062724 /nfs/dbraw/zinc/06/27/24/1032062724.db2.gz WGCYOJKJBGLYCC-UHFFFAOYSA-N 0 3 342.468 3.524 20 30 EHEDHN C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000274694588 1014555254 /nfs/dbraw/zinc/55/52/54/1014555254.db2.gz MFPSDUSCNUVSRI-DNVCBOLYSA-N 0 3 336.439 3.566 20 30 EHEDHN COc1cccc([C@H](CNc2c(C#N)cnc3ccccc32)N(C)C)c1 ZINC000097393458 1015019859 /nfs/dbraw/zinc/01/98/59/1015019859.db2.gz OHABMYIIMHZFND-FQEVSTJZSA-N 0 3 346.434 3.830 20 30 EHEDHN Cc1nsc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000342822943 1015425722 /nfs/dbraw/zinc/42/57/22/1015425722.db2.gz GGSZCSSAPIRTRH-SUMWQHHRSA-N 0 3 326.469 3.646 20 30 EHEDHN C[C@H]1[C@H](Nc2nc(Cl)c(C#N)s2)CCN1Cc1ccccc1 ZINC000306728338 1015578327 /nfs/dbraw/zinc/57/83/27/1015578327.db2.gz NNITWPLCMODESA-WCQYABFASA-N 0 3 332.860 3.743 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CCC4(CCC4)CO3)nc21 ZINC000892706617 1016980541 /nfs/dbraw/zinc/98/05/41/1016980541.db2.gz VRTJBHYGQNOAED-HUUCEWRRSA-N 0 3 337.423 3.787 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CCC4(CCC4)CO3)nc21 ZINC000892706615 1016980612 /nfs/dbraw/zinc/98/06/12/1016980612.db2.gz VRTJBHYGQNOAED-CABCVRRESA-N 0 3 337.423 3.787 20 30 EHEDHN Cc1ccc(CN(CCC(=O)Nc2sccc2C#N)C2CC2)o1 ZINC000052994008 1032157908 /nfs/dbraw/zinc/15/79/08/1032157908.db2.gz TYASLEHXKPHQDT-UHFFFAOYSA-N 0 3 329.425 3.514 20 30 EHEDHN C=CC[C@@H](CC)[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459542948 1032259381 /nfs/dbraw/zinc/25/93/81/1032259381.db2.gz OWMUINKSNQTBMI-GFCCVEGCSA-N 0 3 328.250 3.998 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000537069025 1032506030 /nfs/dbraw/zinc/50/60/30/1032506030.db2.gz AUCYGEQAWUFJEJ-XLIONFOSSA-N 0 3 347.478 3.947 20 30 EHEDHN CCC(CC)[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000537077674 1032508300 /nfs/dbraw/zinc/50/83/00/1032508300.db2.gz BSXWTSQHSRZYCR-JOCHJYFZSA-N 0 3 349.478 3.942 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NCCC)c1ccc(C(F)(F)F)cc1 ZINC000537131855 1032530968 /nfs/dbraw/zinc/53/09/68/1032530968.db2.gz DUUNMKJZSKOMCD-OAHLLOKOSA-N 0 3 328.378 3.829 20 30 EHEDHN N#CC(C(=O)c1ccc2c(c1)CCO2)c1nc2cc(F)ccc2s1 ZINC000592973828 1032619539 /nfs/dbraw/zinc/61/95/39/1032619539.db2.gz ISVBBAZILILMRI-ZDUSSCGKSA-N 0 3 338.363 3.860 20 30 EHEDHN N#Cc1ccc(NC(=O)CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1 ZINC000549157616 1017425506 /nfs/dbraw/zinc/42/55/06/1017425506.db2.gz FSCMDAGVZWIHOE-NUZGMZIFSA-N 0 3 345.446 3.907 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Br)cc1SC ZINC000449517949 1032708464 /nfs/dbraw/zinc/70/84/64/1032708464.db2.gz IEJWJDVBJBHGQJ-OLZOCXBDSA-N 0 3 328.275 3.604 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000594004989 1032757387 /nfs/dbraw/zinc/75/73/87/1032757387.db2.gz RULFQDOZHZERII-LLGFUMIMSA-N 0 3 349.478 3.544 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419356520 1018808153 /nfs/dbraw/zinc/80/81/53/1018808153.db2.gz OJOOBSSTQCEPOC-AVYPCKFXSA-N 0 3 327.472 3.658 20 30 EHEDHN C=CC(C)(C)CNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000656172578 1018947263 /nfs/dbraw/zinc/94/72/63/1018947263.db2.gz WSWOILFYJZTFOR-QGZVFWFLSA-N 0 3 329.488 3.505 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000614397400 1018962382 /nfs/dbraw/zinc/96/23/82/1018962382.db2.gz PPNVVRXLOGBUEY-UHFFFAOYSA-N 0 3 331.419 3.782 20 30 EHEDHN COc1cc(C#N)ccc1OCCN([C@H](C)c1ccco1)C1CC1 ZINC000086233063 1019084270 /nfs/dbraw/zinc/08/42/70/1019084270.db2.gz WSODQKYONSPYJR-CQSZACIVSA-N 0 3 326.396 3.764 20 30 EHEDHN CN(Cc1cc(C#N)cs1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000091932937 1019101677 /nfs/dbraw/zinc/10/16/77/1019101677.db2.gz VDMOQGUQCGDWTK-SFHVURJKSA-N 0 3 325.481 3.716 20 30 EHEDHN N#CC(C(=O)c1cc(F)cc2nccnc21)c1ccc2ccccc2n1 ZINC000614467906 1019336554 /nfs/dbraw/zinc/33/65/54/1019336554.db2.gz GNCLTWFSFINBDT-OAHLLOKOSA-N 0 3 342.333 3.807 20 30 EHEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000182646477 1019732097 /nfs/dbraw/zinc/73/20/97/1019732097.db2.gz SGWDYEAMEOQVMM-AWEZNQCLSA-N 0 3 333.391 3.984 20 30 EHEDHN Cn1ncc(C2CCC2)c1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000897588825 1032858568 /nfs/dbraw/zinc/85/85/68/1032858568.db2.gz NXSMVELHFNFLEA-UHFFFAOYSA-N 0 3 334.467 3.939 20 30 EHEDHN Cc1noc2ncc(CN3CCC(c4ccc(C#N)cc4)CC3)cc12 ZINC000897589000 1032859245 /nfs/dbraw/zinc/85/92/45/1032859245.db2.gz PYOLNBSLFFHVIE-UHFFFAOYSA-N 0 3 332.407 3.783 20 30 EHEDHN COCCOc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)o1 ZINC000897588841 1032859295 /nfs/dbraw/zinc/85/92/95/1032859295.db2.gz OERWCFSHTIJBJO-UHFFFAOYSA-N 0 3 340.423 3.556 20 30 EHEDHN CC(C)(C)[C@H](COc1ccccc1F)NCc1ccc(C#N)cn1 ZINC000574288830 1032879874 /nfs/dbraw/zinc/87/98/74/1032879874.db2.gz VNZGIZZJZVWXAU-SFHVURJKSA-N 0 3 327.403 3.676 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1[C@@H](C)c1ccccc1 ZINC000760355111 1032886527 /nfs/dbraw/zinc/88/65/27/1032886527.db2.gz AIVHWULAAZGIJF-HNAYVOBHSA-N 0 3 344.418 3.994 20 30 EHEDHN C[C@@H](CCC#N)CN1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000602487033 1032916717 /nfs/dbraw/zinc/91/67/17/1032916717.db2.gz SGOSZWWMOLKMGO-DOTOQJQBSA-N 0 3 339.439 3.567 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)(CC(C)C)CC2)CC1 ZINC000581510720 1021030615 /nfs/dbraw/zinc/03/06/15/1021030615.db2.gz FRQLAUCTSWAGDL-UHFFFAOYSA-N 0 3 335.536 3.885 20 30 EHEDHN CN(CCc1ccc(C#N)cc1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001167468003 1021056583 /nfs/dbraw/zinc/05/65/83/1021056583.db2.gz OFKQZKVUOWJUFP-NRFANRHFSA-N 0 3 348.425 3.695 20 30 EHEDHN CCCCCCCC(=O)N1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001270134525 1021284240 /nfs/dbraw/zinc/28/42/40/1021284240.db2.gz OCTKRQAEORUGEH-FQEVSTJZSA-N 0 3 346.519 3.585 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000602600321 1032996532 /nfs/dbraw/zinc/99/65/32/1032996532.db2.gz FRCGZTDRGHDYCV-MSOLQXFVSA-N 0 3 331.435 3.584 20 30 EHEDHN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000441358916 1022174559 /nfs/dbraw/zinc/17/45/59/1022174559.db2.gz OYGKXADPISKISE-LJQANCHMSA-N 0 3 341.499 3.591 20 30 EHEDHN CCCN1CCN(c2ccccc2CNc2cccc(CC#N)c2)CC1 ZINC000449691309 1033048492 /nfs/dbraw/zinc/04/84/92/1033048492.db2.gz VGHPGICPPBYUET-UHFFFAOYSA-N 0 3 348.494 3.897 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC1CC1 ZINC000112983053 1022369384 /nfs/dbraw/zinc/36/93/84/1022369384.db2.gz IFKCARDBNGKGGX-CQSZACIVSA-N 0 3 331.485 3.609 20 30 EHEDHN CC(C)(C)C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000341585839 1022414640 /nfs/dbraw/zinc/41/46/40/1022414640.db2.gz ASMOMFGEVJBLEN-XLIONFOSSA-N 0 3 327.472 3.562 20 30 EHEDHN COc1cc(C#N)ccc1OCCN([C@@H](C)c1ccco1)C1CC1 ZINC000086233061 1022503048 /nfs/dbraw/zinc/50/30/48/1022503048.db2.gz WSODQKYONSPYJR-AWEZNQCLSA-N 0 3 326.396 3.764 20 30 EHEDHN COc1cccc(C2=CCN(CCOc3cccc(C#N)c3)CC2)c1 ZINC000476268086 1033087022 /nfs/dbraw/zinc/08/70/22/1033087022.db2.gz DCLMRABCEHSEEO-UHFFFAOYSA-N 0 3 334.419 3.735 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000122161486 1022881929 /nfs/dbraw/zinc/88/19/29/1022881929.db2.gz IINXQEIUMFFEHR-HNNXBMFYSA-N 0 3 331.460 3.555 20 30 EHEDHN N#CCCN(C(=O)CN[C@@H](c1cccs1)C1CC1)c1ccccc1 ZINC000341842604 1023437149 /nfs/dbraw/zinc/43/71/49/1023437149.db2.gz KOKATVZGRKJNHM-LJQANCHMSA-N 0 3 339.464 3.736 20 30 EHEDHN N#CCC1(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 ZINC000602789461 1033161676 /nfs/dbraw/zinc/16/16/76/1033161676.db2.gz ZMRBUIOUAOQCBD-HNNXBMFYSA-N 0 3 340.402 3.749 20 30 EHEDHN CN(CCCc1cc(-c2ccccc2)no1)Cc1ccnc(C#N)c1 ZINC000610992185 1023989852 /nfs/dbraw/zinc/98/98/52/1023989852.db2.gz JNPSIJDOEYHTNN-UHFFFAOYSA-N 0 3 332.407 3.673 20 30 EHEDHN COc1cc(CN[C@H](c2cccs2)C2(CO)CCC2)ccc1C#N ZINC000449770182 1033183612 /nfs/dbraw/zinc/18/36/12/1033183612.db2.gz WBVXMEQJGWGTAJ-GOSISDBHSA-N 0 3 342.464 3.622 20 30 EHEDHN C=C(C)COc1cc(CN2CCC(CC)(CO)CC2)ccc1OC ZINC000093592550 1024127270 /nfs/dbraw/zinc/12/72/70/1024127270.db2.gz IIVSXBQIAKDBOU-UHFFFAOYSA-N 0 3 333.472 3.635 20 30 EHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000329772467 1024190081 /nfs/dbraw/zinc/19/00/81/1024190081.db2.gz HLWVGWFVYZVPEK-MWDXBVQZSA-N 0 3 332.492 3.821 20 30 EHEDHN N#Cc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)cc1F ZINC000434687211 1024299588 /nfs/dbraw/zinc/29/95/88/1024299588.db2.gz CKURVRIRQPAIAF-UHFFFAOYSA-N 0 3 338.430 3.610 20 30 EHEDHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000330116977 1024325146 /nfs/dbraw/zinc/32/51/46/1024325146.db2.gz WGNQWDTWQODJKE-ZIAGYGMSSA-N 0 3 327.428 3.543 20 30 EHEDHN C[C@@H]1CN(CCCOc2ccc3ccccc3c2)C[C@H](C)N1CC#N ZINC000602856074 1033211797 /nfs/dbraw/zinc/21/17/97/1033211797.db2.gz JVYQQIWWAUZITI-HDICACEKSA-N 0 3 337.467 3.527 20 30 EHEDHN CSC[C@@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438611578 1024584920 /nfs/dbraw/zinc/58/49/20/1024584920.db2.gz YXJOSKUWIXWHBB-AWEZNQCLSA-N 0 3 329.387 3.764 20 30 EHEDHN N#Cc1ccc(CN(CCOCCOc2ccccc2)C2CC2)cc1 ZINC000346465998 1024778290 /nfs/dbraw/zinc/77/82/90/1024778290.db2.gz HPNDTNREGHRKJA-UHFFFAOYSA-N 0 3 336.435 3.618 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@]2(NCc3csc(C#N)c3)CCC[C@@H]12 ZINC000895943267 1024999967 /nfs/dbraw/zinc/99/99/67/1024999967.db2.gz KEBXUVPBFDSRIT-CRAIPNDOSA-N 0 3 347.484 3.641 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000106319963 1025091106 /nfs/dbraw/zinc/09/11/06/1025091106.db2.gz UKIRINMMBQJVLL-UHFFFAOYSA-N 0 3 340.471 3.650 20 30 EHEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(NC(=O)c3ccc(F)cc3)c2)C1 ZINC000442720196 1025453357 /nfs/dbraw/zinc/45/33/57/1025453357.db2.gz SPOWBJHUUBRIJA-RDTXWAMCSA-N 0 3 337.398 3.860 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000425532446 1025659575 /nfs/dbraw/zinc/65/95/75/1025659575.db2.gz BSPHURISBCWZBB-KSSFIOAISA-N 0 3 344.842 3.644 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000425529468 1025666050 /nfs/dbraw/zinc/66/60/50/1025666050.db2.gz BVSYGQWVMKFAON-AWEZNQCLSA-N 0 3 325.368 3.538 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000187728505 1025759737 /nfs/dbraw/zinc/75/97/37/1025759737.db2.gz ZEMNEJFJDBQSSO-INIZCTEOSA-N 0 3 338.426 3.828 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCC2CCCCC2)c1 ZINC000127024215 1025811749 /nfs/dbraw/zinc/81/17/49/1025811749.db2.gz PJJMWDUNIZBQMI-KRWDZBQOSA-N 0 3 328.412 3.703 20 30 EHEDHN Cc1cc(C)nc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000329602425 1026059947 /nfs/dbraw/zinc/05/99/47/1026059947.db2.gz FVCLLCZXSMPXMI-SJLPKXTDSA-N 0 3 338.455 3.860 20 30 EHEDHN CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC(=O)N1 ZINC000329621990 1026095339 /nfs/dbraw/zinc/09/53/39/1026095339.db2.gz UNRNJNNPBBMHNS-KSZLIROESA-N 0 3 343.471 3.753 20 30 EHEDHN CN(CCC#N)C(=O)CCN1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000451733168 1026237530 /nfs/dbraw/zinc/23/75/30/1026237530.db2.gz HYRNMINJUBIFPN-QGZVFWFLSA-N 0 3 333.863 3.629 20 30 EHEDHN CC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccc1C ZINC000192769778 1026340886 /nfs/dbraw/zinc/34/08/86/1026340886.db2.gz YFOSSXDRSQWFGN-INIZCTEOSA-N 0 3 331.375 3.574 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000186308236 1026454365 /nfs/dbraw/zinc/45/43/65/1026454365.db2.gz OEHUPOXONIKQAK-QGZVFWFLSA-N 0 3 347.462 3.648 20 30 EHEDHN N#Cc1ccc(OC[C@@H](O)CN2CCCCC[C@@H]2c2ccco2)cc1 ZINC000121275159 1026590254 /nfs/dbraw/zinc/59/02/54/1026590254.db2.gz JTTRZUTVDOQZAS-PKOBYXMFSA-N 0 3 340.423 3.508 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000419838788 1027208252 /nfs/dbraw/zinc/20/82/52/1027208252.db2.gz OZOGWPXNKXEFBR-CYBMUJFWSA-N 0 3 329.425 3.695 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949594 1027912525 /nfs/dbraw/zinc/91/25/25/1027912525.db2.gz OVFJORBEJQPUTH-AWEZNQCLSA-N 0 3 342.361 3.610 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420943007 1027940211 /nfs/dbraw/zinc/94/02/11/1027940211.db2.gz HSXLPIFECZBKOS-NSHDSACASA-N 0 3 345.390 3.613 20 30 EHEDHN CCOc1ccc(CN2CCN(CCCCC(C)(C)C#N)CC2)cc1 ZINC000444583984 1028063559 /nfs/dbraw/zinc/06/35/59/1028063559.db2.gz QVBQXVHKDDWGBJ-UHFFFAOYSA-N 0 3 343.515 3.923 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000247252251 1028239266 /nfs/dbraw/zinc/23/92/66/1028239266.db2.gz QGCUQGOWXYASGL-RCCFBDPRSA-N 0 3 326.440 3.504 20 30 EHEDHN CC(C)[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000444766006 1028250306 /nfs/dbraw/zinc/25/03/06/1028250306.db2.gz GFBUOZYTUNNUND-ROUUACIJSA-N 0 3 327.472 3.690 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H](CCO)CC2)c(C(F)(F)F)c1 ZINC000421404922 1028391120 /nfs/dbraw/zinc/39/11/20/1028391120.db2.gz ZPWPOTVTNNDYMU-ZDUSSCGKSA-N 0 3 326.362 3.562 20 30 EHEDHN C=CCc1cc(CNCc2ccc3[nH]cnc3c2)cc(OC)c1OC ZINC000729683231 1028419741 /nfs/dbraw/zinc/41/97/41/1028419741.db2.gz HZZNYDSJRMNMHK-UHFFFAOYSA-N 0 3 337.423 3.598 20 30 EHEDHN C=CCc1cc(CNCc2ccc3nc[nH]c3c2)cc(OC)c1OC ZINC000729683231 1028419749 /nfs/dbraw/zinc/41/97/49/1028419749.db2.gz HZZNYDSJRMNMHK-UHFFFAOYSA-N 0 3 337.423 3.598 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(OCCCC#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000245201136 1028697544 /nfs/dbraw/zinc/69/75/44/1028697544.db2.gz FXAKCABYYHQNMY-OWCLPIDISA-N 0 3 329.444 3.569 20 30 EHEDHN Cc1c2ccccc2oc1[C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)C ZINC000424143406 1028831331 /nfs/dbraw/zinc/83/13/31/1028831331.db2.gz RBBHIUBUIAWQQJ-RDJZCZTQSA-N 0 3 327.428 3.576 20 30 EHEDHN Cc1ccc(SC2(CNC(=O)[C@H](N)CCCC#N)CCCC2)cc1 ZINC000424152456 1028840664 /nfs/dbraw/zinc/84/06/64/1028840664.db2.gz LWESCYOSQXTRRO-QGZVFWFLSA-N 0 3 345.512 3.537 20 30 EHEDHN N#Cc1ccc(N2CCC(N[C@@H]3C[C@]3(F)c3ccccc3)CC2)cc1 ZINC000424184579 1028855446 /nfs/dbraw/zinc/85/54/46/1028855446.db2.gz MWRWBFPDBMKTPM-RTWAWAEBSA-N 0 3 335.426 3.754 20 30 EHEDHN CC(C)c1ccc(CC2CCN(C(=O)[C@H](N)CCCC#N)CC2)cc1 ZINC000424173210 1028872802 /nfs/dbraw/zinc/87/28/02/1028872802.db2.gz NXLGBXCYUMLWKN-HXUWFJFHSA-N 0 3 341.499 3.612 20 30 EHEDHN Cc1c(CNC(=O)[C@H](N)CCCC#N)sc2ccc(Cl)cc12 ZINC000424189954 1028876946 /nfs/dbraw/zinc/87/69/46/1028876946.db2.gz NHVVMPBVDSTKRI-CYBMUJFWSA-N 0 3 335.860 3.501 20 30 EHEDHN CC(=O)c1ccc(C#N)cc1N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000324216286 1028883979 /nfs/dbraw/zinc/88/39/79/1028883979.db2.gz YGWHYKXFWKBCHA-QGZVFWFLSA-N 0 3 347.462 3.719 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(C3CC3)ccc2F)CC1 ZINC000454470461 1028941112 /nfs/dbraw/zinc/94/11/12/1028941112.db2.gz WILOIVWCDWZCEJ-UHFFFAOYSA-N 0 3 345.462 3.543 20 30 EHEDHN Clc1cccc(C#CCNC2(c3ccccc3)CCOCC2)c1 ZINC000533061205 1029252615 /nfs/dbraw/zinc/25/26/15/1029252615.db2.gz PTJYNXCCYIRBAX-UHFFFAOYSA-N 0 3 325.839 3.987 20 30 EHEDHN N#Cc1cnc2ccccc2c1N1CCN(CCc2cccs2)CC1 ZINC000525193536 1029747694 /nfs/dbraw/zinc/74/76/94/1029747694.db2.gz VSNDXZVFRNIQCC-UHFFFAOYSA-N 0 3 348.475 3.533 20 30 EHEDHN C=CCN(CC=C)C(=O)CN[C@@H](Cc1ccccc1)c1cccs1 ZINC000544414760 1029805291 /nfs/dbraw/zinc/80/52/91/1029805291.db2.gz DLGFZNXUWMBOCJ-SFHVURJKSA-N 0 3 340.492 3.822 20 30 EHEDHN CC1(C)CCCN(CCNC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455740818 1029872530 /nfs/dbraw/zinc/87/25/30/1029872530.db2.gz YRKYLQQACQBESU-UHFFFAOYSA-N 0 3 348.878 3.650 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453339664 1030122400 /nfs/dbraw/zinc/12/24/00/1030122400.db2.gz HODCKHLXIPTRQI-DFBGVHRSSA-N 0 3 325.836 3.741 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000453340852 1030126958 /nfs/dbraw/zinc/12/69/58/1030126958.db2.gz CRHDSQLEYKZEPM-RZAIGCCYSA-N 0 3 331.847 3.828 20 30 EHEDHN CC[C@@H](NCc1ccc(C)cc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000447572460 1030289818 /nfs/dbraw/zinc/28/98/18/1030289818.db2.gz CBIDZUKRCSUWGA-OAQYLSRUSA-N 0 3 349.478 3.944 20 30 EHEDHN C=CCc1cc(CN(Cc2cnn(C)c2)CC(C)C)cc(OC)c1O ZINC000453620636 1030411269 /nfs/dbraw/zinc/41/12/69/1030411269.db2.gz MAIMQSYATHWINS-UHFFFAOYSA-N 0 3 343.471 3.521 20 30 EHEDHN Cc1cccc(NC(=O)[C@@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000249130255 1030528450 /nfs/dbraw/zinc/52/84/50/1030528450.db2.gz DPQILNSEDOTTCZ-VQIMIIECSA-N 0 3 348.450 3.673 20 30 EHEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2)CN1Cc1ccccc1 ZINC000160129109 1030555537 /nfs/dbraw/zinc/55/55/37/1030555537.db2.gz SFFKOYSUGAMJPP-OXQOHEQNSA-N 0 3 348.450 3.537 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000160191414 1030588592 /nfs/dbraw/zinc/58/85/92/1030588592.db2.gz DYCUWIGOVPISAY-GDBMZVCRSA-N 0 3 327.403 3.918 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000174292861 1031175714 /nfs/dbraw/zinc/17/57/14/1031175714.db2.gz PFUVPNOGYFBFLK-UHFFFAOYSA-N 0 3 341.377 3.786 20 30 EHEDHN N#Cc1cccc(OCCCN2CCc3c(F)ccc(F)c3C2)c1 ZINC000477272745 1031395196 /nfs/dbraw/zinc/39/51/96/1031395196.db2.gz SDLWOMBDUNEADN-UHFFFAOYSA-N 0 3 328.362 3.664 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475737151 1031717553 /nfs/dbraw/zinc/71/75/53/1031717553.db2.gz CNSCIVZFQCWBKZ-QMTMVMCOSA-N 0 3 349.906 3.818 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000181343477 1031975778 /nfs/dbraw/zinc/97/57/78/1031975778.db2.gz DYTJGHVQCGNSRN-AZUAARDMSA-N 0 3 327.472 3.562 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000181343496 1031975977 /nfs/dbraw/zinc/97/59/77/1031975977.db2.gz DYTJGHVQCGNSRN-ICSRJNTNSA-N 0 3 327.472 3.562 20 30 EHEDHN CC(C)(NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000594431466 1033368638 /nfs/dbraw/zinc/36/86/38/1033368638.db2.gz NINNDEYUHPFHOH-AWEZNQCLSA-N 0 3 342.270 3.756 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000594433538 1033372459 /nfs/dbraw/zinc/37/24/59/1033372459.db2.gz GOKXDAPWOXOGQG-VQIMIIECSA-N 0 3 338.455 3.633 20 30 EHEDHN CCCCN(Cc1ccccc1Cl)C(=O)[C@@H](N)CCCCC#N ZINC000594439881 1033374652 /nfs/dbraw/zinc/37/46/52/1033374652.db2.gz RVESTIPPDJAZPJ-KRWDZBQOSA-N 0 3 335.879 3.880 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000594440783 1033375087 /nfs/dbraw/zinc/37/50/87/1033375087.db2.gz ZLBISJIFIZRALJ-LJQANCHMSA-N 0 3 341.499 3.806 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000594424294 1033389835 /nfs/dbraw/zinc/38/98/35/1033389835.db2.gz AEYKUDKXTBIAJB-HNNXBMFYSA-N 0 3 347.422 3.580 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000607901481 1033398834 /nfs/dbraw/zinc/39/88/34/1033398834.db2.gz IIWYSZXMGDDBLV-CYBMUJFWSA-N 0 3 340.389 3.576 20 30 EHEDHN Cc1nc2ccccn2c1CNCc1cccc(OCCCC#N)c1 ZINC000898275709 1033422126 /nfs/dbraw/zinc/42/21/26/1033422126.db2.gz BBTIXMZDMOEUAU-UHFFFAOYSA-N 0 3 334.423 3.615 20 30 EHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)c1cccc(Cl)c1 ZINC000173581763 1033428168 /nfs/dbraw/zinc/42/81/68/1033428168.db2.gz JQOINLDODQMBNP-IBGZPJMESA-N 0 3 326.827 3.933 20 30 EHEDHN N#CC1(c2ccc(CNCc3cccc(N4CCCC4=O)c3)cc2)CC1 ZINC000594925969 1033549642 /nfs/dbraw/zinc/54/96/42/1033549642.db2.gz QSFSSTHXDCFUCF-UHFFFAOYSA-N 0 3 345.446 3.658 20 30 EHEDHN C[C@H](NCC1(C(=O)OC(C)(C)C)CCC1)c1ccc(C#N)cc1F ZINC000595098765 1033689636 /nfs/dbraw/zinc/68/96/36/1033689636.db2.gz HPZAHJRBGNKKLI-ZDUSSCGKSA-N 0 3 332.419 3.860 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc(C)cc(C#N)c1)c1ccco1 ZINC000455958854 1033744588 /nfs/dbraw/zinc/74/45/88/1033744588.db2.gz SZVXXDBHBATSLO-PBHICJAKSA-N 0 3 340.427 3.711 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)Cc2c(C)nn(C)c2C)c([O-])c1 ZINC000158158888 1033746482 /nfs/dbraw/zinc/74/64/82/1033746482.db2.gz XSSMEYYVQZDLHQ-HADWXUJASA-N 0 3 342.487 3.639 20 30 EHEDHN N#Cc1ccc(CCN2CCC(Oc3cncc(Cl)c3)CC2)cc1 ZINC000595496900 1033831197 /nfs/dbraw/zinc/83/11/97/1033831197.db2.gz ITDKACGLRAKPPS-UHFFFAOYSA-N 0 3 341.842 3.693 20 30 EHEDHN Cc1ccc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1C#N ZINC000599267626 1033833475 /nfs/dbraw/zinc/83/34/75/1033833475.db2.gz RHVZBENXBZRBQC-GOSISDBHSA-N 0 3 349.482 3.564 20 30 EHEDHN C#CCCCN[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000174273547 1033886500 /nfs/dbraw/zinc/88/65/00/1033886500.db2.gz KEGUGHPKAVUGQI-HXUWFJFHSA-N 0 3 336.435 3.686 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@H](NCc1ccc(C#N)o1)C1CCCCC1 ZINC000174378516 1033914116 /nfs/dbraw/zinc/91/41/16/1033914116.db2.gz UJGDSNJVSMKCAU-KRWDZBQOSA-N 0 3 347.459 3.714 20 30 EHEDHN Cc1ccc(CN(C)CCc2nc(-c3ccccc3)no2)cc1C#N ZINC000599416936 1033928358 /nfs/dbraw/zinc/92/83/58/1033928358.db2.gz YWHLMBPXOAXPFD-UHFFFAOYSA-N 0 3 332.407 3.591 20 30 EHEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCC2 ZINC000595778738 1033995875 /nfs/dbraw/zinc/99/58/75/1033995875.db2.gz UKWCHCXHEWEDOA-IAGOWNOFSA-N 0 3 343.427 3.682 20 30 EHEDHN Cc1cc(CN2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)ccc1C#N ZINC000599585425 1034024857 /nfs/dbraw/zinc/02/48/57/1034024857.db2.gz YULZNLATVAVPIB-CRAIPNDOSA-N 0 3 328.456 3.666 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)CC1 ZINC000119006706 1034053072 /nfs/dbraw/zinc/05/30/72/1034053072.db2.gz NNFZIXMNZGGJCW-SFHVURJKSA-N 0 3 348.437 3.513 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)c1ccc2ccccc2c1 ZINC000599673734 1034081835 /nfs/dbraw/zinc/08/18/35/1034081835.db2.gz XGUTWYRQPXNYSY-MRXNPFEDSA-N 0 3 337.467 3.673 20 30 EHEDHN N#Cc1c(Cl)cccc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596443512 1034245985 /nfs/dbraw/zinc/24/59/85/1034245985.db2.gz YSEPXJIHQAQIBU-UHFFFAOYSA-N 0 3 340.858 3.931 20 30 EHEDHN C=C(C)COc1cc(CN2CCC(CCOC)CC2)ccc1OC ZINC000529637326 1034324221 /nfs/dbraw/zinc/32/42/21/1034324221.db2.gz CQOSSRRCVZHBPM-UHFFFAOYSA-N 0 3 333.472 3.899 20 30 EHEDHN CCC(CC)[C@@H](NCc1cnc2c(C#N)cnn2c1)c1cccs1 ZINC000604473797 1034385415 /nfs/dbraw/zinc/38/54/15/1034385415.db2.gz JCKJBYQFMCNPOD-QGZVFWFLSA-N 0 3 339.468 3.930 20 30 EHEDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000601622905 1034632056 /nfs/dbraw/zinc/63/20/56/1034632056.db2.gz XUPSUTJYALHJDG-UHFFFAOYSA-N 0 3 349.434 3.564 20 30 EHEDHN CCC(CC)(CC(=O)OC)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000472409144 1034673382 /nfs/dbraw/zinc/67/33/82/1034673382.db2.gz NWZDQXKFIOHOTL-UHFFFAOYSA-N 0 3 341.373 3.768 20 30 EHEDHN C#CCOc1ccc(CN[C@H](CC)c2ccc3c(c2)OCCO3)cc1 ZINC000172114894 1034819392 /nfs/dbraw/zinc/81/93/92/1034819392.db2.gz HBTHQZFDLIIXTL-LJQANCHMSA-N 0 3 337.419 3.711 20 30 EHEDHN N#CCC[C@@H](C#N)CNCCc1c2ccccc2[nH]c1C(F)(F)F ZINC000601938713 1034842202 /nfs/dbraw/zinc/84/22/02/1034842202.db2.gz ZMOJHZACWWXCAU-LBPRGKRZSA-N 0 3 334.345 3.762 20 30 EHEDHN CN(C)C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000597627989 1034849773 /nfs/dbraw/zinc/84/97/73/1034849773.db2.gz AFCRIZJMEUFNRK-QGZVFWFLSA-N 0 3 347.890 3.923 20 30 EHEDHN Cn1c2ccccc2cc(CN(Cc2ccc(C#N)cc2)C2CC2)c1=O ZINC000593954878 1034881059 /nfs/dbraw/zinc/88/10/59/1034881059.db2.gz SMYFBSGKSCXDIO-UHFFFAOYSA-N 0 3 343.430 3.575 20 30 EHEDHN N#Cc1ccc(Br)c(CN2CC[C@@H](C3CCOCC3)C2)c1 ZINC000365191424 1034956616 /nfs/dbraw/zinc/95/66/16/1034956616.db2.gz RSILEUGJQDPCCT-OAHLLOKOSA-N 0 3 349.272 3.569 20 30 EHEDHN C[C@@H]1CN(CCCCNc2nc(C(C)(C)C)ccc2C#N)C[C@H](C)O1 ZINC000613427276 1035827261 /nfs/dbraw/zinc/82/72/61/1035827261.db2.gz YJEHRKRUBXVCIJ-IYBDPMFKSA-N 0 3 344.503 3.552 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc([C@H]3CCCOC3)cc2)n1 ZINC000540947055 1035847250 /nfs/dbraw/zinc/84/72/50/1035847250.db2.gz OLQBAGRUPYSNHW-HOTGVXAUSA-N 0 3 326.421 3.836 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCc2cccs2)c1 ZINC000127526841 1036057325 /nfs/dbraw/zinc/05/73/25/1036057325.db2.gz QWJPDZCJNKMUQX-INIZCTEOSA-N 0 3 326.421 3.727 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2nc(Cl)c(C#N)s2)C1 ZINC000324075614 1036109921 /nfs/dbraw/zinc/10/99/21/1036109921.db2.gz YPBWHJLYAGEWNA-ZDUSSCGKSA-N 0 3 346.887 3.626 20 30 EHEDHN C[C@@H]1Cc2ccccc2CN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180197585 1036169639 /nfs/dbraw/zinc/16/96/39/1036169639.db2.gz HCAUPXKKYMMKHY-MRXNPFEDSA-N 0 3 342.446 3.906 20 30 EHEDHN Cc1cc(C)n(-c2ccccc2CNCc2ccc(C#N)c(C)c2)n1 ZINC000443984555 1036225483 /nfs/dbraw/zinc/22/54/83/1036225483.db2.gz FUFWBUAKBNOZPN-UHFFFAOYSA-N 0 3 330.435 3.959 20 30 EHEDHN C=CCN(CCOC)Cc1cc(Br)cc2cccnc21 ZINC000191146304 1036341482 /nfs/dbraw/zinc/34/14/82/1036341482.db2.gz JDMXMDGUAXOGPC-UHFFFAOYSA-N 0 3 335.245 3.632 20 30 EHEDHN N#Cc1ccc(CNC[C@@H]2OCCc3ccccc32)c(C(F)(F)F)c1 ZINC000589314888 1036358475 /nfs/dbraw/zinc/35/84/75/1036358475.db2.gz HORQJHFDRPLHMJ-SFHVURJKSA-N 0 3 346.352 3.981 20 30 EHEDHN c1ccc([C@@H]2CC(=NNC[C@@H]3CCSC3)CCN2C2CC2)cc1 ZINC000841639130 1036581468 /nfs/dbraw/zinc/58/14/68/1036581468.db2.gz KTXGUTLBRLRKAR-KXBFYZLASA-N 0 3 329.513 3.685 20 30 EHEDHN CC(C)c1csc([C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 ZINC000191394843 1036949536 /nfs/dbraw/zinc/94/95/36/1036949536.db2.gz AVFNFGBXCZDBML-HNNXBMFYSA-N 0 3 328.485 3.856 20 30 EHEDHN N#Cc1nc(N[C@H](CN2CCCC2)c2ccccc2)sc1Cl ZINC000590571504 1036954781 /nfs/dbraw/zinc/95/47/81/1036954781.db2.gz PYZGSEQHZGBRLL-CQSZACIVSA-N 0 3 332.860 3.917 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccccc2SC(C)C)CC1 ZINC000178164369 1037005148 /nfs/dbraw/zinc/00/51/48/1037005148.db2.gz IIPQLNFLXMXCTF-UHFFFAOYSA-N 0 3 333.501 3.959 20 30 EHEDHN CC1CCN(c2ccc(CN[C@H]3CCc4ccc(C#N)cc43)cn2)CC1 ZINC000573610840 1037628310 /nfs/dbraw/zinc/62/83/10/1037628310.db2.gz QONKIFHOILDMMV-NRFANRHFSA-N 0 3 346.478 3.967 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](CC)Oc2ccccc2C(C)C)CC1 ZINC000592068475 1037826988 /nfs/dbraw/zinc/82/69/88/1037826988.db2.gz QLJCWMPAFBGEFH-LJQANCHMSA-N 0 3 344.499 3.734 20 30 EHEDHN CC(C)(C)C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(F)cc1 ZINC000540354102 1037835483 /nfs/dbraw/zinc/83/54/83/1037835483.db2.gz LEYRCJXVNRFKGB-PXNSSMCTSA-N 0 3 345.462 3.701 20 30 EHEDHN C[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1cccc2ccccc21 ZINC000540342150 1037843183 /nfs/dbraw/zinc/84/31/83/1037843183.db2.gz FTTDJGNNAWQGOM-MRXNPFEDSA-N 0 3 343.430 3.678 20 30 EHEDHN C[C@H](NCC(=O)NCc1cccc(C#N)c1)c1cccc2ccccc21 ZINC000540342149 1037843559 /nfs/dbraw/zinc/84/35/59/1037843559.db2.gz FTTDJGNNAWQGOM-INIZCTEOSA-N 0 3 343.430 3.678 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000115764503 1038347506 /nfs/dbraw/zinc/34/75/06/1038347506.db2.gz WPVXXPNEQCUPRE-UHFFFAOYSA-N 0 3 340.471 3.595 20 30 EHEDHN C[C@@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000538507947 1038348412 /nfs/dbraw/zinc/34/84/12/1038348412.db2.gz NWNAMQAJOJZSRP-KDOFPFPSSA-N 0 3 343.446 3.529 20 30 EHEDHN CCc1ccc([C@@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000461729803 1038589707 /nfs/dbraw/zinc/58/97/07/1038589707.db2.gz JXRUTUWHPZCIER-HRAATJIYSA-N 0 3 349.478 3.643 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1cccc(C)c1)C(C)(C)C ZINC000539335325 1038784104 /nfs/dbraw/zinc/78/41/04/1038784104.db2.gz HYQSLLXENJRJTO-VQIMIIECSA-N 0 3 329.488 3.680 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2csc3cc(C)ccc23)CC1 ZINC000479962102 1038949438 /nfs/dbraw/zinc/94/94/38/1038949438.db2.gz JZVUVUSLVPRHHL-UHFFFAOYSA-N 0 3 328.481 3.980 20 30 EHEDHN Cc1cc(CN2CCC3(CC2)OCCc2ccsc23)ccc1C#N ZINC000488248324 1039003943 /nfs/dbraw/zinc/00/39/43/1039003943.db2.gz CNMDDYSGZBLYCW-UHFFFAOYSA-N 0 3 338.476 3.992 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000728763271 1039128802 /nfs/dbraw/zinc/12/88/02/1039128802.db2.gz IVGVBCKAZGAHBA-QZTJIDSGSA-N 0 3 328.456 3.832 20 30 EHEDHN CCc1nc2c(s1)[C@@H](N(C)CCOc1ccc(C#N)cc1)CCC2 ZINC000478054047 1039155022 /nfs/dbraw/zinc/15/50/22/1039155022.db2.gz OVYGZMVOESREIE-KRWDZBQOSA-N 0 3 341.480 3.965 20 30 EHEDHN Cc1ccccc1OCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000128165264 1039401538 /nfs/dbraw/zinc/40/15/38/1039401538.db2.gz QXLVEIYYZXYBNE-KRWDZBQOSA-N 0 3 336.391 3.502 20 30 EHEDHN N#CCC[C@H](NC[C@@H](O)COc1cccc2[nH]ccc21)c1ccccc1 ZINC000553054673 1039736246 /nfs/dbraw/zinc/73/62/46/1039736246.db2.gz NGIYWDFSSGIZIO-MJGOQNOKSA-N 0 3 349.434 3.542 20 30 EHEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC)c1ccccc1OC(F)F ZINC000912390270 1039862670 /nfs/dbraw/zinc/86/26/70/1039862670.db2.gz IUAVPOKUSPNHMS-KBPBESRZSA-N 0 3 326.387 3.539 20 30 EHEDHN CN1CC[C@@H](NCc2cc(C#N)ccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000573731839 1040208105 /nfs/dbraw/zinc/20/81/05/1040208105.db2.gz CEOHRJOAQHAAHH-RTBURBONSA-N 0 3 343.833 3.886 20 30 EHEDHN C=CCC(C)(C)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000490059680 1040329047 /nfs/dbraw/zinc/32/90/47/1040329047.db2.gz OHDUPZUCQBETSY-KRWDZBQOSA-N 0 3 332.463 3.756 20 30 EHEDHN C[C@@H](NC[C@H](C)N1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512640958 1040377737 /nfs/dbraw/zinc/37/77/37/1040377737.db2.gz BUCAEBMKSMQJBN-JKSUJKDBSA-N 0 3 337.442 3.795 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1c[nH]nc1-c1cccnc1 ZINC000418136067 1040634606 /nfs/dbraw/zinc/63/46/06/1040634606.db2.gz AADVRWKEBQZFLR-IBGZPJMESA-N 0 3 329.407 3.511 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000163654654 1040983177 /nfs/dbraw/zinc/98/31/77/1040983177.db2.gz PIRZMCWYMGDAQY-KBPBESRZSA-N 0 3 338.879 3.772 20 30 EHEDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC000178794303 1041313158 /nfs/dbraw/zinc/31/31/58/1041313158.db2.gz NUANNPBUNLTFMO-IAGOWNOFSA-N 0 3 347.434 3.623 20 30 EHEDHN CC(C)(CCC#N)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412331853 1041350975 /nfs/dbraw/zinc/35/09/75/1041350975.db2.gz CELLPBZBYAMYIL-UHFFFAOYSA-N 0 3 327.472 3.732 20 30 EHEDHN CC[C@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000104686542 1042293646 /nfs/dbraw/zinc/29/36/46/1042293646.db2.gz VMTSBHNPDMGSBM-ZDUSSCGKSA-N 0 3 330.476 3.761 20 30 EHEDHN CC1(C)CN(C(=O)CCCCC#N)C(C)(C)CN1Cc1ccccc1 ZINC000598891747 1042489503 /nfs/dbraw/zinc/48/95/03/1042489503.db2.gz DLMMGGYAPOZUNF-UHFFFAOYSA-N 0 3 341.499 3.972 20 30 EHEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000278862833 1042660848 /nfs/dbraw/zinc/66/08/48/1042660848.db2.gz GNCROWXIUUHVTM-MOPGFXCFSA-N 0 3 344.842 3.565 20 30 EHEDHN N#CCCCCN(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000344117489 1043283226 /nfs/dbraw/zinc/28/32/26/1043283226.db2.gz PJBWNNBPCPVVPZ-OAHLLOKOSA-N 0 3 348.796 3.802 20 30 EHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(F)c2cccnc12 ZINC000344134833 1043309535 /nfs/dbraw/zinc/30/95/35/1043309535.db2.gz ZOGWQGNWYRCWQI-UHFFFAOYSA-N 0 3 349.409 3.894 20 30 EHEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1OC(F)F)c1nccs1 ZINC000344368022 1043769715 /nfs/dbraw/zinc/76/97/15/1043769715.db2.gz XIVBOMGOUDIXPB-NSHDSACASA-N 0 3 337.395 3.852 20 30 EHEDHN C=CCOc1ccccc1CNC[C@H](c1ccco1)N1CCCC1 ZINC000060829485 1043894227 /nfs/dbraw/zinc/89/42/27/1043894227.db2.gz OMNBUFBMMQNTHQ-GOSISDBHSA-N 0 3 326.440 3.771 20 30 EHEDHN C#Cc1cccc(NC(=S)N2CCN(C3CCC(C)CC3)CC2)c1 ZINC000734380916 1131231261 /nfs/dbraw/zinc/23/12/61/1131231261.db2.gz LOROZYRBSXKMFL-UHFFFAOYSA-N 0 3 341.524 3.561 20 30 EHEDHN C=CCC[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000180044167 1127113298 /nfs/dbraw/zinc/11/32/98/1127113298.db2.gz PPPABVRJMUFWCQ-INIZCTEOSA-N 0 3 325.437 3.855 20 30 EHEDHN Cc1cccc([C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(C)(C)C)c1 ZINC000180791479 1127187053 /nfs/dbraw/zinc/18/70/53/1127187053.db2.gz ZLXTUZXIZRTZKM-ICSRJNTNSA-N 0 3 329.488 3.726 20 30 EHEDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(OCC#N)cc1 ZINC000172119561 1127769033 /nfs/dbraw/zinc/76/90/33/1127769033.db2.gz RRQHFMKWOREUMQ-CQSZACIVSA-N 0 3 327.403 3.645 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc2cc(C#N)ccc2n1 ZINC000301979149 1128613861 /nfs/dbraw/zinc/61/38/61/1128613861.db2.gz OVHKXIFTDQWCCO-QGZVFWFLSA-N 0 3 342.446 3.817 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000303881508 1128704813 /nfs/dbraw/zinc/70/48/13/1128704813.db2.gz QZXBPTVDIOEOAA-BQFCYCMXSA-N 0 3 332.463 3.817 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000303881511 1128705580 /nfs/dbraw/zinc/70/55/80/1128705580.db2.gz QZXBPTVDIOEOAA-XYJFISCASA-N 0 3 332.463 3.817 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3c(c2)C[C@H](C)O3)c1 ZINC000921744001 1128718160 /nfs/dbraw/zinc/71/81/60/1128718160.db2.gz UAWSVEOKZTWLRC-HNAYVOBHSA-N 0 3 336.435 3.981 20 30 EHEDHN C=C(CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000508902051 1128732915 /nfs/dbraw/zinc/73/29/15/1128732915.db2.gz ZUDHWGJSQFJAQQ-YLJYHZDGSA-N 0 3 337.467 3.690 20 30 EHEDHN N#Cc1ccc(CN(CCc2nc(-c3ccccc3)no2)C2CC2)cc1 ZINC000172652687 1128770277 /nfs/dbraw/zinc/77/02/77/1128770277.db2.gz HPECOCYZSRDGOJ-UHFFFAOYSA-N 0 3 344.418 3.815 20 30 EHEDHN Cc1nc2c(s1)[C@H](N(C)CCOc1cccc(C#N)c1)CCC2 ZINC000111311998 1128859295 /nfs/dbraw/zinc/85/92/95/1128859295.db2.gz GCOJNWQULHIDEY-QGZVFWFLSA-N 0 3 327.453 3.711 20 30 EHEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000176533986 1120587933 /nfs/dbraw/zinc/58/79/33/1120587933.db2.gz XNZYACZWLQSINL-LLVKDONJSA-N 0 3 325.195 3.997 20 30 EHEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000193589830 1121475375 /nfs/dbraw/zinc/47/53/75/1121475375.db2.gz MVKURAHZRVHVTC-SFHVURJKSA-N 0 3 338.407 3.601 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(CC)cc2)C2CC2)CC1 ZINC000171738942 1121671291 /nfs/dbraw/zinc/67/12/91/1121671291.db2.gz YVSZUIAGYKICQU-UHFFFAOYSA-N 0 3 341.499 3.573 20 30 EHEDHN CCOc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccc1OC ZINC000171768773 1121760309 /nfs/dbraw/zinc/76/03/09/1121760309.db2.gz YFOKFOZIRLUALM-HNNXBMFYSA-N 0 3 340.423 3.847 20 30 EHEDHN C[C@H]1Cc2ccccc2N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916966437 1122423670 /nfs/dbraw/zinc/42/36/70/1122423670.db2.gz GVMCOGILBSYSPG-DZGCQCFKSA-N 0 3 347.443 3.924 20 30 EHEDHN COc1ccc(CNCCSCc2ccccc2C#N)c(OC)c1 ZINC000170670623 1122513485 /nfs/dbraw/zinc/51/34/85/1122513485.db2.gz HKPOWSPDEKIKOL-UHFFFAOYSA-N 0 3 342.464 3.598 20 30 EHEDHN C=CCN1CC[C@H](N[C@H](c2ccc(Cl)cc2)C2CCCC2)C1=O ZINC000499598858 1129063857 /nfs/dbraw/zinc/06/38/57/1129063857.db2.gz BIEICPYVRYXRIJ-ROUUACIJSA-N 0 3 332.875 3.948 20 30 EHEDHN CN(CCOc1ccccc1Cl)CCOc1ccccc1C#N ZINC000497605294 1122607028 /nfs/dbraw/zinc/60/70/28/1122607028.db2.gz DSUVKXOCQPYDEB-UHFFFAOYSA-N 0 3 330.815 3.601 20 30 EHEDHN C=CCN1CC[C@@H](N[C@H](c2cccc(Cl)c2)C2CCCC2)C1=O ZINC000499607830 1129075318 /nfs/dbraw/zinc/07/53/18/1129075318.db2.gz BYYHKKYSJWOJJD-MSOLQXFVSA-N 0 3 332.875 3.948 20 30 EHEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)nc1 ZINC000556067416 1122798296 /nfs/dbraw/zinc/79/82/96/1122798296.db2.gz QKWDZRKTYJYRBB-CYBMUJFWSA-N 0 3 349.312 3.773 20 30 EHEDHN C[C@@H](Cc1ccc(F)c(Br)c1)NCc1ccc(C#N)o1 ZINC000130266519 1122921823 /nfs/dbraw/zinc/92/18/23/1122921823.db2.gz UBGLEMWAQBLVKR-JTQLQIEISA-N 0 3 337.192 3.774 20 30 EHEDHN C[C@H](c1ccccc1Cl)N(CCC(=O)N(C)CCC#N)C1CC1 ZINC000131434211 1123105534 /nfs/dbraw/zinc/10/55/34/1123105534.db2.gz ILJJNMMQOBAUIK-CQSZACIVSA-N 0 3 333.863 3.628 20 30 EHEDHN C[C@@H]1CCC[C@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000499042587 1123168277 /nfs/dbraw/zinc/16/82/77/1123168277.db2.gz GLJVDQSHNZLVLG-MSOLQXFVSA-N 0 3 341.499 3.665 20 30 EHEDHN CCCN1CCC[C@H]1CNC(=O)c1sc2ccc(C#N)cc2c1C ZINC000556944898 1123226770 /nfs/dbraw/zinc/22/67/70/1123226770.db2.gz UCIUCFAVBVVRIB-HNNXBMFYSA-N 0 3 341.480 3.686 20 30 EHEDHN C[NH+](C)C1(C/N=C\c2cc(Br)ccc2[O-])CCCCC1 ZINC000920945168 1123441338 /nfs/dbraw/zinc/44/13/38/1123441338.db2.gz RGKQQQDVOPAXPY-WQRHYEAKSA-N 0 3 339.277 3.838 20 30 EHEDHN CC(C)N(CCOc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350366 1123573664 /nfs/dbraw/zinc/57/36/64/1123573664.db2.gz NBGTWKHUBCUHOW-UHFFFAOYSA-N 0 3 339.395 3.756 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000609627589 1123628476 /nfs/dbraw/zinc/62/84/76/1123628476.db2.gz QXJOGKDZZPATHL-ZDUSSCGKSA-N 0 3 325.368 3.990 20 30 EHEDHN N#CC(C(=O)Nc1ccc(F)cc1F)c1nc2cc(F)ccc2s1 ZINC000609627452 1123628644 /nfs/dbraw/zinc/62/86/44/1123628644.db2.gz ZRXAWLRBZNLRNM-JTQLQIEISA-N 0 3 347.321 3.959 20 30 EHEDHN C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)S1 ZINC000092540385 1125126476 /nfs/dbraw/zinc/12/64/76/1125126476.db2.gz BHWNWFSNHURYIR-HZPDHXFCSA-N 0 3 340.496 3.790 20 30 EHEDHN COc1cc(CN[C@H](CN2CCCCC2)c2ccccc2)ccc1C#N ZINC000619652606 1125378304 /nfs/dbraw/zinc/37/83/04/1125378304.db2.gz JULDMRKZETYKRK-OAQYLSRUSA-N 0 3 349.478 3.884 20 30 EHEDHN CSc1ccc([C@H](CNc2nccc(C)c2C#N)N(C)C)cc1 ZINC000338829638 1129361714 /nfs/dbraw/zinc/36/17/14/1129361714.db2.gz DDNUXXWUXJRPDG-KRWDZBQOSA-N 0 3 326.469 3.698 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000922250073 1129401826 /nfs/dbraw/zinc/40/18/26/1129401826.db2.gz OFXGFTXDOUUUFW-CVEARBPZSA-N 0 3 335.492 3.743 20 30 EHEDHN CSc1ccc([C@@H](CNc2nc(C)ccc2C#N)N(C)C)cc1 ZINC000338837579 1129415324 /nfs/dbraw/zinc/41/53/24/1129415324.db2.gz PJZNACCROVNUFJ-QGZVFWFLSA-N 0 3 326.469 3.698 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000765979985 1129429187 /nfs/dbraw/zinc/42/91/87/1129429187.db2.gz YNNYHPPZVZODSH-UONOGXRCSA-N 0 3 335.407 3.692 20 30 EHEDHN C[C@@H]1Cc2cc(CNCc3cccc(OCCCC#N)c3)ccc2O1 ZINC000922702413 1129637430 /nfs/dbraw/zinc/63/74/30/1129637430.db2.gz KPPHMADBODQPFK-MRXNPFEDSA-N 0 3 336.435 3.982 20 30 EHEDHN N#Cc1ccc(OCCN2CCC(OC3CCCCC3)CC2)cc1 ZINC000125615280 1129706980 /nfs/dbraw/zinc/70/69/80/1129706980.db2.gz XVHRWNQFXYFHSU-UHFFFAOYSA-N 0 3 328.456 3.751 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000172216019 1130115306 /nfs/dbraw/zinc/11/53/06/1130115306.db2.gz LUOFVUQMBCXGQG-IBGZPJMESA-N 0 3 348.450 3.653 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000172396039 1130129676 /nfs/dbraw/zinc/12/96/76/1130129676.db2.gz NPHJDOXPJNQGQX-IRXDYDNUSA-N 0 3 339.483 3.590 20 30 EHEDHN C=CCCN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000172943880 1130168562 /nfs/dbraw/zinc/16/85/62/1130168562.db2.gz SQOHTYKYSSTHIW-SFHVURJKSA-N 0 3 349.883 3.999 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000674880524 1130214665 /nfs/dbraw/zinc/21/46/65/1130214665.db2.gz KKDLFZATUPZDNC-SFHVURJKSA-N 0 3 344.380 3.925 20 30 EHEDHN C[C@@H](NCc1cccc(CN2CCO[C@@H](C)C2)c1)c1cccc(C#N)c1 ZINC000245971032 1130335436 /nfs/dbraw/zinc/33/54/36/1130335436.db2.gz ZQTRUBKJXLPLMV-ZWKOTPCHSA-N 0 3 349.478 3.630 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)Cc2ccccc2Cl)CC1 ZINC000730024709 1130664613 /nfs/dbraw/zinc/66/46/13/1130664613.db2.gz RBHQHHIEHIFPFJ-OAHLLOKOSA-N 0 3 349.906 3.611 20 30 EHEDHN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000733054171 1130986770 /nfs/dbraw/zinc/98/67/70/1130986770.db2.gz ZJQQKXQUROHVEQ-MCIONIFRSA-N 0 3 348.830 3.583 20 30 EHEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000733053448 1130986866 /nfs/dbraw/zinc/98/68/66/1130986866.db2.gz NJUIMUQSXWPQCJ-UHOFOFEASA-N 0 3 348.830 3.583 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CNC[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000741256111 1131590358 /nfs/dbraw/zinc/59/03/58/1131590358.db2.gz KLVPSGGTHVGDRY-YVEFUNNKSA-N 0 3 348.805 3.593 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2NC(C)=O)c([O-])c1 ZINC000741465866 1131606052 /nfs/dbraw/zinc/60/60/52/1131606052.db2.gz YZBKTNFJDUVERR-KGENOOAVSA-N 0 3 339.439 3.816 20 30 EHEDHN C[C@@H](CCCC#N)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001172494528 1131757937 /nfs/dbraw/zinc/75/79/37/1131757937.db2.gz VJRVKWBHWKNVFF-HNNXBMFYSA-N 0 3 339.405 3.905 20 30 EHEDHN CCS[C@@H]1CC[C@@H](N(C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743397899 1131911254 /nfs/dbraw/zinc/91/12/54/1131911254.db2.gz DODLLRNMCMASJM-QZTJIDSGSA-N 0 3 340.496 3.985 20 30 EHEDHN Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)cc1F ZINC001172967704 1131920189 /nfs/dbraw/zinc/92/01/89/1131920189.db2.gz ADRSYHPLODMFEU-CVEARBPZSA-N 0 3 347.434 3.515 20 30 EHEDHN Cc1c(F)cccc1CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968602 1131921017 /nfs/dbraw/zinc/92/10/17/1131921017.db2.gz NHTGGRFZHIYOJF-HOTGVXAUSA-N 0 3 347.434 3.515 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1cccc2ccccc21)c1ccco1 ZINC000744030073 1132006546 /nfs/dbraw/zinc/00/65/46/1132006546.db2.gz ZDNQRTXBYLIHFB-CZUORRHYSA-N 0 3 332.359 3.884 20 30 EHEDHN C#C[C@H](NCc1cc(Br)c(OCC)c(OC)c1)C(C)C ZINC000379679951 1132306139 /nfs/dbraw/zinc/30/61/39/1132306139.db2.gz ZEDQSHIMARBZJP-AWEZNQCLSA-N 0 3 340.261 3.604 20 30 EHEDHN C[C@@H]1C[C@H](NCc2ccc(Cl)c(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001168840395 1132578165 /nfs/dbraw/zinc/57/81/65/1132578165.db2.gz VCWKKAAJCPHHHZ-DOMZBBRYSA-N 0 3 349.862 3.699 20 30 EHEDHN Cc1cc(C#N)cc(C)c1CNC(C)(C)C(=O)NCC1CCCCC1 ZINC001168872862 1132592894 /nfs/dbraw/zinc/59/28/94/1132592894.db2.gz KFKBYNOKEBOHKC-UHFFFAOYSA-N 0 3 341.499 3.740 20 30 EHEDHN CCOc1c(Cl)cc(C=NOCCN2CCCCC2)cc1OC ZINC000766685822 1132744064 /nfs/dbraw/zinc/74/40/64/1132744064.db2.gz UMNIHZLTTKUATP-UHFFFAOYSA-N 0 3 340.851 3.584 20 30 EHEDHN CC(C)[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccccc1 ZINC000103330862 1132826026 /nfs/dbraw/zinc/82/60/26/1132826026.db2.gz MZTFJBGESMBRBQ-DLBZAZTESA-N 0 3 335.407 3.559 20 30 EHEDHN C[C@@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC001176337352 1132902407 /nfs/dbraw/zinc/90/24/07/1132902407.db2.gz XOVMFYVBCXZYNJ-LJQANCHMSA-N 0 3 334.463 3.997 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000766989267 1132921339 /nfs/dbraw/zinc/92/13/39/1132921339.db2.gz UFEBFHNFEMXWLC-BZSNNMDCSA-N 0 3 327.472 3.608 20 30 EHEDHN C#CCC1([NH2+]Cc2cc(=O)oc3c(C)c([O-])ccc23)CCCCC1 ZINC001176431417 1132927359 /nfs/dbraw/zinc/92/73/59/1132927359.db2.gz DLLZFMVTLZRJEY-UHFFFAOYSA-N 0 3 325.408 3.623 20 30 EHEDHN C#CCN(C[C@@H]1CCC2(CCOCC2)O1)[C@H]1CCCc2ccccc21 ZINC001176453406 1132937994 /nfs/dbraw/zinc/93/79/94/1132937994.db2.gz TXUQMRQPQJQJSD-FPOVZHCZSA-N 0 3 339.479 3.727 20 30 EHEDHN CCN1CCN(c2ccc(NCc3ccc(C#N)c(C)c3)cc2)CC1 ZINC000767682285 1133038509 /nfs/dbraw/zinc/03/85/09/1133038509.db2.gz QJBSWVBJJCIXFS-UHFFFAOYSA-N 0 3 334.467 3.621 20 30 EHEDHN CC[C@@H](c1ccccc1)N1CCN(Cc2csc(C#N)c2)CC1 ZINC001204211632 1133137408 /nfs/dbraw/zinc/13/74/08/1133137408.db2.gz CLUMRSZOZNKUPX-IBGZPJMESA-N 0 3 325.481 3.889 20 30 EHEDHN CC(C)(C)CC[C@@H](CO)NCc1cc(C#N)ccc1Br ZINC001178571077 1133182828 /nfs/dbraw/zinc/18/28/28/1133182828.db2.gz HQCSKZHZRKDOPY-AWEZNQCLSA-N 0 3 339.277 3.598 20 30 EHEDHN CC(C)(C)CC[C@H](CO)NCc1cc(C#N)ccc1Br ZINC001178571078 1133182847 /nfs/dbraw/zinc/18/28/47/1133182847.db2.gz HQCSKZHZRKDOPY-CQSZACIVSA-N 0 3 339.277 3.598 20 30 EHEDHN CC#CC[C@H](CO)NCc1ccccc1Oc1ccc(C)cc1OC ZINC001179054462 1133222896 /nfs/dbraw/zinc/22/28/96/1133222896.db2.gz TYHBTSXYADWMFP-GOSISDBHSA-N 0 3 339.435 3.660 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000769315212 1133260405 /nfs/dbraw/zinc/26/04/05/1133260405.db2.gz HSCNLSVDEXPSHM-UTKZUKDTSA-N 0 3 336.435 3.941 20 30 EHEDHN C#CCOc1ccccc1CN1CCC(O)(c2cccc(C)c2C)CC1 ZINC000769496052 1133300583 /nfs/dbraw/zinc/30/05/83/1133300583.db2.gz JQUFDSSDPPYOBF-UHFFFAOYSA-N 0 3 349.474 3.799 20 30 EHEDHN C=CCN1C(=O)CCC12CCN(Cc1ccc(OCCC)cc1)CC2 ZINC001204308630 1133528718 /nfs/dbraw/zinc/52/87/18/1133528718.db2.gz XPFNNBRDIPGJHT-UHFFFAOYSA-N 0 3 342.483 3.618 20 30 EHEDHN C=C[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000785998587 1133789740 /nfs/dbraw/zinc/78/97/40/1133789740.db2.gz IPVIWKDKQDPPFR-UONOGXRCSA-N 0 3 325.437 3.513 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)cc1 ZINC000786313956 1133835728 /nfs/dbraw/zinc/83/57/28/1133835728.db2.gz JLWWVVUTCVLXCV-CJNGLKHVSA-N 0 3 325.412 3.787 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)cc1 ZINC000786313947 1133835867 /nfs/dbraw/zinc/83/58/67/1133835867.db2.gz JLWWVVUTCVLXCV-BBRMVZONSA-N 0 3 325.412 3.787 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)CCC(C)(C)C)c1 ZINC000786538780 1133864179 /nfs/dbraw/zinc/86/41/79/1133864179.db2.gz HFIXMKIVCCBSMK-NVXWUHKLSA-N 0 3 328.456 3.783 20 30 EHEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786546332 1133872686 /nfs/dbraw/zinc/87/26/86/1133872686.db2.gz IAXMZFKDOZTZGM-WMZOPIPTSA-N 0 3 328.456 3.927 20 30 EHEDHN N#CC(C(=O)CCCC1CCCC1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569076 1133875897 /nfs/dbraw/zinc/87/58/97/1133875897.db2.gz JLFKDFCAHWPBIG-OAHLLOKOSA-N 0 3 348.393 3.650 20 30 EHEDHN C=CCCC(C)(C)CNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC001184110404 1133894689 /nfs/dbraw/zinc/89/46/89/1133894689.db2.gz ZMBZSJZEBJXWEH-GOSISDBHSA-N 0 3 332.488 3.843 20 30 EHEDHN C#CC[C@H](N[C@@H](C)c1ccc(N2CCNC2=O)cc1)c1ccccc1 ZINC000786870657 1133914463 /nfs/dbraw/zinc/91/44/63/1133914463.db2.gz KSXQSDXEBUYDOQ-JXFKEZNVSA-N 0 3 333.435 3.631 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(F)cc1C ZINC000746661944 1133972583 /nfs/dbraw/zinc/97/25/83/1133972583.db2.gz OKWMWMIXOCJQBP-HXUWFJFHSA-N 0 3 329.415 3.864 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc(Br)ccc1F ZINC000788799226 1134170207 /nfs/dbraw/zinc/17/02/07/1134170207.db2.gz CRBICIGVFHAGGY-PGUXBMHVSA-N 0 3 343.240 3.615 20 30 EHEDHN C[C@H](c1ccccc1)N(C(=O)[C@H]1CCCN(C)C1)C1=CC(=O)CCC1 ZINC001186360742 1134201759 /nfs/dbraw/zinc/20/17/59/1134201759.db2.gz QGTKMKGTPJENGN-AEFFLSMTSA-N 0 3 340.467 3.555 20 30 EHEDHN CC(C)(C/N=C/c1cc(Br)ccc1[O-])C[NH+]1CCCC1 ZINC000790100517 1134371517 /nfs/dbraw/zinc/37/15/17/1134371517.db2.gz WEOYXSQNWXIMMM-VCHYOVAHSA-N 0 3 339.277 3.696 20 30 EHEDHN C=CCC1(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CCC1 ZINC000790135721 1134372062 /nfs/dbraw/zinc/37/20/62/1134372062.db2.gz STNXLFZCPAQEFB-UHFFFAOYSA-N 0 3 327.472 3.513 20 30 EHEDHN COCCN(Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H]1CC[C@H](C)C1 ZINC000790475611 1134422025 /nfs/dbraw/zinc/42/20/25/1134422025.db2.gz BLNGZTJTOWXNFD-LPHOPBHVSA-N 0 3 338.455 3.516 20 30 EHEDHN O=C(Nc1cc(Cl)ccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001188978896 1134534272 /nfs/dbraw/zinc/53/42/72/1134534272.db2.gz XCRBDXAKWOZWTN-GFCCVEGCSA-N 0 3 343.235 3.799 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC2(OC)CCC2)cc1 ZINC000791770624 1134599354 /nfs/dbraw/zinc/59/93/54/1134599354.db2.gz CMQIPNNIJVMRLF-QGZVFWFLSA-N 0 3 342.439 3.636 20 30 EHEDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C#N)cc2OC(F)F)c1 ZINC000775362129 1134665620 /nfs/dbraw/zinc/66/56/20/1134665620.db2.gz GBSYWEFMPPMANG-LLVKDONJSA-N 0 3 348.349 3.725 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001190457239 1134703988 /nfs/dbraw/zinc/70/39/88/1134703988.db2.gz JMBKEZGKAJLKDU-HOTGVXAUSA-N 0 3 329.362 3.793 20 30 EHEDHN C#CC[C@H](NC[C@H](O)COc1cccc2ccccc21)c1ccccc1 ZINC000775401421 1134730151 /nfs/dbraw/zinc/73/01/51/1134730151.db2.gz UCZINFBMTBGPLI-UNMCSNQZSA-N 0 3 345.442 3.934 20 30 EHEDHN C#CC[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000775401373 1134730241 /nfs/dbraw/zinc/73/02/41/1134730241.db2.gz SVVDXMBNPGTTQA-FYYLOGMGSA-N 0 3 345.442 3.934 20 30 EHEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(C1)CCCCC2 ZINC001191201537 1134815299 /nfs/dbraw/zinc/81/52/99/1134815299.db2.gz AGODGCHAYQVURG-IDYZSHNDSA-N 0 3 345.531 3.962 20 30 EHEDHN C[C@H](Cn1ncc2ccccc21)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000793121554 1134850779 /nfs/dbraw/zinc/85/07/79/1134850779.db2.gz DGDYOVFYSGJFKH-UKRRQHHQSA-N 0 3 344.374 3.690 20 30 EHEDHN CCCN(CCN1CCCCC1)C(=O)c1ccccc1SCC#N ZINC000804566110 1135122375 /nfs/dbraw/zinc/12/23/75/1135122375.db2.gz KDBSZUITQVNZPT-UHFFFAOYSA-N 0 3 345.512 3.640 20 30 EHEDHN C[C@H](NCCC(=O)Nc1ccccc1C#N)c1cc2ccccc2o1 ZINC001193437274 1135135547 /nfs/dbraw/zinc/13/55/47/1135135547.db2.gz BEKLSRCWTGIHNX-AWEZNQCLSA-N 0 3 333.391 3.984 20 30 EHEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1CC1CCC(C#N)CC1 ZINC001193675951 1135169660 /nfs/dbraw/zinc/16/96/60/1135169660.db2.gz USUDFDUOOUGSAJ-RYTJFDOTSA-N 0 3 335.492 3.646 20 30 EHEDHN C=C[C@](C)(CCOC)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000805925049 1135356462 /nfs/dbraw/zinc/35/64/62/1135356462.db2.gz CLYRLIYFOWCOBO-HXUWFJFHSA-N 0 3 331.456 3.668 20 30 EHEDHN Cc1cc(Br)cc(C[N@H+](C)Cc2ccc(C#N)cc2)c1[O-] ZINC000775648376 1135405466 /nfs/dbraw/zinc/40/54/66/1135405466.db2.gz GLOVYRVLWPCWEC-UHFFFAOYSA-N 0 3 345.240 3.967 20 30 EHEDHN Cc1cc(Br)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1[O-] ZINC000775648376 1135405469 /nfs/dbraw/zinc/40/54/69/1135405469.db2.gz GLOVYRVLWPCWEC-UHFFFAOYSA-N 0 3 345.240 3.967 20 30 EHEDHN C=CC[C@H](NC(=O)N(CCC)CCN1CCCCC1)c1ccncc1 ZINC000806819455 1135495434 /nfs/dbraw/zinc/49/54/34/1135495434.db2.gz PPKKHIOUUCMLMP-IBGZPJMESA-N 0 3 344.503 3.606 20 30 EHEDHN C=CC[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C1 ZINC001196441299 1135557688 /nfs/dbraw/zinc/55/76/88/1135557688.db2.gz KZQRLDSJJSHHEM-HZPDHXFCSA-N 0 3 326.440 3.850 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN(CC(C)C)C2CC2)cc1C ZINC000747525105 1135720277 /nfs/dbraw/zinc/72/02/77/1135720277.db2.gz YXTSOIAIWYCJSS-UHFFFAOYSA-N 0 3 327.472 3.671 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](C3CC3)C2)cc1 ZINC000808778482 1135735205 /nfs/dbraw/zinc/73/52/05/1135735205.db2.gz YGZCUDAIYHYNHY-IEBWSBKVSA-N 0 3 339.483 3.752 20 30 EHEDHN CCN(C[C@@H](C)C#N)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809938432 1135902368 /nfs/dbraw/zinc/90/23/68/1135902368.db2.gz ARJLIIZDNPWICC-ULQDDVLXSA-N 0 3 337.508 3.799 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810077345 1135918419 /nfs/dbraw/zinc/91/84/19/1135918419.db2.gz GNAWSMPSNZHXGS-HXUWFJFHSA-N 0 3 345.462 3.509 20 30 EHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(N2CCOC2=O)cc1 ZINC000810212196 1135944009 /nfs/dbraw/zinc/94/40/09/1135944009.db2.gz NQBJUYINHQDBNX-XOBRGWDASA-N 0 3 347.418 3.853 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)cc1 ZINC000810532378 1135971039 /nfs/dbraw/zinc/97/10/39/1135971039.db2.gz DBTRGBUWNFGYAO-YSVLISHTSA-N 0 3 344.480 3.991 20 30 EHEDHN CCCC(CC)=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000776179344 1136016826 /nfs/dbraw/zinc/01/68/26/1136016826.db2.gz QUYXAUVFIDCFQN-UHFFFAOYSA-N 0 3 346.544 3.681 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2c(C)oc3ccc(OC)cc32)CC1 ZINC000106035962 1136025565 /nfs/dbraw/zinc/02/55/65/1136025565.db2.gz RAKFNUSQJYUXOH-UHFFFAOYSA-N 0 3 342.439 3.520 20 30 EHEDHN C=CC[C@H](CO)NCc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001202194247 1136108990 /nfs/dbraw/zinc/10/89/90/1136108990.db2.gz NIMSEZGPVDVYEZ-MRXNPFEDSA-N 0 3 337.341 3.923 20 30 EHEDHN Cc1cc(CN[C@H](C)c2ccc(N3CCCNC3=O)cc2)ccc1C#N ZINC000812801816 1136253957 /nfs/dbraw/zinc/25/39/57/1136253957.db2.gz OJNISFWGQFTHDZ-MRXNPFEDSA-N 0 3 348.450 3.637 20 30 EHEDHN Cc1cc(C)cc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000813213016 1136302901 /nfs/dbraw/zinc/30/29/01/1136302901.db2.gz HEARFDFHTTUPBZ-HNNXBMFYSA-N 0 3 348.324 3.973 20 30 EHEDHN CO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCCCC1 ZINC000851039061 1136331065 /nfs/dbraw/zinc/33/10/65/1136331065.db2.gz PZYLJINMNSHIRC-XJKSGUPXSA-N 0 3 340.345 3.872 20 30 EHEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(N2CCCOC2=O)cc1 ZINC000814305036 1136438324 /nfs/dbraw/zinc/43/83/24/1136438324.db2.gz WDAQKEBTBFUUIB-ZDUSSCGKSA-N 0 3 341.436 3.817 20 30 EHEDHN C#CCCN(CCOC)Cc1c(-c2ccccc2)nc2sccn12 ZINC000852753086 1136483722 /nfs/dbraw/zinc/48/37/22/1136483722.db2.gz WLSUEDZQKBFXPR-UHFFFAOYSA-N 0 3 339.464 3.535 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2oc(SC)cc2C)cc1 ZINC000853099899 1136509067 /nfs/dbraw/zinc/50/90/67/1136509067.db2.gz WJFRNUKMGANFOJ-CQSZACIVSA-N 0 3 342.420 3.834 20 30 EHEDHN C[C@@H](NC[C@H](O)c1c(F)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000776746905 1136624488 /nfs/dbraw/zinc/62/44/88/1136624488.db2.gz TZFZZELOGZSVAC-HWPZZCPQSA-N 0 3 336.769 3.874 20 30 EHEDHN C#CCN(C)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815652608 1136626120 /nfs/dbraw/zinc/62/61/20/1136626120.db2.gz JOOAIJZKXZBVJK-OAQYLSRUSA-N 0 3 336.479 3.611 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000776787959 1136665803 /nfs/dbraw/zinc/66/58/03/1136665803.db2.gz YIRAFIYRVLRTQL-KRWDZBQOSA-N 0 3 343.471 3.603 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000816631647 1136747290 /nfs/dbraw/zinc/74/72/90/1136747290.db2.gz ZEIJCCYBXXUNIH-NRFANRHFSA-N 0 3 335.447 3.692 20 30 EHEDHN C#CCOc1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000825311016 1137174078 /nfs/dbraw/zinc/17/40/78/1137174078.db2.gz FIPISZBSUMGIRD-LJQANCHMSA-N 0 3 341.476 3.754 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCCO2)cc1 ZINC000120028949 1137225454 /nfs/dbraw/zinc/22/54/54/1137225454.db2.gz KOXSUHKRUOKXFR-QZTJIDSGSA-N 0 3 342.439 3.636 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)CCC(=O)OC(C)C)c([O-])c1 ZINC000794832738 1137273248 /nfs/dbraw/zinc/27/32/48/1137273248.db2.gz KONAQOSTZILXBC-HYTQYMIGSA-N 0 3 334.460 3.778 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H]1CCOc2cc(F)cc(F)c21 ZINC001171191825 1137298518 /nfs/dbraw/zinc/29/85/18/1137298518.db2.gz GICCIASQRWLADM-SJCJKPOMSA-N 0 3 328.362 3.881 20 30 EHEDHN C#Cc1ccc(CN2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001144568387 1137311234 /nfs/dbraw/zinc/31/12/34/1137311234.db2.gz SYKFDYLXDJTAKV-OAQYLSRUSA-N 0 3 340.467 3.643 20 30 EHEDHN C#Cc1ccc(CN2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001144568114 1137311489 /nfs/dbraw/zinc/31/14/89/1137311489.db2.gz LPLGCEUYGQLPRZ-NRFANRHFSA-N 0 3 340.467 3.643 20 30 EHEDHN CCc1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000121674149 1137381089 /nfs/dbraw/zinc/38/10/89/1137381089.db2.gz DALUGPXTLCMOLL-BEFAXECRSA-N 0 3 340.467 3.900 20 30 EHEDHN C#CCOc1ccccc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000772988588 1137420353 /nfs/dbraw/zinc/42/03/53/1137420353.db2.gz ROTQFLYUOJSGFN-NQIIRXRSSA-N 0 3 335.447 3.956 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)CCC#N)cc1 ZINC001148912671 1137437742 /nfs/dbraw/zinc/43/77/42/1137437742.db2.gz WVZGREKRHCWNTG-IBGZPJMESA-N 0 3 339.483 3.648 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)c1ccco1 ZINC000348219743 1137453346 /nfs/dbraw/zinc/45/33/46/1137453346.db2.gz DGELZUZAWNBCTI-PBHICJAKSA-N 0 3 340.427 3.597 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CC2)CC12CCCCC2 ZINC001172048727 1137529614 /nfs/dbraw/zinc/52/96/14/1137529614.db2.gz JWGLUSXBJNNUMC-INIZCTEOSA-N 0 3 347.503 3.982 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001172305423 1137545432 /nfs/dbraw/zinc/54/54/32/1137545432.db2.gz DJBCVQHYJCUBAI-KSSFIOAISA-N 0 3 342.389 3.921 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001172308177 1137545690 /nfs/dbraw/zinc/54/56/90/1137545690.db2.gz IXTIVSAMWQZJRF-WMLDXEAASA-N 0 3 330.428 3.515 20 30 EHEDHN CCCCCCC[C@@H](CC)n1nc(C(=O)NC(C)C)c2c1CCNC2 ZINC001172356177 1137554201 /nfs/dbraw/zinc/55/42/01/1137554201.db2.gz UVSJXNXTFYJXHK-MRXNPFEDSA-N 0 3 348.535 3.979 20 30 EHEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccccc1-c1ccccc1C#N ZINC000874849422 1137624645 /nfs/dbraw/zinc/62/46/45/1137624645.db2.gz XYXIJCCVQAMNDP-LEWJYISDSA-N 0 3 345.446 3.534 20 30 EHEDHN N#CC1(c2ccccc2)CCN(Cc2ccccc2-n2cccn2)CC1 ZINC001137093387 1137637476 /nfs/dbraw/zinc/63/74/76/1137637476.db2.gz AREQSDTUJDCLGT-UHFFFAOYSA-N 0 3 342.446 3.930 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000876623403 1137657464 /nfs/dbraw/zinc/65/74/64/1137657464.db2.gz HBQRPYAEIQRQOS-KRWDZBQOSA-N 0 3 336.863 3.944 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000876646297 1137658092 /nfs/dbraw/zinc/65/80/92/1137658092.db2.gz UDCDBHONZAQWPP-DOMZBBRYSA-N 0 3 326.893 3.834 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000876676591 1137658747 /nfs/dbraw/zinc/65/87/47/1137658747.db2.gz RHZILJNOPSRHPM-ZDUSSCGKSA-N 0 3 326.893 3.536 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000876697282 1137659320 /nfs/dbraw/zinc/65/93/20/1137659320.db2.gz RMIUTAUWORWART-YGRLFVJLSA-N 0 3 348.796 3.785 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(-c2nccn2CCCC)c1 ZINC000876775479 1137661048 /nfs/dbraw/zinc/66/10/48/1137661048.db2.gz WOGKIQHWQLYHTH-INIZCTEOSA-N 0 3 346.862 3.759 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000876885238 1137664527 /nfs/dbraw/zinc/66/45/27/1137664527.db2.gz JUOCYNSWDJSDNC-HUUCEWRRSA-N 0 3 327.255 3.864 20 30 EHEDHN CN(CCCCNCc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876958838 1137666297 /nfs/dbraw/zinc/66/62/97/1137666297.db2.gz LOHMZLFIXNAGDL-UHFFFAOYSA-N 0 3 328.847 3.613 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(SC)c(Br)c1 ZINC000876993169 1137667108 /nfs/dbraw/zinc/66/71/08/1137667108.db2.gz WYASOPPOYJHPSQ-SNVBAGLBSA-N 0 3 349.681 3.579 20 30 EHEDHN C[C@H](NCc1cc(C#N)cnc1Cl)[C@@H]1Oc2ccccc2[C@H]1C ZINC000877076715 1137669520 /nfs/dbraw/zinc/66/95/20/1137669520.db2.gz PSJISKLSWBFILV-BWACUDIHSA-N 0 3 327.815 3.649 20 30 EHEDHN N#Cc1ccc(OC2CCC(NCc3nc(Cl)cs3)CC2)nc1 ZINC000877118681 1137670559 /nfs/dbraw/zinc/67/05/59/1137670559.db2.gz JSIJJFLKVZWCGS-UHFFFAOYSA-N 0 3 348.859 3.543 20 30 EHEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000877376125 1137675044 /nfs/dbraw/zinc/67/50/44/1137675044.db2.gz BCDYWBOQAUISQC-IRXDYDNUSA-N 0 3 327.815 3.617 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001137121515 1137678861 /nfs/dbraw/zinc/67/88/61/1137678861.db2.gz OUXLFXPHUHVHHE-OAQYLSRUSA-N 0 3 347.418 3.504 20 30 EHEDHN C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1[O-] ZINC000877757076 1137688336 /nfs/dbraw/zinc/68/83/36/1137688336.db2.gz FKCKIVRRWHHCBK-INIZCTEOSA-N 0 3 335.451 3.579 20 30 EHEDHN C=CCC1(NCc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCCC1 ZINC000878954121 1137733428 /nfs/dbraw/zinc/73/34/28/1137733428.db2.gz RPCNNYZPIPMUIW-UHFFFAOYSA-N 0 3 328.372 3.623 20 30 EHEDHN N#CCOc1ccc(CN2CCC(Nc3ccccc3C#N)CC2)cc1 ZINC000878963295 1137733720 /nfs/dbraw/zinc/73/37/20/1137733720.db2.gz CUYJTJSHTMZZRX-UHFFFAOYSA-N 0 3 346.434 3.537 20 30 EHEDHN N#CCOc1ccc(Cl)cc1CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000879086706 1137737337 /nfs/dbraw/zinc/73/73/37/1137737337.db2.gz ATXZBODSSAVCJJ-MJGOQNOKSA-N 0 3 342.826 3.862 20 30 EHEDHN C[C@H](CC1CCCCC1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000114617843 1137784844 /nfs/dbraw/zinc/78/48/44/1137784844.db2.gz OHNULBBJIKALFB-CRAIPNDOSA-N 0 3 326.440 3.618 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000888908124 1137824400 /nfs/dbraw/zinc/82/44/00/1137824400.db2.gz UXODLUXQKZBPDV-CTNGQTDRSA-N 0 3 338.495 3.564 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000106039493 1137882473 /nfs/dbraw/zinc/88/24/73/1137882473.db2.gz AOSRNCYEUBHZHS-UHFFFAOYSA-N 0 3 327.255 3.764 20 30 EHEDHN N#CC1(C[C@H](O)CN2CCC(=Cc3cccc(F)c3)CC2)CCC1 ZINC000886076973 1138038657 /nfs/dbraw/zinc/03/86/57/1138038657.db2.gz UQVONIVRXVIVTG-IBGZPJMESA-N 0 3 328.431 3.750 20 30 EHEDHN C#CCC1(NCc2cc(Cl)cc(Cl)c2OC)CCOCC1 ZINC000886381963 1138072820 /nfs/dbraw/zinc/07/28/20/1138072820.db2.gz ZQYCAAFEBQZZJK-UHFFFAOYSA-N 0 3 328.239 3.664 20 30 EHEDHN Cc1nc(C2CCN(Cc3ccc(C#N)cc3Cl)CC2)[nH]c1C ZINC000886661366 1138110312 /nfs/dbraw/zinc/11/03/12/1138110312.db2.gz SPGZYDQLQDEWHR-UHFFFAOYSA-N 0 3 328.847 3.931 20 30 EHEDHN C=CCn1c(S[C@@H]2CCN(Cc3ccccc3)C2)nnc1C1CC1 ZINC000283000020 1138490839 /nfs/dbraw/zinc/49/08/39/1138490839.db2.gz KUDGENIAGULWNF-QGZVFWFLSA-N 0 3 340.496 3.708 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccccc2)CC1 ZINC000264423747 1138510210 /nfs/dbraw/zinc/51/02/10/1138510210.db2.gz XSPHCPMQKXYHCX-IBGZPJMESA-N 0 3 327.472 3.574 20 30 EHEDHN C=CCN1CCC(NC(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000264527169 1138547766 /nfs/dbraw/zinc/54/77/66/1138547766.db2.gz ZABAAFNWNWVZNB-UHFFFAOYSA-N 0 3 338.904 3.589 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(N3CCCCC3)nc2)cc1 ZINC000264977712 1138692997 /nfs/dbraw/zinc/69/29/97/1138692997.db2.gz SWCOPIBWKBAMLO-UHFFFAOYSA-N 0 3 349.478 3.764 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2ccc(Cl)s2)CC1 ZINC000265165859 1138752398 /nfs/dbraw/zinc/75/23/98/1138752398.db2.gz VDNJGGDOUXRPBQ-CYBMUJFWSA-N 0 3 341.908 3.802 20 30 EHEDHN CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(C#N)cc3)ccc2NC1=O ZINC000174139726 1139401343 /nfs/dbraw/zinc/40/13/43/1139401343.db2.gz XSPDKOPWONIROB-UGSOOPFHSA-N 0 3 335.407 3.519 20 30 EHEDHN N#Cc1ccc(CNC2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000174250058 1139408788 /nfs/dbraw/zinc/40/87/88/1139408788.db2.gz NDJSTPUCSAHZEO-UHFFFAOYSA-N 0 3 329.831 3.559 20 30 EHEDHN COCc1cccc(CN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000179211601 1139742947 /nfs/dbraw/zinc/74/29/47/1139742947.db2.gz GAJPZGSZGQTWQA-UHFFFAOYSA-N 0 3 336.435 3.748 20 30 EHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181270921 1139897363 /nfs/dbraw/zinc/89/73/63/1139897363.db2.gz BDQSCTXAZFDYGA-ZDUSSCGKSA-N 0 3 339.370 3.505 20 30 EHEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cccc(F)c1F ZINC000181999757 1139944901 /nfs/dbraw/zinc/94/49/01/1139944901.db2.gz DZBFKFAWWXBPFI-LBPRGKRZSA-N 0 3 332.350 3.575 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000186329232 1140198010 /nfs/dbraw/zinc/19/80/10/1140198010.db2.gz YMZRKAVPWQATID-QGZVFWFLSA-N 0 3 339.483 3.590 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc3oc(C)c(C)c3c2)CC1 ZINC000186446131 1140204645 /nfs/dbraw/zinc/20/46/45/1140204645.db2.gz VTCHCZKFBCBVDS-UHFFFAOYSA-N 0 3 327.428 3.822 20 30 EHEDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C)cc1 ZINC000190627191 1140412042 /nfs/dbraw/zinc/41/20/42/1140412042.db2.gz VKERYGATKRKGEC-LEWJYISDSA-N 0 3 347.462 3.709 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192747948 1140549031 /nfs/dbraw/zinc/54/90/31/1140549031.db2.gz MUBNHDSHVPMYNG-WSTZPKSXSA-N 0 3 344.499 3.557 20 30 EHEDHN C#CC[C@@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)c1ccccc1 ZINC000271569240 1141399330 /nfs/dbraw/zinc/39/93/30/1141399330.db2.gz VMKCWQHHVMRHIA-PGRDOPGGSA-N 0 3 334.463 3.938 20 30 EHEDHN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000278701658 1032059400 /nfs/dbraw/zinc/05/94/00/1032059400.db2.gz LAVQYIDAWNSDHQ-MRXNPFEDSA-N 0 3 325.368 3.716 20 30 EHEDHN N#CC(C(=O)C=Cc1cc(Br)ccc1F)c1ccccn1 ZINC000049456405 1014180011 /nfs/dbraw/zinc/18/00/11/1014180011.db2.gz JAWRBGBUIQMCDI-IRBQFCFKSA-N 0 3 345.171 3.873 20 30 EHEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(-c4ccccc4)o3)C2)nc1 ZINC000430181104 1014622459 /nfs/dbraw/zinc/62/24/59/1014622459.db2.gz SKYUNKNQJYDPSN-LJQANCHMSA-N 0 3 345.402 3.867 20 30 EHEDHN Cc1ccc(C(C)(C)CN(C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000536675877 1032115484 /nfs/dbraw/zinc/11/54/84/1032115484.db2.gz DRBMIRVFFVHSCM-UHFFFAOYSA-N 0 3 332.451 3.924 20 30 EHEDHN Cc1ccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)N(C)C)cc1 ZINC000255006662 1015504628 /nfs/dbraw/zinc/50/46/28/1015504628.db2.gz QOPABFZKVUFVOI-ZWAQGKOVSA-N 0 3 333.435 3.971 20 30 EHEDHN C=CCCCN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OCC ZINC001209163397 1015877857 /nfs/dbraw/zinc/87/78/57/1015877857.db2.gz DNDYYTJARWKUFI-KRWDZBQOSA-N 0 3 347.455 3.522 20 30 EHEDHN COc1ccc([C@H](CNc2cc(C#N)ccn2)N2CCCCC2)cc1 ZINC000339966996 1016083934 /nfs/dbraw/zinc/08/39/34/1016083934.db2.gz DCZPQHISIHUXMX-IBGZPJMESA-N 0 3 336.439 3.601 20 30 EHEDHN Cc1cccc2c1ncc(C#N)c2NC[C@@H](c1cccc(F)c1)N(C)C ZINC000610246773 1016131911 /nfs/dbraw/zinc/13/19/11/1016131911.db2.gz ZCENOSFOYLCXDI-IBGZPJMESA-N 0 3 348.425 3.691 20 30 EHEDHN C=C[C@H](C)NCc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000153702756 1016332560 /nfs/dbraw/zinc/33/25/60/1016332560.db2.gz VTHMHGMAAFQOSL-HNNXBMFYSA-N 0 3 327.424 3.947 20 30 EHEDHN N#CCCn1cc(C(=O)CN2C[C@@H]3CCCC[C@@H]3C2)c2ccccc21 ZINC000177559900 1016370353 /nfs/dbraw/zinc/37/03/53/1016370353.db2.gz WHFHSZYMCPJGSV-CALCHBBNSA-N 0 3 335.451 3.860 20 30 EHEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000538146229 1032188059 /nfs/dbraw/zinc/18/80/59/1032188059.db2.gz XYJUAPVVZGIYIN-ZDUSSCGKSA-N 0 3 332.350 3.889 20 30 EHEDHN N#Cc1ccccc1OC[C@H](O)CN1CCCCC[C@@H]1c1ccco1 ZINC000528391390 1032215963 /nfs/dbraw/zinc/21/59/63/1032215963.db2.gz ZCUHZQYWPWUUCB-QZTJIDSGSA-N 0 3 340.423 3.508 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC2(CC1)OCCc1ccccc12 ZINC000459512642 1032236561 /nfs/dbraw/zinc/23/65/61/1032236561.db2.gz FMSFPODXKFIDHP-UHFFFAOYSA-N 0 3 348.446 3.631 20 30 EHEDHN CCOC[C@H]1CCCCN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000459676831 1032405616 /nfs/dbraw/zinc/40/56/16/1032405616.db2.gz OUISRWNKMDDAGI-GOSISDBHSA-N 0 3 346.471 3.769 20 30 EHEDHN C=C(C)COc1cc(CN2CC[C@@H](OCC)[C@@H](C)C2)ccc1OC ZINC000449502822 1032682554 /nfs/dbraw/zinc/68/25/54/1032682554.db2.gz XBMYEHQVCTYGLE-FUHWJXTLSA-N 0 3 333.472 3.897 20 30 EHEDHN N#Cc1ccc(CNCCOc2ccc(Br)cc2)s1 ZINC000176963345 1017538503 /nfs/dbraw/zinc/53/85/03/1017538503.db2.gz CRCLIYQIOHSASI-UHFFFAOYSA-N 0 3 337.242 3.551 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000471433183 1017677322 /nfs/dbraw/zinc/67/73/22/1017677322.db2.gz XZFPXYZHPKBSKI-SFHVURJKSA-N 0 3 336.435 3.596 20 30 EHEDHN N#Cc1c(NC(=O)CNC2(C3CCC3)CC2)sc2c1CCCCC2 ZINC000593081903 1032753608 /nfs/dbraw/zinc/75/36/08/1032753608.db2.gz UAGRVTGEUMVCCY-UHFFFAOYSA-N 0 3 343.496 3.749 20 30 EHEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(NC(=O)C2CC2)cc1 ZINC000177683136 1018460577 /nfs/dbraw/zinc/46/05/77/1018460577.db2.gz RHUJHEWNGYOGPS-GFCCVEGCSA-N 0 3 325.437 3.819 20 30 EHEDHN N#CCOc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000729267085 1019254273 /nfs/dbraw/zinc/25/42/73/1019254273.db2.gz IZHJJNUCHQWRTE-NRFANRHFSA-N 0 3 336.435 3.535 20 30 EHEDHN N#CC(C(=O)CCc1ccoc1)c1nc2ccccc2n1C(F)F ZINC000175947589 1019389493 /nfs/dbraw/zinc/38/94/93/1019389493.db2.gz WIZMWXZIJQYWKP-GFCCVEGCSA-N 0 3 329.306 3.833 20 30 EHEDHN CCCCCCCCN1CC2(C[C@@H]2C(=O)N2CC(F)(C3CC3)C2)C1 ZINC001279870902 1019754601 /nfs/dbraw/zinc/75/46/01/1019754601.db2.gz NOXZGDNXWFSFTI-QGZVFWFLSA-N 0 3 336.495 3.629 20 30 EHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccoc1)c1ccc2ccccc2n1 ZINC000684009213 1019797798 /nfs/dbraw/zinc/79/77/98/1019797798.db2.gz APJFRIXWWULYGV-CQSZACIVSA-N 0 3 328.331 3.708 20 30 EHEDHN C=C(C)[C@H](CC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21)OCC ZINC000280081756 1020069241 /nfs/dbraw/zinc/06/92/41/1020069241.db2.gz VYWIMGACDGFYEO-IHPCNDPISA-N 0 3 342.483 3.501 20 30 EHEDHN C=CCCN(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000672555613 1020072321 /nfs/dbraw/zinc/07/23/21/1020072321.db2.gz ZWJWDUGAPSSBKW-QGZVFWFLSA-N 0 3 337.895 3.940 20 30 EHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345302865 1020140806 /nfs/dbraw/zinc/14/08/06/1020140806.db2.gz SLPPZTDSZXRCBT-KFWWJZLASA-N 0 3 346.500 3.543 20 30 EHEDHN Cc1nsc(NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1C#N ZINC000340956202 1020678132 /nfs/dbraw/zinc/67/81/32/1020678132.db2.gz JWOSDSBSPIHOTG-QGZVFWFLSA-N 0 3 344.484 3.825 20 30 EHEDHN Cn1cc(CN2CCC[C@H](c3nc4ccccc4s3)C2)cc1C#N ZINC000581345448 1020718680 /nfs/dbraw/zinc/71/86/80/1020718680.db2.gz VNIPFFGGUDHUMV-HNNXBMFYSA-N 0 3 336.464 3.886 20 30 EHEDHN COc1cc(C[NH2+]CC(C)(C)CCC#N)cc(Br)c1[O-] ZINC000341253348 1021194991 /nfs/dbraw/zinc/19/49/91/1021194991.db2.gz BYKNMMQVSZERQI-UHFFFAOYSA-N 0 3 341.249 3.583 20 30 EHEDHN CC[C@@H](NCc1cc2ccccc2n(C)c1=O)c1ccc(C#N)cc1 ZINC000426317906 1021240098 /nfs/dbraw/zinc/24/00/98/1021240098.db2.gz OPYBFBNFNOGXHV-LJQANCHMSA-N 0 3 331.419 3.651 20 30 EHEDHN N#Cc1csc(CN(Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000426375678 1021411552 /nfs/dbraw/zinc/41/15/52/1021411552.db2.gz GHXSDQQQKODOAX-UHFFFAOYSA-N 0 3 330.428 3.940 20 30 EHEDHN N#Cc1cccc(OCCN2CCC(OCc3ccccc3)CC2)c1 ZINC000051181931 1021588598 /nfs/dbraw/zinc/58/85/98/1021588598.db2.gz JBZNQHLKHQZYEW-UHFFFAOYSA-N 0 3 336.435 3.618 20 30 EHEDHN CCC[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000341546939 1022239565 /nfs/dbraw/zinc/23/95/65/1022239565.db2.gz NHBKTRNLXAIMGI-QZTJIDSGSA-N 0 3 327.472 3.834 20 30 EHEDHN O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccc(F)c(Cl)c1 ZINC000328908880 1022541908 /nfs/dbraw/zinc/54/19/08/1022541908.db2.gz MJZKZQCYOKXSEJ-CZUORRHYSA-N 0 3 339.798 3.554 20 30 EHEDHN N#Cc1ccccc1-c1ccc(CN2CCSC[C@@H]2CCO)cc1 ZINC000438651451 1022900814 /nfs/dbraw/zinc/90/08/14/1022900814.db2.gz NCXAVPWZTLMDNA-IBGZPJMESA-N 0 3 338.476 3.525 20 30 EHEDHN Cn1c(CNC2(c3cccc(C#N)c3)CCOCC2)cc2ccccc21 ZINC000602718100 1033105057 /nfs/dbraw/zinc/10/50/57/1033105057.db2.gz QAWJUEJNYYHOHM-UHFFFAOYSA-N 0 3 345.446 3.845 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)CC1 ZINC000507182396 1023167510 /nfs/dbraw/zinc/16/75/10/1023167510.db2.gz PMCMLUJCHYRGNH-LIRRHRJNSA-N 0 3 347.890 3.525 20 30 EHEDHN CC[C@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C(C)C ZINC000518288678 1023197723 /nfs/dbraw/zinc/19/77/23/1023197723.db2.gz OTHSNNLOWYYQBE-LJQANCHMSA-N 0 3 329.488 3.521 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000664865451 1023233796 /nfs/dbraw/zinc/23/37/96/1023233796.db2.gz JELACESSIHNJOW-OQIJWPOYSA-N 0 3 327.472 3.570 20 30 EHEDHN N#CC1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000057879076 1023297464 /nfs/dbraw/zinc/29/74/64/1023297464.db2.gz YLTWUSDBXHTVLA-UHFFFAOYSA-N 0 3 326.227 3.558 20 30 EHEDHN N#CCC1(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CC1 ZINC000602772005 1033151569 /nfs/dbraw/zinc/15/15/69/1033151569.db2.gz FJGQHUZYDANPSD-QGZVFWFLSA-N 0 3 343.858 3.782 20 30 EHEDHN C=CCC[C@H](NCc1cc(=O)n2c(C)cccc2n1)c1ccccc1 ZINC000341951992 1023717574 /nfs/dbraw/zinc/71/75/74/1023717574.db2.gz ZPPUJJUWAAHMTR-IBGZPJMESA-N 0 3 333.435 3.800 20 30 EHEDHN CC(C)C[C@@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000342061445 1023811588 /nfs/dbraw/zinc/81/15/88/1023811588.db2.gz TZAKDNXNRSXOPC-IBGZPJMESA-N 0 3 327.472 3.834 20 30 EHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccoc1)c1nccc2ccccc21 ZINC000434644817 1024235158 /nfs/dbraw/zinc/23/51/58/1024235158.db2.gz HKCDJUQZHHNHKZ-OAHLLOKOSA-N 0 3 328.331 3.708 20 30 EHEDHN CCN(CC)[C@H](CNc1c(C#N)cccc1[N+](=O)[O-])c1ccco1 ZINC000425215113 1024447441 /nfs/dbraw/zinc/44/74/41/1024447441.db2.gz MABPEBKVLVQYFA-OAHLLOKOSA-N 0 3 328.372 3.554 20 30 EHEDHN Cc1ccc(C)c([C@H]2CCCN2CC(=O)NCc2cccc(C#N)c2)c1 ZINC000474235067 1024623867 /nfs/dbraw/zinc/62/38/67/1024623867.db2.gz BRUMZXXWJOPPKF-OAQYLSRUSA-N 0 3 347.462 3.628 20 30 EHEDHN C=C(C)[C@@H](CC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21)OCC ZINC000281129632 1024682276 /nfs/dbraw/zinc/68/22/76/1024682276.db2.gz VYWIMGACDGFYEO-MISYRCLQSA-N 0 3 342.483 3.501 20 30 EHEDHN N#Cc1ccc([C@H](NC[C@@H]2CCCC[C@@H]2c2ccccc2)C(N)=O)cc1 ZINC000514824551 1024768245 /nfs/dbraw/zinc/76/82/45/1024768245.db2.gz MUAFNUCILXJVOP-HBMCJLEFSA-N 0 3 347.462 3.648 20 30 EHEDHN N#Cc1ccccc1N1CCC([NH2+]Cc2cc([O-])cc(Cl)c2)CC1 ZINC000895744811 1024782108 /nfs/dbraw/zinc/78/21/08/1024782108.db2.gz IYWQLXWHPJEPSA-UHFFFAOYSA-N 0 3 341.842 3.676 20 30 EHEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1cc2ccccc2s1 ZINC000346488642 1024798792 /nfs/dbraw/zinc/79/87/92/1024798792.db2.gz HOPIGYYNMKVYJF-OLZOCXBDSA-N 0 3 327.453 3.503 20 30 EHEDHN N#CC1(CCCN[C@@H](c2ccccc2)c2ccccn2)CCOCC1 ZINC000366857094 1024889278 /nfs/dbraw/zinc/88/92/78/1024889278.db2.gz ZXAZETNGVASKAF-FQEVSTJZSA-N 0 3 335.451 3.861 20 30 EHEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCOc1cccc(C#N)c1 ZINC000157539466 1024947377 /nfs/dbraw/zinc/94/73/77/1024947377.db2.gz LLCCDCFHIKDUQX-CQSZACIVSA-N 0 3 326.444 3.548 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000281498223 1025113132 /nfs/dbraw/zinc/11/31/32/1025113132.db2.gz WLXJBEMVUDDOCS-GOSISDBHSA-N 0 3 329.488 3.647 20 30 EHEDHN COc1ccc(C2(NCc3cccc(C#N)c3)CCOCC2)cc1F ZINC000444013813 1025182901 /nfs/dbraw/zinc/18/29/01/1025182901.db2.gz GGYFYEQWKRTOFI-UHFFFAOYSA-N 0 3 340.398 3.501 20 30 EHEDHN C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000281739950 1025439127 /nfs/dbraw/zinc/43/91/27/1025439127.db2.gz YMCJIYXEGRMNCD-OXJNMPFZSA-N 0 3 349.478 3.909 20 30 EHEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@H](Cc2nccs2)C1 ZINC000896527877 1025512876 /nfs/dbraw/zinc/51/28/76/1025512876.db2.gz JFAMUBBDDMRHPO-MRXNPFEDSA-N 0 3 340.496 3.535 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000178547788 1025561984 /nfs/dbraw/zinc/56/19/84/1025561984.db2.gz HTCABCAEQWORIS-FQEVSTJZSA-N 0 3 348.450 3.825 20 30 EHEDHN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1CCOCC(F)(F)C(F)F ZINC000451149391 1025602672 /nfs/dbraw/zinc/60/26/72/1025602672.db2.gz SXAXWUOGIOQPJL-AEJSXWLSSA-N 0 3 339.295 3.955 20 30 EHEDHN Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cnn1C1CCCCC1 ZINC000329310831 1025744077 /nfs/dbraw/zinc/74/40/77/1025744077.db2.gz FYZWWZSPWMTMRN-UKRRQHHQSA-N 0 3 330.476 3.627 20 30 EHEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000329451377 1025866118 /nfs/dbraw/zinc/86/61/18/1025866118.db2.gz CRCBWHQKFIEZSF-OKILXGFUSA-N 0 3 332.444 3.522 20 30 EHEDHN C[C@H]1C[C@@H](C(F)(F)F)CCN1CCC(=O)Nc1sccc1C#N ZINC000451422247 1025959854 /nfs/dbraw/zinc/95/98/54/1025959854.db2.gz TYTOENBVTZFAIP-JQWIXIFHSA-N 0 3 345.390 3.611 20 30 EHEDHN CC(C)Oc1ccc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1C#N ZINC000444250930 1025972506 /nfs/dbraw/zinc/97/25/06/1025972506.db2.gz LGHCDJKURJWCHI-KKUMJFAQSA-N 0 3 329.444 3.545 20 30 EHEDHN COc1ccc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1C#N ZINC000119799998 1025991924 /nfs/dbraw/zinc/99/19/24/1025991924.db2.gz TYLZEUBKZZKVNE-HNNXBMFYSA-N 0 3 346.434 3.912 20 30 EHEDHN C=C(C)COc1cc(CN2CCC(O)(C3CCC3)CC2)ccc1OC ZINC000897035497 1026255581 /nfs/dbraw/zinc/25/55/81/1026255581.db2.gz ULJCFXHXUYMWHK-UHFFFAOYSA-N 0 3 345.483 3.777 20 30 EHEDHN N#Cc1cccc(NC(=O)CCN2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000342559580 1026277307 /nfs/dbraw/zinc/27/73/07/1026277307.db2.gz ZCTONWRZGYFBLO-UHFFFAOYSA-N 0 3 349.409 3.815 20 30 EHEDHN C#Cc1ccc(CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000897265940 1026611976 /nfs/dbraw/zinc/61/19/76/1026611976.db2.gz VQFLIALDGDPSKU-FQEVSTJZSA-N 0 3 333.431 3.519 20 30 EHEDHN N#CC(C(=O)CCCOCCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000048813573 1026906781 /nfs/dbraw/zinc/90/67/81/1026906781.db2.gz IHBLVFKAGIIWQK-QGZVFWFLSA-N 0 3 347.418 3.779 20 30 EHEDHN CCN(Cc1ccc(C#N)cc1OC)[C@@H](COC)Cc1ccccc1 ZINC000501207041 1027135344 /nfs/dbraw/zinc/13/53/44/1027135344.db2.gz GADVALXVGGVQNI-HXUWFJFHSA-N 0 3 338.451 3.646 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248753657 1027167204 /nfs/dbraw/zinc/16/72/04/1027167204.db2.gz GAKUILGOAUBHDT-QRWLVFNGSA-N 0 3 348.450 3.509 20 30 EHEDHN CCCN(CC(=O)N(CC)C[C@@H](C)C#N)[C@@H](CC)c1ccccc1 ZINC000531841392 1027506725 /nfs/dbraw/zinc/50/67/25/1027506725.db2.gz PJIBAAQDULRNLA-HKUYNNGSSA-N 0 3 329.488 3.858 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000533429491 1027862041 /nfs/dbraw/zinc/86/20/41/1027862041.db2.gz CFINZYXPPRBWJR-QRQLOZEOSA-N 0 3 339.483 3.526 20 30 EHEDHN C=CCCC[C@H](C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000091506836 1028262070 /nfs/dbraw/zinc/26/20/70/1028262070.db2.gz NDRNFIPCADWVCF-INIZCTEOSA-N 0 3 349.906 3.641 20 30 EHEDHN C=CCCC[C@@H](C)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000091518408 1028372893 /nfs/dbraw/zinc/37/28/93/1028372893.db2.gz VJMMFZIPTCHVSV-GOSISDBHSA-N 0 3 343.515 3.604 20 30 EHEDHN Clc1ccc(C[C@@]2(NCC#Cc3ccccc3)CCOC2)cc1 ZINC000502604103 1028426522 /nfs/dbraw/zinc/42/65/22/1028426522.db2.gz ZHCHYYWYQZGCOU-FQEVSTJZSA-N 0 3 325.839 3.683 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)Cc2ccc(Cl)cc2)CC1 ZINC000523926313 1028720818 /nfs/dbraw/zinc/72/08/18/1028720818.db2.gz KPWKKOQBKUHJHU-KRWDZBQOSA-N 0 3 349.906 3.611 20 30 EHEDHN CCN(CCC#N)C(=O)CN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000245482481 1028729367 /nfs/dbraw/zinc/72/93/67/1028729367.db2.gz ZIGWWKFJGIMCJW-GJZGRUSLSA-N 0 3 335.879 3.526 20 30 EHEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000424114378 1028809774 /nfs/dbraw/zinc/80/97/74/1028809774.db2.gz QSRTXECUZAOARQ-BEFAXECRSA-N 0 3 337.423 3.677 20 30 EHEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000424113638 1028810698 /nfs/dbraw/zinc/81/06/98/1028810698.db2.gz NTGDRFYTJVRVAA-FQEVSTJZSA-N 0 3 335.451 3.822 20 30 EHEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000424137117 1028824617 /nfs/dbraw/zinc/82/46/17/1028824617.db2.gz LKSNECOLMHZOBS-IRXDYDNUSA-N 0 3 333.863 3.709 20 30 EHEDHN N#Cc1ccc(N2CCC(N[C@@H]3C[C@@]3(F)c3ccccc3)CC2)cc1 ZINC000424184576 1028854706 /nfs/dbraw/zinc/85/47/06/1028854706.db2.gz MWRWBFPDBMKTPM-NHCUHLMSSA-N 0 3 335.426 3.754 20 30 EHEDHN N#Cc1ccc(N2CCC(N[C@H]3C[C@]3(F)c3ccccc3)CC2)cc1 ZINC000424184581 1028855706 /nfs/dbraw/zinc/85/57/06/1028855706.db2.gz MWRWBFPDBMKTPM-SFTDATJTSA-N 0 3 335.426 3.754 20 30 EHEDHN CC(C)[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000424168677 1028867782 /nfs/dbraw/zinc/86/77/82/1028867782.db2.gz IRYYSKFFCNENKS-CABCVRRESA-N 0 3 341.377 3.540 20 30 EHEDHN CC[C@@H]1CN(C)c2ccccc2CN1Cc1ccc(C#N)cc1OC ZINC001167654046 1028921555 /nfs/dbraw/zinc/92/15/55/1028921555.db2.gz VOFXLYSLJKWMMV-LJQANCHMSA-N 0 3 335.451 3.797 20 30 EHEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2c2ccc(OC(C)C)cc2)nn1 ZINC000424290053 1028934582 /nfs/dbraw/zinc/93/45/82/1028934582.db2.gz AUYPBPKSGVCMOB-VQTJNVASSA-N 0 3 340.471 3.677 20 30 EHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cc(C)c(OC)c(C)c1 ZINC000508540197 1029071051 /nfs/dbraw/zinc/07/10/51/1029071051.db2.gz BJGPJUHQZPABNV-UHFFFAOYSA-N 0 3 338.451 3.832 20 30 EHEDHN C=CCN(CC=C)C(=O)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000533020433 1029203298 /nfs/dbraw/zinc/20/32/98/1029203298.db2.gz GIGMGINDDPJJNI-OAQYLSRUSA-N 0 3 334.463 3.761 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H](C)C(C)(C)C)c1C ZINC000533250355 1029528608 /nfs/dbraw/zinc/52/86/08/1029528608.db2.gz AUTFKJCXTIBGON-KRWDZBQOSA-N 0 3 329.488 3.917 20 30 EHEDHN N#Cc1cccc(OCCN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000533342563 1029638589 /nfs/dbraw/zinc/63/85/89/1029638589.db2.gz UUVWLQKLSQQJPK-UHFFFAOYSA-N 0 3 344.418 3.603 20 30 EHEDHN CC[C@@H](CN(CC)CC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000481746686 1029892677 /nfs/dbraw/zinc/89/26/77/1029892677.db2.gz SUGIISYLVWUAKS-ROUUACIJSA-N 0 3 329.488 3.510 20 30 EHEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000481765246 1029932312 /nfs/dbraw/zinc/93/23/12/1029932312.db2.gz IXMPCDARWROILF-RDJZCZTQSA-N 0 3 338.398 3.843 20 30 EHEDHN C=CCOc1ccc(CN2CCC(Oc3ccncc3C)CC2)cc1 ZINC000447103528 1029939986 /nfs/dbraw/zinc/93/99/86/1029939986.db2.gz WYLGTFJMWZHDTA-UHFFFAOYSA-N 0 3 338.451 3.998 20 30 EHEDHN N#CC1(NC(=O)CN[C@H](c2cccc(Cl)c2)C2CCCC2)CCC1 ZINC000525886523 1030204299 /nfs/dbraw/zinc/20/42/99/1030204299.db2.gz LHIBQXWIFLAWIX-SFHVURJKSA-N 0 3 345.874 3.723 20 30 EHEDHN CN(Cc1ccc(C#N)o1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000092475007 1030457957 /nfs/dbraw/zinc/45/79/57/1030457957.db2.gz OWZMQFVWOOTJLY-YIONKMFJSA-N 0 3 345.443 3.514 20 30 EHEDHN N#CC1(NC(=O)CN2CCC[C@H]2c2cccc3ccccc32)CCC1 ZINC000527128034 1030652465 /nfs/dbraw/zinc/65/24/65/1030652465.db2.gz ZZANCGVRVCBVKR-IBGZPJMESA-N 0 3 333.435 3.539 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448030340 1030685647 /nfs/dbraw/zinc/68/56/47/1030685647.db2.gz LMASYADMRVUZKW-MRXNPFEDSA-N 0 3 335.517 3.566 20 30 EHEDHN N#Cc1ccc(CN2CCCN([C@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000482827410 1030739001 /nfs/dbraw/zinc/73/90/01/1030739001.db2.gz TVGLFVBXPMYKNV-QFIPXVFZSA-N 0 3 349.453 3.893 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCC)c2ccccc2)CC1 ZINC000171553154 1030795028 /nfs/dbraw/zinc/79/50/28/1030795028.db2.gz GYYVKQRMVUYZKK-LJQANCHMSA-N 0 3 329.488 3.868 20 30 EHEDHN C[C@@H]1[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCCN1C ZINC000343427139 1030832069 /nfs/dbraw/zinc/83/20/69/1030832069.db2.gz DIIOWOWYWMVIJJ-QRWLVFNGSA-N 0 3 349.434 3.563 20 30 EHEDHN N#Cc1ccccc1NC(=O)CCN1CC=C(c2ccc(F)cc2)CC1 ZINC000192641127 1030879528 /nfs/dbraw/zinc/87/95/28/1030879528.db2.gz KKHRSHTWSHXMSZ-UHFFFAOYSA-N 0 3 349.409 3.815 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000181093126 1031947386 /nfs/dbraw/zinc/94/73/86/1031947386.db2.gz RNIQMCSKRHALSI-INIZCTEOSA-N 0 3 333.476 3.630 20 30 EHEDHN C[C@@H](NC(=O)Nc1cccc(CC#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000455910902 1031954116 /nfs/dbraw/zinc/95/41/16/1031954116.db2.gz UQBWCIFSISXWMH-BEFAXECRSA-N 0 3 336.439 3.566 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc(CCO)cc2)cc1Cl ZINC000898172374 1033363597 /nfs/dbraw/zinc/36/35/97/1033363597.db2.gz FDHLAJCGZCEXIG-UHFFFAOYSA-N 0 3 331.843 3.729 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000594431379 1033368666 /nfs/dbraw/zinc/36/86/66/1033368666.db2.gz LIWGYHCDCDWUQR-QGZVFWFLSA-N 0 3 347.890 3.679 20 30 EHEDHN Cc1cccc(C(NC(=O)[C@H](N)CCCCC#N)c2cccc(C)c2)c1 ZINC000594434469 1033370474 /nfs/dbraw/zinc/37/04/74/1033370474.db2.gz ZODQYBBWDTUHPH-HXUWFJFHSA-N 0 3 349.478 3.920 20 30 EHEDHN CC(C)Cc1ccc([C@H](NC(=O)[C@@H](N)CCCCC#N)C2CC2)cc1 ZINC000594436588 1033373040 /nfs/dbraw/zinc/37/30/40/1033373040.db2.gz KVPXHMDLNCDDCT-PMACEKPBSA-N 0 3 341.499 3.864 20 30 EHEDHN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H](N)CCCCC#N)CCC2 ZINC000594443298 1033378546 /nfs/dbraw/zinc/37/85/46/1033378546.db2.gz OELSZLVYKAXJCB-RBUKOAKNSA-N 0 3 327.472 3.715 20 30 EHEDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594444623 1033378691 /nfs/dbraw/zinc/37/86/91/1033378691.db2.gz ADIIBGLVFMMVJO-ZIAGYGMSSA-N 0 3 336.505 3.506 20 30 EHEDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594444622 1033379183 /nfs/dbraw/zinc/37/91/83/1033379183.db2.gz ADIIBGLVFMMVJO-UONOGXRCSA-N 0 3 336.505 3.506 20 30 EHEDHN CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594456903 1033381172 /nfs/dbraw/zinc/38/11/72/1033381172.db2.gz UYRDGDNNYWVLTO-ROUUACIJSA-N 0 3 327.472 3.618 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000594426625 1033388301 /nfs/dbraw/zinc/38/83/01/1033388301.db2.gz PZCXHPOVVMAREY-LBPRGKRZSA-N 0 3 333.741 3.709 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000594427336 1033388833 /nfs/dbraw/zinc/38/88/33/1033388833.db2.gz HWYPWWVFTOSZQC-SFHVURJKSA-N 0 3 349.425 3.647 20 30 EHEDHN CC(C)(C#N)c1ccc(CNCc2ccc(OCC3CC3)nc2)cc1 ZINC000594500816 1033402096 /nfs/dbraw/zinc/40/20/96/1033402096.db2.gz BGPDINOVXSJASV-UHFFFAOYSA-N 0 3 335.451 3.961 20 30 EHEDHN CC[C@@H](N)c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603179891 1033420030 /nfs/dbraw/zinc/42/00/30/1033420030.db2.gz NZVPZXSBXIODNZ-LJQANCHMSA-N 0 3 345.450 3.588 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2csc(-c3cccs3)n2)CC1 ZINC000106037906 1033530215 /nfs/dbraw/zinc/53/02/15/1033530215.db2.gz WOUVAOQQNMHXRC-UHFFFAOYSA-N 0 3 347.509 3.642 20 30 EHEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000594922379 1033546716 /nfs/dbraw/zinc/54/67/16/1033546716.db2.gz FLJMXFXOJZXDDJ-ZDUSSCGKSA-N 0 3 332.407 3.674 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCC)Cc2ccccc2)CC1 ZINC000106270624 1033566072 /nfs/dbraw/zinc/56/60/72/1033566072.db2.gz IDWRKYLORLOPFW-FQEVSTJZSA-N 0 3 343.515 3.738 20 30 EHEDHN COC[C@@H](C)Oc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000594937891 1033586138 /nfs/dbraw/zinc/58/61/38/1033586138.db2.gz JOKDAISUBRPXOT-VFNWGFHPSA-N 0 3 336.435 3.749 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2scnc2C)cc1 ZINC000173969983 1033638230 /nfs/dbraw/zinc/63/82/30/1033638230.db2.gz WUUREYWTPGNOSW-HNNXBMFYSA-N 0 3 341.436 3.755 20 30 EHEDHN C=CCOCCN[C@@H](c1ccc(OC)cc1Br)C(C)C ZINC000685653772 1033683493 /nfs/dbraw/zinc/68/34/93/1033683493.db2.gz RCHYRGBVGTVEJT-MRXNPFEDSA-N 0 3 342.277 3.947 20 30 EHEDHN COCCN(CCOc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000063754473 1033670554 /nfs/dbraw/zinc/67/05/54/1033670554.db2.gz SWEUNXAEWCNRBQ-UHFFFAOYSA-N 0 3 344.842 3.739 20 30 EHEDHN C=CCOc1ccccc1CNCc1ccccc1Cn1ccnc1 ZINC000075758096 1033742397 /nfs/dbraw/zinc/74/23/97/1033742397.db2.gz VLSXJIMJNODONK-UHFFFAOYSA-N 0 3 333.435 3.786 20 30 EHEDHN CCC1(N2CCOCC2)CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000599183414 1033791283 /nfs/dbraw/zinc/79/12/83/1033791283.db2.gz MOHJHQOETTVUND-UHFFFAOYSA-N 0 3 349.425 3.577 20 30 EHEDHN CC(C)[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H](O)C(F)(F)F ZINC000595481131 1033826804 /nfs/dbraw/zinc/82/68/04/1033826804.db2.gz DHIPNKUOPDTFPP-GJZGRUSLSA-N 0 3 328.378 3.525 20 30 EHEDHN CC(C)(NCc1ccc(OCC(F)(F)F)nc1)c1cccc(C#N)c1 ZINC000595632868 1033909026 /nfs/dbraw/zinc/90/90/26/1033909026.db2.gz IMLALZFSDABWCA-UHFFFAOYSA-N 0 3 349.356 3.919 20 30 EHEDHN COc1ccc(CNCc2ccc(Br)cc2C)cc1C#N ZINC000174375380 1033911014 /nfs/dbraw/zinc/91/10/14/1033911014.db2.gz QZFJTUDPXDBSRM-UHFFFAOYSA-N 0 3 345.240 3.928 20 30 EHEDHN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@@H](O)CC1(C#N)CC1 ZINC000599385846 1033912772 /nfs/dbraw/zinc/91/27/72/1033912772.db2.gz PGTKJSUAPZWDKG-DZGCQCFKSA-N 0 3 326.362 3.633 20 30 EHEDHN CCN(CC)[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])c1ccco1 ZINC000450291219 1034063746 /nfs/dbraw/zinc/06/37/46/1034063746.db2.gz XXOPMLGXTGQHFG-OAHLLOKOSA-N 0 3 328.372 3.554 20 30 EHEDHN N#Cc1cccc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)c1 ZINC000599641748 1034066325 /nfs/dbraw/zinc/06/63/25/1034066325.db2.gz PQYCLZUFQJGBBF-UHFFFAOYSA-N 0 3 336.439 3.663 20 30 EHEDHN Cc1ccc([C@@H](CNc2nc3ncccc3cc2C#N)N2CCCC2)o1 ZINC000596109154 1034096519 /nfs/dbraw/zinc/09/65/19/1034096519.db2.gz GGKCZDBHXZZKCL-QGZVFWFLSA-N 0 3 347.422 3.652 20 30 EHEDHN Cc1ccc([C@H](CNc2nc3ncccc3cc2C#N)N2CCCC2)o1 ZINC000596109140 1034096829 /nfs/dbraw/zinc/09/68/29/1034096829.db2.gz GGKCZDBHXZZKCL-KRWDZBQOSA-N 0 3 347.422 3.652 20 30 EHEDHN CC[C@H](C)N[C@@H](CNc1nc2ncccc2cc1C#N)c1ccco1 ZINC000596231595 1034129793 /nfs/dbraw/zinc/12/97/93/1034129793.db2.gz QQDIIQVNBNBHMK-BBRMVZONSA-N 0 3 335.411 3.636 20 30 EHEDHN COCCN(Cc1cc2ccncc2s1)Cc1ccc(C#N)cc1 ZINC000596983678 1034482354 /nfs/dbraw/zinc/48/23/54/1034482354.db2.gz DYELJFYXDQBVRP-UHFFFAOYSA-N 0 3 337.448 3.817 20 30 EHEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000605740700 1034822653 /nfs/dbraw/zinc/82/26/53/1034822653.db2.gz RPSYPOWPVLQJCP-ZDUSSCGKSA-N 0 3 339.277 3.524 20 30 EHEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000892498433 1034975142 /nfs/dbraw/zinc/97/51/42/1034975142.db2.gz IQXXTMDYQOPALR-CQSZACIVSA-N 0 3 346.814 3.742 20 30 EHEDHN C=CCN(CCc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000065959503 1035030793 /nfs/dbraw/zinc/03/07/93/1035030793.db2.gz XNSCPPUBPUUMIH-UHFFFAOYSA-N 0 3 326.396 3.834 20 30 EHEDHN COCCOc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180030732 1035220944 /nfs/dbraw/zinc/22/09/44/1035220944.db2.gz OKLGIZCOSGOJCQ-UHFFFAOYSA-N 0 3 336.435 3.748 20 30 EHEDHN C=CCOc1ccccc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310652176 1035248341 /nfs/dbraw/zinc/24/83/41/1035248341.db2.gz JODVRBRJTXQKQC-KRWDZBQOSA-N 0 3 346.471 3.741 20 30 EHEDHN CCOc1cccc(CNCC#Cc2ccc(C(F)(F)F)cc2)c1O ZINC000177714570 1035341129 /nfs/dbraw/zinc/34/11/29/1035341129.db2.gz GJVVJHRYRFUSNR-UHFFFAOYSA-N 0 3 349.352 3.951 20 30 EHEDHN CN(C)C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000588231462 1035828852 /nfs/dbraw/zinc/82/88/52/1035828852.db2.gz RUTFXQZMEXYZAY-NHCUHLMSSA-N 0 3 337.442 3.967 20 30 EHEDHN CN(C)C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000588231461 1035830328 /nfs/dbraw/zinc/83/03/28/1035830328.db2.gz RUTFXQZMEXYZAY-LEWJYISDSA-N 0 3 337.442 3.967 20 30 EHEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCCCCC#N ZINC000588652656 1035943947 /nfs/dbraw/zinc/94/39/47/1035943947.db2.gz JENZGMUSAOGWFK-UHFFFAOYSA-N 0 3 335.879 3.704 20 30 EHEDHN Cc1cc(CNc2ccc(N3CCN(C)CC3)cc2C)ccc1C#N ZINC000443957138 1035983940 /nfs/dbraw/zinc/98/39/40/1035983940.db2.gz IMJFPDZKOPTGBJ-UHFFFAOYSA-N 0 3 334.467 3.539 20 30 EHEDHN N#Cc1ccc(OCCN2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000170651208 1036059335 /nfs/dbraw/zinc/05/93/35/1036059335.db2.gz CQNHGQZNAKXNPH-UHFFFAOYSA-N 0 3 339.414 3.653 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2OCCC)CC1 ZINC000171580713 1036241205 /nfs/dbraw/zinc/24/12/05/1036241205.db2.gz ZAAWUOZCXCQHCC-UHFFFAOYSA-N 0 3 331.460 3.637 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C(C)(C)C)C1 ZINC000541390895 1036250852 /nfs/dbraw/zinc/25/08/52/1036250852.db2.gz UYWANYXXTAHJIV-CVEARBPZSA-N 0 3 345.462 3.829 20 30 EHEDHN CC(C)[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCS1 ZINC000180250378 1036395313 /nfs/dbraw/zinc/39/53/13/1036395313.db2.gz BHPCKYLAQJSYPQ-GOSISDBHSA-N 0 3 340.496 3.532 20 30 EHEDHN CCCOc1nc(C)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000192187934 1036485125 /nfs/dbraw/zinc/48/51/25/1036485125.db2.gz SLIXSASRESRIHO-OAHLLOKOSA-N 0 3 348.406 3.556 20 30 EHEDHN CCCOc1nc(C)ccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000192187934 1036485131 /nfs/dbraw/zinc/48/51/31/1036485131.db2.gz SLIXSASRESRIHO-OAHLLOKOSA-N 0 3 348.406 3.556 20 30 EHEDHN CN1CC[C@H](NCc2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000572766883 1036513572 /nfs/dbraw/zinc/51/35/72/1036513572.db2.gz QAVOBJJGGWOYQH-OALUTQOASA-N 0 3 325.843 3.747 20 30 EHEDHN CC[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000271755181 1037125575 /nfs/dbraw/zinc/12/55/75/1037125575.db2.gz LMDGTFFCWNXRRK-SFHVURJKSA-N 0 3 341.842 3.569 20 30 EHEDHN C=CCc1cc(CN2CCS[C@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000539849743 1037277918 /nfs/dbraw/zinc/27/79/18/1037277918.db2.gz VXOKBDAFKJHGCG-WMZOPIPTSA-N 0 3 333.497 3.989 20 30 EHEDHN N#Cc1cccc(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000104705741 1037357958 /nfs/dbraw/zinc/35/79/58/1037357958.db2.gz ULQNORHATAQDCA-FQEVSTJZSA-N 0 3 337.398 3.767 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000493788090 1037614362 /nfs/dbraw/zinc/61/43/62/1037614362.db2.gz MMMRZYHYZSPRSD-DLBZAZTESA-N 0 3 335.536 3.883 20 30 EHEDHN Cc1nn(-c2ccncc2)cc1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000591839146 1037647480 /nfs/dbraw/zinc/64/74/80/1037647480.db2.gz ZCIGZPBOUGJDDA-MRXNPFEDSA-N 0 3 331.423 3.640 20 30 EHEDHN Cc1cc(F)ccc1N1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000532570389 1037668143 /nfs/dbraw/zinc/66/81/43/1037668143.db2.gz XUICAGRIOOPHQQ-GOSISDBHSA-N 0 3 341.405 3.904 20 30 EHEDHN N#Cc1ccc(CNCCOc2ccccc2C(F)(F)F)c(F)c1 ZINC000532569362 1037669696 /nfs/dbraw/zinc/66/96/96/1037669696.db2.gz QCKYAEXSHJBWMF-UHFFFAOYSA-N 0 3 338.304 3.885 20 30 EHEDHN COCCN(CCCCC#N)Cc1cc(Br)cs1 ZINC000494090414 1037833305 /nfs/dbraw/zinc/83/33/05/1037833305.db2.gz QNSVCNIFCARNPP-UHFFFAOYSA-N 0 3 331.279 3.653 20 30 EHEDHN CC(C)(C#N)CCN[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000592144401 1037849043 /nfs/dbraw/zinc/84/90/43/1037849043.db2.gz BSMSEDWJRYDRRS-CQSZACIVSA-N 0 3 330.350 3.538 20 30 EHEDHN N#Cc1ccc(NC(=O)CCNC2(c3ccccc3F)CCC2)cc1 ZINC000592144180 1037861526 /nfs/dbraw/zinc/86/15/26/1037861526.db2.gz BBVJDLPNCYYJFS-UHFFFAOYSA-N 0 3 337.398 3.695 20 30 EHEDHN CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC000118019483 1037866943 /nfs/dbraw/zinc/86/69/43/1037866943.db2.gz AYWDAJSQCWTKDN-BCDXTJNWSA-N 0 3 341.455 3.578 20 30 EHEDHN COc1ccc2c(c1)OC[C@H]2CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000760969329 1037956842 /nfs/dbraw/zinc/95/68/42/1037956842.db2.gz UDXXITBESXWPDL-IUODEOHRSA-N 0 3 348.358 3.579 20 30 EHEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](c1cccs1)C1CC1 ZINC000540469678 1038001155 /nfs/dbraw/zinc/00/11/55/1038001155.db2.gz YYDMTDYPNIXVNL-KRWDZBQOSA-N 0 3 345.855 3.953 20 30 EHEDHN CC1CCC(OC2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000378147471 1038050242 /nfs/dbraw/zinc/05/02/42/1038050242.db2.gz WUYRRQCOCDBODH-VFIGECHUSA-N 0 3 342.483 3.651 20 30 EHEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000893206840 1038483601 /nfs/dbraw/zinc/48/36/01/1038483601.db2.gz HRZNNSNCOXPGFZ-AUSIDOKSSA-N 0 3 349.474 3.953 20 30 EHEDHN C[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(C#N)c1 ZINC000461749836 1038590989 /nfs/dbraw/zinc/59/09/89/1038590989.db2.gz YELIGJSVRSSWFY-UWJYYQICSA-N 0 3 347.462 3.615 20 30 EHEDHN CCOc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1OC ZINC000341469831 1038753776 /nfs/dbraw/zinc/75/37/76/1038753776.db2.gz MDTCASIKSDKSPA-CYBMUJFWSA-N 0 3 328.387 3.955 20 30 EHEDHN CN(C/C=C\c1ccc(F)cc1F)CCOCc1ccc(C#N)cc1 ZINC000584808464 1038832857 /nfs/dbraw/zinc/83/28/57/1038832857.db2.gz RFWXETXTYYEXBC-IHWYPQMZSA-N 0 3 342.389 3.998 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000363949256 1039072928 /nfs/dbraw/zinc/07/29/28/1039072928.db2.gz HFUCXFBOLSEPRD-VGOFRKELSA-N 0 3 348.446 3.999 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000911632657 1039442473 /nfs/dbraw/zinc/44/24/73/1039442473.db2.gz IPKKWFIMPNBUPF-GFCCVEGCSA-N 0 3 347.381 3.822 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](c3ccccc3)C2)CC1 ZINC000431928183 1039519937 /nfs/dbraw/zinc/51/99/37/1039519937.db2.gz UXGRXSIWRXDYNL-IBGZPJMESA-N 0 3 341.499 3.616 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000911969503 1039617292 /nfs/dbraw/zinc/61/72/92/1039617292.db2.gz ALOYXXPYRGQFGX-GOSISDBHSA-N 0 3 333.476 3.686 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000553054543 1039736860 /nfs/dbraw/zinc/73/68/60/1039736860.db2.gz LIJKCUSCGNMEKG-MRXNPFEDSA-N 0 3 340.389 3.829 20 30 EHEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C(=O)N(C)C)cc1 ZINC000417370644 1039740587 /nfs/dbraw/zinc/74/05/87/1039740587.db2.gz SMRMEYIETRRYIM-QVKFZJNVSA-N 0 3 347.462 3.988 20 30 EHEDHN COc1cc(OC)cc(C2(F)CCN(CCC(C)(C)C#N)CC2)c1 ZINC000549471654 1039877177 /nfs/dbraw/zinc/87/71/77/1039877177.db2.gz NRJCQKVQNMUTDH-UHFFFAOYSA-N 0 3 334.435 3.904 20 30 EHEDHN CC[C@H](C)N[C@H](CNC(=O)[C@]1(C#N)CC2CCC1CC2)c1ccco1 ZINC000899080311 1039986068 /nfs/dbraw/zinc/98/60/68/1039986068.db2.gz SMOBEHVAKHUCAS-AFKTUUPPSA-N 0 3 343.471 3.545 20 30 EHEDHN C[C@@H](NCCc1ccn(-c2ccccc2)n1)c1ccc(C#N)cc1F ZINC000512661765 1040424481 /nfs/dbraw/zinc/42/44/81/1040424481.db2.gz UCZLMGWVHNZFCN-OAHLLOKOSA-N 0 3 334.398 3.776 20 30 EHEDHN CC1CCC(NC(=O)CN[C@H](CCCC#N)c2ccccc2)CC1 ZINC000433017039 1040458600 /nfs/dbraw/zinc/45/86/00/1040458600.db2.gz WUVFLTXULRZCQT-NKELODKYSA-N 0 3 327.472 3.706 20 30 EHEDHN Cc1ccsc1CNC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433025706 1040493325 /nfs/dbraw/zinc/49/33/25/1040493325.db2.gz AUTPQFZAGPGGLR-KRWDZBQOSA-N 0 3 341.480 3.698 20 30 EHEDHN Cc1cccc2nc(CN[C@H](CCCC#N)c3ccccc3)cc(=O)n12 ZINC000433030174 1040502097 /nfs/dbraw/zinc/50/20/97/1040502097.db2.gz DUUUYDOCQUJWOT-LJQANCHMSA-N 0 3 346.434 3.528 20 30 EHEDHN N#CCCC[C@H](NCC(=O)N(C1CC1)C1CCCC1)c1ccccc1 ZINC000433035548 1040538369 /nfs/dbraw/zinc/53/83/69/1040538369.db2.gz XXYQINSEUZKZPU-FQEVSTJZSA-N 0 3 339.483 3.945 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCOc4ccccc43)nc21 ZINC000842309230 1040898933 /nfs/dbraw/zinc/89/89/33/1040898933.db2.gz ZOFHWPXLUJTJFQ-GJZGRUSLSA-N 0 3 331.375 3.614 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CCOc4ccccc43)[nH]c21 ZINC000842309230 1040898945 /nfs/dbraw/zinc/89/89/45/1040898945.db2.gz ZOFHWPXLUJTJFQ-GJZGRUSLSA-N 0 3 331.375 3.614 20 30 EHEDHN C=C(CC)CN1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000433183551 1041014525 /nfs/dbraw/zinc/01/45/25/1041014525.db2.gz RTCKMRVCYPUEIC-UHFFFAOYSA-N 0 3 327.428 3.891 20 30 EHEDHN N#Cc1cccc(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000511858911 1041733165 /nfs/dbraw/zinc/73/31/65/1041733165.db2.gz JKSJMHIIBQSORU-NJYVYQBISA-N 0 3 345.446 3.765 20 30 EHEDHN CCOCCCN(Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047613539 1041747237 /nfs/dbraw/zinc/74/72/37/1041747237.db2.gz BTLMYGWWPGKAMU-UHFFFAOYSA-N 0 3 333.435 3.859 20 30 EHEDHN C[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1CCO ZINC000661490077 1042145558 /nfs/dbraw/zinc/14/55/58/1042145558.db2.gz CNVBSFAXHATTPS-RHSMWYFYSA-N 0 3 325.374 3.540 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000173971885 1126844636 /nfs/dbraw/zinc/84/46/36/1126844636.db2.gz LEWPYEDQVRQLFS-MSOLQXFVSA-N 0 3 335.451 3.981 20 30 EHEDHN C#CCCOc1ccc(CN2CCC[C@@H](CC(=O)OC(C)C)C2)cc1 ZINC000185584192 1126949015 /nfs/dbraw/zinc/94/90/15/1126949015.db2.gz KZSFAFFWCNCNSI-IBGZPJMESA-N 0 3 343.467 3.642 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(-n3cccn3)cc2)c1 ZINC000073012588 1126975058 /nfs/dbraw/zinc/97/50/58/1126975058.db2.gz GSTFAOIKZILTKL-FQEVSTJZSA-N 0 3 346.434 3.843 20 30 EHEDHN C=CCNC(=O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000180778873 1127186256 /nfs/dbraw/zinc/18/62/56/1127186256.db2.gz NZUWSKZMDZIDEN-GOSISDBHSA-N 0 3 328.843 3.516 20 30 EHEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](CC)c1c(C)noc1C ZINC000182416943 1127328757 /nfs/dbraw/zinc/32/87/57/1127328757.db2.gz AJRFQEKVLULHJC-MSOLQXFVSA-N 0 3 344.455 3.501 20 30 EHEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000194554702 1127462254 /nfs/dbraw/zinc/46/22/54/1127462254.db2.gz XGOPVDCKZJGSHI-UHFFFAOYSA-N 0 3 348.450 3.840 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ncnc2ccsc21 ZINC000764836186 1127540429 /nfs/dbraw/zinc/54/04/29/1127540429.db2.gz WGJIHPOZHVBDTO-CYBMUJFWSA-N 0 3 337.452 3.611 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000172352728 1127908353 /nfs/dbraw/zinc/90/83/53/1127908353.db2.gz XACWMWXIHKMOMN-OAHLLOKOSA-N 0 3 349.906 3.563 20 30 EHEDHN C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)[C@@H](c1ccccc1)N(C)C ZINC000888365039 1127952341 /nfs/dbraw/zinc/95/23/41/1127952341.db2.gz WZECYOGFDZFQIO-ACJLOTCBSA-N 0 3 340.402 3.510 20 30 EHEDHN Cc1ccc([C@@H](CNc2nnc(C)c(C)c2C#N)N2CCCC2)cc1 ZINC000301075652 1128572006 /nfs/dbraw/zinc/57/20/06/1128572006.db2.gz CZTJUANPENJDSW-LJQANCHMSA-N 0 3 335.455 3.523 20 30 EHEDHN CC(C)N(CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000428840810 1128730610 /nfs/dbraw/zinc/73/06/10/1128730610.db2.gz OZLWDQYLZHYXMW-KRWDZBQOSA-N 0 3 335.451 3.646 20 30 EHEDHN CCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccoc1 ZINC000102408026 1120309576 /nfs/dbraw/zinc/30/95/76/1120309576.db2.gz ZTLNQZYHTUJGJD-UHFFFAOYSA-N 0 3 331.803 3.655 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000494404641 1120550476 /nfs/dbraw/zinc/55/04/76/1120550476.db2.gz KMVWZUYVVCDNFW-BHIYHBOVSA-N 0 3 327.472 3.572 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000032070567 1120882342 /nfs/dbraw/zinc/88/23/42/1120882342.db2.gz JSCVJCORUAQARI-TTYLXTBDSA-N 0 3 326.440 3.699 20 30 EHEDHN COc1ccc(O)c(/C=N/CC(C)(C)N2CCc3ccccc3C2)c1 ZINC000914557850 1120896133 /nfs/dbraw/zinc/89/61/33/1120896133.db2.gz MKDYTWDDCOZYJB-LPYMAVHISA-N 0 3 338.451 3.657 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000171640363 1121103293 /nfs/dbraw/zinc/10/32/93/1121103293.db2.gz OPIUPWVALYHNRH-UHFFFAOYSA-N 0 3 341.427 3.773 20 30 EHEDHN CC(C)(C)OC(=O)N(CC1CC1)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000495589780 1121286472 /nfs/dbraw/zinc/28/64/72/1121286472.db2.gz BFZUGNYSGGXGBE-WMZOPIPTSA-N 0 3 347.503 3.790 20 30 EHEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccccc1Cl ZINC000077247288 1129002556 /nfs/dbraw/zinc/00/25/56/1129002556.db2.gz OMMJVERJFYIXDY-ZDUSSCGKSA-N 0 3 330.815 3.950 20 30 EHEDHN COc1cc(CN(C)Cc2cccc(OCCCC#N)c2)ccc1O ZINC000125962102 1122367314 /nfs/dbraw/zinc/36/73/14/1122367314.db2.gz DELGIYBKMYPQIG-UHFFFAOYSA-N 0 3 340.423 3.715 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1ccc(F)c(F)c1 ZINC000916910088 1122392270 /nfs/dbraw/zinc/39/22/70/1122392270.db2.gz QALVQNZBDHSRLU-JTQLQIEISA-N 0 3 334.709 3.579 20 30 EHEDHN CC[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000917103821 1122501663 /nfs/dbraw/zinc/50/16/63/1122501663.db2.gz RGDAUGBWUCKLTQ-KBPBESRZSA-N 0 3 327.453 3.595 20 30 EHEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000497384700 1122530738 /nfs/dbraw/zinc/53/07/38/1122530738.db2.gz FFXISHBWEFZEJF-NRFANRHFSA-N 0 3 335.451 3.504 20 30 EHEDHN CCCSCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000918486986 1122820001 /nfs/dbraw/zinc/82/00/01/1122820001.db2.gz NTIORYHAKWPIEQ-SNVBAGLBSA-N 0 3 345.251 3.784 20 30 EHEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccc(Br)cc3)C2)o1 ZINC000556910014 1123197727 /nfs/dbraw/zinc/19/77/27/1123197727.db2.gz RXWSOCKELPQAAT-AWEZNQCLSA-N 0 3 345.240 3.978 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000074206662 1123264904 /nfs/dbraw/zinc/26/49/04/1123264904.db2.gz NKXKNRNZBQJTMN-KBPBESRZSA-N 0 3 340.414 3.752 20 30 EHEDHN CC(C)[C@H](C)N(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000609385112 1123567707 /nfs/dbraw/zinc/56/77/07/1123567707.db2.gz PEOXAHXZEFMGCD-GJZGRUSLSA-N 0 3 333.501 3.853 20 30 EHEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](c2cccc(F)c2)C1 ZINC000610133169 1123739126 /nfs/dbraw/zinc/73/91/26/1123739126.db2.gz WRKZDQCUPHNXAY-KRWDZBQOSA-N 0 3 340.398 3.574 20 30 EHEDHN COCCOCc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000922142914 1129150327 /nfs/dbraw/zinc/15/03/27/1129150327.db2.gz RPDOWOLLTLXTEB-UHFFFAOYSA-N 0 3 338.451 3.628 20 30 EHEDHN Cc1cc(C)n(-c2ccc(CN(C)Cc3ccc(C#N)cc3)cc2)n1 ZINC000078519503 1129156358 /nfs/dbraw/zinc/15/63/58/1129156358.db2.gz RTIRVQVQSQSZKP-UHFFFAOYSA-N 0 3 330.435 3.993 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2cccc(F)c2)c([O-])c1 ZINC000068722778 1124010499 /nfs/dbraw/zinc/01/04/99/1124010499.db2.gz AENMTGDCNDHLLG-MRUVXERFSA-N 0 3 330.403 3.530 20 30 EHEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000617037545 1124075855 /nfs/dbraw/zinc/07/58/55/1124075855.db2.gz OGCAYLPYOVGTMA-HSALFYBXSA-N 0 3 341.499 3.545 20 30 EHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000617037544 1124075932 /nfs/dbraw/zinc/07/59/32/1124075932.db2.gz OGCAYLPYOVGTMA-AQNXPRMDSA-N 0 3 341.499 3.545 20 30 EHEDHN CC(C)(CNCc1cc(C#N)ccc1Br)c1ccccn1 ZINC000922155271 1129175340 /nfs/dbraw/zinc/17/53/40/1129175340.db2.gz WUBWBQRWKSTCSV-UHFFFAOYSA-N 0 3 344.256 3.783 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](C(C)(C)C)C2)c1C ZINC000543249617 1129372499 /nfs/dbraw/zinc/37/24/99/1129372499.db2.gz LWICVYCGWYFETL-SFHVURJKSA-N 0 3 341.499 3.918 20 30 EHEDHN CSc1ccc([C@H](CNc2snc(C)c2C#N)N(C)C)cc1 ZINC000338835534 1129404940 /nfs/dbraw/zinc/40/49/40/1129404940.db2.gz IBQSPVGHNZNUHB-HNNXBMFYSA-N 0 3 332.498 3.760 20 30 EHEDHN CC1(C)[C@@H](CNCc2cc(C#N)ccc2Br)C1(F)F ZINC000922257192 1129409835 /nfs/dbraw/zinc/40/98/35/1129409835.db2.gz DZRSUKJLYPHFAT-GFCCVEGCSA-N 0 3 329.188 3.702 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000466378398 1129409915 /nfs/dbraw/zinc/40/99/15/1129409915.db2.gz LYYHTDRWPKZPQL-MJGOQNOKSA-N 0 3 329.488 3.647 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSc3ccc(F)cc3)nc21 ZINC000735788702 1131379689 /nfs/dbraw/zinc/37/96/89/1131379689.db2.gz GVCVFCFRTZNZAA-AWEZNQCLSA-N 0 3 339.395 3.979 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)CSc3ccc(F)cc3)[nH]c21 ZINC000735788702 1131379692 /nfs/dbraw/zinc/37/96/92/1131379692.db2.gz GVCVFCFRTZNZAA-AWEZNQCLSA-N 0 3 339.395 3.979 20 30 EHEDHN N#Cc1c(F)cccc1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000428942788 1129624734 /nfs/dbraw/zinc/62/47/34/1129624734.db2.gz OIDMNNMJRJSKIY-SBHAEUEKSA-N 0 3 336.410 3.702 20 30 EHEDHN N#CC(C(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccn1 ZINC000073970680 1129871286 /nfs/dbraw/zinc/87/12/86/1129871286.db2.gz DNYKGKAOXMRFKQ-AWEZNQCLSA-N 0 3 335.338 3.685 20 30 EHEDHN C=CCN1CCC(NC(=O)c2sccc2-c2ccc(F)cc2)CC1 ZINC000729978061 1130661652 /nfs/dbraw/zinc/66/16/52/1130661652.db2.gz KUGFPQAEALETJS-UHFFFAOYSA-N 0 3 344.455 3.934 20 30 EHEDHN CCc1nc(CC(=O)C(C#N)c2nc3cc(F)ccc3s2)cs1 ZINC000730417524 1130707609 /nfs/dbraw/zinc/70/76/09/1130707609.db2.gz OEPMOEKXQCLDNB-LLVKDONJSA-N 0 3 345.424 3.873 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000730917486 1130750743 /nfs/dbraw/zinc/75/07/43/1130750743.db2.gz KYDKCWQKJTZBRI-XUVXKRRUSA-N 0 3 348.446 3.959 20 30 EHEDHN N#CC(C(=O)C[C@@H]1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000732596066 1130937496 /nfs/dbraw/zinc/93/74/96/1130937496.db2.gz IXBPEWFWFPTBCS-BEFAXECRSA-N 0 3 332.403 3.529 20 30 EHEDHN C[C@@H]1CCCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000734001370 1131181118 /nfs/dbraw/zinc/18/11/18/1131181118.db2.gz CDMHIKWGOLZLRY-ZIAGYGMSSA-N 0 3 327.453 3.737 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000739142716 1131493001 /nfs/dbraw/zinc/49/30/01/1131493001.db2.gz DUERSKCBWMNWQU-CRAIPNDOSA-N 0 3 328.456 3.758 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1cccs1 ZINC000739156586 1131493947 /nfs/dbraw/zinc/49/39/47/1131493947.db2.gz ZJEYHPAYAXEUSW-GHMZBOCLSA-N 0 3 332.812 3.853 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000742371167 1131716240 /nfs/dbraw/zinc/71/62/40/1131716240.db2.gz JBABKOSGYBNCIG-SFHVURJKSA-N 0 3 335.407 3.538 20 30 EHEDHN C[C@H](CCCC#N)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001172492226 1131757316 /nfs/dbraw/zinc/75/73/16/1131757316.db2.gz JPIOWMWMZCNONM-CQSZACIVSA-N 0 3 325.378 3.910 20 30 EHEDHN CCCCCCCC[C@H](CC)n1nc(C(=O)N(C)C)c2c1CCNC2 ZINC001172505676 1131762098 /nfs/dbraw/zinc/76/20/98/1131762098.db2.gz RPPAPRPAWPTTCY-INIZCTEOSA-N 0 3 348.535 3.932 20 30 EHEDHN CCOC(=O)C1(C#N)CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172550015 1131767065 /nfs/dbraw/zinc/76/70/65/1131767065.db2.gz SJDXMDGMZSLSRD-RTBURBONSA-N 0 3 340.467 3.882 20 30 EHEDHN COc1cccc2c1C[C@H](N1CCC(C#Cc3ccccc3)CC1)CO2 ZINC001173167597 1131999823 /nfs/dbraw/zinc/99/98/23/1131999823.db2.gz HPYOWEBYIWGSDW-FQEVSTJZSA-N 0 3 347.458 3.762 20 30 EHEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000744026567 1132005827 /nfs/dbraw/zinc/00/58/27/1132005827.db2.gz YFNGWEYBABZLLV-FZMZJTMJSA-N 0 3 330.771 3.693 20 30 EHEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000744032933 1132013651 /nfs/dbraw/zinc/01/36/51/1132013651.db2.gz PBVRCKHLVIJZMX-CMPLNLGQSA-N 0 3 348.761 3.832 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 ZINC000744032603 1132013782 /nfs/dbraw/zinc/01/37/82/1132013782.db2.gz MGALLHVLMSFXMK-MWLCHTKSSA-N 0 3 334.734 3.523 20 30 EHEDHN C=CCOc1cccc(CN(C)CCOc2ccccc2OC)c1 ZINC000509373923 1132489197 /nfs/dbraw/zinc/48/91/97/1132489197.db2.gz RUEIOXIZTCJFKG-UHFFFAOYSA-N 0 3 327.424 3.771 20 30 EHEDHN C[C@](C#N)(Nc1ccc2c(c1)COC21CNC1)c1ccccc1Cl ZINC001169391395 1132745048 /nfs/dbraw/zinc/74/50/48/1132745048.db2.gz WPEGATNKZFKTSP-GOSISDBHSA-N 0 3 339.826 3.520 20 30 EHEDHN CC(C)[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000103329989 1132824440 /nfs/dbraw/zinc/82/44/40/1132824440.db2.gz QDGQNVWCYHOMOE-OALUTQOASA-N 0 3 340.467 3.974 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)nc1Cl ZINC000766838289 1132864486 /nfs/dbraw/zinc/86/44/86/1132864486.db2.gz YJZBUEILPKCDKK-GFCCVEGCSA-N 0 3 337.766 3.782 20 30 EHEDHN C=CCCCCNCc1c(Br)cc(OC)cc1OC ZINC001178546059 1133177819 /nfs/dbraw/zinc/17/78/19/1133177819.db2.gz JMYAVDBPUOTBDJ-UHFFFAOYSA-N 0 3 328.250 3.912 20 30 EHEDHN C#CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C1CCCC1 ZINC000769530960 1133309153 /nfs/dbraw/zinc/30/91/53/1133309153.db2.gz PXIPYHIXUJHWNV-UHFFFAOYSA-N 0 3 338.245 3.541 20 30 EHEDHN C#CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])C1CCCC1 ZINC000769530960 1133309156 /nfs/dbraw/zinc/30/91/56/1133309156.db2.gz PXIPYHIXUJHWNV-UHFFFAOYSA-N 0 3 338.245 3.541 20 30 EHEDHN N#CC(C(=O)CCC1CCCC1)C(=O)NCc1cccc(Cl)c1 ZINC000786530110 1133862183 /nfs/dbraw/zinc/86/21/83/1133862183.db2.gz FCNAQFKBBHXOIP-MRXNPFEDSA-N 0 3 332.831 3.635 20 30 EHEDHN C[C@@H](N[C@H](C)c1csc2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000786781220 1133903345 /nfs/dbraw/zinc/90/33/45/1133903345.db2.gz AQDVPYOSWRPHAW-CHWSQXEVSA-N 0 3 327.453 3.503 20 30 EHEDHN C#CCC1(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CCCCC1 ZINC000788192812 1134092899 /nfs/dbraw/zinc/09/28/99/1134092899.db2.gz JCBQMUXXBPSCAZ-QUCCMNQESA-N 0 3 338.495 3.912 20 30 EHEDHN C[C@@H]1CC(N=Nc2ccc3c(cc[nH]c3=O)c2)CN1Cc1ccccc1 ZINC000789071802 1134217179 /nfs/dbraw/zinc/21/71/79/1134217179.db2.gz XBNLLTNJWAHACS-OAHLLOKOSA-N 0 3 346.434 3.590 20 30 EHEDHN CC(C)[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)N(C)C ZINC000789801181 1134336348 /nfs/dbraw/zinc/33/63/48/1134336348.db2.gz OJPLFYPJIXBFSG-SMDDNHRTSA-N 0 3 335.860 3.712 20 30 EHEDHN Cc1ccc2c(c1)N(CC(=O)C(C#N)c1nc3ccccc3s1)CC2 ZINC000746869000 1134356509 /nfs/dbraw/zinc/35/65/09/1134356509.db2.gz PDZNCARBFFJLAW-OAHLLOKOSA-N 0 3 347.443 3.844 20 30 EHEDHN CCCCc1ccc(NC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001187728740 1134376751 /nfs/dbraw/zinc/37/67/51/1134376751.db2.gz TXCZRVKBDONLHU-INIZCTEOSA-N 0 3 330.453 3.835 20 30 EHEDHN C=CCC1(C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)CCC1 ZINC000790376600 1134411099 /nfs/dbraw/zinc/41/10/99/1134411099.db2.gz LPOBNTRARPBODL-UHFFFAOYSA-N 0 3 342.483 3.522 20 30 EHEDHN CCCCCCCCS(=O)(=O)NC1CCN(CC(C)(C)C)CC1 ZINC001188029944 1134419617 /nfs/dbraw/zinc/41/96/17/1134419617.db2.gz AJCJFEVRDNSDNG-UHFFFAOYSA-N 0 3 346.581 3.777 20 30 EHEDHN C[C@@]1(c2ccccc2)CCCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC001170193123 1134703958 /nfs/dbraw/zinc/70/39/58/1134703958.db2.gz GCRQRFJIMVYQEI-JOCHJYFZSA-N 0 3 347.462 3.941 20 30 EHEDHN C[C@]12CCN(CCCOc3cccc(C#N)c3)C[C@H]1C2(Cl)Cl ZINC000792896596 1134815821 /nfs/dbraw/zinc/81/58/21/1134815821.db2.gz ALABWKPBVYOHSV-CVEARBPZSA-N 0 3 339.266 3.843 20 30 EHEDHN N#Cc1ccnc(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001193103292 1135101367 /nfs/dbraw/zinc/10/13/67/1135101367.db2.gz GNZHJZPPZDMCJU-HNNXBMFYSA-N 0 3 331.341 3.962 20 30 EHEDHN CC[C@@H]1CN(Cc2cccc(C#N)c2F)CCN1Cc1ccccc1 ZINC001193211079 1135114761 /nfs/dbraw/zinc/11/47/61/1135114761.db2.gz RZZFPEHQFRWNPE-HXUWFJFHSA-N 0 3 337.442 3.794 20 30 EHEDHN O=C(Oc1ccc2ccccc2c1)N1CCC2SC(=O)C=C2C1 ZINC001194638991 1135295020 /nfs/dbraw/zinc/29/50/20/1135295020.db2.gz VSFYXWCOCXHWLF-INIZCTEOSA-N 0 3 325.389 3.613 20 30 EHEDHN CC1(C(=O)[C@H](C#N)c2ccccn2)CCN(Cc2ccccc2)CC1 ZINC000805852966 1135338752 /nfs/dbraw/zinc/33/87/52/1135338752.db2.gz DBMWLUCWZDSATC-GOSISDBHSA-N 0 3 333.435 3.560 20 30 EHEDHN C#CC[C@H]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC001197700866 1135727477 /nfs/dbraw/zinc/72/74/77/1135727477.db2.gz AEZXQMBCLXVJCS-OLZOCXBDSA-N 0 3 339.266 3.516 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCCCC[C@H]2C)cc1C ZINC000747530875 1135745201 /nfs/dbraw/zinc/74/52/01/1135745201.db2.gz OZZWBGKGUBGFFE-GOSISDBHSA-N 0 3 327.472 3.815 20 30 EHEDHN C#CCOc1ccc(CN2CCC([C@H](O)c3ccccc3C)CC2)cc1 ZINC000809704030 1135875294 /nfs/dbraw/zinc/87/52/94/1135875294.db2.gz XCCPDYRPOBETMF-QHCPKHFHSA-N 0 3 349.474 3.953 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809750526 1135885044 /nfs/dbraw/zinc/88/50/44/1135885044.db2.gz ZFXWZUZSXRIQPL-RDJZCZTQSA-N 0 3 344.455 3.531 20 30 EHEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810164374 1135929053 /nfs/dbraw/zinc/92/90/53/1135929053.db2.gz GLFSQCIBXBUZOO-FOIQADDNSA-N 0 3 343.471 3.541 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC001201004566 1135976762 /nfs/dbraw/zinc/97/67/62/1135976762.db2.gz KALIHHSKXDHYTD-AWEZNQCLSA-N 0 3 344.311 3.930 20 30 EHEDHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)N[C@H](C)c1cccc(C#N)c1 ZINC000776153878 1136004987 /nfs/dbraw/zinc/00/49/87/1136004987.db2.gz IJPJIKYHKPFKMD-DYESRHJHSA-N 0 3 349.478 3.689 20 30 EHEDHN C[C@]1(CNCc2cc(C#N)ccc2Br)CCCS1 ZINC001201406982 1136013248 /nfs/dbraw/zinc/01/32/48/1136013248.db2.gz HMUNWEYKLUGPDL-CQSZACIVSA-N 0 3 325.275 3.696 20 30 EHEDHN O=C(Nc1ccc(Cl)cc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001202075207 1136095406 /nfs/dbraw/zinc/09/54/06/1136095406.db2.gz GOUFBSDHAPUZFR-LBPRGKRZSA-N 0 3 343.235 3.799 20 30 EHEDHN Cc1cc(Cl)c(C#N)c(-n2c(-c3ccccc3)cnc2[C@H](C)N)n1 ZINC001170678852 1136214932 /nfs/dbraw/zinc/21/49/32/1136214932.db2.gz GTQPSTHIMBZUFI-LBPRGKRZSA-N 0 3 337.814 3.788 20 30 EHEDHN CC(C)(C)CN(CCC#N)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109811839 1136347085 /nfs/dbraw/zinc/34/70/85/1136347085.db2.gz SJRLEMRFAOUWBZ-INIZCTEOSA-N 0 3 337.508 3.895 20 30 EHEDHN N#Cc1ccc(CCN2CCC(Oc3ccc(Cl)cn3)CC2)cc1 ZINC000852164416 1136437607 /nfs/dbraw/zinc/43/76/07/1136437607.db2.gz ZAPYZTPMZJJWDB-UHFFFAOYSA-N 0 3 341.842 3.693 20 30 EHEDHN C=CCC(C)(C)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000815142008 1136561739 /nfs/dbraw/zinc/56/17/39/1136561739.db2.gz LOLPZWSROWBVTK-UHFFFAOYSA-N 0 3 328.250 3.855 20 30 EHEDHN C[C@@H]1[C@H](OC(=O)c2cccc(C#N)c2)CCCN1Cc1ccccc1 ZINC000816468585 1136719774 /nfs/dbraw/zinc/71/97/74/1136719774.db2.gz JVKIRBYAUQKZIJ-OXQOHEQNSA-N 0 3 334.419 3.768 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000113960731 1136762555 /nfs/dbraw/zinc/76/25/55/1136762555.db2.gz JWRVAXDIOIAULF-LPHOPBHVSA-N 0 3 349.434 3.948 20 30 EHEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@H](O)c1c(F)cccc1F ZINC000817408866 1136805471 /nfs/dbraw/zinc/80/54/71/1136805471.db2.gz RAOJQHWHVHOOGH-WMZOPIPTSA-N 0 3 334.341 3.577 20 30 EHEDHN C#CCCCCCC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000819335838 1136932324 /nfs/dbraw/zinc/93/23/24/1136932324.db2.gz PUMHZHLMUPQOHU-GOSISDBHSA-N 0 3 332.513 3.711 20 30 EHEDHN COc1ccc([C@H](NCc2ccc(O[C@@H](C)C#N)cc2)C2CC2)cn1 ZINC000858342327 1136960019 /nfs/dbraw/zinc/96/00/19/1136960019.db2.gz MVXPXFAIBOPWSP-VBKZILBWSA-N 0 3 337.423 3.622 20 30 EHEDHN CCN(CCNC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000859530369 1137018510 /nfs/dbraw/zinc/01/85/10/1137018510.db2.gz NWULNSSKPHAUBY-UHFFFAOYSA-N 0 3 345.487 3.834 20 30 EHEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000860468273 1137061692 /nfs/dbraw/zinc/06/16/92/1137061692.db2.gz BFIWEVQRARIHDP-SJLPKXTDSA-N 0 3 338.407 3.692 20 30 EHEDHN C#Cc1ccc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)cc1 ZINC000862528465 1137148075 /nfs/dbraw/zinc/14/80/75/1137148075.db2.gz ZYPZUQVQOVZQLF-UHFFFAOYSA-N 0 3 335.451 3.773 20 30 EHEDHN N#Cc1ccc([C@@H](O)CNC2(c3ccccc3Cl)CCC2)cc1 ZINC000844351331 1137214163 /nfs/dbraw/zinc/21/41/63/1137214163.db2.gz NEZFEUVYQGISEF-SFHVURJKSA-N 0 3 326.827 3.914 20 30 EHEDHN CC(C)(C)OC(=O)N1CCCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000772927199 1137299238 /nfs/dbraw/zinc/29/92/38/1137299238.db2.gz LELGHVNNSVAFSJ-MRXNPFEDSA-N 0 3 347.434 3.577 20 30 EHEDHN COc1cc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)cc(Cl)c1[O-] ZINC001171192818 1137299322 /nfs/dbraw/zinc/29/93/22/1137299322.db2.gz BPAIXTNNCUYFKY-GFCCVEGCSA-N 0 3 330.815 3.647 20 30 EHEDHN N#Cc1ccc2c(c1)C[C@H](NCc1sccc1Br)C2 ZINC000865848712 1137316322 /nfs/dbraw/zinc/31/63/22/1137316322.db2.gz VHCYTTXNZWSENK-CYBMUJFWSA-N 0 3 333.254 3.639 20 30 EHEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc3scnc3c1)C2 ZINC001144737629 1137341080 /nfs/dbraw/zinc/34/10/80/1137341080.db2.gz XPLXCFWKBVULKT-QFBILLFUSA-N 0 3 344.480 3.622 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC001171220592 1137346080 /nfs/dbraw/zinc/34/60/80/1137346080.db2.gz AFRZUOVZPAZLSD-MOPGFXCFSA-N 0 3 333.479 3.868 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC001171220598 1137346154 /nfs/dbraw/zinc/34/61/54/1137346154.db2.gz AFRZUOVZPAZLSD-OALUTQOASA-N 0 3 333.479 3.868 20 30 EHEDHN Cc1cccc(C)c1N1CCN([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232640 1137356220 /nfs/dbraw/zinc/35/62/20/1137356220.db2.gz USBZGUOXEBAENM-LJQANCHMSA-N 0 3 333.479 3.928 20 30 EHEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000772960730 1137386168 /nfs/dbraw/zinc/38/61/68/1137386168.db2.gz VGGULCDTQVHJQI-CQSZACIVSA-N 0 3 325.368 3.656 20 30 EHEDHN COc1ccc(Cl)c2c1C[C@H](NCc1ccccc1C#N)CC2 ZINC001171288695 1137396121 /nfs/dbraw/zinc/39/61/21/1137396121.db2.gz MUZNXHISNBNYNE-OAHLLOKOSA-N 0 3 326.827 3.867 20 30 EHEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000103638366 1137426904 /nfs/dbraw/zinc/42/69/04/1137426904.db2.gz CVOKHJKVSODEDE-YJBOKZPZSA-N 0 3 326.440 3.728 20 30 EHEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001171791378 1137512670 /nfs/dbraw/zinc/51/26/70/1137512670.db2.gz ITBBKJDJCASIKI-FHWLQOOXSA-N 0 3 342.389 3.572 20 30 EHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001172309060 1137546102 /nfs/dbraw/zinc/54/61/02/1137546102.db2.gz PTKWJBTTZMMSIW-HNNXBMFYSA-N 0 3 341.405 3.590 20 30 EHEDHN C=CCOC[C@@H]1CCC[C@@]12CN([C@@H](C)CCO[C@@H](C)CC)CCO2 ZINC001172341700 1137552514 /nfs/dbraw/zinc/55/25/14/1137552514.db2.gz XEPKEROKYZIGEX-LWYYNNOASA-N 0 3 339.520 3.654 20 30 EHEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1c[nH]c3c1cccc3F)C2 ZINC001137056403 1137571121 /nfs/dbraw/zinc/57/11/21/1137571121.db2.gz TYBDWGNMAIEDAY-JXFKEZNVSA-N 0 3 344.430 3.633 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000876619066 1137657250 /nfs/dbraw/zinc/65/72/50/1137657250.db2.gz NNWAWNNDMUVLBW-SMDDNHRTSA-N 0 3 349.887 3.766 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000876649659 1137658192 /nfs/dbraw/zinc/65/81/92/1137658192.db2.gz BUQCZCFUWAGAQW-LBPRGKRZSA-N 0 3 335.835 3.825 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000876687561 1137659096 /nfs/dbraw/zinc/65/90/96/1137659096.db2.gz KVZXZAQPTXMIRC-JMSVASOKSA-N 0 3 329.271 3.760 20 30 EHEDHN N#Cc1cnc(Cl)c(CNC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000876885187 1137664512 /nfs/dbraw/zinc/66/45/12/1137664512.db2.gz MNUBTOGVAJDXGR-GOSISDBHSA-N 0 3 340.858 3.533 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877020105 1137667768 /nfs/dbraw/zinc/66/77/68/1137667768.db2.gz KXNVPPZHWOALKQ-KBXCAEBGSA-N 0 3 340.858 3.532 20 30 EHEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000878013933 1137699641 /nfs/dbraw/zinc/69/96/41/1137699641.db2.gz GMMOGBPQPWXGGM-IFMALSPDSA-N 0 3 332.447 3.917 20 30 EHEDHN Cc1cccc(C(=O)NC2CCN(Cc3ccc(C#N)cc3C)CC2)c1 ZINC000879350857 1137745091 /nfs/dbraw/zinc/74/50/91/1137745091.db2.gz UBHYTVPWQXJZND-UHFFFAOYSA-N 0 3 347.462 3.570 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(C(F)F)c2)CC1 ZINC000880685759 1137784396 /nfs/dbraw/zinc/78/43/96/1137784396.db2.gz KIMZZENMVOGLSZ-UHFFFAOYSA-N 0 3 341.377 3.925 20 30 EHEDHN CSCCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000131031930 1137845136 /nfs/dbraw/zinc/84/51/36/1137845136.db2.gz VEEXOVFZCZKUMI-LBPRGKRZSA-N 0 3 345.251 3.784 20 30 EHEDHN Cn1nc2c(c1CN[C@@H](CCCC#N)c1ccccc1)CSCC2 ZINC000883130852 1137845928 /nfs/dbraw/zinc/84/59/28/1137845928.db2.gz VNXOFGHSCVOHHB-KRWDZBQOSA-N 0 3 340.496 3.734 20 30 EHEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc3oc4ccccc4c3c1)C2 ZINC000884046707 1137898667 /nfs/dbraw/zinc/89/86/67/1137898667.db2.gz OCBMFKOPOVTZBY-YZGUTLMUSA-N 0 3 345.402 3.664 20 30 EHEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(-c3ccccc3)cc1F)C2 ZINC000884090219 1137906046 /nfs/dbraw/zinc/90/60/46/1137906046.db2.gz NDROKHBXULFPDZ-BATSVXPKSA-N 0 3 349.409 3.571 20 30 EHEDHN N#C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)C1CCCCC1 ZINC000331469718 1137909617 /nfs/dbraw/zinc/90/96/17/1137909617.db2.gz RHFIMCLQGXWBPN-HXUWFJFHSA-N 0 3 339.483 3.875 20 30 EHEDHN N#CC1(C[C@H](O)CN2CCC(=Cc3ccc(F)c(F)c3)CC2)CCC1 ZINC000886138911 1138051426 /nfs/dbraw/zinc/05/14/26/1138051426.db2.gz XJZPSNJFGVYMHE-KRWDZBQOSA-N 0 3 346.421 3.889 20 30 EHEDHN N#CC1(C[C@H](O)CN(CCC(F)(F)F)Cc2ccccc2)CCC1 ZINC000886168143 1138055201 /nfs/dbraw/zinc/05/52/01/1138055201.db2.gz KBVMUFCXYWVJGZ-INIZCTEOSA-N 0 3 340.389 3.886 20 30 EHEDHN CSc1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1C#N ZINC000886277446 1138063497 /nfs/dbraw/zinc/06/34/97/1138063497.db2.gz QQTKNKMXDCQLSE-UHFFFAOYSA-N 0 3 326.465 3.797 20 30 EHEDHN C#CCN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CCN(C)CC1 ZINC000886589004 1138099992 /nfs/dbraw/zinc/09/99/92/1138099992.db2.gz GJVOWOQNWIDXLH-UHFFFAOYSA-N 0 3 348.446 3.649 20 30 EHEDHN C=C(C)COc1cc(CN(C)CCc2nccs2)ccc1OC ZINC000093844140 1138242024 /nfs/dbraw/zinc/24/20/24/1138242024.db2.gz ODFCFRRMUSGKTF-UHFFFAOYSA-N 0 3 332.469 3.781 20 30 EHEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000174295276 1139412251 /nfs/dbraw/zinc/41/22/51/1139412251.db2.gz OCLAMPFVFNVRKQ-QGZVFWFLSA-N 0 3 338.407 3.579 20 30 EHEDHN C=CCC[C@H](NC(=O)NC1CCN(CC=C)CC1)c1ccccc1 ZINC000178954559 1139726928 /nfs/dbraw/zinc/72/69/28/1139726928.db2.gz YXDQPHUZDNKVBM-IBGZPJMESA-N 0 3 327.472 3.644 20 30 EHEDHN CC(C)Oc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000181517869 1139912506 /nfs/dbraw/zinc/91/25/06/1139912506.db2.gz VOLXAJZNNOQLJL-HNNXBMFYSA-N 0 3 325.412 3.622 20 30 EHEDHN CCSc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccn1 ZINC000187792173 1140271971 /nfs/dbraw/zinc/27/19/71/1140271971.db2.gz RVFCMYMSFSVMIT-CQSZACIVSA-N 0 3 327.453 3.947 20 30 EHEDHN C=CCC1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CCC1 ZINC000189196177 1140326268 /nfs/dbraw/zinc/32/62/68/1140326268.db2.gz BEQFWMCMANNNPU-UHFFFAOYSA-N 0 3 342.483 3.576 20 30 EHEDHN N#C[C@H]1CCC[C@@H](N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000192849208 1140554313 /nfs/dbraw/zinc/55/43/13/1140554313.db2.gz TZZACONMBXJDLK-CEWLAPEOSA-N 0 3 347.462 3.908 20 30 EHEDHN C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000267079110 1140757337 /nfs/dbraw/zinc/75/73/37/1140757337.db2.gz PRGVMLBPBQYYOX-AWEZNQCLSA-N 0 3 348.406 3.810 20 30 EHEDHN CCc1nc2c(s1)[C@H](N(C)C[C@H](O)c1ccc(C#N)cc1)CCC2 ZINC000268738366 1140979515 /nfs/dbraw/zinc/97/95/15/1140979515.db2.gz PEYUHGALRDLYEM-SJORKVTESA-N 0 3 341.480 3.620 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000268953333 1141033277 /nfs/dbraw/zinc/03/32/77/1141033277.db2.gz YCDRWPJSXUOWDM-JKSUJKDBSA-N 0 3 348.446 3.629 20 30 EHEDHN C=CCC[C@@H](N[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000271642328 1141411245 /nfs/dbraw/zinc/41/12/45/1141411245.db2.gz DXFVQMHSAPXVLB-HNAYVOBHSA-N 0 3 344.480 3.692 20 30 EHEDHN N#Cc1ccccc1CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000225536682 564081798 /nfs/dbraw/zinc/08/17/98/564081798.db2.gz KGWKEBYMPGKMLR-CQSZACIVSA-N 0 3 334.345 3.680 20 30 EHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(F)c(Br)c1 ZINC000339494545 1014586217 /nfs/dbraw/zinc/58/62/17/1014586217.db2.gz SWQQTDPLPWMZSD-SNVBAGLBSA-N 0 3 336.208 3.649 20 30 EHEDHN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000189722177 1016700069 /nfs/dbraw/zinc/70/00/69/1016700069.db2.gz METOTJGCCDRREM-HXUWFJFHSA-N 0 3 326.415 3.861 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C(F)F)c2F)CC1 ZINC000528448072 1032289949 /nfs/dbraw/zinc/28/99/49/1032289949.db2.gz KLEANPSPXPGMGT-UHFFFAOYSA-N 0 3 326.362 3.534 20 30 EHEDHN C=CCCCC[C@@H](C)[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)(C)C ZINC000449198550 1032320993 /nfs/dbraw/zinc/32/09/93/1032320993.db2.gz CEJXMIQGOHRRSV-OLZOCXBDSA-N 0 3 332.452 3.666 20 30 EHEDHN C=CCCCC[C@@H](C)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000449198550 1032320999 /nfs/dbraw/zinc/32/09/99/1032320999.db2.gz CEJXMIQGOHRRSV-OLZOCXBDSA-N 0 3 332.452 3.666 20 30 EHEDHN CCCOc1c(Cl)cc(/C=C2/C(=O)c3ncnn3C2C)cc1OC ZINC000905079730 1032332036 /nfs/dbraw/zinc/33/20/36/1032332036.db2.gz FWSXJWUOVWUZGG-PQTFEYQYSA-N 0 3 347.802 3.570 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(Cl)c2ccccc21)C(=O)N(C)CCC#N ZINC000184926484 1032345656 /nfs/dbraw/zinc/34/56/56/1032345656.db2.gz FHFGWCQQOAPLPD-UONOGXRCSA-N 0 3 343.858 3.904 20 30 EHEDHN CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594440405 1033374789 /nfs/dbraw/zinc/37/47/89/1033374789.db2.gz ZBDDKKHTFHIDIT-RHSMWYFYSA-N 0 3 333.501 3.776 20 30 EHEDHN CSc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000058580600 1032591868 /nfs/dbraw/zinc/59/18/68/1032591868.db2.gz SSLZCZLMWPHDKL-UHFFFAOYSA-N 0 3 337.492 3.992 20 30 EHEDHN N#Cc1ccc(CNC[C@@H]2CCCCN2Cc2cccc(Cl)c2)o1 ZINC000537289265 1032595485 /nfs/dbraw/zinc/59/54/85/1032595485.db2.gz RUCVISQUNIOCNB-KRWDZBQOSA-N 0 3 343.858 3.949 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1F ZINC000593062545 1032664312 /nfs/dbraw/zinc/66/43/12/1032664312.db2.gz CWGXZGHCFHCHPN-SFHVURJKSA-N 0 3 325.387 3.767 20 30 EHEDHN N#Cc1ccc(CNCCOc2cccc(C(F)(F)F)c2)s1 ZINC000176952906 1017538979 /nfs/dbraw/zinc/53/89/79/1017538979.db2.gz JIUPDVSDWXVDSO-UHFFFAOYSA-N 0 3 326.343 3.807 20 30 EHEDHN CC[C@H]1Oc2cc([C@H](C)NCc3ccc(C#N)cc3)ccc2NC1=O ZINC000174139709 1017766046 /nfs/dbraw/zinc/76/60/46/1017766046.db2.gz XSPDKOPWONIROB-SCLBCKFNSA-N 0 3 335.407 3.519 20 30 EHEDHN CC(C)C[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000341032165 1017907562 /nfs/dbraw/zinc/90/75/62/1017907562.db2.gz DHQOKPUKVGMODF-FQEVSTJZSA-N 0 3 335.451 3.551 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000728711435 1018327412 /nfs/dbraw/zinc/32/74/12/1018327412.db2.gz FBVLXKDZPWBHDR-CABCVRRESA-N 0 3 349.434 3.713 20 30 EHEDHN CN1CCN(CCC2(C#N)CCCCC2)[C@@H](Cc2ccccc2)C1 ZINC000593089865 1032756496 /nfs/dbraw/zinc/75/64/96/1032756496.db2.gz UYOJQSZMTXEULM-FQEVSTJZSA-N 0 3 325.500 3.709 20 30 EHEDHN COCCN(Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000160448330 1018876130 /nfs/dbraw/zinc/87/61/30/1018876130.db2.gz NSGXDHVHBGHWRI-UHFFFAOYSA-N 0 3 337.467 3.685 20 30 EHEDHN CC(C)N(Cc1cc(C#N)ccc1Br)C1CCOCC1 ZINC000191813034 1019575844 /nfs/dbraw/zinc/57/58/44/1019575844.db2.gz QRNYKJFWWUFAIC-UHFFFAOYSA-N 0 3 337.261 3.710 20 30 EHEDHN Cc1cc(C(F)(F)F)ccc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897599871 1032895661 /nfs/dbraw/zinc/89/56/61/1032895661.db2.gz YNIGIUOGRZNZAC-UHFFFAOYSA-N 0 3 339.357 3.852 20 30 EHEDHN CC(C)Cc1ccc(CC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000050682006 1020371993 /nfs/dbraw/zinc/37/19/93/1020371993.db2.gz NGJHNPGDZGEYMH-IBGZPJMESA-N 0 3 340.467 3.585 20 30 EHEDHN CC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000341185434 1021056628 /nfs/dbraw/zinc/05/66/28/1021056628.db2.gz ASUHLMHVHZPKSJ-RPVQJOFSSA-N 0 3 335.879 3.824 20 30 EHEDHN C=CCC[C@H](O)CN[C@@H](C)c1cc(F)c(Br)cc1F ZINC000625753123 1021382399 /nfs/dbraw/zinc/38/23/99/1021382399.db2.gz WIJCMHCSDVYDAM-UWVGGRQHSA-N 0 3 334.204 3.705 20 30 EHEDHN CN(CCC1CCCCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000507597400 1021389156 /nfs/dbraw/zinc/38/91/56/1021389156.db2.gz MRNHKZXBXBGMHH-LJQANCHMSA-N 0 3 325.456 3.566 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2cccc3ccccc32)CC1 ZINC000894855248 1021441499 /nfs/dbraw/zinc/44/14/99/1021441499.db2.gz OZNMKDAIMKORLW-NRFANRHFSA-N 0 3 334.463 3.752 20 30 EHEDHN COc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1NC(C)=O ZINC000519649723 1021599382 /nfs/dbraw/zinc/59/93/82/1021599382.db2.gz HTNJPFMRQVMLOX-AWEZNQCLSA-N 0 3 337.423 3.570 20 30 EHEDHN C=CCc1cc(CN2CC[C@H](CC(F)(F)F)C2)cc(OC)c1O ZINC000516707705 1021674720 /nfs/dbraw/zinc/67/47/20/1021674720.db2.gz GISQRXTUCGEEHR-GFCCVEGCSA-N 0 3 329.362 3.904 20 30 EHEDHN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)CC1(C#N)CCOCC1)CCO2 ZINC000602616400 1033010439 /nfs/dbraw/zinc/01/04/39/1033010439.db2.gz NYCMIOPJJSWDDI-YJBOKZPZSA-N 0 3 344.455 3.597 20 30 EHEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000441359588 1022175180 /nfs/dbraw/zinc/17/51/80/1022175180.db2.gz CGRAINKLRQLWBQ-QKNQBKEWSA-N 0 3 341.499 3.617 20 30 EHEDHN COc1ccc(C#N)cc1CN(Cc1ccccc1)[C@@H](CO)C(C)C ZINC000438113738 1022401924 /nfs/dbraw/zinc/40/19/24/1022401924.db2.gz GGMGGFMWFIIOHO-FQEVSTJZSA-N 0 3 338.451 3.586 20 30 EHEDHN Cc1nn(-c2cccc(F)c2)cc1CN1CCC(CCC#N)CC1 ZINC000581944338 1022500145 /nfs/dbraw/zinc/50/01/45/1022500145.db2.gz IUVQGJYBPYTTSG-UHFFFAOYSA-N 0 3 326.419 3.836 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000111496006 1022574860 /nfs/dbraw/zinc/57/48/60/1022574860.db2.gz AXYZYVMETMXKTM-WOJBJXKFSA-N 0 3 341.499 3.662 20 30 EHEDHN CCC1(CC)CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000438505707 1022741753 /nfs/dbraw/zinc/74/17/53/1022741753.db2.gz NXBYTJWZMXIFGM-KRWDZBQOSA-N 0 3 327.472 3.834 20 30 EHEDHN CC1(C)C[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C(C)(C)O1 ZINC000528919496 1033078799 /nfs/dbraw/zinc/07/87/99/1033078799.db2.gz KUAKLPSRAXBDQF-KBPBESRZSA-N 0 3 348.830 3.581 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](CC(C)C)c1ccccc1C ZINC000341681019 1022988959 /nfs/dbraw/zinc/98/89/59/1022988959.db2.gz GDXALNXSOONYBF-LPHOPBHVSA-N 0 3 329.488 3.680 20 30 EHEDHN C=CCC[C@@H](NCc1cc(=O)n2cc(C)ccc2n1)c1ccccc1 ZINC000341929379 1023232790 /nfs/dbraw/zinc/23/27/90/1023232790.db2.gz KHWGCCMYZRQJRR-LJQANCHMSA-N 0 3 333.435 3.800 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000187663662 1023397775 /nfs/dbraw/zinc/39/77/75/1023397775.db2.gz HYKXXGHDHWNUBH-INIZCTEOSA-N 0 3 339.483 3.780 20 30 EHEDHN Cc1cc(C)c(CNCc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000449736526 1033133816 /nfs/dbraw/zinc/13/38/16/1033133816.db2.gz VNDFREJHXWSTCD-UHFFFAOYSA-N 0 3 345.450 3.765 20 30 EHEDHN Cc1cc(C#N)cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000449761481 1033156796 /nfs/dbraw/zinc/15/67/96/1033156796.db2.gz XZLHJCQZDVXJLS-UHFFFAOYSA-N 0 3 330.435 3.815 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2nc3c(s2)CCCC3)n1 ZINC000505410377 1023954914 /nfs/dbraw/zinc/95/49/14/1023954914.db2.gz RTCGMFNIDLSPEZ-SNVBAGLBSA-N 0 3 346.481 3.848 20 30 EHEDHN C=CC[C@@H]1N(C(=O)CC2(N3CCOCC3)CCCC2)CCCC1(C)C ZINC000443853475 1024056413 /nfs/dbraw/zinc/05/64/13/1024056413.db2.gz ATDIMGLAFUOSMX-SFHVURJKSA-N 0 3 348.531 3.615 20 30 EHEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000329812512 1024206437 /nfs/dbraw/zinc/20/64/37/1024206437.db2.gz SBUSXSJXMADIRF-BDJLRTHQSA-N 0 3 344.846 3.517 20 30 EHEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000329847562 1024221020 /nfs/dbraw/zinc/22/10/20/1024221020.db2.gz MUGPROWYCNLBKJ-HUUCEWRRSA-N 0 3 331.460 3.732 20 30 EHEDHN Cn1c2cc(F)ccc2nc1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000329861375 1024225893 /nfs/dbraw/zinc/22/58/93/1024225893.db2.gz QEFKALAJGDXNAM-OAHLLOKOSA-N 0 3 330.407 3.707 20 30 EHEDHN CC[C@H](CNC(=O)[C@H]1CCCCC(=O)N1)N1CCc2ccccc2C1 ZINC000329886606 1024238052 /nfs/dbraw/zinc/23/80/52/1024238052.db2.gz WIKIQGCOGSJQCT-QZTJIDSGSA-N 0 3 343.471 3.679 20 30 EHEDHN N#Cc1cccc(CN2CCC(c3ncc4n3CCCC4)CC2)c1F ZINC000434686743 1024296698 /nfs/dbraw/zinc/29/66/98/1024296698.db2.gz UQDANYXXYJKOMF-UHFFFAOYSA-N 0 3 338.430 3.610 20 30 EHEDHN CCCn1ccnc1CCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000191515261 1024388199 /nfs/dbraw/zinc/38/81/99/1024388199.db2.gz NRQBMBCISOOXQC-UHFFFAOYSA-N 0 3 329.875 3.863 20 30 EHEDHN C=CCC[C@@H](NCC(=O)N1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000342206633 1024402001 /nfs/dbraw/zinc/40/20/01/1024402001.db2.gz NKDMQPCXSYMOOG-OAHLLOKOSA-N 0 3 326.362 3.535 20 30 EHEDHN N#Cc1cccc([N+](=O)[O-])c1NC[C@@H](c1cccs1)N1CCCC1 ZINC000425204116 1024439201 /nfs/dbraw/zinc/43/92/01/1024439201.db2.gz SWHFLGGNPBAEMF-HNNXBMFYSA-N 0 3 342.424 3.777 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C2CC2)C1 ZINC000344085577 1024887834 /nfs/dbraw/zinc/88/78/34/1024887834.db2.gz HMMAZRVDOCNWPD-WBVHZDCISA-N 0 3 343.446 3.583 20 30 EHEDHN CC(C)N(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1F ZINC000346605786 1024944619 /nfs/dbraw/zinc/94/46/19/1024944619.db2.gz JKVZMKURCFOAEX-UHFFFAOYSA-N 0 3 339.414 3.937 20 30 EHEDHN C=C(CN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccccc1 ZINC000346777983 1025114939 /nfs/dbraw/zinc/11/49/39/1025114939.db2.gz KQXCFEAFKUGQJA-AWEZNQCLSA-N 0 3 333.428 3.593 20 30 EHEDHN Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)n1 ZINC000329029382 1025573577 /nfs/dbraw/zinc/57/35/77/1025573577.db2.gz PFGWCYQBWBTYHY-BHIYHBOVSA-N 0 3 340.471 3.505 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COc1ccccc1Cl ZINC000425532429 1025658309 /nfs/dbraw/zinc/65/83/09/1025658309.db2.gz BPRLNYLBALVTAN-WMLDXEAASA-N 0 3 344.842 3.644 20 30 EHEDHN Cc1cccc(C)c1OC[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541561 1025692089 /nfs/dbraw/zinc/69/20/89/1025692089.db2.gz PPLYDCVGAOOZCW-PXNSSMCTSA-N 0 3 338.451 3.608 20 30 EHEDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1CCC(=O)Nc1sccc1C#N ZINC000451422248 1025961376 /nfs/dbraw/zinc/96/13/76/1025961376.db2.gz TYTOENBVTZFAIP-PWSUYJOCSA-N 0 3 345.390 3.611 20 30 EHEDHN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1CN(C)C)c1cccc(C#N)c1 ZINC000425613052 1026065018 /nfs/dbraw/zinc/06/50/18/1026065018.db2.gz VSONMPILFQRNNP-OXJNMPFZSA-N 0 3 347.462 3.571 20 30 EHEDHN CSc1ccccc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000511117658 1026183840 /nfs/dbraw/zinc/18/38/40/1026183840.db2.gz WDNUYSDAPAIEQA-UHFFFAOYSA-N 0 3 337.492 3.992 20 30 EHEDHN CCCCN(CC(=O)Nc1sccc1C#N)[C@@H]1CCCC[C@H]1OC ZINC000451653464 1026189840 /nfs/dbraw/zinc/18/98/40/1026189840.db2.gz SIXZIZPFSBYCIA-HZPDHXFCSA-N 0 3 349.500 3.618 20 30 EHEDHN CC[C@@H]1CCCC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000475322425 1026464815 /nfs/dbraw/zinc/46/48/15/1026464815.db2.gz OVVWGWCVDBPPRS-UXHICEINSA-N 0 3 341.499 3.665 20 30 EHEDHN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000192950994 1026652406 /nfs/dbraw/zinc/65/24/06/1026652406.db2.gz CWASKPREKIGFMU-CABCVRRESA-N 0 3 337.423 3.959 20 30 EHEDHN C=CCCn1cc(CN[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)nn1 ZINC000657486736 1026723022 /nfs/dbraw/zinc/72/30/22/1026723022.db2.gz ISBOJPAWHKZUKJ-WBVHZDCISA-N 0 3 330.863 3.934 20 30 EHEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc2ncsc2c1 ZINC000342770124 1026998363 /nfs/dbraw/zinc/99/83/63/1026998363.db2.gz VVRAZBPKUXVYNA-GFCCVEGCSA-N 0 3 333.420 3.666 20 30 EHEDHN N#CC(C(=O)c1ccc(C2CC2)cn1)c1ccc(C(F)(F)F)cn1 ZINC000531783406 1027373456 /nfs/dbraw/zinc/37/34/56/1027373456.db2.gz OYKCKKBAIJPECO-ZDUSSCGKSA-N 0 3 331.297 3.863 20 30 EHEDHN CN(CC(=O)N(CCC#N)c1ccccc1)C1CCCCCCC1 ZINC000303028877 1027409157 /nfs/dbraw/zinc/40/91/57/1027409157.db2.gz PFQAIHMMCZQPCI-UHFFFAOYSA-N 0 3 327.472 3.978 20 30 EHEDHN CCCN(CC(=O)N(CC)C[C@@H](C)C#N)[C@H](CC)c1ccccc1 ZINC000531841395 1027506236 /nfs/dbraw/zinc/50/62/36/1027506236.db2.gz PJIBAAQDULRNLA-PKOBYXMFSA-N 0 3 329.488 3.858 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCCC[C@@H]1c1ccccc1 ZINC000531841853 1027509283 /nfs/dbraw/zinc/50/92/83/1027509283.db2.gz PZQQVVGHKRETLC-IEBWSBKVSA-N 0 3 327.472 3.612 20 30 EHEDHN CCOc1ccc(SCC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000016168716 1027747617 /nfs/dbraw/zinc/74/76/17/1027747617.db2.gz DRMZYSKLKXSPNA-CQSZACIVSA-N 0 3 332.450 3.819 20 30 EHEDHN COCCN(CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 ZINC000444594838 1028055720 /nfs/dbraw/zinc/05/57/20/1028055720.db2.gz IPQMEHJEBMVDKT-UHFFFAOYSA-N 0 3 334.463 3.997 20 30 EHEDHN C=CCCC[C@@H](C)N1CCN(CC(=O)Nc2ccccc2CC)CC1 ZINC000091507735 1028265832 /nfs/dbraw/zinc/26/58/32/1028265832.db2.gz LOKVHYDGDRHCRS-GOSISDBHSA-N 0 3 343.515 3.550 20 30 EHEDHN COc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000072713531 1028516004 /nfs/dbraw/zinc/51/60/04/1028516004.db2.gz NTHIVTTZCPTERD-UHFFFAOYSA-N 0 3 346.434 3.762 20 30 EHEDHN CN(C[C@H]1CCCN1C)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000421712634 1028710592 /nfs/dbraw/zinc/71/05/92/1028710592.db2.gz QZINWRLCUJMDPN-QGZVFWFLSA-N 0 3 349.434 3.517 20 30 EHEDHN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@@H](N)CCCC#N)c2)C1 ZINC000424104119 1028787457 /nfs/dbraw/zinc/78/74/57/1028787457.db2.gz GGQPZICCDSWADU-MNEFBYGVSA-N 0 3 343.471 3.742 20 30 EHEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000424109426 1028805430 /nfs/dbraw/zinc/80/54/30/1028805430.db2.gz AKNMWSFZFWTIIS-FQEVSTJZSA-N 0 3 335.451 3.822 20 30 EHEDHN Cc1ccccc1[C@H](NC(=O)[C@H](N)CCCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000424111577 1028807936 /nfs/dbraw/zinc/80/79/36/1028807936.db2.gz AUZMLBONPSKGSP-RARDXLECSA-N 0 3 341.499 4.000 20 30 EHEDHN CC(C)Sc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424145522 1028832357 /nfs/dbraw/zinc/83/23/57/1028832357.db2.gz UYZWUCRMMYHWRY-LBPRGKRZSA-N 0 3 325.865 3.800 20 30 EHEDHN CC(C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000424168680 1028868977 /nfs/dbraw/zinc/86/89/77/1028868977.db2.gz IRYYSKFFCNENKS-GJZGRUSLSA-N 0 3 341.377 3.540 20 30 EHEDHN C=CCn1cc(CN[C@H](C)CCCOc2ccc(Cl)c(C)c2)nn1 ZINC000424295262 1028936219 /nfs/dbraw/zinc/93/62/19/1028936219.db2.gz MPLHRDVSFCWIKH-OAHLLOKOSA-N 0 3 348.878 3.763 20 30 EHEDHN CN(C)Cc1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000155852987 1029682204 /nfs/dbraw/zinc/68/22/04/1029682204.db2.gz KNWBOAVIOPPORC-UHFFFAOYSA-N 0 3 337.423 3.683 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCCn1c2ccccc2[nH]c1=O ZINC000583377663 1029741654 /nfs/dbraw/zinc/74/16/54/1029741654.db2.gz WKABFFPTWRCDHN-OAHLLOKOSA-N 0 3 334.423 3.697 20 30 EHEDHN C=CCN(CC=C)C(=O)CN[C@H](Cc1ccccc1)c1cccs1 ZINC000544414757 1029805652 /nfs/dbraw/zinc/80/56/52/1029805652.db2.gz DLGFZNXUWMBOCJ-GOSISDBHSA-N 0 3 340.492 3.822 20 30 EHEDHN CC[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccsc1 ZINC000453198234 1029898345 /nfs/dbraw/zinc/89/83/45/1029898345.db2.gz PKYBHDIBMINXBP-ZWKOTPCHSA-N 0 3 339.464 3.856 20 30 EHEDHN CC[C@H](CN(CC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000481768052 1029936060 /nfs/dbraw/zinc/93/60/60/1029936060.db2.gz PDOBKEPZRRBQOA-UEXGIBASSA-N 0 3 343.515 3.945 20 30 EHEDHN CC[C@H](C)N[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccco1 ZINC000343280012 1030074626 /nfs/dbraw/zinc/07/46/26/1030074626.db2.gz ZEZHULVCCKXETQ-WFASDCNBSA-N 0 3 328.372 3.601 20 30 EHEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCC[C@H]1O ZINC000245544028 1030141358 /nfs/dbraw/zinc/14/13/58/1030141358.db2.gz LAHSEIFBQGFTGE-DOTOQJQBSA-N 0 3 325.374 3.540 20 30 EHEDHN CC[C@@H](NCc1ccc(OC)c(NC(C)=O)c1)c1ccc(C#N)cc1 ZINC000447564676 1030308603 /nfs/dbraw/zinc/30/86/03/1030308603.db2.gz YQDCPFMDZBKZQV-GOSISDBHSA-N 0 3 337.423 3.766 20 30 EHEDHN C[C@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H](C)CN1C ZINC000482527895 1030507845 /nfs/dbraw/zinc/50/78/45/1030507845.db2.gz GAPQQUIXDYMCFO-ROUUACIJSA-N 0 3 349.478 3.662 20 30 EHEDHN C[C@@H](O)C[C@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000447841499 1030530224 /nfs/dbraw/zinc/53/02/24/1030530224.db2.gz YAQLJEFNEDAXIL-GDBMZVCRSA-N 0 3 341.373 3.562 20 30 EHEDHN CCCCN(CC(=O)N(CC)C[C@@H](C)C#N)[C@H](C)c1ccccc1 ZINC000532352106 1030577056 /nfs/dbraw/zinc/57/70/56/1030577056.db2.gz DQBGNZSHIDETRI-ZWKOTPCHSA-N 0 3 329.488 3.858 20 30 EHEDHN C=C(C)CN(CC)C(=O)CNC(C)(C)c1ccc(OCCC)cc1 ZINC000483265252 1031073327 /nfs/dbraw/zinc/07/33/27/1031073327.db2.gz HVQXFPJGHVEJAI-UHFFFAOYSA-N 0 3 332.488 3.725 20 30 EHEDHN COc1ccc([C@@H](CNc2cccc(F)c2C#N)N2CCCC2)cc1 ZINC000026227105 1031391240 /nfs/dbraw/zinc/39/12/40/1031391240.db2.gz DYANGUNZFPVBJD-HXUWFJFHSA-N 0 3 339.414 3.955 20 30 EHEDHN CC(C)Oc1ccc([C@H](C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000551547275 1031441073 /nfs/dbraw/zinc/44/10/73/1031441073.db2.gz IRDXRNLMOPRGCX-HNNXBMFYSA-N 0 3 334.423 3.844 20 30 EHEDHN CN(C)C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528011634 1031590874 /nfs/dbraw/zinc/59/08/74/1031590874.db2.gz PXCZRGNGCTUOJC-GHJWDPDVSA-N 0 3 326.271 3.878 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)NC2COC(C)(C)OC2)cc1 ZINC000757705531 1031738109 /nfs/dbraw/zinc/73/81/09/1031738109.db2.gz NONWDEQSSSPBMD-ZDUSSCGKSA-N 0 3 325.836 3.620 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@@H](CC)c1ccncc1 ZINC000179705560 1031771728 /nfs/dbraw/zinc/77/17/28/1031771728.db2.gz AIRYELFWNIOBQK-PMACEKPBSA-N 0 3 340.467 3.633 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000598600794 1033309795 /nfs/dbraw/zinc/30/97/95/1033309795.db2.gz KAZXGFUXYAIFMM-ZIAGYGMSSA-N 0 3 332.341 3.710 20 30 EHEDHN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594429154 1033365120 /nfs/dbraw/zinc/36/51/20/1033365120.db2.gz RDPGTNIBHCRCSY-SWLSCSKDSA-N 0 3 341.377 3.636 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000594432541 1033368148 /nfs/dbraw/zinc/36/81/48/1033368148.db2.gz CPSKKXAAPBGGSN-LEWJYISDSA-N 0 3 349.478 3.540 20 30 EHEDHN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594435736 1033372253 /nfs/dbraw/zinc/37/22/53/1033372253.db2.gz JNQBPZFVMODJCV-NHYWBVRUSA-N 0 3 342.270 3.924 20 30 EHEDHN Cc1ccc(-c2cccc(CNC(=O)[C@@H](N)CCCCC#N)c2)cc1 ZINC000594445298 1033379572 /nfs/dbraw/zinc/37/95/72/1033379572.db2.gz CUAZIBSHXQIJNX-FQEVSTJZSA-N 0 3 335.451 3.690 20 30 EHEDHN COc1cc(NC(=O)[C@H](N)CCCCC#N)c(C2CC2)cc1Cl ZINC000594455795 1033380885 /nfs/dbraw/zinc/38/08/85/1033380885.db2.gz LOJLSAFQJOMTHS-CQSZACIVSA-N 0 3 335.835 3.576 20 30 EHEDHN N#Cc1ccc(-n2cc(CNC3CCCCC3)nn2)cc1C(F)(F)F ZINC000594657716 1033491594 /nfs/dbraw/zinc/49/15/94/1033491594.db2.gz RZXGYFZLXWFPPA-UHFFFAOYSA-N 0 3 349.360 3.580 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000594951181 1033593836 /nfs/dbraw/zinc/59/38/36/1033593836.db2.gz SOBIDCBDYYAERP-IRLDBZIGSA-N 0 3 348.446 3.893 20 30 EHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCC2CCCC2)c1 ZINC000173959927 1033629390 /nfs/dbraw/zinc/62/93/90/1033629390.db2.gz ICLHXSFGMJPDCQ-KRWDZBQOSA-N 0 3 328.412 3.703 20 30 EHEDHN C=CCOCCN[C@H](c1ccc(OC)cc1Br)C(C)C ZINC000685653771 1033683584 /nfs/dbraw/zinc/68/35/84/1033683584.db2.gz RCHYRGBVGTVEJT-INIZCTEOSA-N 0 3 342.277 3.947 20 30 EHEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472349685 1033748309 /nfs/dbraw/zinc/74/83/09/1033748309.db2.gz SHNPBGUFYUVDDE-LMMKCTJWSA-N 0 3 347.462 3.838 20 30 EHEDHN Cc1ccc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1C#N ZINC000599403001 1033908841 /nfs/dbraw/zinc/90/88/41/1033908841.db2.gz JRIDQFNKQXSSSJ-UHFFFAOYSA-N 0 3 343.434 3.612 20 30 EHEDHN Cc1ccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)cc1C#N ZINC000599423333 1033917466 /nfs/dbraw/zinc/91/74/66/1033917466.db2.gz CEANFENVPIHESR-QFIPXVFZSA-N 0 3 334.463 3.684 20 30 EHEDHN N#CC[C@H]1CCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000595614630 1033926108 /nfs/dbraw/zinc/92/61/08/1033926108.db2.gz LUKHKDMFUKNPRV-CYBMUJFWSA-N 0 3 330.819 3.558 20 30 EHEDHN Cc1ccc2c(c1)CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000595656741 1033937968 /nfs/dbraw/zinc/93/79/68/1033937968.db2.gz DTKABXDKUWKDRX-UHFFFAOYSA-N 0 3 342.446 3.826 20 30 EHEDHN N#Cc1cc2c(nc1NC[C@@H](c1cccs1)N1CCCC1)CCC2 ZINC000603837871 1033950711 /nfs/dbraw/zinc/95/07/11/1033950711.db2.gz AJKOTPBEVWXJOK-KRWDZBQOSA-N 0 3 338.480 3.752 20 30 EHEDHN N#Cc1ccccc1OCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593124925 1034007143 /nfs/dbraw/zinc/00/71/43/1034007143.db2.gz LONKNMDSFSMWHB-BVSLBCMMSA-N 0 3 348.446 3.932 20 30 EHEDHN C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000595959191 1034036293 /nfs/dbraw/zinc/03/62/93/1034036293.db2.gz AVYXUSCLNGGCGC-HKUYNNGSSA-N 0 3 347.890 3.675 20 30 EHEDHN CC[C@H](Cc1ccc(Br)cc1)NC[C@H](C#N)CCC#N ZINC000596066382 1034068954 /nfs/dbraw/zinc/06/89/54/1034068954.db2.gz NWKPXNDZTDQUHF-GOEBONIOSA-N 0 3 334.261 3.803 20 30 EHEDHN COC(=O)CCN(Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596981427 1034479155 /nfs/dbraw/zinc/47/91/55/1034479155.db2.gz OQUAWZUCMLWGOS-UHFFFAOYSA-N 0 3 348.446 3.807 20 30 EHEDHN CN1CCN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H](c2ccccc2)C1 ZINC000596986558 1034484829 /nfs/dbraw/zinc/48/48/29/1034484829.db2.gz WEEXDMZZAPCATB-OAQYLSRUSA-N 0 3 331.463 3.730 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000171776677 1034616534 /nfs/dbraw/zinc/61/65/34/1034616534.db2.gz DRIVWDXPZRVPHQ-FUHWJXTLSA-N 0 3 326.440 3.512 20 30 EHEDHN N#CCOc1ccc(CNCc2ccc(F)c(Br)c2)cc1 ZINC000171769729 1034622762 /nfs/dbraw/zinc/62/27/62/1034622762.db2.gz GXTMQQJANXFVNK-UHFFFAOYSA-N 0 3 349.203 3.780 20 30 EHEDHN C[C@H](CC#N)C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000597358157 1034709367 /nfs/dbraw/zinc/70/93/67/1034709367.db2.gz ZGTNQVTXWRSWHP-LJQANCHMSA-N 0 3 349.478 3.697 20 30 EHEDHN C=C[C@H](CC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000534662862 1034784931 /nfs/dbraw/zinc/78/49/31/1034784931.db2.gz FPCHCILLQBJHEZ-GOSISDBHSA-N 0 3 326.484 3.823 20 30 EHEDHN C[C@@H](NC(=O)CC1(C#N)CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000597524170 1034797287 /nfs/dbraw/zinc/79/72/87/1034797287.db2.gz XXPBQRRFUFSHEH-VQIMIIECSA-N 0 3 327.472 3.658 20 30 EHEDHN N#Cc1ccc(CN(CCCO)[C@@H]2CCCc3ccccc32)s1 ZINC000180000705 1035148280 /nfs/dbraw/zinc/14/82/80/1035148280.db2.gz WSBXGXDVVBTBCN-LJQANCHMSA-N 0 3 326.465 3.882 20 30 EHEDHN CN(CCOCc1ccc(C#N)cc1)CCSc1ccccc1 ZINC000581967059 1035662016 /nfs/dbraw/zinc/66/20/16/1035662016.db2.gz CKOHGOGMXQZZCG-UHFFFAOYSA-N 0 3 326.465 3.799 20 30 EHEDHN N#Cc1ccc(NC(=O)CCN2CCCc3occc3C2)cc1Cl ZINC000582352767 1035729205 /nfs/dbraw/zinc/72/92/05/1035729205.db2.gz XDPWYWHHUKGMCB-UHFFFAOYSA-N 0 3 343.814 3.582 20 30 EHEDHN Cc1ccccc1CN1CCCN(C(=O)CCCCCC#N)CC1 ZINC000588283403 1035880896 /nfs/dbraw/zinc/88/08/96/1035880896.db2.gz PNOXHTUTRVTKSP-UHFFFAOYSA-N 0 3 327.472 3.503 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2nc(Cl)c(C#N)s2)C1 ZINC000324075610 1035913027 /nfs/dbraw/zinc/91/30/27/1035913027.db2.gz YPBWHJLYAGEWNA-CYBMUJFWSA-N 0 3 346.887 3.626 20 30 EHEDHN C=CCC1(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CCC1 ZINC000188489469 1035945062 /nfs/dbraw/zinc/94/50/62/1035945062.db2.gz UUMQKXJSRMYEPY-GOSISDBHSA-N 0 3 326.484 3.856 20 30 EHEDHN Cc1cc(CNCc2ccc(N3CCC(C)CC3)nc2)ccc1C#N ZINC000443963704 1035958403 /nfs/dbraw/zinc/95/84/03/1035958403.db2.gz UOEKEKORFKHVDE-UHFFFAOYSA-N 0 3 334.467 3.788 20 30 EHEDHN CC(C)(C#N)CCCN1CCN(CCOc2ccccc2Cl)CC1 ZINC000174814076 1036123830 /nfs/dbraw/zinc/12/38/30/1036123830.db2.gz WKMIHHCYPGHAQB-UHFFFAOYSA-N 0 3 349.906 3.666 20 30 EHEDHN Cc1oc(NC(=O)CN[C@H](c2ccccc2C)C2CC2)c(C#N)c1C ZINC000272092384 1036218603 /nfs/dbraw/zinc/21/86/03/1036218603.db2.gz YCTBHHVQIOFHNS-IBGZPJMESA-N 0 3 337.423 3.756 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)n(C3CCOCC3)c2C)n1 ZINC000659010764 1036762155 /nfs/dbraw/zinc/76/21/55/1036762155.db2.gz ZKDJWGCSIJAMPL-INIZCTEOSA-N 0 3 343.452 3.711 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2C2CCC2)c1C ZINC000102950154 1036810236 /nfs/dbraw/zinc/81/02/36/1036810236.db2.gz NTRPPFUOVLKPME-FQEVSTJZSA-N 0 3 339.483 3.815 20 30 EHEDHN Cn1cc(CN2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1C#N ZINC000191286742 1036880912 /nfs/dbraw/zinc/88/09/12/1036880912.db2.gz ZHRCAWHGOFJJQG-UHFFFAOYSA-N 0 3 336.414 3.897 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2c(c1)OCCCCO2 ZINC000590653800 1036992357 /nfs/dbraw/zinc/99/23/57/1036992357.db2.gz YAUAQIHUTOGGAM-LJQANCHMSA-N 0 3 334.419 3.887 20 30 EHEDHN C=CCc1cc(CN2CCS[C@H]3CCCC[C@H]32)cc(OC)c1O ZINC000539849736 1037276480 /nfs/dbraw/zinc/27/64/80/1037276480.db2.gz VXOKBDAFKJHGCG-AEFFLSMTSA-N 0 3 333.497 3.989 20 30 EHEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000352889306 1037489017 /nfs/dbraw/zinc/48/90/17/1037489017.db2.gz XZDGKEIEBLSLEM-CJNGLKHVSA-N 0 3 338.398 3.675 20 30 EHEDHN C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000177541218 1037590068 /nfs/dbraw/zinc/59/00/68/1037590068.db2.gz JTCUECVYVAHFLJ-GHTZIAJQSA-N 0 3 347.462 3.811 20 30 EHEDHN C#C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000491655479 1037606581 /nfs/dbraw/zinc/60/65/81/1037606581.db2.gz HRUJSPXHJUKXKO-JOCHJYFZSA-N 0 3 347.437 3.626 20 30 EHEDHN C#C[C@H](NC1CCN(C(=O)CC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000491788537 1037672190 /nfs/dbraw/zinc/67/21/90/1037672190.db2.gz XNEJWTNIHAROAN-SFHVURJKSA-N 0 3 330.447 3.517 20 30 EHEDHN CC[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000341220211 1037784305 /nfs/dbraw/zinc/78/43/05/1037784305.db2.gz PAYYAJYRCWAEQZ-SFHVURJKSA-N 0 3 341.842 3.569 20 30 EHEDHN C=CCNC(=O)CN[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000540360627 1037867276 /nfs/dbraw/zinc/86/72/76/1037867276.db2.gz SERVUSCNYYEWHD-HNNXBMFYSA-N 0 3 328.378 3.684 20 30 EHEDHN C=CCNC(=O)CN[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000540360628 1037868194 /nfs/dbraw/zinc/86/81/94/1037868194.db2.gz SERVUSCNYYEWHD-OAHLLOKOSA-N 0 3 328.378 3.684 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000494219051 1037904461 /nfs/dbraw/zinc/90/44/61/1037904461.db2.gz HABGIDQEOOPREM-CVEARBPZSA-N 0 3 333.501 3.635 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000163884557 1037927352 /nfs/dbraw/zinc/92/73/52/1037927352.db2.gz ISEMUDRITOJWHT-KRWDZBQOSA-N 0 3 348.446 3.676 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540522908 1038050462 /nfs/dbraw/zinc/05/04/62/1038050462.db2.gz FWTVHBZIUQQWBY-KXBFYZLASA-N 0 3 332.463 3.988 20 30 EHEDHN C=CCCn1cc(CNC[C@H](C)c2ccc(Br)cc2)nn1 ZINC000897469413 1038078140 /nfs/dbraw/zinc/07/81/40/1038078140.db2.gz JVAXNHMJTXABNM-ZDUSSCGKSA-N 0 3 349.276 3.510 20 30 EHEDHN CC(C)N(C(=O)c1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592695025 1038100676 /nfs/dbraw/zinc/10/06/76/1038100676.db2.gz SDRZJDNCASWDPU-NRFANRHFSA-N 0 3 347.462 3.683 20 30 EHEDHN C[C@H](c1nc(-c2ccc(CN(C)C)cc2)no1)c1cccc(C#N)c1 ZINC000461803095 1038624330 /nfs/dbraw/zinc/62/43/30/1038624330.db2.gz WWACKRRXHPQVMK-AWEZNQCLSA-N 0 3 332.407 3.822 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccccc1C)C(C)(C)C ZINC000539292985 1038762689 /nfs/dbraw/zinc/76/26/89/1038762689.db2.gz UREAHOBDWUQOQN-KXBFYZLASA-N 0 3 329.488 3.680 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000539335322 1038784254 /nfs/dbraw/zinc/78/42/54/1038784254.db2.gz HYQSLLXENJRJTO-APWZRJJASA-N 0 3 329.488 3.680 20 30 EHEDHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000485341986 1038943635 /nfs/dbraw/zinc/94/36/35/1038943635.db2.gz BRODIWBEYJDULS-NHCUHLMSSA-N 0 3 345.446 3.639 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000237499235 1039155190 /nfs/dbraw/zinc/15/51/90/1039155190.db2.gz JTSVPOLXYFSTIQ-GJZGRUSLSA-N 0 3 338.407 3.599 20 30 EHEDHN C=CCOc1cccc(NC(=O)N(CCC)CCN2CCCCC2)c1 ZINC000554436165 1039339466 /nfs/dbraw/zinc/33/94/66/1039339466.db2.gz BJWHDPPYWJRISO-UHFFFAOYSA-N 0 3 345.487 3.981 20 30 EHEDHN C[C@H](CN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000489206309 1039728135 /nfs/dbraw/zinc/72/81/35/1039728135.db2.gz OJYYLKQBGMMMQP-DYESRHJHSA-N 0 3 347.462 3.789 20 30 EHEDHN Cc1cc2ncc([C@@H](C)N[C@H]3CCCc4cc(C#N)ccc43)c(C)n2n1 ZINC000417372046 1039744765 /nfs/dbraw/zinc/74/47/65/1039744765.db2.gz VLWSKXFFTMSAMO-VLIAUNLRSA-N 0 3 345.450 3.946 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cnc(-c2ccccc2)s1 ZINC000128224420 1039768390 /nfs/dbraw/zinc/76/83/90/1039768390.db2.gz BOVZJDKGDJPJES-OAHLLOKOSA-N 0 3 347.399 3.771 20 30 EHEDHN Cc1cc(C)cc(OC[C@@H](O)CN[C@@H](CCC#N)c2ccccc2)c1 ZINC000553385289 1040036280 /nfs/dbraw/zinc/03/62/80/1040036280.db2.gz WXXYLAWQDNEVHF-FPOVZHCZSA-N 0 3 338.451 3.678 20 30 EHEDHN C=C(C)CN(C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000486347980 1040089274 /nfs/dbraw/zinc/08/92/74/1040089274.db2.gz QGQHJGOUWHLUTG-IBGZPJMESA-N 0 3 329.488 3.677 20 30 EHEDHN CC(C)[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000029197473 1040392724 /nfs/dbraw/zinc/39/27/24/1040392724.db2.gz SCBOWGZWCWQQFR-SJLPKXTDSA-N 0 3 327.472 3.704 20 30 EHEDHN C[C@@H](NC(=O)CN[C@@H](CCCC#N)c1ccccc1)c1cccs1 ZINC000433011507 1040423843 /nfs/dbraw/zinc/42/38/43/1040423843.db2.gz GAOHSXFUTUDDKS-WBVHZDCISA-N 0 3 341.480 3.950 20 30 EHEDHN C[C@@H]1CCC[C@H](NC(=O)CN[C@H](CCCC#N)c2ccccc2)[C@@H]1C ZINC000433029600 1040504891 /nfs/dbraw/zinc/50/48/91/1040504891.db2.gz HCCOFVOYYGPVCL-IZBJGVDFSA-N 0 3 341.499 3.952 20 30 EHEDHN C=C(C)COCCNCc1ccc(Br)cc1SC ZINC000553898018 1040562272 /nfs/dbraw/zinc/56/22/72/1040562272.db2.gz DGXDGPHJYRHUGT-UHFFFAOYSA-N 0 3 330.291 3.853 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(SC(C)C)cc2)CC1 ZINC000490618153 1040641715 /nfs/dbraw/zinc/64/17/15/1040641715.db2.gz VHFHTJVDKYQTNS-MRXNPFEDSA-N 0 3 344.524 3.710 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000067166514 1040758220 /nfs/dbraw/zinc/75/82/20/1040758220.db2.gz RCQUSJXRCOXTRT-HXUWFJFHSA-N 0 3 342.458 3.518 20 30 EHEDHN CC(C)[C@@H]1C[C@H](NCc2cnc3c(C#N)cnn3c2)c2ccccc21 ZINC000600201462 1040833530 /nfs/dbraw/zinc/83/35/30/1040833530.db2.gz MSKNPFPKRPMBHJ-OALUTQOASA-N 0 3 331.423 3.575 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000163654861 1040981498 /nfs/dbraw/zinc/98/14/98/1040981498.db2.gz PIRZMCWYMGDAQY-UONOGXRCSA-N 0 3 338.879 3.772 20 30 EHEDHN CC(C)(C)[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000053618098 1041004283 /nfs/dbraw/zinc/00/42/83/1041004283.db2.gz QEKFRCMVAGOPQF-INIZCTEOSA-N 0 3 327.453 3.935 20 30 EHEDHN CC1CCN([C@H](CNCc2nc(C#N)cs2)c2ccccc2)CC1 ZINC000569860681 1041022831 /nfs/dbraw/zinc/02/28/31/1041022831.db2.gz JZPZFIQSRQGQSR-GOSISDBHSA-N 0 3 340.496 3.578 20 30 EHEDHN C=CCC(C)(C)C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000429880589 1041072230 /nfs/dbraw/zinc/07/22/30/1041072230.db2.gz ACMGZABZGZKSOS-IBGZPJMESA-N 0 3 328.500 3.788 20 30 EHEDHN CCC[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)C ZINC000120506370 1041102440 /nfs/dbraw/zinc/10/24/40/1041102440.db2.gz KOYIFNKGHAIQBK-IBGZPJMESA-N 0 3 329.488 3.521 20 30 EHEDHN CCN(CC)[C@H](CNc1nccc(C#N)c1Cl)c1ccsc1 ZINC000341521542 1041121887 /nfs/dbraw/zinc/12/18/87/1041121887.db2.gz BSWYGJBHEZGFOO-CQSZACIVSA-N 0 3 334.876 3.585 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)SC)cc1 ZINC000156339801 1041125118 /nfs/dbraw/zinc/12/51/18/1041125118.db2.gz LRFHSIWGTWASHX-XJKSGUPXSA-N 0 3 332.469 3.818 20 30 EHEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000156508201 1041277172 /nfs/dbraw/zinc/27/71/72/1041277172.db2.gz UCKACPUOHDYRBI-SKDRFNHKSA-N 0 3 345.251 3.782 20 30 EHEDHN N#Cc1ccc(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000511876076 1041816086 /nfs/dbraw/zinc/81/60/86/1041816086.db2.gz RBQHAOUSNSRSDG-NJDAHSKKSA-N 0 3 345.446 3.765 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000662082624 1042505404 /nfs/dbraw/zinc/50/54/04/1042505404.db2.gz WPPFSFDSMWMLSA-CALCHBBNSA-N 0 3 330.497 3.550 20 30 EHEDHN C#CCCCCCCN[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001167803684 1042793195 /nfs/dbraw/zinc/79/31/95/1042793195.db2.gz DCQVMOLHHXUITK-KRWDZBQOSA-N 0 3 340.389 3.579 20 30 EHEDHN COc1ccc([C@H](CN(C)C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000585765649 1043029412 /nfs/dbraw/zinc/02/94/12/1043029412.db2.gz JEKOXNDHZMWJNL-YADHBBJMSA-N 0 3 349.478 3.837 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000344353656 1043721481 /nfs/dbraw/zinc/72/14/81/1043721481.db2.gz CUAFYSIHPNDZTQ-QFBILLFUSA-N 0 3 348.450 3.651 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(OC(C)(C)C)cn1 ZINC000344633416 1044223986 /nfs/dbraw/zinc/22/39/86/1044223986.db2.gz JXVLVFMRQDITSW-AWEZNQCLSA-N 0 3 348.406 3.636 20 30 EHEDHN C=C(C)COc1cc(CNCc2ccc3c(c2)COC3)ccc1OC ZINC000344999265 1044803587 /nfs/dbraw/zinc/80/35/87/1044803587.db2.gz RBORZDLUUJLYLC-UHFFFAOYSA-N 0 3 339.435 3.970 20 30 EHEDHN CCc1cnccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000183504080 1125578108 /nfs/dbraw/zinc/57/81/08/1125578108.db2.gz LRIRGRMYNXPCBJ-ZDUSSCGKSA-N 0 3 340.333 3.879 20 30 EHEDHN OCC[C@@H]1CCCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000671248167 1126818327 /nfs/dbraw/zinc/81/83/27/1126818327.db2.gz QNGVMJQVPRZRNQ-INIZCTEOSA-N 0 3 341.373 3.564 20 30 EHEDHN C=CCOc1c(Cl)cc(CNCCOC2CCCC2)cc1OC ZINC000623381147 1126941087 /nfs/dbraw/zinc/94/10/87/1126941087.db2.gz CJXAANOSDKYAMP-UHFFFAOYSA-N 0 3 339.863 3.962 20 30 EHEDHN CCN(CC)C(=O)c1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000921524237 1127625353 /nfs/dbraw/zinc/62/53/53/1127625353.db2.gz XTIHWVDEROKPTD-UHFFFAOYSA-N 0 3 349.478 3.947 20 30 EHEDHN C[C@H](NC(=O)Nc1cc(C#N)ccc1F)[C@@H](c1ccccc1)N(C)C ZINC000888365042 1127952529 /nfs/dbraw/zinc/95/25/29/1127952529.db2.gz WZECYOGFDZFQIO-UGSOOPFHSA-N 0 3 340.402 3.510 20 30 EHEDHN CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(C#N)cc3C)ccc2NC1=O ZINC000186322852 1128388112 /nfs/dbraw/zinc/38/81/12/1128388112.db2.gz IUBXWOMZIKPHFV-LIRRHRJNSA-N 0 3 349.434 3.827 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000106275098 1128488633 /nfs/dbraw/zinc/48/86/33/1128488633.db2.gz WFAQOYROZFSLQZ-LJQANCHMSA-N 0 3 345.462 3.713 20 30 EHEDHN CN(C)[C@H](CNc1ccc2cc(C#N)ccc2n1)c1ccc(F)cc1 ZINC000301817153 1128606933 /nfs/dbraw/zinc/60/69/33/1128606933.db2.gz JZEBOCKLWSFSOJ-LJQANCHMSA-N 0 3 334.398 3.960 20 30 EHEDHN C=C(CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000508902047 1128732906 /nfs/dbraw/zinc/73/29/06/1128732906.db2.gz ZUDHWGJSQFJAQQ-PXNSSMCTSA-N 0 3 337.467 3.690 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000494718098 1120747651 /nfs/dbraw/zinc/74/76/51/1120747651.db2.gz AFVPAZCKBQHBOZ-IAGOWNOFSA-N 0 3 335.517 3.881 20 30 EHEDHN COc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1OCC(C)C ZINC000193271925 1120768251 /nfs/dbraw/zinc/76/82/51/1120768251.db2.gz ATVPPMXJADJCEO-CQSZACIVSA-N 0 3 344.436 3.985 20 30 EHEDHN COC[C@H](Cc1ccccc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000542516606 1120882574 /nfs/dbraw/zinc/88/25/74/1120882574.db2.gz RUTRRZYYCPAECQ-IBGZPJMESA-N 0 3 347.380 3.904 20 30 EHEDHN CCOc1ccc(O)c(/C=N\C[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000914558400 1120896422 /nfs/dbraw/zinc/89/64/22/1120896422.db2.gz VVYCCMBNRKAEIG-LRSOKBAUSA-N 0 3 338.451 3.657 20 30 EHEDHN CC(C)(C)OC(=O)N(CC1CC1)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000495589778 1121286834 /nfs/dbraw/zinc/28/68/34/1121286834.db2.gz BFZUGNYSGGXGBE-FUHWJXTLSA-N 0 3 347.503 3.790 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000171706723 1121460991 /nfs/dbraw/zinc/46/09/91/1121460991.db2.gz WWWKUXLXKBVZAB-QGZVFWFLSA-N 0 3 335.879 3.741 20 30 EHEDHN CCc1nnc(SCCN(C)Cc2ccccc2)c(C#N)c1CC ZINC000193745404 1121612983 /nfs/dbraw/zinc/61/29/83/1121612983.db2.gz WBJFAVQOSWWYTE-UHFFFAOYSA-N 0 3 340.496 3.697 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCCC)cc2C)CC1 ZINC000171739073 1121674821 /nfs/dbraw/zinc/67/48/21/1121674821.db2.gz FBJAYNOWDDESJG-UHFFFAOYSA-N 0 3 331.460 3.556 20 30 EHEDHN C#CC[C@@H](CC(F)(F)F)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496148304 1121978503 /nfs/dbraw/zinc/97/85/03/1121978503.db2.gz SLIYQPQNSNXCEM-OCCSQVGLSA-N 0 3 340.345 3.638 20 30 EHEDHN Cc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1C#N ZINC000488151079 1122236966 /nfs/dbraw/zinc/23/69/66/1122236966.db2.gz OUTJIEFYKFEGGH-OAQYLSRUSA-N 0 3 334.419 3.879 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)COc1ccc(C(C)C)c(C)c1 ZINC000916875077 1122377258 /nfs/dbraw/zinc/37/72/58/1122377258.db2.gz QXYJBQPRIJXCMN-SFHVURJKSA-N 0 3 344.455 3.513 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cc(F)cc(F)c1 ZINC000916904524 1122391335 /nfs/dbraw/zinc/39/13/35/1122391335.db2.gz AJKXIJGGUCYGET-LBPRGKRZSA-N 0 3 334.709 3.579 20 30 EHEDHN CC(C)SCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916929849 1122395273 /nfs/dbraw/zinc/39/52/73/1122395273.db2.gz BXLDGDGCVBVZJH-JTQLQIEISA-N 0 3 345.251 3.782 20 30 EHEDHN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000916938322 1122395956 /nfs/dbraw/zinc/39/59/56/1122395956.db2.gz KEAPJBTVTVNBAO-VIFPVBQESA-N 0 3 332.709 3.562 20 30 EHEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000497384735 1122531082 /nfs/dbraw/zinc/53/10/82/1122531082.db2.gz FFXISHBWEFZEJF-OAQYLSRUSA-N 0 3 335.451 3.504 20 30 EHEDHN CC[C@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168524941 1123215106 /nfs/dbraw/zinc/21/51/06/1123215106.db2.gz QEHCRVCDCHRBPA-JHJVBQTASA-N 0 3 349.397 3.599 20 30 EHEDHN C=CCN1CC[C@@H](N[C@H](Cc2ccccc2)c2sccc2C)C1=O ZINC000499624116 1129106964 /nfs/dbraw/zinc/10/69/64/1129106964.db2.gz HNQYRDBYBJBNIM-QZTJIDSGSA-N 0 3 340.492 3.717 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)Cc2cc3ccccc3o2)c1 ZINC000920108877 1123294100 /nfs/dbraw/zinc/29/41/00/1123294100.db2.gz KRPYAOYSRNGVBK-QGZVFWFLSA-N 0 3 332.359 3.631 20 30 EHEDHN CCOc1ccc(O)c(/C=N\C[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000921262044 1123500819 /nfs/dbraw/zinc/50/08/19/1123500819.db2.gz ZBMMDDRBVUIJQB-IAFWPLRWSA-N 0 3 326.440 3.821 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175095684 1123592871 /nfs/dbraw/zinc/59/28/71/1123592871.db2.gz RLZMTQZQVKWPIQ-RYUDHWBXSA-N 0 3 340.876 3.910 20 30 EHEDHN CC[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc(F)cc1F ZINC000179622380 1123809063 /nfs/dbraw/zinc/80/90/63/1123809063.db2.gz CSRHHJXNZHDPBC-HNNXBMFYSA-N 0 3 349.406 3.967 20 30 EHEDHN N#Cc1ccc(Br)c(CNC[C@@H]2CCCC2(F)F)c1 ZINC000922159018 1129177323 /nfs/dbraw/zinc/17/73/23/1129177323.db2.gz LVBYIDQSHJDWFJ-LBPRGKRZSA-N 0 3 329.188 3.846 20 30 EHEDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000181541805 1124920480 /nfs/dbraw/zinc/92/04/80/1124920480.db2.gz MRVNMQPCMYRNRK-INIZCTEOSA-N 0 3 338.455 3.681 20 30 EHEDHN C=CCNC(=O)CN[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000181598818 1124962639 /nfs/dbraw/zinc/96/26/39/1124962639.db2.gz LIAVKKNQRPLVQN-SFHVURJKSA-N 0 3 328.843 3.516 20 30 EHEDHN N#CCSCCCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000080722713 1125088825 /nfs/dbraw/zinc/08/88/25/1125088825.db2.gz QKDCMZXAGXPJAA-SFHVURJKSA-N 0 3 339.464 3.603 20 30 EHEDHN N#Cc1ccc([C@@H](O)CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000763532757 1125326461 /nfs/dbraw/zinc/32/64/61/1125326461.db2.gz JBYZIGXMKJUZCD-KRWDZBQOSA-N 0 3 346.352 3.889 20 30 EHEDHN C[C@H](Oc1ccccc1C#N)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000530633069 1129387404 /nfs/dbraw/zinc/38/74/04/1129387404.db2.gz XAGXPTVDOHMYHL-AWEZNQCLSA-N 0 3 348.406 3.810 20 30 EHEDHN CN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000081189149 1129405758 /nfs/dbraw/zinc/40/57/58/1129405758.db2.gz HYFCTEDJVUOBIP-HXUWFJFHSA-N 0 3 348.450 3.687 20 30 EHEDHN N#Cc1ccccc1SC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000556338274 1129874307 /nfs/dbraw/zinc/87/43/07/1129874307.db2.gz ZMRXQTKOZVTROL-IBGZPJMESA-N 0 3 338.476 3.941 20 30 EHEDHN C[C@@H](C1CC1)N(CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000029841583 1129903197 /nfs/dbraw/zinc/90/31/97/1129903197.db2.gz WKLXJGVWENPRHU-INIZCTEOSA-N 0 3 333.435 3.797 20 30 EHEDHN Cc1ccc([C@H](CNCc2ccc(C#N)cc2F)N2CCCC2)o1 ZINC000347845610 1129918294 /nfs/dbraw/zinc/91/82/94/1129918294.db2.gz BLOLLKKONFDHMA-SFHVURJKSA-N 0 3 327.403 3.526 20 30 EHEDHN CCCn1ccnc1CCCN(C)CC#Cc1ccccc1Cl ZINC000429228347 1130082578 /nfs/dbraw/zinc/08/25/78/1130082578.db2.gz RCQSGEFURWQUQF-UHFFFAOYSA-N 0 3 329.875 3.863 20 30 EHEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)CC1 ZINC000729976962 1130661624 /nfs/dbraw/zinc/66/16/24/1130661624.db2.gz GVKORDNRFAZXAM-FLIBITNWSA-N 0 3 326.484 3.764 20 30 EHEDHN N#Cc1cccc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)c1 ZINC000731847778 1130848996 /nfs/dbraw/zinc/84/89/96/1130848996.db2.gz OFTKYMULKDWNQQ-UHFFFAOYSA-N 0 3 349.434 3.647 20 30 EHEDHN N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731847778 1130849009 /nfs/dbraw/zinc/84/90/09/1130849009.db2.gz OFTKYMULKDWNQQ-UHFFFAOYSA-N 0 3 349.434 3.647 20 30 EHEDHN N#Cc1cccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731847778 1130849016 /nfs/dbraw/zinc/84/90/16/1130849016.db2.gz OFTKYMULKDWNQQ-UHFFFAOYSA-N 0 3 349.434 3.647 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CCc3ccccc3C2)c1 ZINC000732592858 1130936780 /nfs/dbraw/zinc/93/67/80/1130936780.db2.gz CXKSOUXFFNBKKM-OXJNMPFZSA-N 0 3 346.430 3.838 20 30 EHEDHN COc1cc(CN[C@@H](CN(C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000282614816 1131113385 /nfs/dbraw/zinc/11/33/85/1131113385.db2.gz FCYGVJXUTBDPSV-SFHVURJKSA-N 0 3 343.858 3.613 20 30 EHEDHN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000734001903 1131181729 /nfs/dbraw/zinc/18/17/29/1131181729.db2.gz HXWWXARWWOSAGX-IBGZPJMESA-N 0 3 349.450 3.726 20 30 EHEDHN N#CCCCOc1cccc(CN[C@H](CCO)c2cccs2)c1 ZINC000740900639 1131555353 /nfs/dbraw/zinc/55/53/53/1131555353.db2.gz UBXAENYFXIYADY-QGZVFWFLSA-N 0 3 330.453 3.644 20 30 EHEDHN C=CCN(CCc1ccccc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741782426 1131647064 /nfs/dbraw/zinc/64/70/64/1131647064.db2.gz VAUNUXNKBBOLQV-HXUWFJFHSA-N 0 3 336.435 3.743 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741782879 1131647193 /nfs/dbraw/zinc/64/71/93/1131647193.db2.gz YJRBNNAICLHDHQ-DNVCBOLYSA-N 0 3 335.407 3.576 20 30 EHEDHN C[C@H](Cc1c(F)cccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001172847982 1131870161 /nfs/dbraw/zinc/87/01/61/1131870161.db2.gz QWUCPWMQIJVUHW-MEBBXXQBSA-N 0 3 325.836 3.684 20 30 EHEDHN Cc1ccc(F)cc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970257 1131921490 /nfs/dbraw/zinc/92/14/90/1131921490.db2.gz DQSQPVANXCXCRZ-SJORKVTESA-N 0 3 347.434 3.515 20 30 EHEDHN C[C@@H]1CC[C@H](C)N(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744428354 1132096923 /nfs/dbraw/zinc/09/69/23/1132096923.db2.gz IXBITMXTUBGSCJ-RDBSUJKOSA-N 0 3 327.453 3.593 20 30 EHEDHN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CN(C1CCC(C)(C#N)CC1)C2 ZINC001173593195 1132098029 /nfs/dbraw/zinc/09/80/29/1132098029.db2.gz FYXQGEJASZFCJN-VVVNUSAQSA-N 0 3 333.476 3.543 20 30 EHEDHN CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC(C)(C#N)CC1 ZINC001173598352 1132100595 /nfs/dbraw/zinc/10/05/95/1132100595.db2.gz PRDKSTOYXFOARG-LYGPFTKASA-N 0 3 335.492 3.790 20 30 EHEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000745991289 1132344802 /nfs/dbraw/zinc/34/48/02/1132344802.db2.gz VIKJNGPNAQSDRY-MCIONIFRSA-N 0 3 327.453 3.593 20 30 EHEDHN CC(C)(C)[C@H](NCn1cc2c(c(C#N)c1=O)CCC2)c1ccccc1 ZINC000766611740 1132681424 /nfs/dbraw/zinc/68/14/24/1132681424.db2.gz INWWLAWHFWJPOC-LJQANCHMSA-N 0 3 335.451 3.543 20 30 EHEDHN CCN1CCN(c2ccc(Nc3ccc(F)c(C#N)c3F)cc2)CC1 ZINC001175782881 1132765056 /nfs/dbraw/zinc/76/50/56/1132765056.db2.gz XQRYRDMAUAUDSR-UHFFFAOYSA-N 0 3 342.393 3.722 20 30 EHEDHN N#Cc1ccc(-c2ccccc2)nc1N1CCCc2ccc(CN)nc21 ZINC001169583849 1132797106 /nfs/dbraw/zinc/79/71/06/1132797106.db2.gz JYKUHKPJXXLIFU-UHFFFAOYSA-N 0 3 341.418 3.558 20 30 EHEDHN N#Cc1ccc(N2CCN(CC34CCC(CC3)C4)CC2)c(Cl)c1 ZINC001169810625 1132864174 /nfs/dbraw/zinc/86/41/74/1132864174.db2.gz JFVMKIYLBRYSHN-UHFFFAOYSA-N 0 3 329.875 3.914 20 30 EHEDHN CCN1CCN(Cc2ccc(Nc3ccc(F)c(C#N)c3)cc2)CC1 ZINC001176616110 1132972426 /nfs/dbraw/zinc/97/24/26/1132972426.db2.gz WQKZSUOOGFEGRS-UHFFFAOYSA-N 0 3 338.430 3.578 20 30 EHEDHN C[C@H]1CC(N=Nc2cnnc3ccccc23)CN(Cc2ccccc2)C1 ZINC000767381426 1132994372 /nfs/dbraw/zinc/99/43/72/1132994372.db2.gz XIFKGLXVMASNDU-INIZCTEOSA-N 0 3 345.450 3.940 20 30 EHEDHN C=CC[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccncc1 ZINC001177884149 1133109556 /nfs/dbraw/zinc/10/95/56/1133109556.db2.gz AUKYYXHBVULTNG-MRXNPFEDSA-N 0 3 330.815 3.913 20 30 EHEDHN C#CCOc1cccc(Cl)c1CNCC1(CCO)CCCCC1 ZINC001177934289 1133117811 /nfs/dbraw/zinc/11/78/11/1133117811.db2.gz XQEQHXDIVVIDRM-UHFFFAOYSA-N 0 3 335.875 3.775 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000769315213 1133260423 /nfs/dbraw/zinc/26/04/23/1133260423.db2.gz HSCNLSVDEXPSHM-UWJYYQICSA-N 0 3 336.435 3.941 20 30 EHEDHN CC[C@H]1CN(C)c2ccccc2CN1Cc1ccc(C#N)c(OC)c1 ZINC001179974481 1133309037 /nfs/dbraw/zinc/30/90/37/1133309037.db2.gz OBLJRFSWZZKIMZ-IBGZPJMESA-N 0 3 335.451 3.797 20 30 EHEDHN C[C@H](CCC#N)CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001180497253 1133385581 /nfs/dbraw/zinc/38/55/81/1133385581.db2.gz GVCNMYSJYIOJDB-OAHLLOKOSA-N 0 3 339.405 3.763 20 30 EHEDHN C=CCOc1ccccc1CN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000770319747 1133410249 /nfs/dbraw/zinc/41/02/49/1133410249.db2.gz BLVASQQKKDOUQI-QZTJIDSGSA-N 0 3 327.424 3.933 20 30 EHEDHN C[C@]1(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCCS1 ZINC001181373717 1133481326 /nfs/dbraw/zinc/48/13/26/1133481326.db2.gz QZALSJGMKGLNKM-ZWKOTPCHSA-N 0 3 349.931 3.808 20 30 EHEDHN CCCCN(CC)[C@H](C(=O)N1CCC[C@H](C#N)C1)c1ccccc1 ZINC001182236649 1133596505 /nfs/dbraw/zinc/59/65/05/1133596505.db2.gz ZWMIGPQCJVFULO-MJGOQNOKSA-N 0 3 327.472 3.612 20 30 EHEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)sc1C ZINC000774056793 1133596794 /nfs/dbraw/zinc/59/67/94/1133596794.db2.gz YVQKOAXLMOEACO-OAHLLOKOSA-N 0 3 349.415 3.874 20 30 EHEDHN COc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1C#N ZINC000774269959 1133651717 /nfs/dbraw/zinc/65/17/17/1133651717.db2.gz MHHSMQLUKWTWMZ-SFHVURJKSA-N 0 3 337.379 3.642 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCCc2c(C)nn(C)c2C)c([O-])c1 ZINC000774540885 1133726118 /nfs/dbraw/zinc/72/61/18/1133726118.db2.gz IBAJEDCTZJJYIZ-KGENOOAVSA-N 0 3 342.487 3.640 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)OC)cc1 ZINC000786310978 1133835573 /nfs/dbraw/zinc/83/55/73/1133835573.db2.gz DIJKYARUCBMCKT-BBRMVZONSA-N 0 3 330.428 3.663 20 30 EHEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786565252 1133874453 /nfs/dbraw/zinc/87/44/53/1133874453.db2.gz QESISKLHAIOUQS-SWLSCSKDSA-N 0 3 348.393 3.506 20 30 EHEDHN CC(=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1cnn(C(C)(C)C)c1C ZINC000787151643 1133960602 /nfs/dbraw/zinc/96/06/02/1133960602.db2.gz IURPQFUNIVPUBW-UHFFFAOYSA-N 0 3 346.385 3.937 20 30 EHEDHN N#Cc1ccc(CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)nc1 ZINC000788021982 1134074803 /nfs/dbraw/zinc/07/48/03/1134074803.db2.gz JRXDNOZNDMGXKX-ZWKOTPCHSA-N 0 3 341.480 3.883 20 30 EHEDHN Cc1cc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)ccc1C#N ZINC000774879551 1134095705 /nfs/dbraw/zinc/09/57/05/1134095705.db2.gz CPXBLYMRGANHQD-OAQYLSRUSA-N 0 3 338.426 3.951 20 30 EHEDHN N#Cc1ccc(CNc2nc3cccc(Br)c3[nH]2)cc1F ZINC001170095532 1134205755 /nfs/dbraw/zinc/20/57/55/1134205755.db2.gz HTIOXYAZWSUGTP-UHFFFAOYSA-N 0 3 345.175 3.948 20 30 EHEDHN CC[C@H](C)N[C@H](CNc1cc(C)c([N+](=O)[O-])cc1C#N)c1ccco1 ZINC001186404909 1134208791 /nfs/dbraw/zinc/20/87/91/1134208791.db2.gz JAGLCJAFSDQECL-XJKSGUPXSA-N 0 3 342.399 3.909 20 30 EHEDHN CC[C@H](C)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1 ZINC000790182327 1134376958 /nfs/dbraw/zinc/37/69/58/1134376958.db2.gz IXJASOCFGSMAGU-HNNXBMFYSA-N 0 3 325.460 3.503 20 30 EHEDHN C#Cc1ccc(C(=O)N(C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)cc1 ZINC001188727692 1134501636 /nfs/dbraw/zinc/50/16/36/1134501636.db2.gz LFZJZYHLLZDKLI-AVRDEDQJSA-N 0 3 346.474 3.651 20 30 EHEDHN N#CC(C(=O)CCc1cccc([N+](=O)[O-])c1)c1nccc2ccccc21 ZINC000792098581 1134654219 /nfs/dbraw/zinc/65/42/19/1134654219.db2.gz CPHXUGBFXDWLDP-GOSISDBHSA-N 0 3 345.358 3.952 20 30 EHEDHN C#CCOc1ccc(CN(Cc2ccc(O)c(OC)c2)C2CC2)cc1 ZINC000792174820 1134663442 /nfs/dbraw/zinc/66/34/42/1134663442.db2.gz KZMSSNLRQIBKSR-UHFFFAOYSA-N 0 3 337.419 3.577 20 30 EHEDHN N#CC1(c2ccccc2)CCC(N2CCN(c3cccnc3)CC2)CC1 ZINC001170379159 1134766904 /nfs/dbraw/zinc/76/69/04/1134766904.db2.gz RRDPBPBUDKETCG-UHFFFAOYSA-N 0 3 346.478 3.608 20 30 EHEDHN COc1ccc2c(c1)C[C@H](Nc1ccc(/N=C/N(C)C)c(C#N)c1)CC2 ZINC001170414081 1134773973 /nfs/dbraw/zinc/77/39/73/1134773973.db2.gz QJSJJOBMTHYQFV-UEIZDATPSA-N 0 3 348.450 3.758 20 30 EHEDHN CC(C)P(CCNC(=O)c1ccc(C#CC(C)(C)O)cc1)C(C)C ZINC001191188951 1134822802 /nfs/dbraw/zinc/82/28/02/1134822802.db2.gz QHQVULDWLANZBP-UHFFFAOYSA-N 0 3 347.439 3.838 20 30 EHEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)ccc2OC)C1(CC)CC ZINC001191820726 1134929527 /nfs/dbraw/zinc/92/95/27/1134929527.db2.gz HCTGPWOHNGSBAI-RTBURBONSA-N 0 3 330.472 3.982 20 30 EHEDHN CC[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)[C@@H]1C ZINC001193608523 1135158313 /nfs/dbraw/zinc/15/83/13/1135158313.db2.gz YJMXCSOOALDBDL-KZNAEPCWSA-N 0 3 327.472 3.751 20 30 EHEDHN C=CC[C@@H]1N(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCC1(C)C ZINC001193921460 1135204461 /nfs/dbraw/zinc/20/44/61/1135204461.db2.gz XJGFIYLPFBRPAS-KRWDZBQOSA-N 0 3 346.427 3.948 20 30 EHEDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000805762475 1135329247 /nfs/dbraw/zinc/32/92/47/1135329247.db2.gz AWFJBVIHQIJSMT-SFHVURJKSA-N 0 3 343.471 3.828 20 30 EHEDHN CCOc1cccc(CN(CCO)Cc2c(C)cc(C#N)cc2C)c1 ZINC001195155795 1135383618 /nfs/dbraw/zinc/38/36/18/1135383618.db2.gz QTRNVKZQCPSPEC-UHFFFAOYSA-N 0 3 338.451 3.568 20 30 EHEDHN COC(=O)c1cccc(CN2CCC[C@@H]2CC2CCCC2)c1C#N ZINC001195638434 1135445539 /nfs/dbraw/zinc/44/55/39/1135445539.db2.gz JINOKXPTIQMFMT-QGZVFWFLSA-N 0 3 326.440 3.890 20 30 EHEDHN N#Cc1cccc([C@@H](O)CN2CCC3(C=Cc4ccccc4O3)CC2)c1 ZINC001196497736 1135575624 /nfs/dbraw/zinc/57/56/24/1135575624.db2.gz GWFDAWOSAWESSD-FQEVSTJZSA-N 0 3 346.430 3.532 20 30 EHEDHN N#Cc1cccc([C@H](O)CN2CCC3(C=Cc4ccccc4O3)CC2)c1 ZINC001196497739 1135575833 /nfs/dbraw/zinc/57/58/33/1135575833.db2.gz GWFDAWOSAWESSD-HXUWFJFHSA-N 0 3 346.430 3.532 20 30 EHEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCCCCC#N ZINC000808060624 1135610837 /nfs/dbraw/zinc/61/08/37/1135610837.db2.gz CFMBTSDITZHXCO-PKOBYXMFSA-N 0 3 325.456 3.603 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000808426464 1135661078 /nfs/dbraw/zinc/66/10/78/1135661078.db2.gz SKVUVXKCORLXCW-YWZLYKJASA-N 0 3 341.430 3.509 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000808429822 1135674392 /nfs/dbraw/zinc/67/43/92/1135674392.db2.gz PMPGKRNOFPADJH-AUUYWEPGSA-N 0 3 344.842 3.844 20 30 EHEDHN C#C[C@@H](NCCSc1ccnc2cc(Cl)ccc21)[C@H]1CCCO1 ZINC000775788245 1135737014 /nfs/dbraw/zinc/73/70/14/1135737014.db2.gz DVQQVRNJPRETPP-NVXWUHKLSA-N 0 3 346.883 3.751 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2C(C)C)cc1C ZINC000747528561 1135740335 /nfs/dbraw/zinc/74/03/35/1135740335.db2.gz MJYHHOKHZMXJBD-IBGZPJMESA-N 0 3 327.472 3.671 20 30 EHEDHN C=CCCCN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC001198457850 1135817263 /nfs/dbraw/zinc/81/72/63/1135817263.db2.gz MGSHTJLXHNBYCV-SFHVURJKSA-N 0 3 327.472 3.918 20 30 EHEDHN C#C[C@H](NCc1cnc2c(C)cc(Br)cn12)C(C)(C)C ZINC000809780944 1135890428 /nfs/dbraw/zinc/89/04/28/1135890428.db2.gz BBBDMNVJBDVTHR-AWEZNQCLSA-N 0 3 334.261 3.543 20 30 EHEDHN CCN1CCN(Cc2ccc(Nc3ccc(C#N)cc3F)cc2)CC1 ZINC001201569875 1136041797 /nfs/dbraw/zinc/04/17/97/1136041797.db2.gz SCWGXIMJNNMLCH-UHFFFAOYSA-N 0 3 338.430 3.578 20 30 EHEDHN CCCc1cccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC001201969881 1136079686 /nfs/dbraw/zinc/07/96/86/1136079686.db2.gz BJNOYNNNJVLSSP-OAQYLSRUSA-N 0 3 347.462 3.796 20 30 EHEDHN C[C@@H]1C(N=Nc2ccc3c(cc[nH]c3=O)c2)CCN1Cc1ccccc1 ZINC000811648724 1136117243 /nfs/dbraw/zinc/11/72/43/1136117243.db2.gz XLXJNOMLSUNALS-OAHLLOKOSA-N 0 3 346.434 3.590 20 30 EHEDHN C=CCSc1nc2ccccc2n1CN(C(C)C)[C@H]1CCOC1 ZINC000812292028 1136192303 /nfs/dbraw/zinc/19/23/03/1136192303.db2.gz UVIXVULPMOOQHC-HNNXBMFYSA-N 0 3 331.485 3.771 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(C2(C#N)CC2)ccn1 ZINC001170681349 1136225277 /nfs/dbraw/zinc/22/52/77/1136225277.db2.gz NVFZVJSXMIGYJX-AWEZNQCLSA-N 0 3 329.407 3.509 20 30 EHEDHN C#C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(F)cc1 ZINC000812751158 1136242563 /nfs/dbraw/zinc/24/25/63/1136242563.db2.gz LQQGSNZKIPCGIE-HXUWFJFHSA-N 0 3 336.410 3.526 20 30 EHEDHN C#CCCOc1ccc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)cc1 ZINC000850394806 1136248019 /nfs/dbraw/zinc/24/80/19/1136248019.db2.gz DYKIXTOCVMRVEB-FCHUYYIVSA-N 0 3 337.463 3.937 20 30 EHEDHN C#C[C@@H](N[C@@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000812793607 1136250632 /nfs/dbraw/zinc/25/06/32/1136250632.db2.gz ZPWWTYBWRBJZAW-KBXCAEBGSA-N 0 3 327.399 3.738 20 30 EHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000812903207 1136267673 /nfs/dbraw/zinc/26/76/73/1136267673.db2.gz QBGPNIUHJWWURH-MRXNPFEDSA-N 0 3 348.450 3.523 20 30 EHEDHN C[C@H](NCCc1ccc(C#N)cc1)c1cc(Br)ncc1F ZINC000850487947 1136269484 /nfs/dbraw/zinc/26/94/84/1136269484.db2.gz KLNKVLSBDGGGCY-NSHDSACASA-N 0 3 348.219 3.748 20 30 EHEDHN N#CC1(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000850549655 1136283308 /nfs/dbraw/zinc/28/33/08/1136283308.db2.gz JOFAGSUEIVQZCP-UHFFFAOYSA-N 0 3 342.443 3.627 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000173196870 1136360780 /nfs/dbraw/zinc/36/07/80/1136360780.db2.gz MWUUHAIOGJIGKX-KXBFYZLASA-N 0 3 345.462 3.569 20 30 EHEDHN C#CCN(C(=O)c1ccc(C2CCCCC2)cc1)C1CCN(C)CC1 ZINC001134262768 1136438770 /nfs/dbraw/zinc/43/87/70/1136438770.db2.gz QBCFRLPYJRISMN-UHFFFAOYSA-N 0 3 338.495 3.904 20 30 EHEDHN C[C@@H](NCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(C#N)c(F)c1 ZINC000776734918 1136613458 /nfs/dbraw/zinc/61/34/58/1136613458.db2.gz DMUYTVONUIFDMW-CYBMUJFWSA-N 0 3 347.434 3.747 20 30 EHEDHN N#Cc1ccc(CNCc2ccc(N3CCSCC3)cc2)cc1F ZINC000817407112 1136804953 /nfs/dbraw/zinc/80/49/53/1136804953.db2.gz DHSYJWNUEHMREQ-UHFFFAOYSA-N 0 3 341.455 3.540 20 30 EHEDHN N#Cc1ccc(CNCc2ccc(N3CCCCC3=O)cc2)cc1F ZINC000817407387 1136805298 /nfs/dbraw/zinc/80/52/98/1136805298.db2.gz MDTZOCLWXHFYFS-UHFFFAOYSA-N 0 3 337.398 3.504 20 30 EHEDHN COc1cc2c(cc1NC(=O)[C@H](N)CCCC#N)oc1ccccc12 ZINC000818044129 1136860776 /nfs/dbraw/zinc/86/07/76/1136860776.db2.gz PLLVTAHDCSEONB-CQSZACIVSA-N 0 3 337.379 3.554 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2cccc(CSC(C)C)c2C)CC1 ZINC000173364636 1136863853 /nfs/dbraw/zinc/86/38/53/1136863853.db2.gz BLPHGFQWEBCHJX-UHFFFAOYSA-N 0 3 344.524 3.920 20 30 EHEDHN CC(C)(C)N1CC[C@](F)(C(=O)N(c2ccc(C#N)cc2)C2CCC2)C1 ZINC000857676441 1136898627 /nfs/dbraw/zinc/89/86/27/1136898627.db2.gz OVVCDAVBNAFVSZ-HXUWFJFHSA-N 0 3 343.446 3.656 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000819210016 1136925173 /nfs/dbraw/zinc/92/51/73/1136925173.db2.gz QEIPIFYHKTWDAY-ROUUACIJSA-N 0 3 342.826 3.749 20 30 EHEDHN CC(=O)N(C)c1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000858251238 1136952283 /nfs/dbraw/zinc/95/22/83/1136952283.db2.gz NVPRTVVDXRVTHB-UHFFFAOYSA-N 0 3 333.435 3.514 20 30 EHEDHN Cc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1C#N ZINC000859195618 1137007264 /nfs/dbraw/zinc/00/72/64/1137007264.db2.gz SGXGYVLGPKRDCC-CRAIPNDOSA-N 0 3 343.471 3.602 20 30 EHEDHN N#CCOc1ccc(CN2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC000859399144 1137013598 /nfs/dbraw/zinc/01/35/98/1137013598.db2.gz UCCUJXUQCHWIFD-UHFFFAOYSA-N 0 3 340.398 3.771 20 30 EHEDHN C[C@H](CN(C)Cc1ccccc1C(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000860093795 1137044093 /nfs/dbraw/zinc/04/40/93/1137044093.db2.gz HUNWTQDLROCUSO-OAHLLOKOSA-N 0 3 345.487 3.833 20 30 EHEDHN C=CCC[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000772856811 1137049723 /nfs/dbraw/zinc/04/97/23/1137049723.db2.gz RVNXCEDXBSKSRJ-HXUWFJFHSA-N 0 3 343.492 3.899 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000860463311 1137061405 /nfs/dbraw/zinc/06/14/05/1137061405.db2.gz AEAIFAVEIZREOI-RCCFBDPRSA-N 0 3 344.430 3.725 20 30 EHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1 ZINC000860472029 1137062080 /nfs/dbraw/zinc/06/20/80/1137062080.db2.gz ZRGOCTIRUJKKNK-KBPBESRZSA-N 0 3 340.379 3.519 20 30 EHEDHN C[C@@H](COc1ccc(Cl)c(Cl)c1)NCc1ccc(C#N)cn1 ZINC000824231993 1137128882 /nfs/dbraw/zinc/12/88/82/1137128882.db2.gz UTGBZCLIMWCFMS-NSHDSACASA-N 0 3 336.222 3.817 20 30 EHEDHN N#CC(C(=O)CCCc1csc2ccccc12)C(=O)N1CCCC1 ZINC000119904771 1137218376 /nfs/dbraw/zinc/21/83/76/1137218376.db2.gz XKOHAZGKDDIYPF-MRXNPFEDSA-N 0 3 340.448 3.555 20 30 EHEDHN COc1cc(NC(=N)c2ccc3cc(O)ccc3c2)ccc1NC(C)=O ZINC001171181899 1137291207 /nfs/dbraw/zinc/29/12/07/1137291207.db2.gz FHLNHBHXODFSQJ-UHFFFAOYSA-N 0 3 349.390 3.549 20 30 EHEDHN C#Cc1ccc(CN2CC[C@H](C(=O)OC)C[C@@H]2c2ccccc2)cc1 ZINC001144578727 1137310807 /nfs/dbraw/zinc/31/08/07/1137310807.db2.gz KXPNHRHBSILWRT-LEWJYISDSA-N 0 3 333.431 3.794 20 30 EHEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccsc1Br)C2 ZINC000865848740 1137316254 /nfs/dbraw/zinc/31/62/54/1137316254.db2.gz VNEHTDFYLRWVKC-CQSZACIVSA-N 0 3 333.254 3.639 20 30 EHEDHN COc1cccc(-c2nc(CN[C@H](C)Cc3cccc(C#N)c3)co2)c1 ZINC001171202520 1137320185 /nfs/dbraw/zinc/32/01/85/1137320185.db2.gz ZGDLXUPCBMTUKB-OAHLLOKOSA-N 0 3 347.418 3.943 20 30 EHEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1ncc(-c2ccccc2)n1C ZINC000866616187 1137369585 /nfs/dbraw/zinc/36/95/85/1137369585.db2.gz LAHIKNRBSNHFOD-FOIQADDNSA-N 0 3 342.446 3.777 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)s1 ZINC000847008233 1137382501 /nfs/dbraw/zinc/38/25/01/1137382501.db2.gz DXGDHOGFZHUOCR-RBUKOAKNSA-N 0 3 326.465 3.578 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000122434564 1137437078 /nfs/dbraw/zinc/43/70/78/1137437078.db2.gz YVGLBAKNOFGPGW-OAHLLOKOSA-N 0 3 326.415 3.755 20 30 EHEDHN C[C@@H]1CCCCN1c1cccc(NCCOc2ccc(C#N)cc2)n1 ZINC001171482820 1137491088 /nfs/dbraw/zinc/49/10/88/1137491088.db2.gz XRWNYVDVPLOYMS-MRXNPFEDSA-N 0 3 336.439 3.823 20 30 EHEDHN C#CCN(CC#C)[C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171825207 1137511833 /nfs/dbraw/zinc/51/18/33/1137511833.db2.gz PTJWQUXHPQQZET-PIIMJCKOSA-N 0 3 332.488 3.512 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C2CCCCC2)C1 ZINC001171799759 1137513192 /nfs/dbraw/zinc/51/31/92/1137513192.db2.gz RNXXTOULWMSQQN-QAPCUYQASA-N 0 3 325.456 3.787 20 30 EHEDHN COc1ccc(-c2nc(CN[C@@H](C)Cc3ccc(C#N)cc3)co2)cc1 ZINC001172298847 1137549056 /nfs/dbraw/zinc/54/90/56/1137549056.db2.gz HWFMTRUITITBGN-HNNXBMFYSA-N 0 3 347.418 3.943 20 30 EHEDHN Cc1cccc(C(=O)NC2CCN(Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000871922335 1137563201 /nfs/dbraw/zinc/56/32/01/1137563201.db2.gz YBJRLSFIIJZPMI-UHFFFAOYSA-N 0 3 347.462 3.570 20 30 EHEDHN C#CC[C@@H]1CCCN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000825639996 1137586609 /nfs/dbraw/zinc/58/66/09/1137586609.db2.gz WPUNWKQYRUQOOK-SJLPKXTDSA-N 0 3 347.528 3.576 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)c1sccc1C ZINC000876671244 1137658628 /nfs/dbraw/zinc/65/86/28/1137658628.db2.gz WYOJSRFNPNSFBY-JKSUJKDBSA-N 0 3 348.899 3.926 20 30 EHEDHN N#CC1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000877033846 1137668192 /nfs/dbraw/zinc/66/81/92/1137668192.db2.gz PEJMERWHMPJFGT-IUPXNIOVSA-N 0 3 347.890 3.682 20 30 EHEDHN COc1ccc([C@H](C)CCNCc2cc(C#N)cnc2Cl)cc1 ZINC000877042918 1137668605 /nfs/dbraw/zinc/66/86/05/1137668605.db2.gz BSBFLCDUVIAWKF-CYBMUJFWSA-N 0 3 329.831 3.899 20 30 EHEDHN Cc1ccccc1O[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001137119550 1137674875 /nfs/dbraw/zinc/67/48/75/1137674875.db2.gz VIFLKTMPFFLDQC-FQEVSTJZSA-N 0 3 336.435 3.941 20 30 EHEDHN CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H](N)CCCCC#N ZINC000877428760 1137676177 /nfs/dbraw/zinc/67/61/77/1137676177.db2.gz YAZFKXCUAWQXNS-SJORKVTESA-N 0 3 347.890 3.846 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@H](OCc3ccccc3)C2)cc1 ZINC001137120576 1137677522 /nfs/dbraw/zinc/67/75/22/1137677522.db2.gz UVOYSQPPHNAGIT-NRFANRHFSA-N 0 3 336.435 3.770 20 30 EHEDHN C=C(C)COc1cc(CN2CCC(C(C)(C)O)CC2)ccc1OC ZINC000877754708 1137688189 /nfs/dbraw/zinc/68/81/89/1137688189.db2.gz PVLVIILAKJISJI-UHFFFAOYSA-N 0 3 333.472 3.633 20 30 EHEDHN N#Cc1ccc(OC2CCN(C[C@@H]3CCC4(CCC4)O3)CC2)c(F)c1 ZINC000878609909 1137722016 /nfs/dbraw/zinc/72/20/16/1137722016.db2.gz OTWSSWNRULSYOE-KRWDZBQOSA-N 0 3 344.430 3.642 20 30 EHEDHN CCCN1CCc2c(N)sc(Nc3ccc(OC)cc3C#N)c2C1 ZINC001212782838 1137728426 /nfs/dbraw/zinc/72/84/26/1137728426.db2.gz XHMSYPBEPRZZIG-UHFFFAOYSA-N 0 3 342.468 3.722 20 30 EHEDHN CC(C)(C)c1csc(CC2(O)CCN([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000879614029 1137752515 /nfs/dbraw/zinc/75/25/15/1137752515.db2.gz XCEHZWOOJBDJTI-CABCVRRESA-N 0 3 347.528 3.502 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc3c2OC(C)(C)C=C3)CC1 ZINC000880639616 1137783087 /nfs/dbraw/zinc/78/30/87/1137783087.db2.gz GQHLPPDJAZKHOA-UHFFFAOYSA-N 0 3 341.455 3.643 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(OC(=O)CC)c(OCC)c2)cc1 ZINC000883132135 1137845898 /nfs/dbraw/zinc/84/58/98/1137845898.db2.gz HBLDBMWALOZUKN-UHFFFAOYSA-N 0 3 337.419 3.672 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(OC)ccc2Cl)CC1 ZINC000106323719 1137883272 /nfs/dbraw/zinc/88/32/72/1137883272.db2.gz ITFMLVJKSKRBGD-UHFFFAOYSA-N 0 3 337.851 3.511 20 30 EHEDHN Cc1cccnc1[C@H](NCCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000112657278 1137909215 /nfs/dbraw/zinc/90/92/15/1137909215.db2.gz YTVPVELEMDRHCZ-LJQANCHMSA-N 0 3 336.439 3.577 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000118394298 1137933650 /nfs/dbraw/zinc/93/36/50/1137933650.db2.gz MANUHGYGIIIASY-MRXNPFEDSA-N 0 3 348.450 3.905 20 30 EHEDHN C=CCC[C@H](N[C@@H]1CCCn2nc(C(=O)OC)cc21)c1ccccc1 ZINC000886553429 1138094966 /nfs/dbraw/zinc/09/49/66/1138094966.db2.gz NCHYUYDETAQXPD-DLBZAZTESA-N 0 3 339.439 3.802 20 30 EHEDHN C[C@H](Cn1cc(Br)cn1)N[C@@H](CCC#N)c1ccccc1 ZINC000090665306 1138212513 /nfs/dbraw/zinc/21/25/13/1138212513.db2.gz UYJPHUYRCVGQAM-CJNGLKHVSA-N 0 3 347.260 3.669 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000264231105 1138449269 /nfs/dbraw/zinc/44/92/69/1138449269.db2.gz MBMMJFJMPLVOAN-IBGZPJMESA-N 0 3 344.886 3.643 20 30 EHEDHN CC(C)[C@H](C)N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000264452537 1138521040 /nfs/dbraw/zinc/52/10/40/1138521040.db2.gz IIZHLHBSZUCBFJ-GJZGRUSLSA-N 0 3 333.501 3.996 20 30 EHEDHN CC[C@H](CNC(=O)Nc1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000337340329 1138538114 /nfs/dbraw/zinc/53/81/14/1138538114.db2.gz GYMWARKMUDWVJY-HXUWFJFHSA-N 0 3 348.450 3.517 20 30 EHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3ccccn3)n2)cc1 ZINC000338182798 1138778207 /nfs/dbraw/zinc/77/82/07/1138778207.db2.gz VSJWWNLNDOMCRZ-AWEZNQCLSA-N 0 3 334.404 3.759 20 30 EHEDHN C[C@@H]1CC[C@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000429570368 1139310293 /nfs/dbraw/zinc/31/02/93/1139310293.db2.gz ONOMCPGSEIGDEU-ZBFHGGJFSA-N 0 3 333.863 3.707 20 30 EHEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 ZINC000173790523 1139378523 /nfs/dbraw/zinc/37/85/23/1139378523.db2.gz XCIWCPWUEIVHAR-CVEARBPZSA-N 0 3 339.414 3.812 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)CC1 ZINC000174777060 1139440906 /nfs/dbraw/zinc/44/09/06/1139440906.db2.gz WMWAYTFHUNIEAH-CRAIPNDOSA-N 0 3 345.487 3.721 20 30 EHEDHN N#Cc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000176953433 1139589293 /nfs/dbraw/zinc/58/92/93/1139589293.db2.gz HMEWRECRFYPPSS-SFHVURJKSA-N 0 3 326.421 3.632 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000178642694 1139709294 /nfs/dbraw/zinc/70/92/94/1139709294.db2.gz LIILAMDAMBDYHR-HUUCEWRRSA-N 0 3 335.407 3.927 20 30 EHEDHN CCN1CCN(c2ccccc2N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000179774029 1139782037 /nfs/dbraw/zinc/78/20/37/1139782037.db2.gz GLMUUKKHOIHBJP-QGZVFWFLSA-N 0 3 334.467 3.873 20 30 EHEDHN CN(C)[C@@H](CNCc1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000184533714 1140107950 /nfs/dbraw/zinc/10/79/50/1140107950.db2.gz PBEYBIZAOJPOBK-INIZCTEOSA-N 0 3 337.345 3.563 20 30 EHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000184971497 1140128505 /nfs/dbraw/zinc/12/85/05/1140128505.db2.gz OQDYBTUNWMHXGQ-QFBILLFUSA-N 0 3 330.472 3.551 20 30 EHEDHN COC(=O)COc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000190034960 1140380877 /nfs/dbraw/zinc/38/08/77/1140380877.db2.gz XSJVOZMMXGEHHQ-GJZGRUSLSA-N 0 3 338.407 3.522 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000190506223 1140407059 /nfs/dbraw/zinc/40/70/59/1140407059.db2.gz ZKWPGHSCECZSSA-AWEZNQCLSA-N 0 3 325.387 3.697 20 30 EHEDHN COc1cc([C@H](C)NCc2cc(C#N)n(C)c2)ccc1OCC(C)C ZINC000190731320 1140416032 /nfs/dbraw/zinc/41/60/32/1140416032.db2.gz JSNIEMGKXCYZEP-HNNXBMFYSA-N 0 3 341.455 3.791 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192044177 1140498595 /nfs/dbraw/zinc/49/85/95/1140498595.db2.gz KXKWBSXFKVDORK-IEBWSBKVSA-N 0 3 342.826 3.840 20 30 EHEDHN CCCOc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1OC ZINC000266245560 1140658893 /nfs/dbraw/zinc/65/88/93/1140658893.db2.gz YQGUYQREDLNTDO-UHFFFAOYSA-N 0 3 340.423 3.654 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000266448966 1140689253 /nfs/dbraw/zinc/68/92/53/1140689253.db2.gz IVPLSZPCTFWIGQ-JKSUJKDBSA-N 0 3 338.451 3.704 20 30 EHEDHN CCc1nc(C)c([C@H](C)N(C)C[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000268741787 1140980592 /nfs/dbraw/zinc/98/05/92/1140980592.db2.gz ZQVYLFXIDDZPJF-XJKSGUPXSA-N 0 3 329.469 3.612 20 30 EHEDHN CC(C)(C#N)c1ccccc1CN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000268990993 1141040498 /nfs/dbraw/zinc/04/04/98/1141040498.db2.gz SBNGSGZBXYMWNL-UHFFFAOYSA-N 0 3 347.462 3.751 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001573342340 947541929 /nfs/dbraw/zinc/54/19/29/947541929.db2.gz WPFPORZWWTWZEG-RTBURBONSA-N 0 3 349.413 3.550 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001573342340 947541940 /nfs/dbraw/zinc/54/19/40/947541940.db2.gz WPFPORZWWTWZEG-RTBURBONSA-N 0 3 349.413 3.550 20 30 EHEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001573342340 947541949 /nfs/dbraw/zinc/54/19/49/947541949.db2.gz WPFPORZWWTWZEG-RTBURBONSA-N 0 3 349.413 3.550 20 30 EHEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001573342340 947541956 /nfs/dbraw/zinc/54/19/56/947541956.db2.gz WPFPORZWWTWZEG-RTBURBONSA-N 0 3 349.413 3.550 20 30 EHEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000537997305 1032089994 /nfs/dbraw/zinc/08/99/94/1032089994.db2.gz HAZXNZJCUCEKCL-CALCHBBNSA-N 0 3 347.462 3.714 20 30 EHEDHN C=CCOc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1OC ZINC000430145820 1014395517 /nfs/dbraw/zinc/39/55/17/1014395517.db2.gz FNZXTPMHHXFZRF-SFHVURJKSA-N 0 3 331.456 3.509 20 30 EHEDHN Cc1nsc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000342822942 1015425412 /nfs/dbraw/zinc/42/54/12/1015425412.db2.gz GGSZCSSAPIRTRH-GUYCJALGSA-N 0 3 326.469 3.646 20 30 EHEDHN CCc1ccc([C@H](NCC(=O)N(CC)C[C@H](C)C#N)C(C)C)cc1 ZINC000533472090 1015612676 /nfs/dbraw/zinc/61/26/76/1015612676.db2.gz XEGLIJRYWONWOU-OXQOHEQNSA-N 0 3 329.488 3.544 20 30 EHEDHN C=CCCCN(Cc1ccncc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209163341 1015878733 /nfs/dbraw/zinc/87/87/33/1015878733.db2.gz CNKRRTIVICGTQU-GOSISDBHSA-N 0 3 345.487 3.859 20 30 EHEDHN CC[C@H]1Oc2cc([C@H](C)NCc3ccc(CC#N)cc3)ccc2NC1=O ZINC000343741912 1032136896 /nfs/dbraw/zinc/13/68/96/1032136896.db2.gz GZTHWLAZZUVJLP-IFXJQAMLSA-N 0 3 349.434 3.713 20 30 EHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CCCCC1 ZINC000398193943 1016570310 /nfs/dbraw/zinc/57/03/10/1016570310.db2.gz SOKLPOUTKXPIQU-IBGZPJMESA-N 0 3 341.499 3.733 20 30 EHEDHN CN(CCC#N)C(=O)CCN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000376649197 1016951316 /nfs/dbraw/zinc/95/13/16/1016951316.db2.gz QSACZPWSKZDIHK-KRWDZBQOSA-N 0 3 333.863 3.629 20 30 EHEDHN N#Cc1ccccc1OC[C@H](O)CN1CCCCC[C@H]1c1ccco1 ZINC000528391389 1032214460 /nfs/dbraw/zinc/21/44/60/1032214460.db2.gz ZCUHZQYWPWUUCB-MSOLQXFVSA-N 0 3 340.423 3.508 20 30 EHEDHN C[C@H](N[C@@H](C)c1ccc(Cl)c2ccccc21)C(=O)N(C)CCC#N ZINC000184926450 1032345304 /nfs/dbraw/zinc/34/53/04/1032345304.db2.gz FHFGWCQQOAPLPD-KBPBESRZSA-N 0 3 343.858 3.904 20 30 EHEDHN CC1(C)C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C(C)(C)O1 ZINC000536878667 1032381897 /nfs/dbraw/zinc/38/18/97/1032381897.db2.gz UMNYRXGRXRYILJ-HNNXBMFYSA-N 0 3 325.374 3.993 20 30 EHEDHN COc1cccc(-c2noc([C@H](C)NC3CCC(C)(C#N)CC3)n2)c1 ZINC000449279638 1032399368 /nfs/dbraw/zinc/39/93/68/1032399368.db2.gz RTACBGDUHJKLDI-XIWWETDGSA-N 0 3 340.427 3.868 20 30 EHEDHN Cc1ccccc1[C@@H](CC(C)C)NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000537058706 1032496574 /nfs/dbraw/zinc/49/65/74/1032496574.db2.gz SCXAXVOYCDSNSL-QUCCMNQESA-N 0 3 329.488 3.726 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1cccs1 ZINC000537075315 1032508469 /nfs/dbraw/zinc/50/84/69/1032508469.db2.gz OYMUIAGTNYTBFX-ROUUACIJSA-N 0 3 335.517 3.869 20 30 EHEDHN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000537232835 1032570944 /nfs/dbraw/zinc/57/09/44/1032570944.db2.gz RDYWSFCPCPOVIT-FUHWJXTLSA-N 0 3 332.463 3.899 20 30 EHEDHN C[C@]1(NC(=O)CC2(C#N)CCCCC2)CCN(Cc2ccccc2)C1 ZINC000597824254 1032688537 /nfs/dbraw/zinc/68/85/37/1032688537.db2.gz SFGVDCYZXGFTRU-FQEVSTJZSA-N 0 3 339.483 3.631 20 30 EHEDHN C[C@@]1(NC(=O)CC2(C#N)CCCCC2)CCN(Cc2ccccc2)C1 ZINC000597824255 1032687280 /nfs/dbraw/zinc/68/72/80/1032687280.db2.gz SFGVDCYZXGFTRU-HXUWFJFHSA-N 0 3 339.483 3.631 20 30 EHEDHN N#CC(C(=O)C[C@@H]1CCCc2ccccc21)C(=O)NC1CCCCC1 ZINC000171776844 1017268385 /nfs/dbraw/zinc/26/83/85/1017268385.db2.gz FXOZYFXHDVCURL-LPHOPBHVSA-N 0 3 338.451 3.654 20 30 EHEDHN CC(C)(C)CNC(=O)C(C)(C)NCc1ccccc1C(C)(C)C#N ZINC000155442367 1017604911 /nfs/dbraw/zinc/60/49/11/1017604911.db2.gz XZMLNHJJMPTLBR-UHFFFAOYSA-N 0 3 329.488 3.518 20 30 EHEDHN COc1ccc(C#N)cc1CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000377648947 1018121619 /nfs/dbraw/zinc/12/16/19/1018121619.db2.gz HFMSEHJVIVBIRY-NRFANRHFSA-N 0 3 348.446 3.751 20 30 EHEDHN N#Cc1ccc(CN2CCC3(CC3(F)F)CC2)c(OC(F)F)c1 ZINC000593072198 1032769931 /nfs/dbraw/zinc/76/99/31/1032769931.db2.gz DLWIECXBFQXWMY-UHFFFAOYSA-N 0 3 328.309 3.781 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000614402361 1018976108 /nfs/dbraw/zinc/97/61/08/1018976108.db2.gz ASKAZANZNXVCFD-QGZVFWFLSA-N 0 3 328.456 3.811 20 30 EHEDHN Cc1cccc(C)c1OC[C@H](NCCOCCC#N)c1ccccc1 ZINC000549927858 1019154656 /nfs/dbraw/zinc/15/46/56/1019154656.db2.gz HNGIZNTUWQEAKO-FQEVSTJZSA-N 0 3 338.451 3.943 20 30 EHEDHN CN(CCOc1ccc(Cl)cc1)Cc1ccc(OCC#N)cc1 ZINC000729266639 1019256514 /nfs/dbraw/zinc/25/65/14/1019256514.db2.gz AYKMCCLKXCANRD-UHFFFAOYSA-N 0 3 330.815 3.753 20 30 EHEDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCC1(CC#N)CC1 ZINC000430016274 1019780199 /nfs/dbraw/zinc/78/01/99/1019780199.db2.gz FEFZPAXLHJCADK-UHFFFAOYSA-N 0 3 328.847 3.926 20 30 EHEDHN C=CCC[C@H](NCCNC(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000513661834 1019929005 /nfs/dbraw/zinc/92/90/05/1019929005.db2.gz QZXUUXUSIZTHHI-INIZCTEOSA-N 0 3 332.831 3.960 20 30 EHEDHN CC(C)Sc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345111034 1019954605 /nfs/dbraw/zinc/95/46/05/1019954605.db2.gz KKTJEJVJNYGECD-CABCVRRESA-N 0 3 345.512 3.789 20 30 EHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1-c1ccccc1C ZINC000760333694 1032874128 /nfs/dbraw/zinc/87/41/28/1032874128.db2.gz MFZDAHKKNGSDLN-KRWDZBQOSA-N 0 3 330.391 3.683 20 30 EHEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000610475824 1020407920 /nfs/dbraw/zinc/40/79/20/1020407920.db2.gz YVKPGIHUDVPWLN-KRWDZBQOSA-N 0 3 348.450 3.687 20 30 EHEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CCC1 ZINC000933300334 1021064583 /nfs/dbraw/zinc/06/45/83/1021064583.db2.gz YMDGCWUKXGVIQR-LLVKDONJSA-N 0 3 325.239 3.856 20 30 EHEDHN N#CC(C(=O)c1cccnc1C1CC1)c1cc(C(F)(F)F)ccn1 ZINC000518639055 1021381210 /nfs/dbraw/zinc/38/12/10/1021381210.db2.gz VMICRNNQKIIFPJ-ZDUSSCGKSA-N 0 3 331.297 3.863 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000664875326 1021408083 /nfs/dbraw/zinc/40/80/83/1021408083.db2.gz GCKWITVVOQSNGA-NXOAAHMSSA-N 0 3 331.460 3.601 20 30 EHEDHN COc1ccccc1CCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437137333 1021581452 /nfs/dbraw/zinc/58/14/52/1021581452.db2.gz MJLFNMSSKXAWTE-UHFFFAOYSA-N 0 3 346.377 3.843 20 30 EHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@]3(CCCOC3)C2)cc1 ZINC000426450095 1021618177 /nfs/dbraw/zinc/61/81/77/1021618177.db2.gz XANCKECKIJOKNO-SFHVURJKSA-N 0 3 337.385 3.950 20 30 EHEDHN CCCCCn1cc(CN[C@@H](C)CC2(C#N)CCOCC2)c(C)n1 ZINC000602578388 1032995481 /nfs/dbraw/zinc/99/54/81/1032995481.db2.gz DZVQAOJJZFDIQL-INIZCTEOSA-N 0 3 332.492 3.570 20 30 EHEDHN CN(Cc1cc(C#N)cs1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000897625817 1033012097 /nfs/dbraw/zinc/01/20/97/1033012097.db2.gz OXTBKTVHKHEKMM-SFHVURJKSA-N 0 3 349.500 3.699 20 30 EHEDHN CN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000516955950 1021892516 /nfs/dbraw/zinc/89/25/16/1021892516.db2.gz SVLGBHKXLXYJRH-OALUTQOASA-N 0 3 339.483 3.597 20 30 EHEDHN C[C@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(C#N)cc1 ZINC000520216469 1022034337 /nfs/dbraw/zinc/03/43/37/1022034337.db2.gz KDYWESSCXVZOJJ-KKSFZXQISA-N 0 3 336.435 3.967 20 30 EHEDHN O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc(F)c(Cl)c1 ZINC000328908875 1022542187 /nfs/dbraw/zinc/54/21/87/1022542187.db2.gz MJZKZQCYOKXSEJ-BBRMVZONSA-N 0 3 339.798 3.554 20 30 EHEDHN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1C(C)C ZINC000330778559 1022673500 /nfs/dbraw/zinc/67/35/00/1022673500.db2.gz BPJFVMIWIQLVAQ-LBPRGKRZSA-N 0 3 331.460 3.604 20 30 EHEDHN C#C[C@@H](NC1CC2(C1)CO[C@H](C)C2)c1ccc(Br)cc1 ZINC000894669715 1022684814 /nfs/dbraw/zinc/68/48/14/1022684814.db2.gz XRAGIQHHZRIQHB-ZCHDIUTGSA-N 0 3 334.257 3.671 20 30 EHEDHN CC(C)N1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000506394201 1023068835 /nfs/dbraw/zinc/06/88/35/1023068835.db2.gz IEUCOURNCKWQAU-UHFFFAOYSA-N 0 3 349.478 3.663 20 30 EHEDHN O=C1C=C2CN(Cc3cc(F)c(Cl)cc3Cl)CCC2S1 ZINC001232703392 1033108426 /nfs/dbraw/zinc/10/84/26/1033108426.db2.gz SSHHCCRECLQYTQ-CYBMUJFWSA-N 0 3 332.227 3.907 20 30 EHEDHN C=C(C)C(=O)N1CCC2(CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001142511637 1033113838 /nfs/dbraw/zinc/11/38/38/1033113838.db2.gz QBEPPEKGYNMJQB-UHFFFAOYSA-N 0 3 346.474 3.886 20 30 EHEDHN C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]2CCCC[C@@H]12 ZINC000248414736 1023259977 /nfs/dbraw/zinc/25/99/77/1023259977.db2.gz HHFDMEJFHVARLV-PVUWLOKVSA-N 0 3 331.847 3.661 20 30 EHEDHN COCCOc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341758647 1023270067 /nfs/dbraw/zinc/27/00/67/1023270067.db2.gz AMJWOHBLYVILSE-OAQYLSRUSA-N 0 3 336.435 3.751 20 30 EHEDHN CCOc1ccc(O)c(/C=N/C[C@H](c2cccc(OC)c2)N(C)C)c1 ZINC000022769137 1023626720 /nfs/dbraw/zinc/62/67/20/1023626720.db2.gz VBGANOWRPXKRSC-DBRLUCFCSA-N 0 3 342.439 3.521 20 30 EHEDHN N#Cc1ccc(CN(Cc2ccc(F)cc2)C2CCOCC2)s1 ZINC000276989953 1023671108 /nfs/dbraw/zinc/67/11/08/1023671108.db2.gz GRGFCTSPJCFBRB-UHFFFAOYSA-N 0 3 330.428 3.940 20 30 EHEDHN C=CCC[C@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000341937710 1023708842 /nfs/dbraw/zinc/70/88/42/1023708842.db2.gz BYRORLRCHULYJC-INIZCTEOSA-N 0 3 329.831 3.971 20 30 EHEDHN N#CCC1(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000602788704 1033162195 /nfs/dbraw/zinc/16/21/95/1033162195.db2.gz SYRLYYPPMKFNCJ-OAHLLOKOSA-N 0 3 340.402 3.749 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000181218228 1023864595 /nfs/dbraw/zinc/86/45/95/1023864595.db2.gz FKPSXIHYQAUBPZ-UZLBHIALSA-N 0 3 341.499 3.568 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1c1cccc2ccccc21 ZINC000142767942 1024050604 /nfs/dbraw/zinc/05/06/04/1024050604.db2.gz NUOQQTBFHRZNAV-LAUBAEHRSA-N 0 3 349.478 3.985 20 30 EHEDHN C=CC[C@H]1N(C(=O)CC2(N3CCOCC3)CCCC2)CCCC1(C)C ZINC000443853474 1024054740 /nfs/dbraw/zinc/05/47/40/1024054740.db2.gz ATDIMGLAFUOSMX-GOSISDBHSA-N 0 3 348.531 3.615 20 30 EHEDHN CC1(C)CCCN(CCNC(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000330094037 1024316560 /nfs/dbraw/zinc/31/65/60/1024316560.db2.gz SGWTURNETRXFFD-UHFFFAOYSA-N 0 3 349.519 3.990 20 30 EHEDHN N#CCC1(CNCC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000430077762 1024335856 /nfs/dbraw/zinc/33/58/56/1024335856.db2.gz PWGSXPOBTDQTKG-UHFFFAOYSA-N 0 3 333.229 3.508 20 30 EHEDHN Cc1cccc(N2CCN(CCCC3(C#N)CCOCC3)CC2)c1C ZINC000280921607 1024464646 /nfs/dbraw/zinc/46/46/46/1024464646.db2.gz DEUMRAUXDPYTPP-UHFFFAOYSA-N 0 3 341.499 3.526 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCCc1ccccc1 ZINC000533880912 1024509706 /nfs/dbraw/zinc/50/97/06/1024509706.db2.gz NRMVHIDOJDIGQQ-LJQANCHMSA-N 0 3 349.478 3.886 20 30 EHEDHN C=CCOc1cccc(CN2CCC(c3ccnn3CC)CC2)c1 ZINC000435039079 1024562498 /nfs/dbraw/zinc/56/24/98/1024562498.db2.gz AEJRETNKPJBGFV-UHFFFAOYSA-N 0 3 325.456 3.847 20 30 EHEDHN N#CCCSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000840212460 1024586405 /nfs/dbraw/zinc/58/64/05/1024586405.db2.gz JNTFTEUVUAUCNM-CYBMUJFWSA-N 0 3 327.434 3.633 20 30 EHEDHN CC[C@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000514709544 1024686956 /nfs/dbraw/zinc/68/69/56/1024686956.db2.gz SZGMCMWJPXJJLD-VQTJNVASSA-N 0 3 339.483 3.923 20 30 EHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Oc2cccnc2)cc1 ZINC000342324458 1024891949 /nfs/dbraw/zinc/89/19/49/1024891949.db2.gz PPQXKCPBPOMCOC-HNNXBMFYSA-N 0 3 332.407 3.935 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000281498228 1025112641 /nfs/dbraw/zinc/11/26/41/1025112641.db2.gz WLXJBEMVUDDOCS-SFHVURJKSA-N 0 3 329.488 3.647 20 30 EHEDHN COc1cc(CN(C)CCOc2ccccc2Cl)ccc1C#N ZINC000442801670 1025497622 /nfs/dbraw/zinc/49/76/22/1025497622.db2.gz NSAYJOCOGXSXSB-UHFFFAOYSA-N 0 3 330.815 3.731 20 30 EHEDHN Cn1nccc1CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000530358389 1025701534 /nfs/dbraw/zinc/70/15/34/1025701534.db2.gz GQRNOEMJKURVFY-UHFFFAOYSA-N 0 3 348.425 3.676 20 30 EHEDHN C[C@@H]1C[C@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC(=O)N1 ZINC000329310046 1025744521 /nfs/dbraw/zinc/74/45/21/1025744521.db2.gz FRGMDWMWVSIRJL-HYVNUMGLSA-N 0 3 329.444 3.535 20 30 EHEDHN C[C@@H]1C[C@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)CC(=O)N1 ZINC000329358272 1025777506 /nfs/dbraw/zinc/77/75/06/1025777506.db2.gz WZLYBTIAZJZWQF-HZSPNIEDSA-N 0 3 335.473 3.597 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)N2CCCC2)cc1 ZINC000329360451 1025778992 /nfs/dbraw/zinc/77/89/92/1025778992.db2.gz XYMULSIAZOSVFE-SZMVWBNQSA-N 0 3 343.471 3.843 20 30 EHEDHN N#Cc1ccc(Br)c(CN[C@H]2CCOC23CCCC3)c1 ZINC000934390838 1025954920 /nfs/dbraw/zinc/95/49/20/1025954920.db2.gz KSDKFTSXTSWGEE-HNNXBMFYSA-N 0 3 335.245 3.512 20 30 EHEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2Br)[C@@H]2CCCO[C@H]21 ZINC000451483083 1026029298 /nfs/dbraw/zinc/02/92/98/1026029298.db2.gz XHAJKPITGPGJBR-NUEKZKHPSA-N 0 3 349.272 3.614 20 30 EHEDHN CCCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1CC1 ZINC000096970298 1026130971 /nfs/dbraw/zinc/13/09/71/1026130971.db2.gz DDIHVLLSVOPIBR-UHFFFAOYSA-N 0 3 345.512 3.949 20 30 EHEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]2C1 ZINC000451692209 1026234542 /nfs/dbraw/zinc/23/45/42/1026234542.db2.gz DSDVOHWHBOPUBK-LZLYRXPVSA-N 0 3 337.385 3.540 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(OCC(=O)OC)cc1 ZINC000475279634 1026430622 /nfs/dbraw/zinc/43/06/22/1026430622.db2.gz LWGKVOXXYPTVJG-UHFFFAOYSA-N 0 3 339.435 3.817 20 30 EHEDHN C=CCC1(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)CCCCC1 ZINC000452188241 1026554861 /nfs/dbraw/zinc/55/48/61/1026554861.db2.gz CCKKDAOYNKYLLY-LJQANCHMSA-N 0 3 342.483 3.718 20 30 EHEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)nn1 ZINC000657490989 1026739465 /nfs/dbraw/zinc/73/94/65/1026739465.db2.gz QBBVHSYRNDRGEY-NVXWUHKLSA-N 0 3 330.863 3.934 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000054272571 1027041750 /nfs/dbraw/zinc/04/17/50/1027041750.db2.gz PCHHPXGKGHPDDM-LJQANCHMSA-N 0 3 333.378 3.695 20 30 EHEDHN C=CCOc1ccc(CN(C)Cc2ccc(C(=O)OC)cc2)cc1 ZINC000501377665 1027237462 /nfs/dbraw/zinc/23/74/62/1027237462.db2.gz RLCVKPUAXSPNDS-UHFFFAOYSA-N 0 3 325.408 3.670 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OC(F)F ZINC000048789044 1027717957 /nfs/dbraw/zinc/71/79/57/1027717957.db2.gz WWMFRMVXBRFYOK-JTQLQIEISA-N 0 3 338.335 3.552 20 30 EHEDHN N#Cc1ccc(C2=CCN(CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000502528124 1028292565 /nfs/dbraw/zinc/29/25/65/1028292565.db2.gz JJCIFXJEBOWONP-UHFFFAOYSA-N 0 3 343.430 3.988 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2nc3ccccc3cc2Cl)CC1 ZINC000582935377 1028305970 /nfs/dbraw/zinc/30/59/70/1028305970.db2.gz LLJVJXIGSKVGBV-UHFFFAOYSA-N 0 3 343.858 3.659 20 30 EHEDHN C=CCCC[C@H](C)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000091513961 1028368331 /nfs/dbraw/zinc/36/83/31/1028368331.db2.gz UTHDDEDKVFECOP-DLBZAZTESA-N 0 3 347.478 3.515 20 30 EHEDHN C=CCCC[C@@H](C)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000091537589 1028548877 /nfs/dbraw/zinc/54/88/77/1028548877.db2.gz NCYORAIJUDIIRT-LJQANCHMSA-N 0 3 343.515 3.604 20 30 EHEDHN COc1ccccc1[C@H](CNc1ccc(C#N)cn1)N1CCCCC1 ZINC000079948240 1028715836 /nfs/dbraw/zinc/71/58/36/1028715836.db2.gz NMASNXMNCZUEQX-SFHVURJKSA-N 0 3 336.439 3.601 20 30 EHEDHN C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424099231 1028799988 /nfs/dbraw/zinc/79/99/88/1028799988.db2.gz UXHMSQKLWSCDIN-RDJZCZTQSA-N 0 3 341.480 3.859 20 30 EHEDHN Cc1ccc(OCc2ccccc2)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424178878 1028853021 /nfs/dbraw/zinc/85/30/21/1028853021.db2.gz XQDUYPXGHOJFHG-QGZVFWFLSA-N 0 3 337.423 3.534 20 30 EHEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)nn1 ZINC000424292983 1028933626 /nfs/dbraw/zinc/93/36/26/1028933626.db2.gz HVTUWTCZEUUSSH-MAUKXSAKSA-N 0 3 330.863 3.619 20 30 EHEDHN C=CCn1cc(CN[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)nn1 ZINC000424294878 1028937061 /nfs/dbraw/zinc/93/70/61/1028937061.db2.gz LNJWPYCGKXKCRR-RDJZCZTQSA-N 0 3 330.863 3.934 20 30 EHEDHN N#CCCN(C(=O)CN1CCC[C@H]1C1CCC1)c1cccc(Cl)c1 ZINC000343123609 1029315657 /nfs/dbraw/zinc/31/56/57/1029315657.db2.gz VBDBCNDXBHHGAB-SFHVURJKSA-N 0 3 345.874 3.851 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2OCC(C)C)CC1 ZINC000524669016 1029429780 /nfs/dbraw/zinc/42/97/80/1029429780.db2.gz JFVFWCHKHHIDMR-UHFFFAOYSA-N 0 3 345.487 3.883 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C2CCCCC2)c1 ZINC000015256768 1029504710 /nfs/dbraw/zinc/50/47/10/1029504710.db2.gz ORXVICWFJODWGE-UHFFFAOYSA-N 0 3 327.472 3.815 20 30 EHEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533290804 1029583572 /nfs/dbraw/zinc/58/35/72/1029583572.db2.gz MXNINHXJRNALAQ-IIYDPXPESA-N 0 3 331.847 3.803 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1(C)CCCCC1 ZINC000509680970 1029768398 /nfs/dbraw/zinc/76/83/98/1029768398.db2.gz SMFYHHHNNPBQDE-UHFFFAOYSA-N 0 3 341.499 3.809 20 30 EHEDHN C=CCC[C@H](O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272900847 1029816696 /nfs/dbraw/zinc/81/66/96/1029816696.db2.gz ZRSPGEOWWBBUQL-HKUYNNGSSA-N 0 3 330.859 3.936 20 30 EHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(N3CCCC3)nc2)n1 ZINC000156455497 1029842643 /nfs/dbraw/zinc/84/26/43/1029842643.db2.gz JSMKASIVROVIQX-AWEZNQCLSA-N 0 3 340.452 3.752 20 30 EHEDHN CC[C@@H]1C[C@@H](CN2CCN(c3ccc(C#N)cc3Cl)CC2)CCO1 ZINC000446919561 1029854145 /nfs/dbraw/zinc/85/41/45/1029854145.db2.gz UKOZTMCQMXPCOV-DLBZAZTESA-N 0 3 347.890 3.539 20 30 EHEDHN CC[C@H]1C[C@@H](CN2CCN(c3ccc(C#N)cc3Cl)CC2)CCO1 ZINC000446919566 1029854806 /nfs/dbraw/zinc/85/48/06/1029854806.db2.gz UKOZTMCQMXPCOV-IRXDYDNUSA-N 0 3 347.890 3.539 20 30 EHEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000467518070 1029883220 /nfs/dbraw/zinc/88/32/20/1029883220.db2.gz JASXOGFNKPKGPQ-QUCCMNQESA-N 0 3 332.488 3.797 20 30 EHEDHN CC[C@H](CN(CC)CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000481746423 1029893319 /nfs/dbraw/zinc/89/33/19/1029893319.db2.gz FTCOYCFCFNJENV-HXUWFJFHSA-N 0 3 349.478 3.690 20 30 EHEDHN CC(C)CCN(CCC#N)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429700287 1029953564 /nfs/dbraw/zinc/95/35/64/1029953564.db2.gz ZJQWSGPCEFSMOA-OAQYLSRUSA-N 0 3 343.515 3.539 20 30 EHEDHN C=CCCOCCNCc1cc2ccccc2nc1N1CCCCC1 ZINC000120875563 1030100501 /nfs/dbraw/zinc/10/05/01/1030100501.db2.gz JQYODILZIBEMJL-UHFFFAOYSA-N 0 3 339.483 3.907 20 30 EHEDHN CC[C@@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000278339060 1030246257 /nfs/dbraw/zinc/24/62/57/1030246257.db2.gz XFFAEJKSROYQLX-FGZHOGPDSA-N 0 3 349.478 3.672 20 30 EHEDHN CC[C@H](NCCOc1ccc(C#N)cc1OC)c1ccccc1F ZINC000593063615 1030336249 /nfs/dbraw/zinc/33/62/49/1030336249.db2.gz HNMOLIJMWIXVLA-KRWDZBQOSA-N 0 3 328.387 3.826 20 30 EHEDHN CC[C@@H](C)CN(C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000532098089 1030396341 /nfs/dbraw/zinc/39/63/41/1030396341.db2.gz IMJCZVBAFWGAHH-CQSZACIVSA-N 0 3 335.879 3.873 20 30 EHEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1CCC(C)C ZINC000160051246 1030502376 /nfs/dbraw/zinc/50/23/76/1030502376.db2.gz QKAVQAQOTMRPGA-OAHLLOKOSA-N 0 3 349.438 3.614 20 30 EHEDHN C[C@@H](O)C[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000447830604 1030521157 /nfs/dbraw/zinc/52/11/57/1030521157.db2.gz KZXVPJZULDJSKB-RHSMWYFYSA-N 0 3 325.374 3.682 20 30 EHEDHN Cc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000160191679 1030579614 /nfs/dbraw/zinc/57/96/14/1030579614.db2.gz DYCUWIGOVPISAY-ZBFHGGJFSA-N 0 3 327.403 3.918 20 30 EHEDHN COc1ccc2c(c1)CCCN(CCCOc1ccc(C#N)cc1)C2 ZINC000728575312 1030595901 /nfs/dbraw/zinc/59/59/01/1030595901.db2.gz VLKAWYNVWKLRAK-UHFFFAOYSA-N 0 3 336.435 3.784 20 30 EHEDHN C=CCOc1ccc(CN[C@@H]2CCO[C@@H]2c2cccnc2)cc1Cl ZINC000343387929 1030630889 /nfs/dbraw/zinc/63/08/89/1030630889.db2.gz NGEPGNVUYAZSKH-IEBWSBKVSA-N 0 3 344.842 3.920 20 30 EHEDHN Cn1cc(CNCc2ccccc2COCc2ccccc2)cc1C#N ZINC000190761744 1030934188 /nfs/dbraw/zinc/93/41/88/1030934188.db2.gz FPOJWDDGQCTLKK-UHFFFAOYSA-N 0 3 345.446 3.903 20 30 EHEDHN CCOc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000527808767 1031242886 /nfs/dbraw/zinc/24/28/86/1031242886.db2.gz COUIQKBUPXLSTO-UHFFFAOYSA-N 0 3 336.435 3.752 20 30 EHEDHN C=C(CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000484640709 1031808408 /nfs/dbraw/zinc/80/84/08/1031808408.db2.gz HINZQNPYPWFFOL-GHTZIAJQSA-N 0 3 349.478 3.835 20 30 EHEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc(F)cc(C#N)c1)c1ccco1 ZINC000603070708 1033359388 /nfs/dbraw/zinc/35/93/88/1033359388.db2.gz RWVRDEVVBMXYMJ-WBMJQRKESA-N 0 3 344.390 3.541 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1COc1ccccc1 ZINC000594430063 1033367089 /nfs/dbraw/zinc/36/70/89/1033367089.db2.gz ZPEJZFDWCUDMQD-GOSISDBHSA-N 0 3 337.423 3.615 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000594431258 1033369631 /nfs/dbraw/zinc/36/96/31/1033369631.db2.gz KFXIXSWEUBQGPR-QGZVFWFLSA-N 0 3 348.450 3.731 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000594433535 1033371141 /nfs/dbraw/zinc/37/11/41/1033371141.db2.gz GOKXDAPWOXOGQG-LPHOPBHVSA-N 0 3 338.455 3.633 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000594438362 1033374079 /nfs/dbraw/zinc/37/40/79/1033374079.db2.gz MUZGDTOIIRZJIS-FQEVSTJZSA-N 0 3 333.435 3.607 20 30 EHEDHN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594441877 1033376425 /nfs/dbraw/zinc/37/64/25/1033376425.db2.gz AGFCFIVWHSRFAH-WDSOQIARSA-N 0 3 327.472 3.706 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000594446923 1033379486 /nfs/dbraw/zinc/37/94/86/1033379486.db2.gz ZJZLCDUEPVPFDS-INIZCTEOSA-N 0 3 347.422 3.580 20 30 EHEDHN CC(C)CCOc1ccc(NC(=O)[C@H](N)CCCCC#N)c(F)c1 ZINC000594456731 1033381643 /nfs/dbraw/zinc/38/16/43/1033381643.db2.gz QJBWCSFRTBPKSQ-MRXNPFEDSA-N 0 3 335.423 3.600 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000594447918 1033382136 /nfs/dbraw/zinc/38/21/36/1033382136.db2.gz XNGKJWPGRPQATD-SJORKVTESA-N 0 3 341.480 3.559 20 30 EHEDHN CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@H](N)CCCCC#N ZINC000598666139 1033386968 /nfs/dbraw/zinc/38/69/68/1033386968.db2.gz ILDJUCVAWFVADT-QGZVFWFLSA-N 0 3 335.879 3.736 20 30 EHEDHN Cc1cccc(C2(CNC(=O)[C@H](N)CCCCC#N)CCCCC2)c1 ZINC000594426528 1033388436 /nfs/dbraw/zinc/38/84/36/1033388436.db2.gz DMXOLCJUVVIUJH-LJQANCHMSA-N 0 3 341.499 3.724 20 30 EHEDHN COC(=O)c1ccc2c(c1)[C@@H](N[C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000594499763 1033401358 /nfs/dbraw/zinc/40/13/58/1033401358.db2.gz JAHCJVZJCHTSHG-SFTDATJTSA-N 0 3 346.430 3.999 20 30 EHEDHN CC(C)N(C)c1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000594522546 1033429634 /nfs/dbraw/zinc/42/96/34/1033429634.db2.gz ZOSFFUHQGLHFCO-UHFFFAOYSA-N 0 3 334.467 3.967 20 30 EHEDHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424194688 1033437411 /nfs/dbraw/zinc/43/74/11/1033437411.db2.gz LRLAHBOCCRBMMI-FUHWJXTLSA-N 0 3 342.874 3.984 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C3CC3)nc3ccccc32)CC1 ZINC000106038899 1033530133 /nfs/dbraw/zinc/53/01/33/1033530133.db2.gz BPBKFWVFJKEYPU-UHFFFAOYSA-N 0 3 349.478 3.883 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CC2CC2)C2CCCCC2)CC1 ZINC000106340672 1033570963 /nfs/dbraw/zinc/57/09/63/1033570963.db2.gz JIJOLZPLNHFSNJ-UHFFFAOYSA-N 0 3 333.520 3.781 20 30 EHEDHN CC(C)n1ncc2cc(CNC(C)(C)c3cccc(C#N)c3)cnc21 ZINC000594968681 1033576514 /nfs/dbraw/zinc/57/65/14/1033576514.db2.gz NKUQFEJQPUHFQH-UHFFFAOYSA-N 0 3 333.439 3.909 20 30 EHEDHN COc1ccc([C@@H](CN(C)C)NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594941405 1033588884 /nfs/dbraw/zinc/58/88/84/1033588884.db2.gz SKQRSOHUFVNKPF-OAQYLSRUSA-N 0 3 349.478 3.643 20 30 EHEDHN CCOC(=O)c1[nH]c(C)c(CN[C@H](C)c2ccc(C#N)cc2)c1C ZINC000598955113 1033608647 /nfs/dbraw/zinc/60/86/47/1033608647.db2.gz GEDPNBTVNXTWQE-CYBMUJFWSA-N 0 3 325.412 3.531 20 30 EHEDHN CC(C)(C)OC(=O)[C@](C)(CNCc1ccc(C#N)o1)c1ccccc1 ZINC000593680781 1033742978 /nfs/dbraw/zinc/74/29/78/1033742978.db2.gz PEJJWLCRHUMNKU-HXUWFJFHSA-N 0 3 340.423 3.540 20 30 EHEDHN C=CCC[C@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000574982594 1033748413 /nfs/dbraw/zinc/74/84/13/1033748413.db2.gz DGQZBAGPMQCHRN-DOMZBBRYSA-N 0 3 349.418 3.735 20 30 EHEDHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1C#N ZINC000599258397 1033839718 /nfs/dbraw/zinc/83/97/18/1033839718.db2.gz FJDXSVWWPVJGID-UHFFFAOYSA-N 0 3 333.435 3.717 20 30 EHEDHN Cc1nc([C@H](C)NC2CCN(Cc3cccc(C#N)c3)CC2)cs1 ZINC000593723797 1033862210 /nfs/dbraw/zinc/86/22/10/1033862210.db2.gz ZKCOVOYOBMPCIC-AWEZNQCLSA-N 0 3 340.496 3.638 20 30 EHEDHN COC(=O)C(C)(C)[C@H](NCc1ccc(C)c(C#N)c1)c1ccccc1 ZINC000599355142 1033888344 /nfs/dbraw/zinc/88/83/44/1033888344.db2.gz UXDZWQAVLAEDGO-LJQANCHMSA-N 0 3 336.435 3.897 20 30 EHEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000595614376 1033926582 /nfs/dbraw/zinc/92/65/82/1033926582.db2.gz GXDOYSDSKPBHAT-GFCCVEGCSA-N 0 3 340.254 3.948 20 30 EHEDHN C=CCC1(NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 ZINC000595780644 1033996399 /nfs/dbraw/zinc/99/63/99/1033996399.db2.gz XIHQPJBORQBDQA-UHFFFAOYSA-N 0 3 328.372 3.623 20 30 EHEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCCCc1ccccc1 ZINC000603894092 1034016539 /nfs/dbraw/zinc/01/65/39/1034016539.db2.gz KKTUKCVNCZYWJW-SFHVURJKSA-N 0 3 341.499 3.672 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599580864 1034023054 /nfs/dbraw/zinc/02/30/54/1034023054.db2.gz GYXVIHPNHJWJGC-RVKKMQEKSA-N 0 3 328.456 3.919 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599587026 1034028978 /nfs/dbraw/zinc/02/89/78/1034028978.db2.gz KKXYNNSSSGCHIZ-RKVPGOIHSA-N 0 3 328.456 3.919 20 30 EHEDHN CC[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1cc(C)ccc1C ZINC000599641154 1034063948 /nfs/dbraw/zinc/06/39/48/1034063948.db2.gz PWAZHKWQGCLEEM-HXUWFJFHSA-N 0 3 335.451 3.532 20 30 EHEDHN N#Cc1cc2cccnc2nc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000596079670 1034071300 /nfs/dbraw/zinc/07/13/00/1034071300.db2.gz VNBVIXGGJMXXFO-IBGZPJMESA-N 0 3 343.434 3.578 20 30 EHEDHN C[C@H]1C[C@H](Nc2nc(C#N)c(Cl)s2)CCN1Cc1ccccc1 ZINC000596152788 1034094281 /nfs/dbraw/zinc/09/42/81/1034094281.db2.gz MNDGZQFDBNWFIN-GXTWGEPZSA-N 0 3 346.887 3.555 20 30 EHEDHN CCN(CC)[C@H](C/N=C\c1cc(OC)ccc1O)c1ccsc1 ZINC000255831983 1034496974 /nfs/dbraw/zinc/49/69/74/1034496974.db2.gz LKTIVCZHRQPJJR-HPKGMJOESA-N 0 3 332.469 3.964 20 30 EHEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccc(C2(C#N)CC2)cc1 ZINC000597121872 1034550113 /nfs/dbraw/zinc/55/01/13/1034550113.db2.gz SSDWNHPUWJUKEW-UXHICEINSA-N 0 3 344.462 3.796 20 30 EHEDHN C=CCOc1cccc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179738074 1034588061 /nfs/dbraw/zinc/58/80/61/1034588061.db2.gz OHOFJTBVDCGXMT-KRWDZBQOSA-N 0 3 346.471 3.598 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(Cn3cccn3)cc2)cc1 ZINC000172112624 1034819444 /nfs/dbraw/zinc/81/94/44/1034819444.db2.gz VGRUADHEFZVAOV-UHFFFAOYSA-N 0 3 345.446 3.623 20 30 EHEDHN N#Cc1csc(CNC[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000177705065 1035334573 /nfs/dbraw/zinc/33/45/73/1035334573.db2.gz MGYSRCKNAHWABT-ZDUSSCGKSA-N 0 3 327.236 3.750 20 30 EHEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@@H](C)C2CC2)c1C#N ZINC000571827137 1035748956 /nfs/dbraw/zinc/74/89/56/1035748956.db2.gz BEAPMSONJJSONU-HNNXBMFYSA-N 0 3 342.487 3.761 20 30 EHEDHN N#Cc1ccc(OCCN[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000090107362 1036041378 /nfs/dbraw/zinc/04/13/78/1036041378.db2.gz QXJZWSYWUKXBOR-GOSISDBHSA-N 0 3 326.371 3.580 20 30 EHEDHN COc1ccc(OC)c(CNCCSCc2ccccc2C#N)c1 ZINC000170670659 1036084851 /nfs/dbraw/zinc/08/48/51/1036084851.db2.gz GPDGXHSXWOVSRX-UHFFFAOYSA-N 0 3 342.464 3.598 20 30 EHEDHN CC[C@@H]1CN(CC(=O)N(CC)C[C@@H](C)C#N)CC[C@@H]1c1ccccc1 ZINC000470370525 1036285243 /nfs/dbraw/zinc/28/52/43/1036285243.db2.gz ZEPAXZNQJYUXGP-NSHGMRRFSA-N 0 3 341.499 3.510 20 30 EHEDHN C=CCOc1ccccc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000589185046 1036295854 /nfs/dbraw/zinc/29/58/54/1036295854.db2.gz UEARQWVMEJLPJE-UHFFFAOYSA-N 0 3 326.396 3.834 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CO[C@@H](C)CC)cc1 ZINC000152382927 1036488276 /nfs/dbraw/zinc/48/82/76/1036488276.db2.gz CHZGSKNIWTVLAV-KEYYUXOJSA-N 0 3 330.428 3.663 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)Cc2cc(C)cc(C)c2)CC1 ZINC000176498678 1036631856 /nfs/dbraw/zinc/63/18/56/1036631856.db2.gz HNTBJOPELVPWKS-GOSISDBHSA-N 0 3 343.515 3.574 20 30 EHEDHN CC(C)[C@H](C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)N(C)C ZINC000542059289 1037020042 /nfs/dbraw/zinc/02/00/42/1037020042.db2.gz BKDBCNBUSUQKON-IIBYNOLFSA-N 0 3 349.478 3.989 20 30 EHEDHN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)[C@@H](C)CN1Cc1ccccc1 ZINC001168191225 1037086842 /nfs/dbraw/zinc/08/68/42/1037086842.db2.gz BKPBFKBZZYFKFF-IRXDYDNUSA-N 0 3 337.442 3.792 20 30 EHEDHN CC(CCN1CCC[C@](C)(C#N)C1)CCN1CCC[C@](C)(C#N)C1 ZINC000591026525 1037208395 /nfs/dbraw/zinc/20/83/95/1037208395.db2.gz JKXHYCOPCBDYFF-WOJBJXKFSA-N 0 3 330.520 3.654 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C2CCC2)C1 ZINC000591062107 1037223246 /nfs/dbraw/zinc/22/32/46/1037223246.db2.gz VYKCWQJUPGURIA-NVXWUHKLSA-N 0 3 343.446 3.583 20 30 EHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000532578209 1037689407 /nfs/dbraw/zinc/68/94/07/1037689407.db2.gz NBEULFJVHNCSOW-GFCCVEGCSA-N 0 3 325.250 3.674 20 30 EHEDHN CC[C@H](C)N(CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1 ZINC000046171382 1037792590 /nfs/dbraw/zinc/79/25/90/1037792590.db2.gz IZYSKQPAEHTILH-KRWDZBQOSA-N 0 3 327.472 3.630 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000540325898 1037819944 /nfs/dbraw/zinc/81/99/44/1037819944.db2.gz IUZZJJIQCNEDQG-DLBZAZTESA-N 0 3 330.472 3.714 20 30 EHEDHN Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NCc1ccc(C#N)cc1 ZINC000540358660 1037862551 /nfs/dbraw/zinc/86/25/51/1037862551.db2.gz GALPREQYVXSNLC-OAQYLSRUSA-N 0 3 349.478 3.860 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCCC(C)(C)c2ccccc2)CC1 ZINC000592295201 1037913654 /nfs/dbraw/zinc/91/36/54/1037913654.db2.gz HUZJIFXQVMOARI-UHFFFAOYSA-N 0 3 343.515 3.694 20 30 EHEDHN N#CC[C@]1(O)CCN(Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000592524721 1038023506 /nfs/dbraw/zinc/02/35/06/1038023506.db2.gz ZMRXNSLHZCPKHP-QFIPXVFZSA-N 0 3 345.446 3.540 20 30 EHEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000041517975 1038115231 /nfs/dbraw/zinc/11/52/31/1038115231.db2.gz NLNCKRGDMURSGD-ZDUSSCGKSA-N 0 3 328.393 3.515 20 30 EHEDHN CCOc1ccccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555324 1038119360 /nfs/dbraw/zinc/11/93/60/1038119360.db2.gz HVFJDVOGSGTDOO-CYBMUJFWSA-N 0 3 334.297 3.989 20 30 EHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC=CCCC1 ZINC001125870607 1038382380 /nfs/dbraw/zinc/38/23/80/1038382380.db2.gz JIDQGVWXEHXNQC-HXUWFJFHSA-N 0 3 339.483 3.585 20 30 EHEDHN C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1cccc(C#N)c1 ZINC000461749826 1038591160 /nfs/dbraw/zinc/59/11/60/1038591160.db2.gz YELIGJSVRSSWFY-DYESRHJHSA-N 0 3 347.462 3.615 20 30 EHEDHN CCc1ccc([C@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000552273322 1039147951 /nfs/dbraw/zinc/14/79/51/1039147951.db2.gz CZULVWWPMJGPFK-IBGZPJMESA-N 0 3 330.435 3.758 20 30 EHEDHN C=CCn1cccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000489004275 1039551798 /nfs/dbraw/zinc/55/17/98/1039551798.db2.gz AZOJVYSZJHRKTQ-HXUWFJFHSA-N 0 3 337.467 3.549 20 30 EHEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000911969504 1039617111 /nfs/dbraw/zinc/61/71/11/1039617111.db2.gz ALOYXXPYRGQFGX-SFHVURJKSA-N 0 3 333.476 3.686 20 30 EHEDHN C=CCC[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2C)c1ccccc1 ZINC000893767447 1039703070 /nfs/dbraw/zinc/70/30/70/1039703070.db2.gz IAMSPTJHJXXGLZ-FHWLQOOXSA-N 0 3 327.472 3.572 20 30 EHEDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000553054133 1039737044 /nfs/dbraw/zinc/73/70/44/1039737044.db2.gz JMWCUMAAJVOWHG-VQTJNVASSA-N 0 3 338.451 3.678 20 30 EHEDHN Cc1cccc(C)c1OC[C@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000553054132 1039737504 /nfs/dbraw/zinc/73/75/04/1039737504.db2.gz JMWCUMAAJVOWHG-UXHICEINSA-N 0 3 338.451 3.678 20 30 EHEDHN Cc1ccc([C@H](CNc2cc(C#N)c3ccccc3n2)N2CCCC2)o1 ZINC000554804985 1039760754 /nfs/dbraw/zinc/76/07/54/1039760754.db2.gz OBOBDAXRCJIMTH-IBGZPJMESA-N 0 3 346.434 3.679 20 30 EHEDHN C=CCC1(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)CCC1 ZINC000478877580 1039779196 /nfs/dbraw/zinc/77/91/96/1039779196.db2.gz BAFLIVJXUQDWHB-LJQANCHMSA-N 0 3 326.484 3.686 20 30 EHEDHN N#Cc1ccccc1OCCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554845633 1039802220 /nfs/dbraw/zinc/80/22/20/1039802220.db2.gz CUAVOMAMIQYLRV-MRXNPFEDSA-N 0 3 338.373 3.992 20 30 EHEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Br)cc1CC ZINC000912463570 1039907028 /nfs/dbraw/zinc/90/70/28/1039907028.db2.gz QGLVIHUIDDJZII-ZDUSSCGKSA-N 0 3 325.250 3.634 20 30 EHEDHN C=CCCC[C@H](C(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000907281388 1039996287 /nfs/dbraw/zinc/99/62/87/1039996287.db2.gz HYGZFBLPLFRYQT-XLIONFOSSA-N 0 3 326.484 3.893 20 30 EHEDHN C=CCOc1ccc(CN2CCC(NC(=O)CCCCC)CC2)cc1 ZINC000512618985 1040297562 /nfs/dbraw/zinc/29/75/62/1040297562.db2.gz VHKKZTDPVZSOCC-UHFFFAOYSA-N 0 3 344.499 3.912 20 30 EHEDHN N#CCCC[C@H](NCC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000433019859 1040468372 /nfs/dbraw/zinc/46/83/72/1040468372.db2.gz AWPCTUGVVFDNLZ-IBGZPJMESA-N 0 3 333.435 3.600 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)c3ncccc23)CC1 ZINC000512679870 1040503961 /nfs/dbraw/zinc/50/39/61/1040503961.db2.gz CFEXUQWJZLMRPR-UHFFFAOYSA-N 0 3 343.858 3.659 20 30 EHEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000533950115 1040680076 /nfs/dbraw/zinc/68/00/76/1040680076.db2.gz NIVNSGNXMQASRR-RTBURBONSA-N 0 3 329.488 3.820 20 30 EHEDHN N#CCc1cccc2c1CCN(Cc1cc(-n3ccnc3)cs1)C2 ZINC000600213003 1040828925 /nfs/dbraw/zinc/82/89/25/1040828925.db2.gz NYKOREZMGHKPLY-UHFFFAOYSA-N 0 3 334.448 3.558 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H](c2ccccc2F)C1 ZINC000555583009 1040876989 /nfs/dbraw/zinc/87/69/89/1040876989.db2.gz MJMHYBUVCNZIMX-AWEZNQCLSA-N 0 3 343.427 3.577 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCOc4ccccc43)nc21 ZINC000842309229 1040899469 /nfs/dbraw/zinc/89/94/69/1040899469.db2.gz ZOFHWPXLUJTJFQ-CABCVRRESA-N 0 3 331.375 3.614 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CCOc4ccccc43)[nH]c21 ZINC000842309229 1040899479 /nfs/dbraw/zinc/89/94/79/1040899479.db2.gz ZOFHWPXLUJTJFQ-CABCVRRESA-N 0 3 331.375 3.614 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H](CC)SC)cc1 ZINC000156498144 1041251762 /nfs/dbraw/zinc/25/17/62/1041251762.db2.gz GYPVZSJTRIEHPA-HOTGVXAUSA-N 0 3 332.469 3.818 20 30 EHEDHN CCOc1cccc(/C=N/C[C@H](C)N2CCc3ccccc3C2)c1O ZINC000026432377 1041718971 /nfs/dbraw/zinc/71/89/71/1041718971.db2.gz LAXIVXKJEUBZTB-SITPEIFSSA-N 0 3 338.451 3.657 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000198201964 1042340142 /nfs/dbraw/zinc/34/01/42/1042340142.db2.gz ZNJQRTBVADAEQC-IRLDBZIGSA-N 0 3 349.478 3.614 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000662082319 1042504293 /nfs/dbraw/zinc/50/42/93/1042504293.db2.gz SXKNCQRJEQCPPS-AEGPPILISA-N 0 3 336.382 3.798 20 30 EHEDHN CC1(C)CC[C@@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc21 ZINC000093899864 1042588456 /nfs/dbraw/zinc/58/84/56/1042588456.db2.gz FGGRRKSPKQCFKA-FXAWDEMLSA-N 0 3 347.462 3.529 20 30 EHEDHN N#CCC[C@H](C#N)CNCC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000066484201 1042770973 /nfs/dbraw/zinc/77/09/73/1042770973.db2.gz DUFJMLSHKCZMPY-MRXNPFEDSA-N 0 3 339.439 3.650 20 30 EHEDHN Fc1ccc(C#CCN2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000278941290 1043057645 /nfs/dbraw/zinc/05/76/45/1043057645.db2.gz UOKJHXBWIPBTEH-UHFFFAOYSA-N 0 3 337.442 3.590 20 30 EHEDHN CN(CC(=O)Nc1ccccc1SCC#N)C[C@H]1CC=CCC1 ZINC000344029778 1043124801 /nfs/dbraw/zinc/12/48/01/1043124801.db2.gz ATQHUCQYDIQPDO-HNNXBMFYSA-N 0 3 329.469 3.529 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C[C@H]1CC=CCC1 ZINC000344066076 1043200384 /nfs/dbraw/zinc/20/03/84/1043200384.db2.gz PJHOAMMABCVQLX-IRXDYDNUSA-N 0 3 343.446 3.749 20 30 EHEDHN N#Cc1ccsc1NC(=O)CNC1(c2ccccc2)CCCC1 ZINC000183544600 1125598565 /nfs/dbraw/zinc/59/85/65/1125598565.db2.gz KWTIZVZEOCICGU-UHFFFAOYSA-N 0 3 325.437 3.617 20 30 EHEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(C)cc1 ZINC000192674994 1126926779 /nfs/dbraw/zinc/92/67/79/1126926779.db2.gz MDNNZKCRCOMJTD-FUHWJXTLSA-N 0 3 327.472 3.767 20 30 EHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000763948126 1126952390 /nfs/dbraw/zinc/95/23/90/1126952390.db2.gz PXQPHKGYLPPCIT-BXUZGUMPSA-N 0 3 335.319 3.716 20 30 EHEDHN C=CCOc1c(Cl)cc(CN[C@H](C)c2cc[nH]c(=O)c2)cc1OC ZINC000623532672 1126972837 /nfs/dbraw/zinc/97/28/37/1126972837.db2.gz AZUSIJPOEMEABH-GFCCVEGCSA-N 0 3 348.830 3.865 20 30 EHEDHN C#CCN(C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1)C1CC1 ZINC000763960421 1126987689 /nfs/dbraw/zinc/98/76/89/1126987689.db2.gz NWQZRDWPBZPGBW-PKTZIBPZSA-N 0 3 349.474 3.560 20 30 EHEDHN C=CCC[C@@H](NCC(=O)Nc1nnc(C(C)C)s1)c1ccccc1 ZINC000180036456 1127112643 /nfs/dbraw/zinc/11/26/43/1127112643.db2.gz WRDCPFRJOVSZJD-OAHLLOKOSA-N 0 3 344.484 3.897 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000181354410 1127274581 /nfs/dbraw/zinc/27/45/81/1127274581.db2.gz WPRBNKXSDNFIGI-ZEVUXNIQSA-N 0 3 327.472 3.657 20 30 EHEDHN Cc1cc(OC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)ccc1C#N ZINC000765114305 1127576744 /nfs/dbraw/zinc/57/67/44/1127576744.db2.gz WVBPUINNXNKNJO-LJQANCHMSA-N 0 3 334.419 3.684 20 30 EHEDHN N#Cc1ccc(CN2CCCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000301061797 1128571292 /nfs/dbraw/zinc/57/12/92/1128571292.db2.gz AQXFWUXAPPTIGZ-UHFFFAOYSA-N 0 3 342.446 3.819 20 30 EHEDHN COc1ccc([C@H](CNc2cccc(C#N)n2)N2CCCCC2)cc1 ZINC000301250954 1128580576 /nfs/dbraw/zinc/58/05/76/1128580576.db2.gz BHPIHKPQBROEPG-IBGZPJMESA-N 0 3 336.439 3.601 20 30 EHEDHN N#Cc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000302207559 1128625810 /nfs/dbraw/zinc/62/58/10/1128625810.db2.gz KXQJIMYNCRCMKV-MRXNPFEDSA-N 0 3 342.424 3.777 20 30 EHEDHN COc1cc(C#N)ccc1OCCN(C)Cc1cccc(Cl)c1 ZINC000303843986 1128701262 /nfs/dbraw/zinc/70/12/62/1128701262.db2.gz NIPOAYZOILSDLY-UHFFFAOYSA-N 0 3 330.815 3.731 20 30 EHEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000072663315 1128731839 /nfs/dbraw/zinc/73/18/39/1128731839.db2.gz OKXKOAZYEOXNNM-IGCXYCKISA-N 0 3 331.847 3.803 20 30 EHEDHN C=CCOc1cccc(CNCc2ccc(C3OCCO3)cc2)c1 ZINC000123150160 1120269903 /nfs/dbraw/zinc/26/99/03/1120269903.db2.gz PSBCXVPBSSROBF-UHFFFAOYSA-N 0 3 325.408 3.587 20 30 EHEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000494718099 1120747400 /nfs/dbraw/zinc/74/74/00/1120747400.db2.gz AFVPAZCKBQHBOZ-IRXDYDNUSA-N 0 3 335.517 3.881 20 30 EHEDHN C=CC[C@H](C(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC000494905467 1120901862 /nfs/dbraw/zinc/90/18/62/1120901862.db2.gz UNRICEXVQLZLQW-SFTDATJTSA-N 0 3 336.479 3.635 20 30 EHEDHN CC[C@H](C/N=C/c1cc(OC)ccc1O)N1CCc2ccccc2C1 ZINC000914702037 1120956125 /nfs/dbraw/zinc/95/61/25/1120956125.db2.gz VKRKFNAKJYECFD-PPRFWAEMSA-N 0 3 338.451 3.657 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1nc2ccccc2o1 ZINC000915100473 1121187771 /nfs/dbraw/zinc/18/77/71/1121187771.db2.gz RPGMHHMCLVLFNG-ZDUSSCGKSA-N 0 3 344.374 3.524 20 30 EHEDHN Cc1cccc2nc(CNCc3ccc(N(C)CCC#N)cc3)[nH]c21 ZINC000153612541 1121410660 /nfs/dbraw/zinc/41/06/60/1121410660.db2.gz BSQLLVMOLFVHII-UHFFFAOYSA-N 0 3 333.439 3.511 20 30 EHEDHN C=CCn1c2ccccc2n(CN2CCN(C)C[C@H]2C(C)C)c1=S ZINC000153663459 1121563017 /nfs/dbraw/zinc/56/30/17/1121563017.db2.gz ADTFDCNDKUVFRF-SFHVURJKSA-N 0 3 344.528 3.588 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccccc2OCCCC)CC1 ZINC000171739080 1121674517 /nfs/dbraw/zinc/67/45/17/1121674517.db2.gz IAQYMWGSPMIVTF-UHFFFAOYSA-N 0 3 331.460 3.637 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)Cc2cccc3ccccc32)CC1 ZINC000171739864 1121684482 /nfs/dbraw/zinc/68/44/82/1121684482.db2.gz LEJCTOBTONWLCE-UHFFFAOYSA-N 0 3 337.467 3.632 20 30 EHEDHN C[C@@H](CNCc1cc(C#N)ccc1Br)c1nccs1 ZINC000921994574 1129006834 /nfs/dbraw/zinc/00/68/34/1129006834.db2.gz DSESKBNQGQUXLK-JTQLQIEISA-N 0 3 336.258 3.671 20 30 EHEDHN CC(C)(C)OC(=O)NCCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000496891984 1122201510 /nfs/dbraw/zinc/20/15/10/1122201510.db2.gz JCKFSTVDJCPTSL-UHFFFAOYSA-N 0 3 349.500 3.747 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H](C)NC(=O)OC(C)(C)C ZINC000496950187 1122217284 /nfs/dbraw/zinc/21/72/84/1122217284.db2.gz PAVKQKAHHCDVJP-AGIUHOORSA-N 0 3 335.423 3.650 20 30 EHEDHN N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000763409397 1122230867 /nfs/dbraw/zinc/23/08/67/1122230867.db2.gz DXZORJGZEQQBOK-NRFANRHFSA-N 0 3 336.435 3.742 20 30 EHEDHN N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000763409397 1122230871 /nfs/dbraw/zinc/23/08/71/1122230871.db2.gz DXZORJGZEQQBOK-NRFANRHFSA-N 0 3 336.435 3.742 20 30 EHEDHN N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000763409399 1122231051 /nfs/dbraw/zinc/23/10/51/1122231051.db2.gz DXZORJGZEQQBOK-OAQYLSRUSA-N 0 3 336.435 3.742 20 30 EHEDHN N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000763409399 1122231054 /nfs/dbraw/zinc/23/10/54/1122231054.db2.gz DXZORJGZEQQBOK-OAQYLSRUSA-N 0 3 336.435 3.742 20 30 EHEDHN N#CC(C(=O)C[C@@H]1C=CCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130463813 1122334325 /nfs/dbraw/zinc/33/43/25/1122334325.db2.gz XIIUBZTYSHVCSH-QMTHXVAHSA-N 0 3 337.206 3.997 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@]2(C)Cc2cccs2)CC1 ZINC000917142182 1122536130 /nfs/dbraw/zinc/53/61/30/1122536130.db2.gz UALSVVQUUCQLKR-LJQANCHMSA-N 0 3 347.528 3.505 20 30 EHEDHN C=C[C@H](CC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000497414474 1122545444 /nfs/dbraw/zinc/54/54/44/1122545444.db2.gz DMUMIWWPVOUVEB-DUXKGJEZSA-N 0 3 334.463 3.560 20 30 EHEDHN C=CCOc1ccc(CN[C@H](CC)[C@H](O)C(F)(F)F)cc1Cl ZINC000498368724 1122886438 /nfs/dbraw/zinc/88/64/38/1122886438.db2.gz CBFGGWCFWRUMEI-OCCSQVGLSA-N 0 3 337.769 3.696 20 30 EHEDHN CCC(CC)CN(CC)CC(=O)Nc1ccccc1SCC#N ZINC000072635149 1123134093 /nfs/dbraw/zinc/13/40/93/1123134093.db2.gz DKXNSVUKTKMLRX-UHFFFAOYSA-N 0 3 333.501 3.999 20 30 EHEDHN CC(C)(C)c1ccc(N2CCC(NC[C@H](C#N)CCC#N)CC2)cc1 ZINC000920092342 1123285072 /nfs/dbraw/zinc/28/50/72/1123285072.db2.gz RWQIGSASHXFTPQ-KRWDZBQOSA-N 0 3 338.499 3.986 20 30 EHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2cc3ccccc3o2)cc1 ZINC000920109667 1123294481 /nfs/dbraw/zinc/29/44/81/1123294481.db2.gz TYXAWCBWPMGWRO-SFHVURJKSA-N 0 3 346.386 3.885 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc3c(c2)OCO3)c([O-])c1 ZINC000920943383 1123441282 /nfs/dbraw/zinc/44/12/82/1123441282.db2.gz FSJOPHZRYDBIIS-NDENLUEZSA-N 0 3 326.396 3.586 20 30 EHEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(Cl)c3ccccc32)C1=O ZINC000499636098 1129131981 /nfs/dbraw/zinc/13/19/81/1129131981.db2.gz ZZBNFBCIYCZMES-FZKQIMNGSA-N 0 3 328.843 3.931 20 30 EHEDHN Cc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000175112441 1123602391 /nfs/dbraw/zinc/60/23/91/1123602391.db2.gz ZJEYQFBBRXGGCG-LLVKDONJSA-N 0 3 334.734 3.650 20 30 EHEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCC2(CCCCC2)C1 ZINC000609541347 1123607737 /nfs/dbraw/zinc/60/77/37/1123607737.db2.gz ITOSQGDHAXFIKB-KRWDZBQOSA-N 0 3 331.504 3.764 20 30 EHEDHN COCC(C)(C)CCCNCc1cc(C#N)ccc1Br ZINC000922129791 1129135092 /nfs/dbraw/zinc/13/50/92/1129135092.db2.gz TVVOTTKJUSBHGH-UHFFFAOYSA-N 0 3 339.277 3.863 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000616022504 1123926396 /nfs/dbraw/zinc/92/63/96/1123926396.db2.gz IFWPESBSJPFNIA-DNVCBOLYSA-N 0 3 342.870 3.904 20 30 EHEDHN C[C@@H]1CN(CC(=O)Nc2ccccc2SCC#N)[C@@H]2CCCC[C@H]21 ZINC000248424198 1124661065 /nfs/dbraw/zinc/66/10/65/1124661065.db2.gz NIQQWCROYKTVRF-HLLBOEOZSA-N 0 3 343.496 3.751 20 30 EHEDHN Cc1cc(CN[C@H](Cc2nccn2C)c2ccccc2)ccc1C#N ZINC000618194426 1125017224 /nfs/dbraw/zinc/01/72/24/1125017224.db2.gz KBRLYLAHWUYORB-HXUWFJFHSA-N 0 3 330.435 3.674 20 30 EHEDHN CC(C)(C)OC(=O)CCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000181778792 1125036979 /nfs/dbraw/zinc/03/69/79/1125036979.db2.gz QYJVNSUDSWRDLG-UHFFFAOYSA-N 0 3 344.455 3.523 20 30 EHEDHN C=CCOc1ccc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000093280916 1125215419 /nfs/dbraw/zinc/21/54/19/1125215419.db2.gz GZRXNGPKEOHKSB-GOSISDBHSA-N 0 3 344.499 3.626 20 30 EHEDHN Cc1nc(COc2ccc(CN[C@H](C)c3ccc(C#N)cc3)cc2)no1 ZINC000070693781 1129520241 /nfs/dbraw/zinc/52/02/41/1129520241.db2.gz WKTGPYGLXNBSQX-CQSZACIVSA-N 0 3 348.406 3.680 20 30 EHEDHN CC(C)N(CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000428852015 1129529481 /nfs/dbraw/zinc/52/94/81/1129529481.db2.gz TWNRAKNKXASKSO-QGZVFWFLSA-N 0 3 335.451 3.646 20 30 EHEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cnc2ccc(C#N)cn12 ZINC000093561709 1129594132 /nfs/dbraw/zinc/59/41/32/1129594132.db2.gz YXDXFCROIHQCOE-YOEHRIQHSA-N 0 3 334.398 3.723 20 30 EHEDHN N#Cc1c(F)cccc1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000428942786 1129624831 /nfs/dbraw/zinc/62/48/31/1129624831.db2.gz OIDMNNMJRJSKIY-DYXWJJEUSA-N 0 3 336.410 3.702 20 30 EHEDHN COc1cc(CNCc2ccc(C)c(C#N)c2)ccc1OC(F)F ZINC000922762518 1129654582 /nfs/dbraw/zinc/65/45/82/1129654582.db2.gz NLVMUZPXIUBWID-UHFFFAOYSA-N 0 3 332.350 3.767 20 30 EHEDHN CCCCn1ncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1CC ZINC000429115853 1129822656 /nfs/dbraw/zinc/82/26/56/1129822656.db2.gz PRZNCQXQIHHDIM-CQSZACIVSA-N 0 3 349.438 3.622 20 30 EHEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000729942768 1130657036 /nfs/dbraw/zinc/65/70/36/1130657036.db2.gz QYNQYFDUCFJLQT-UHFFFAOYSA-N 0 3 341.883 3.806 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc3ccc(C(C)C)cc3[nH]2)CC1 ZINC000729976952 1130661229 /nfs/dbraw/zinc/66/12/29/1130661229.db2.gz FZVRVMOGHXWRKE-UHFFFAOYSA-N 0 3 325.456 3.672 20 30 EHEDHN N#CC(C(=O)C[C@H]1CCc2ccccc2C1)c1nc2ccccc2[nH]1 ZINC000732593533 1130937426 /nfs/dbraw/zinc/93/74/26/1130937426.db2.gz OJJRBAOXXYYAGT-WMLDXEAASA-N 0 3 329.403 3.934 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741782880 1131647288 /nfs/dbraw/zinc/64/72/88/1131647288.db2.gz YJRBNNAICLHDHQ-HNAYVOBHSA-N 0 3 335.407 3.576 20 30 EHEDHN COc1ccc(CNCc2ccc(OC(C)C)c(OC)c2)cc1C#N ZINC000742366380 1131710541 /nfs/dbraw/zinc/71/05/41/1131710541.db2.gz AUHQHZBNHCYBNG-UHFFFAOYSA-N 0 3 340.423 3.652 20 30 EHEDHN CCCCCCCC[C@H](CC)N1CCN(CC(=O)NC(C)C)CC1 ZINC001172503732 1131761842 /nfs/dbraw/zinc/76/18/42/1131761842.db2.gz AIFKYEVBQNASGM-IBGZPJMESA-N 0 3 339.568 3.658 20 30 EHEDHN CCCCN(CCC#N)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172817664 1131850003 /nfs/dbraw/zinc/85/00/03/1131850003.db2.gz GVNZZBXNYFUCSJ-SJPCQFCGSA-N 0 3 333.476 3.709 20 30 EHEDHN C=CCCCC[N@@H+](C)Cc1cc(Br)c([O-])c(OC)c1 ZINC001204103070 1131888267 /nfs/dbraw/zinc/88/82/67/1131888267.db2.gz CDVAHRSEMKUNOX-UHFFFAOYSA-N 0 3 328.250 3.951 20 30 EHEDHN C=CCCCC[N@H+](C)Cc1cc(Br)c([O-])c(OC)c1 ZINC001204103070 1131888279 /nfs/dbraw/zinc/88/82/79/1131888279.db2.gz CDVAHRSEMKUNOX-UHFFFAOYSA-N 0 3 328.250 3.951 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CCc2nc3ccccc3[nH]2)c([O-])c1 ZINC000743334390 1131895851 /nfs/dbraw/zinc/89/58/51/1131895851.db2.gz WLIFIUWJTWGAAY-STZFKDTASA-N 0 3 336.439 3.776 20 30 EHEDHN C=CCN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000743358309 1131901187 /nfs/dbraw/zinc/90/11/87/1131901187.db2.gz HTPIIGPEZHUVOC-LJQANCHMSA-N 0 3 329.488 3.647 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCc3sccc32)C[C@H]1C#N ZINC001172977200 1131923782 /nfs/dbraw/zinc/92/37/82/1131923782.db2.gz AEXMOJVELZPSSB-KCQAQPDRSA-N 0 3 347.484 3.617 20 30 EHEDHN N#CC(C(=O)CCCOc1cccnc1)c1ccc2ccccc2n1 ZINC000744015351 1132007605 /nfs/dbraw/zinc/00/76/05/1132007605.db2.gz OKPWHLKZLFBXEN-KRWDZBQOSA-N 0 3 331.375 3.665 20 30 EHEDHN C=CCOC1CCC(NCc2ncc(Br)s2)CC1 ZINC001173317631 1132059399 /nfs/dbraw/zinc/05/93/99/1132059399.db2.gz MAVYHBBCRAUBAZ-UHFFFAOYSA-N 0 3 331.279 3.509 20 30 EHEDHN N#Cc1sc(NC[C@@H](c2ccccc2)N2CCCC2)nc1Cl ZINC000804326335 1132766339 /nfs/dbraw/zinc/76/63/39/1132766339.db2.gz NYTBBZMRFCSEBE-ZDUSSCGKSA-N 0 3 332.860 3.917 20 30 EHEDHN CCCCCCCCOCC(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001177706891 1133095612 /nfs/dbraw/zinc/09/56/12/1133095612.db2.gz CWXSBJUQLSTOPL-SFHVURJKSA-N 0 3 338.536 3.839 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC001177905311 1133111086 /nfs/dbraw/zinc/11/10/86/1133111086.db2.gz XXNIXDGVLLKHSM-SSDOTTSWSA-N 0 3 331.344 3.544 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1nc(F)c(F)c(Cl)c1F ZINC001177909038 1133111202 /nfs/dbraw/zinc/11/12/02/1133111202.db2.gz QBFJQYCINAALBT-LURJTMIESA-N 0 3 345.733 3.535 20 30 EHEDHN C=C(CN1CCCC1)C(=O)Nc1snc(-c2ccccc2)c1C ZINC001183039814 1133760078 /nfs/dbraw/zinc/76/00/78/1133760078.db2.gz ZTDMZAZLWUPYRL-UHFFFAOYSA-N 0 3 327.453 3.709 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1sc2ccccc2c1C ZINC001183246814 1133785483 /nfs/dbraw/zinc/78/54/83/1133785483.db2.gz PNEAOXAKIVAFCB-HNNXBMFYSA-N 0 3 328.481 3.519 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)OC)cc1 ZINC000786310985 1133835952 /nfs/dbraw/zinc/83/59/52/1133835952.db2.gz DIJKYARUCBMCKT-XJKSGUPXSA-N 0 3 330.428 3.663 20 30 EHEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786538083 1133862483 /nfs/dbraw/zinc/86/24/83/1133862483.db2.gz DKMKGMYOZNCYFN-HXUWFJFHSA-N 0 3 348.446 3.651 20 30 EHEDHN C#Cc1cccc(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000746720203 1134061569 /nfs/dbraw/zinc/06/15/69/1134061569.db2.gz TVLMKBIIYOVOHP-NRFANRHFSA-N 0 3 347.462 3.796 20 30 EHEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2cccn(CC)c2=O)cc1 ZINC000788606868 1134150242 /nfs/dbraw/zinc/15/02/42/1134150242.db2.gz YMWIJIOBMNHAHI-OAHLLOKOSA-N 0 3 346.858 3.850 20 30 EHEDHN C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@@H]2CCCCN2C)c1 ZINC001189274974 1134566323 /nfs/dbraw/zinc/56/63/23/1134566323.db2.gz PDFKEQDHKOSZBW-SFHVURJKSA-N 0 3 329.488 3.738 20 30 EHEDHN N#CC(C(=O)CCCOc1cccnc1)c1nccc2ccccc21 ZINC000792106380 1134650285 /nfs/dbraw/zinc/65/02/85/1134650285.db2.gz QJZMCMUPSZHRLL-SFHVURJKSA-N 0 3 331.375 3.665 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC000804371495 1135049289 /nfs/dbraw/zinc/04/92/89/1135049289.db2.gz ACXSDXAHXOZLPB-WCQYABFASA-N 0 3 332.860 3.916 20 30 EHEDHN CN(C)c1ccncc1NC(=O)c1ccc(-c2ccc(C#N)cc2)o1 ZINC001197387834 1135683176 /nfs/dbraw/zinc/68/31/76/1135683176.db2.gz PCNFZUUVLKQXQD-UHFFFAOYSA-N 0 3 332.363 3.532 20 30 EHEDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1[O-] ZINC000808706691 1135716574 /nfs/dbraw/zinc/71/65/74/1135716574.db2.gz RENBGIALBZSOCW-ZDUSSCGKSA-N 0 3 330.815 3.955 20 30 EHEDHN C#C[C@@H](NCCSc1ccnc2cc(Cl)ccc21)[C@@H]1CCCO1 ZINC000775788247 1135736995 /nfs/dbraw/zinc/73/69/95/1135736995.db2.gz DVQQVRNJPRETPP-WBVHZDCISA-N 0 3 346.883 3.751 20 30 EHEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000775785992 1135738380 /nfs/dbraw/zinc/73/83/80/1135738380.db2.gz RBQJVGLVNGQTIF-UMVBOHGHSA-N 0 3 327.453 3.593 20 30 EHEDHN C#CCN(C[C@H]1CC2(CO1)CCOCC2)[C@H]1CCCc2ccccc21 ZINC001198105296 1135776485 /nfs/dbraw/zinc/77/64/85/1135776485.db2.gz WSPATRHWPANYNN-CTNGQTDRSA-N 0 3 339.479 3.585 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(NC(=O)c3cccnc3)cc2)cc1 ZINC000809613484 1135857163 /nfs/dbraw/zinc/85/71/63/1135857163.db2.gz WOGXRTGUNAABQE-UHFFFAOYSA-N 0 3 341.414 3.605 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(OC)c(Br)c2)cc1 ZINC000809612712 1135858041 /nfs/dbraw/zinc/85/80/41/1135858041.db2.gz XLNZTGWNPUXEDR-UHFFFAOYSA-N 0 3 330.225 3.729 20 30 EHEDHN C=CCc1cc(CNCc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000105478293 1135948602 /nfs/dbraw/zinc/94/86/02/1135948602.db2.gz FXVZXQBBKMCYOR-UHFFFAOYSA-N 0 3 340.467 3.788 20 30 EHEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1(CCF)CC1 ZINC000810533679 1135970920 /nfs/dbraw/zinc/97/09/20/1135970920.db2.gz SKDQQRNDXYTJEF-GFCCVEGCSA-N 0 3 343.185 3.781 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCSC2)cc1 ZINC000810532537 1135970977 /nfs/dbraw/zinc/97/09/77/1135970977.db2.gz UFKPTEQMJADMRO-DOTOQJQBSA-N 0 3 344.480 3.820 20 30 EHEDHN C#C[C@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc(Cl)cc1 ZINC000812350871 1136197066 /nfs/dbraw/zinc/19/70/66/1136197066.db2.gz CNASDRHVZZJBCU-SFHVURJKSA-N 0 3 326.827 3.506 20 30 EHEDHN C=CCOc1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)cc1Cl ZINC000850378761 1136245556 /nfs/dbraw/zinc/24/55/56/1136245556.db2.gz SLPPZWRJTFDOKZ-CVEARBPZSA-N 0 3 343.801 3.809 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000850758826 1136301355 /nfs/dbraw/zinc/30/13/55/1136301355.db2.gz DZJHWVMDVKCTLX-SXLOBPIMSA-N 0 3 346.430 3.993 20 30 EHEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813219236 1136304572 /nfs/dbraw/zinc/30/45/72/1136304572.db2.gz YHEGQCNNLNNRFO-KFNAQCHYSA-N 0 3 340.345 3.872 20 30 EHEDHN C[C@H](NC(=O)C(C#N)C(=O)CCCF)c1ccc(Cl)cc1Cl ZINC000850977736 1136324829 /nfs/dbraw/zinc/32/48/29/1136324829.db2.gz CXKYFNYQYHOZQU-JOYOIKCWSA-N 0 3 345.201 3.629 20 30 EHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000173197081 1136360925 /nfs/dbraw/zinc/36/09/25/1136360925.db2.gz DYWPUOVUOPVXCJ-HNAYVOBHSA-N 0 3 345.462 3.569 20 30 EHEDHN C#CCN(C(=O)C=C1CCC(C(C)(C)C)CC1)C1CCN(C)CC1 ZINC001134262488 1136439020 /nfs/dbraw/zinc/43/90/20/1136439020.db2.gz DAUJCWBEZNCLRH-UHFFFAOYSA-N 0 3 330.516 3.705 20 30 EHEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)cc1F ZINC000852521356 1136462083 /nfs/dbraw/zinc/46/20/83/1136462083.db2.gz OAPRZCOZCZMRLN-OALUTQOASA-N 0 3 340.398 3.576 20 30 EHEDHN C#CCOc1ccc(CN[C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000113321854 1136696850 /nfs/dbraw/zinc/69/68/50/1136696850.db2.gz DJGJQWZAKNDBEY-INIZCTEOSA-N 0 3 339.435 3.875 20 30 EHEDHN C=CCOCCCC(=O)O[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000816471368 1136719236 /nfs/dbraw/zinc/71/92/36/1136719236.db2.gz CMMRXMHKMQMFEI-HKUYNNGSSA-N 0 3 331.456 3.566 20 30 EHEDHN C=CCCO[C@H](C)C(=O)O[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000816468877 1136719745 /nfs/dbraw/zinc/71/97/45/1136719745.db2.gz OUZYAVRSKKJKKS-YQVWRLOYSA-N 0 3 331.456 3.564 20 30 EHEDHN C[C@H]1[C@H](OC(=O)c2cccc(CC#N)c2)CCCN1Cc1ccccc1 ZINC000816468982 1136720294 /nfs/dbraw/zinc/72/02/94/1136720294.db2.gz QGEMPVQXKXSBQB-LAUBAEHRSA-N 0 3 348.446 3.963 20 30 EHEDHN Cc1noc(C[C@@H](NCc2ccc(CC#N)cc2)c2ccccc2)n1 ZINC000429525492 1136741235 /nfs/dbraw/zinc/74/12/35/1136741235.db2.gz DJQOAEGPVRVTGQ-LJQANCHMSA-N 0 3 332.407 3.518 20 30 EHEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000817325120 1136797335 /nfs/dbraw/zinc/79/73/35/1136797335.db2.gz XUIWRAXONBUZOW-PXNSSMCTSA-N 0 3 345.462 3.750 20 30 EHEDHN Cc1ccccc1[C@@H](O)CNCC#Cc1cccc(C(F)(F)F)c1 ZINC000818946975 1136894691 /nfs/dbraw/zinc/89/46/91/1136894691.db2.gz YYCWFCZJWFQRNY-SFHVURJKSA-N 0 3 333.353 3.689 20 30 EHEDHN N#Cc1ccc([C@H](O)CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000819210015 1136925014 /nfs/dbraw/zinc/92/50/14/1136925014.db2.gz QEIPIFYHKTWDAY-QZTJIDSGSA-N 0 3 342.826 3.749 20 30 EHEDHN C=C[C@H](C(=O)NC[C@@H](CC)N1CCc2ccccc2C1)c1ccccc1 ZINC001136201108 1136926272 /nfs/dbraw/zinc/92/62/72/1136926272.db2.gz VQEOPTZHTBFXQY-YADHBBJMSA-N 0 3 348.490 3.909 20 30 EHEDHN CCCCCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000858114357 1136940979 /nfs/dbraw/zinc/94/09/79/1136940979.db2.gz GKKAKDSEGNWRSC-UHFFFAOYSA-N 0 3 346.519 3.563 20 30 EHEDHN COc1ccc([C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)C2CC2)cn1 ZINC000858342331 1136960004 /nfs/dbraw/zinc/96/00/04/1136960004.db2.gz MVXPXFAIBOPWSP-XOBRGWDASA-N 0 3 337.423 3.622 20 30 EHEDHN COC(=O)c1ccc(C(=N)Nc2ccc(OC(C)C)c(C)c2)cc1 ZINC001170988935 1137063012 /nfs/dbraw/zinc/06/30/12/1137063012.db2.gz HDSXTJQBVCHWQS-UHFFFAOYSA-N 0 3 326.396 3.606 20 30 EHEDHN C[C@@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000860902696 1137083957 /nfs/dbraw/zinc/08/39/57/1137083957.db2.gz JOPMNIUYGDSHKB-OXQOHEQNSA-N 0 3 349.478 3.643 20 30 EHEDHN N#CC(C(=O)C[C@@H]1CCOc2ccccc21)c1nc2ccccc2[nH]1 ZINC000118141124 1137099313 /nfs/dbraw/zinc/09/93/13/1137099313.db2.gz KBNJEBSEHTUKCP-DZGCQCFKSA-N 0 3 331.375 3.696 20 30 EHEDHN C#Cc1ccc(CN[C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1 ZINC000824673984 1137147600 /nfs/dbraw/zinc/14/76/00/1137147600.db2.gz ZOWQRFTUURKJGR-SFHVURJKSA-N 0 3 333.353 3.900 20 30 EHEDHN CCOc1c(F)cc(CN2CCC3SC(=O)C=C3C2)cc1Cl ZINC001143739135 1137194781 /nfs/dbraw/zinc/19/47/81/1137194781.db2.gz JJDGQHZUVTXUMH-CQSZACIVSA-N 0 3 341.835 3.652 20 30 EHEDHN C#CCN1CCC(C(=O)NC(C)(C)c2ccc3ccccc3c2)CC1 ZINC000863642003 1137196583 /nfs/dbraw/zinc/19/65/83/1137196583.db2.gz HVNUQOWSFNQNQI-UHFFFAOYSA-N 0 3 334.463 3.536 20 30 EHEDHN CC[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000865291234 1137274691 /nfs/dbraw/zinc/27/46/91/1137274691.db2.gz UTVXBAQCUAMOMM-KBPBESRZSA-N 0 3 327.453 3.737 20 30 EHEDHN C=CC[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccncc1 ZINC000865463872 1137286079 /nfs/dbraw/zinc/28/60/79/1137286079.db2.gz FCPQFLIVEXOZOA-FQEVSTJZSA-N 0 3 335.451 3.725 20 30 EHEDHN COCc1cc(OC)ccc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171185123 1137293407 /nfs/dbraw/zinc/29/34/07/1137293407.db2.gz GEYPVESJAZVLMA-UHFFFAOYSA-N 0 3 336.391 3.737 20 30 EHEDHN CC(=O)Nc1ccc(NC(=N)c2ccc3cc(O)ccc3c2)cc1C ZINC001171182800 1137293668 /nfs/dbraw/zinc/29/36/68/1137293668.db2.gz SYIWEZAKQWRWTH-UHFFFAOYSA-N 0 3 333.391 3.849 20 30 EHEDHN COC(=O)C=Cc1ccc(NC(=N)c2ccc3cc(O)ccc3c2)cc1 ZINC001171184742 1137294219 /nfs/dbraw/zinc/29/42/19/1137294219.db2.gz APAYCSMGUPGGBV-NYYWCZLTSA-N 0 3 346.386 3.769 20 30 EHEDHN N#Cc1ccccc1N1CCC(NCc2cc(F)c(F)cc2F)CC1 ZINC000865694528 1137304768 /nfs/dbraw/zinc/30/47/68/1137304768.db2.gz HNHZUYRUUKEKJP-UHFFFAOYSA-N 0 3 345.368 3.734 20 30 EHEDHN N#Cc1ccccc1N1CCC(NCc2cc(F)ccc2F)CC1 ZINC000865696402 1137304911 /nfs/dbraw/zinc/30/49/11/1137304911.db2.gz BZYWEXGLQZHIBX-UHFFFAOYSA-N 0 3 327.378 3.595 20 30 EHEDHN C[C@@H]1C[C@H](CNCC2(C#N)CCCC2)CCN1C(=O)OC(C)(C)C ZINC000846009939 1137325506 /nfs/dbraw/zinc/32/55/06/1137325506.db2.gz FWZYIMUYYBDNGF-HZPDHXFCSA-N 0 3 335.492 3.696 20 30 EHEDHN Cc1cccc(C)c1N1CCN([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232639 1137356216 /nfs/dbraw/zinc/35/62/16/1137356216.db2.gz USBZGUOXEBAENM-IBGZPJMESA-N 0 3 333.479 3.928 20 30 EHEDHN CCc1ccc([C@@H](C)CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000121841609 1137387113 /nfs/dbraw/zinc/38/71/13/1137387113.db2.gz FERBPOOMTCWZHS-KSSFIOAISA-N 0 3 326.440 3.510 20 30 EHEDHN COc1ccc(Cl)c2c1C[C@@H](NCc1ccccc1C#N)CC2 ZINC001171288694 1137396093 /nfs/dbraw/zinc/39/60/93/1137396093.db2.gz MUZNXHISNBNYNE-HNNXBMFYSA-N 0 3 326.827 3.867 20 30 EHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC(C)(C)C)cc1OC ZINC000103639016 1137427384 /nfs/dbraw/zinc/42/73/84/1137427384.db2.gz CBGQMJQPGZHQIP-AWEZNQCLSA-N 0 3 346.427 3.568 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCCC1 ZINC000208516136 1137512697 /nfs/dbraw/zinc/51/26/97/1137512697.db2.gz VNPOSVPRWZILLD-CQSZACIVSA-N 0 3 327.453 3.737 20 30 EHEDHN CCCN(CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171857285 1137516077 /nfs/dbraw/zinc/51/60/77/1137516077.db2.gz CQOHJMNUKGXMNT-INIZCTEOSA-N 0 3 335.492 3.934 20 30 EHEDHN N#Cc1ccc(N2CC[C@@H](N3CCCC4(CCCC4)CC3)C2=O)cc1 ZINC001171915147 1137518232 /nfs/dbraw/zinc/51/82/32/1137518232.db2.gz BRPIOGLBXBCROV-LJQANCHMSA-N 0 3 337.467 3.710 20 30 EHEDHN C[C@H](NCCOC(F)(F)C(F)(F)F)c1ccc(C(F)F)nc1 ZINC000872110836 1137571792 /nfs/dbraw/zinc/57/17/92/1137571792.db2.gz RTDUVUDZPVBPQM-ZETCQYMHSA-N 0 3 334.235 3.842 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000876553587 1137655415 /nfs/dbraw/zinc/65/54/15/1137655415.db2.gz UJHKEMCUELVKHG-ZDUSSCGKSA-N 0 3 335.860 3.835 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000876590480 1137656388 /nfs/dbraw/zinc/65/63/88/1137656388.db2.gz VLYZSTLYQZCFHA-MFKMUULPSA-N 0 3 334.769 3.695 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000876677166 1137658811 /nfs/dbraw/zinc/65/88/11/1137658811.db2.gz IRXCCDXMXDAUHI-WDEREUQCSA-N 0 3 341.160 3.530 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000876677932 1137658897 /nfs/dbraw/zinc/65/88/97/1137658897.db2.gz GDHVGEHDAZCUTM-RTBURBONSA-N 0 3 340.854 3.783 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000876775034 1137661064 /nfs/dbraw/zinc/66/10/64/1137661064.db2.gz MMWJRUPRJPELTH-ZBFHGGJFSA-N 0 3 335.879 3.782 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCC[C@H]2CSc3ccccc3O2)c1 ZINC000877604356 1137682641 /nfs/dbraw/zinc/68/26/41/1137682641.db2.gz LKGPHMFIFVPARN-AWEZNQCLSA-N 0 3 345.855 3.640 20 30 EHEDHN COc1ccc(CN2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)cc1C#N ZINC000877783843 1137689621 /nfs/dbraw/zinc/68/96/21/1137689621.db2.gz INPHGHHMCHTWEF-INIZCTEOSA-N 0 3 338.455 3.793 20 30 EHEDHN COc1ccc(CN2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)cc1C#N ZINC000877783843 1137689622 /nfs/dbraw/zinc/68/96/22/1137689622.db2.gz INPHGHHMCHTWEF-INIZCTEOSA-N 0 3 338.455 3.793 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(N(CC)CC)nc2)cc1 ZINC000126814578 1137697472 /nfs/dbraw/zinc/69/74/72/1137697472.db2.gz YBHPXDAQYYZLBK-KRWDZBQOSA-N 0 3 337.467 3.791 20 30 EHEDHN N#CCC1(CN(Cc2ccccc2)C[C@H](O)c2cccs2)CC1 ZINC000878187313 1137706338 /nfs/dbraw/zinc/70/63/38/1137706338.db2.gz ZWWPTFOSLQXOPC-KRWDZBQOSA-N 0 3 326.465 3.978 20 30 EHEDHN CCSCC[C@H](C)N(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878262511 1137708968 /nfs/dbraw/zinc/70/89/68/1137708968.db2.gz RWQWKSSIYKNAKG-QFBILLFUSA-N 0 3 332.513 3.891 20 30 EHEDHN CS[C@@H]1CCCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878287027 1137709858 /nfs/dbraw/zinc/70/98/58/1137709858.db2.gz PPVRFTRHPGZCLN-RTBURBONSA-N 0 3 330.497 3.645 20 30 EHEDHN N#Cc1ccc(CNC2([C@H]3CCCCO3)CCC2)c(OC(F)F)c1 ZINC000879735702 1137757182 /nfs/dbraw/zinc/75/71/82/1137757182.db2.gz YMSQLFPZGGCERF-MRXNPFEDSA-N 0 3 336.382 3.741 20 30 EHEDHN C[C@H]1c2sccc2CCN1CCC(=O)Nc1ccccc1C#N ZINC000880377721 1137777163 /nfs/dbraw/zinc/77/71/63/1137777163.db2.gz CVHKZIAEEVMZPG-ZDUSSCGKSA-N 0 3 325.437 3.568 20 30 EHEDHN CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CCN(CCCC#N)CC1 ZINC000880592328 1137781990 /nfs/dbraw/zinc/78/19/90/1137781990.db2.gz VJERDEIVMLWOAW-KRWDZBQOSA-N 0 3 347.503 3.792 20 30 EHEDHN C[C@@H](CC1CCCCC1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000114617841 1137784820 /nfs/dbraw/zinc/78/48/20/1137784820.db2.gz OHNULBBJIKALFB-MAUKXSAKSA-N 0 3 326.440 3.618 20 30 EHEDHN C=CCCC[C@@H](NCc1ccc(-n2cncn2)nc1)c1ccccc1 ZINC000883173175 1137847055 /nfs/dbraw/zinc/84/70/55/1137847055.db2.gz DURGDQBXWZFTSO-LJQANCHMSA-N 0 3 333.439 3.850 20 30 EHEDHN N#Cc1ccsc1NC(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104698604 1137878986 /nfs/dbraw/zinc/87/89/86/1137878986.db2.gz OXTPUDWVXMIOEX-QGZVFWFLSA-N 0 3 325.437 3.689 20 30 EHEDHN CC(C)(C)Sc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1 ZINC000884121489 1137911475 /nfs/dbraw/zinc/91/14/75/1137911475.db2.gz QBTDSEJZBRFJKX-SHYRYGCCSA-N 0 3 343.496 3.655 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(OC)c(OCC)c2)cc1 ZINC000114505544 1137917705 /nfs/dbraw/zinc/91/77/05/1137917705.db2.gz GXLQQVDLTGTNRM-UHFFFAOYSA-N 0 3 339.435 3.786 20 30 EHEDHN C=C[C@@H](CC(=O)N(CCN(C)C)Cc1ccco1)c1ccccc1 ZINC000125657761 1138313633 /nfs/dbraw/zinc/31/36/33/1138313633.db2.gz GXLUYCDTKUASNF-KRWDZBQOSA-N 0 3 326.440 3.530 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCC[C@@H](C)c2ccccc2)CC1 ZINC000264356746 1138486381 /nfs/dbraw/zinc/48/63/81/1138486381.db2.gz FETLHDHYEOALEG-QGZVFWFLSA-N 0 3 329.488 3.520 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)CC1 ZINC000174770560 1139440620 /nfs/dbraw/zinc/44/06/20/1139440620.db2.gz USJBIMUYZMYTOX-WMZOPIPTSA-N 0 3 345.487 3.803 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000178541905 1139702491 /nfs/dbraw/zinc/70/24/91/1139702491.db2.gz PNPRQTDZUKETCA-UHFFFAOYSA-N 0 3 346.780 3.739 20 30 EHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000180548957 1139844475 /nfs/dbraw/zinc/84/44/75/1139844475.db2.gz HMPUQEPQIFOMRH-INIZCTEOSA-N 0 3 349.434 3.567 20 30 EHEDHN CCN(CC)C(=O)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181448641 1139907771 /nfs/dbraw/zinc/90/77/71/1139907771.db2.gz XIGCNRBPWDWZPF-MRXNPFEDSA-N 0 3 335.451 3.891 20 30 EHEDHN C[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000181545470 1139913821 /nfs/dbraw/zinc/91/38/21/1139913821.db2.gz LHWFJQTYDHQHDY-INIZCTEOSA-N 0 3 333.435 3.531 20 30 EHEDHN COc1cc(Br)ccc1CCCN1CCC(C#N)CC1 ZINC000181643499 1139921233 /nfs/dbraw/zinc/92/12/33/1139921233.db2.gz ZVERIXWOSYHNRY-UHFFFAOYSA-N 0 3 337.261 3.626 20 30 EHEDHN COc1cc([C@@H](C)NCc2cc(C#N)n(C)c2)ccc1OCC(C)C ZINC000190731304 1140415927 /nfs/dbraw/zinc/41/59/27/1140415927.db2.gz JSNIEMGKXCYZEP-OAHLLOKOSA-N 0 3 341.455 3.791 20 30 EHEDHN FC(F)(F)Oc1ccc(C#CCN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000269637398 1141131005 /nfs/dbraw/zinc/13/10/05/1141131005.db2.gz RIYBXWFLOZGMFR-UHFFFAOYSA-N 0 3 349.356 3.539 20 30 EHEDHN CN(Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCCOC1 ZINC000348712156 1141569350 /nfs/dbraw/zinc/56/93/50/1141569350.db2.gz TXFSYVFEFBKUKN-HXUWFJFHSA-N 0 3 336.435 3.748 20 30 EHEDHN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(OC)cc1 ZINC000019625898 522731019 /nfs/dbraw/zinc/73/10/19/522731019.db2.gz GOVKYXWXKSIKFN-KDOFPFPSSA-N 0 3 337.423 3.635 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1c1cccc2ccccc21 ZINC000064791957 1014399242 /nfs/dbraw/zinc/39/92/42/1014399242.db2.gz NUOQQTBFHRZNAV-DYESRHJHSA-N 0 3 349.478 3.985 20 30 EHEDHN N#Cc1ccc(CNCc2ccc(COC3CCOCC3)cc2)cc1 ZINC000126981523 1015149659 /nfs/dbraw/zinc/14/96/59/1015149659.db2.gz RWQGECPPKZGLBH-UHFFFAOYSA-N 0 3 336.435 3.544 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)Cc2c(C)noc2C)c([O-])c1 ZINC000254989568 1015373289 /nfs/dbraw/zinc/37/32/89/1015373289.db2.gz HFJGHFCSAWVULT-RQZLXBNYSA-N 0 3 329.444 3.893 20 30 EHEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1ccccc1C#N ZINC000339661134 1015483490 /nfs/dbraw/zinc/48/34/90/1015483490.db2.gz RXMSXDPZOIEFMD-IBGZPJMESA-N 0 3 330.435 3.881 20 30 EHEDHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2CC2CCCCC2)cc1 ZINC001167252012 1016776914 /nfs/dbraw/zinc/77/69/14/1016776914.db2.gz PWYVJTMAETUWII-LJQANCHMSA-N 0 3 325.456 3.932 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CCC(C)(C)CO3)nc21 ZINC000892705100 1016927318 /nfs/dbraw/zinc/92/73/18/1016927318.db2.gz OIWDBQBTTARXLQ-KGLIPLIRSA-N 0 3 325.412 3.643 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1csc(-c2ccccc2)n1 ZINC000127995778 1032339553 /nfs/dbraw/zinc/33/95/53/1032339553.db2.gz CYYHMSLFFJPJGX-OAHLLOKOSA-N 0 3 347.399 3.771 20 30 EHEDHN CCOC[C@@H]1CCCCN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000459676834 1032405714 /nfs/dbraw/zinc/40/57/14/1032405714.db2.gz OUISRWNKMDDAGI-SFHVURJKSA-N 0 3 346.471 3.769 20 30 EHEDHN C=CCC[C@H](NCC(=O)NCCC)c1ccc(C(F)(F)F)cc1 ZINC000537131854 1032530346 /nfs/dbraw/zinc/53/03/46/1032530346.db2.gz DUUNMKJZSKOMCD-HNNXBMFYSA-N 0 3 328.378 3.829 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000449465387 1032616482 /nfs/dbraw/zinc/61/64/82/1032616482.db2.gz CPQJREDJTCKLOY-USXIJHARSA-N 0 3 338.373 3.702 20 30 EHEDHN C[C@@H]1C[C@@H]1c1noc(CC2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000593075170 1032770548 /nfs/dbraw/zinc/77/05/48/1032770548.db2.gz AOTQKLJEYAHVOG-KDOFPFPSSA-N 0 3 336.439 3.519 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1F ZINC000594019180 1032789468 /nfs/dbraw/zinc/78/94/68/1032789468.db2.gz CWGXZGHCFHCHPN-GOSISDBHSA-N 0 3 325.387 3.767 20 30 EHEDHN N#Cc1cnc(Nc2cccc(CN3CCSCC3)c2)c(Cl)c1 ZINC000513648903 1019906744 /nfs/dbraw/zinc/90/67/44/1019906744.db2.gz ASWFUDIXCWTFCO-UHFFFAOYSA-N 0 3 344.871 3.899 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000155966066 1020359606 /nfs/dbraw/zinc/35/96/06/1020359606.db2.gz NQXYYVJXTBGGIS-UHFFFAOYSA-N 0 3 344.352 3.615 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)Cc2ccc(C)cc2)CC1 ZINC000419451645 1020659853 /nfs/dbraw/zinc/65/98/53/1020659853.db2.gz DTIWVLGQGLNNBD-UHFFFAOYSA-N 0 3 343.515 3.656 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000341022172 1020873555 /nfs/dbraw/zinc/87/35/55/1020873555.db2.gz UZWKQWIWCJOJIC-HXUWFJFHSA-N 0 3 329.488 3.859 20 30 EHEDHN C[C@@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1cccc(C#N)c1 ZINC000276250838 1020960971 /nfs/dbraw/zinc/96/09/71/1020960971.db2.gz WEZCELCCJIMLDS-BEFAXECRSA-N 0 3 325.456 3.533 20 30 EHEDHN C=CCC[C@@H](NC[C@@H](O)c1cc(OC)cc(OC)c1)c1ccco1 ZINC000276397258 1021179892 /nfs/dbraw/zinc/17/98/92/1021179892.db2.gz CQBYBQHYAIKMAY-QZTJIDSGSA-N 0 3 331.412 3.627 20 30 EHEDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000546230124 1021366736 /nfs/dbraw/zinc/36/67/36/1021366736.db2.gz UVFTXRZPTQAXBK-QGZVFWFLSA-N 0 3 327.472 3.639 20 30 EHEDHN CSc1ccc([C@@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000439480397 1021487502 /nfs/dbraw/zinc/48/75/02/1021487502.db2.gz XPESPNRFGDIDFT-LBTNJELSSA-N 0 3 333.501 3.502 20 30 EHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1OCC1CC1 ZINC000602550972 1032986879 /nfs/dbraw/zinc/98/68/79/1032986879.db2.gz AQLDKKAFCXPZCZ-MRXNPFEDSA-N 0 3 328.456 3.664 20 30 EHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000178176420 1021931649 /nfs/dbraw/zinc/93/16/49/1021931649.db2.gz HCDSMZJFBOJOFF-CABCVRRESA-N 0 3 335.407 3.927 20 30 EHEDHN Cc1ccc([C@H]2CSCCN2C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000156423797 1022214015 /nfs/dbraw/zinc/21/40/15/1022214015.db2.gz DGVYNAOCBUUOFM-UXHICEINSA-N 0 3 338.476 3.690 20 30 EHEDHN N#CC1CCC(NCc2cc(F)c(F)cc2Br)CC1 ZINC000602654364 1033055473 /nfs/dbraw/zinc/05/54/73/1033055473.db2.gz LXMQPAXGAXICFW-UHFFFAOYSA-N 0 3 329.188 3.899 20 30 EHEDHN C[C@H](Oc1cccnc1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000328650823 1022453811 /nfs/dbraw/zinc/45/38/11/1022453811.db2.gz BDJVFHSZUXPMSH-KRWDZBQOSA-N 0 3 345.487 3.852 20 30 EHEDHN CC(C)c1ccc([C@H](C)NCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000042979354 1022627230 /nfs/dbraw/zinc/62/72/30/1022627230.db2.gz OLWTYDVXTCMPHM-INIZCTEOSA-N 0 3 327.472 3.803 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@]2(c3cccc(C)c3)C[C@H]2CC)CC1 ZINC000507185026 1023167363 /nfs/dbraw/zinc/16/73/63/1023167363.db2.gz YDXQBRKVFTTYTE-UTKZUKDTSA-N 0 3 341.499 3.570 20 30 EHEDHN C=CCc1cc(CNCc2ccc3c(c2)CCCN3)cc(OC)c1O ZINC000414974572 1023208195 /nfs/dbraw/zinc/20/81/95/1023208195.db2.gz DSZGPUUOJGJHFP-UHFFFAOYSA-N 0 3 338.451 3.777 20 30 EHEDHN CSc1cccc(N(C(=O)CCCCC#N)C2CCN(C)CC2)c1 ZINC000593973984 1033134377 /nfs/dbraw/zinc/13/43/77/1033134377.db2.gz QVYRHAUTASPYBV-UHFFFAOYSA-N 0 3 345.512 3.920 20 30 EHEDHN CC[C@H](NCCOc1ccc(C#N)cc1OC)c1ccc(F)cc1F ZINC000341860672 1023477520 /nfs/dbraw/zinc/47/75/20/1023477520.db2.gz SIHJRQCTCBQRGI-KRWDZBQOSA-N 0 3 346.377 3.965 20 30 EHEDHN C=C[C@@H](CC(=O)N(CCN(C)C)Cc1ccsc1)c1ccccc1 ZINC000458223283 1023646313 /nfs/dbraw/zinc/64/63/13/1023646313.db2.gz MRMMDTMMJPVHIB-SFHVURJKSA-N 0 3 342.508 3.998 20 30 EHEDHN CC(C)(C#N)c1ccccc1CNC(C)(C)C(=O)Nc1ccccc1 ZINC000610859300 1023798865 /nfs/dbraw/zinc/79/88/65/1023798865.db2.gz HGEDRCUTGACIAJ-UHFFFAOYSA-N 0 3 335.451 3.995 20 30 EHEDHN COC(=O)c1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1F ZINC000610871174 1023820852 /nfs/dbraw/zinc/82/08/52/1023820852.db2.gz PKLCJWPUMUVUQK-HNNXBMFYSA-N 0 3 348.333 3.651 20 30 EHEDHN COC(=O)c1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)cc1F ZINC000610871174 1023820856 /nfs/dbraw/zinc/82/08/56/1023820856.db2.gz PKLCJWPUMUVUQK-HNNXBMFYSA-N 0 3 348.333 3.651 20 30 EHEDHN C=CCN(CCC(=O)N1CCc2ccccc21)Cc1cccc(C#N)c1 ZINC000063300269 1033172210 /nfs/dbraw/zinc/17/22/10/1033172210.db2.gz VPRYDYIEQYSBBP-UHFFFAOYSA-N 0 3 345.446 3.526 20 30 EHEDHN Cc1nc(C)c(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)s1 ZINC000329646628 1023975308 /nfs/dbraw/zinc/97/53/08/1023975308.db2.gz ZVZPHJYBLLHLBD-MLGOLLRUSA-N 0 3 344.484 3.606 20 30 EHEDHN C=CCCCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000474089717 1024130494 /nfs/dbraw/zinc/13/04/94/1024130494.db2.gz OJJSGVGVDXIMBK-IBGZPJMESA-N 0 3 329.488 3.649 20 30 EHEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000329812513 1024206117 /nfs/dbraw/zinc/20/61/17/1024206117.db2.gz SBUSXSJXMADIRF-BZNIZROVSA-N 0 3 344.846 3.517 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000443660960 1024375206 /nfs/dbraw/zinc/37/52/06/1024375206.db2.gz ZTIZTHVWFDAIIR-BRWVUGGUSA-N 0 3 345.462 3.829 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)c1ccsc1 ZINC000346131049 1024434603 /nfs/dbraw/zinc/43/46/03/1024434603.db2.gz AXFPPIDMFUSSLF-KRWDZBQOSA-N 0 3 345.443 3.572 20 30 EHEDHN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000434892453 1024478180 /nfs/dbraw/zinc/47/81/80/1024478180.db2.gz RPKIDGQUMODHTC-DNVCBOLYSA-N 0 3 344.418 3.986 20 30 EHEDHN C[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)N1[C@H](C)CC[C@H]1C ZINC000346167790 1024482425 /nfs/dbraw/zinc/48/24/25/1024482425.db2.gz ZUDXREPZFDRAAL-KZNAEPCWSA-N 0 3 347.462 3.681 20 30 EHEDHN COc1ccc(C[C@@H](C)C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000179008812 1024523341 /nfs/dbraw/zinc/52/33/41/1024523341.db2.gz YOBHEAAEXVCIPR-CZUORRHYSA-N 0 3 334.375 3.891 20 30 EHEDHN COCCOc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000346205692 1024528849 /nfs/dbraw/zinc/52/88/49/1024528849.db2.gz VEIBAMCXATUCEZ-CQSZACIVSA-N 0 3 328.387 3.573 20 30 EHEDHN Cc1ccc([C@@]2(C)CCN(Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000435037583 1024560998 /nfs/dbraw/zinc/56/09/98/1024560998.db2.gz OLFLIQQYPDZKSH-NRFANRHFSA-N 0 3 330.435 3.678 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNCC2(C#N)CCCC2)C1 ZINC000895141269 1024997220 /nfs/dbraw/zinc/99/72/20/1024997220.db2.gz JMEPMJUGZQLAMR-SFHVURJKSA-N 0 3 335.492 3.697 20 30 EHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cc2ccc(F)cc2[nH]1 ZINC000561983912 1025009871 /nfs/dbraw/zinc/00/98/71/1025009871.db2.gz ZSKSQXLQOQIWKG-UHFFFAOYSA-N 0 3 337.398 3.827 20 30 EHEDHN C=CCN(CC=C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000515290864 1025154679 /nfs/dbraw/zinc/15/46/79/1025154679.db2.gz JJVKGXMNOLQZEW-KRWDZBQOSA-N 0 3 347.528 3.905 20 30 EHEDHN CN(C)Cc1ccc(-c2noc(C3(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000548687055 1025376260 /nfs/dbraw/zinc/37/62/60/1025376260.db2.gz AXVFOSKORYPGHZ-UHFFFAOYSA-N 0 3 344.418 3.750 20 30 EHEDHN Cc1ccc(F)c(NC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000505755768 1025378909 /nfs/dbraw/zinc/37/89/09/1025378909.db2.gz HNDUWXXHSFOOAE-LLVKDONJSA-N 0 3 325.368 3.990 20 30 EHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(-c2ccc(OC)cc2)n1 ZINC000684767396 1025382373 /nfs/dbraw/zinc/38/23/73/1025382373.db2.gz ICWGOLIRGFPXIP-CRAIPNDOSA-N 0 3 344.480 3.890 20 30 EHEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2Cc2cc(C#N)ccc2F)C1 ZINC000439012968 1025403219 /nfs/dbraw/zinc/40/32/19/1025403219.db2.gz VRPPNENONBDYAY-UDDICAGYSA-N 0 3 330.447 3.849 20 30 EHEDHN C=CCOc1cccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000098024146 1025406372 /nfs/dbraw/zinc/40/63/72/1025406372.db2.gz MEGRRKKACMASJY-LJQANCHMSA-N 0 3 339.439 3.676 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000521588938 1025505943 /nfs/dbraw/zinc/50/59/43/1025505943.db2.gz NLGHDZZQTAWNAO-UHFFFAOYSA-N 0 3 325.815 3.641 20 30 EHEDHN Cc1ccc(Cl)cc1N1CC[C@H](CNC[C@@H](C#N)CCC#N)C1 ZINC000521613132 1025525031 /nfs/dbraw/zinc/52/50/31/1025525031.db2.gz SCGLXZDUMRIKEE-HZPDHXFCSA-N 0 3 330.863 3.508 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000425532441 1025658573 /nfs/dbraw/zinc/65/85/73/1025658573.db2.gz BSPHURISBCWZBB-KBXCAEBGSA-N 0 3 344.842 3.644 20 30 EHEDHN C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336974 1025674505 /nfs/dbraw/zinc/67/45/05/1025674505.db2.gz WLQMMTHKMBQYEN-OSRSDYAFSA-N 0 3 345.874 3.578 20 30 EHEDHN N#Cc1ccc(OCCNCc2c(Cl)ccc3cccnc32)cc1 ZINC000611584306 1025705065 /nfs/dbraw/zinc/70/50/65/1025705065.db2.gz DMKAGSGTAMSBDO-UHFFFAOYSA-N 0 3 337.810 3.928 20 30 EHEDHN C[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC(=O)N1 ZINC000329336472 1025760817 /nfs/dbraw/zinc/76/08/17/1025760817.db2.gz LUYCNMUCPAUAAD-PVAVHDDUSA-N 0 3 329.444 3.535 20 30 EHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1sccc1C#N ZINC000347287408 1025832865 /nfs/dbraw/zinc/83/28/65/1025832865.db2.gz HZEMVDPXBDOLBH-QGZVFWFLSA-N 0 3 341.480 3.506 20 30 EHEDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1CCC(=O)Nc1sccc1C#N ZINC000451422249 1025960884 /nfs/dbraw/zinc/96/08/84/1025960884.db2.gz TYTOENBVTZFAIP-ZYHUDNBSSA-N 0 3 345.390 3.611 20 30 EHEDHN COCCOCCN(Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000186256160 1026359818 /nfs/dbraw/zinc/35/98/18/1026359818.db2.gz DPBHXLVFNRGWSZ-UHFFFAOYSA-N 0 3 338.451 3.532 20 30 EHEDHN CCO[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1Br ZINC000452047879 1026455480 /nfs/dbraw/zinc/45/54/80/1026455480.db2.gz GBYVVLSTMQWMJM-HZPDHXFCSA-N 0 3 337.261 3.758 20 30 EHEDHN C[C@@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000475336740 1026490568 /nfs/dbraw/zinc/49/05/68/1026490568.db2.gz YUSJPMIVWGJWFR-INIZCTEOSA-N 0 3 329.488 3.521 20 30 EHEDHN C[C@@](C#N)(NC(=O)CN(Cc1ccccc1)C1CCCCC1)C1CC1 ZINC000054255649 1026573349 /nfs/dbraw/zinc/57/33/49/1026573349.db2.gz JQUNUGPCJSFRJT-NRFANRHFSA-N 0 3 339.483 3.630 20 30 EHEDHN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000192950980 1026653175 /nfs/dbraw/zinc/65/31/75/1026653175.db2.gz CWASKPREKIGFMU-GJZGRUSLSA-N 0 3 337.423 3.959 20 30 EHEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000472239678 1026903472 /nfs/dbraw/zinc/90/34/72/1026903472.db2.gz LMXYJCIVKUYGHN-HXUWFJFHSA-N 0 3 341.499 3.791 20 30 EHEDHN C=CCCN(C)CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000342739286 1026913757 /nfs/dbraw/zinc/91/37/57/1026913757.db2.gz UWJHRYKVVOFGHC-NRFANRHFSA-N 0 3 334.463 3.669 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000128338515 1027421995 /nfs/dbraw/zinc/42/19/95/1027421995.db2.gz BMGBMBMOSSUXRJ-UHFFFAOYSA-N 0 3 347.462 3.603 20 30 EHEDHN CN(C)[C@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000454236965 1027635384 /nfs/dbraw/zinc/63/53/84/1027635384.db2.gz FYOVMPDSFBZPNL-HXUWFJFHSA-N 0 3 349.478 3.546 20 30 EHEDHN COCCc1nc(C)c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618805908 1027677778 /nfs/dbraw/zinc/67/77/78/1027677778.db2.gz PKDPMDIVLOJNMJ-SJKOYZFVSA-N 0 3 341.480 3.850 20 30 EHEDHN N#Cc1cc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1F ZINC000282008182 1027724733 /nfs/dbraw/zinc/72/47/33/1027724733.db2.gz JHKUGHNEILAGKK-MRXNPFEDSA-N 0 3 338.430 3.610 20 30 EHEDHN N#Cc1ccc2ncc(CNCc3cccc(-c4ccccn4)c3)n2c1 ZINC000130273047 1027981192 /nfs/dbraw/zinc/98/11/92/1027981192.db2.gz ISQAYWYUYDIBAU-UHFFFAOYSA-N 0 3 339.402 3.558 20 30 EHEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc(C(=O)OC)cc1 ZINC000340392846 1028685078 /nfs/dbraw/zinc/68/50/78/1028685078.db2.gz CIAGVFBQTTVMEX-SFHVURJKSA-N 0 3 338.407 3.594 20 30 EHEDHN CCCCc1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1 ZINC000424063781 1028772306 /nfs/dbraw/zinc/77/23/06/1028772306.db2.gz IUCNYEAPANDGHY-MOPGFXCFSA-N 0 3 329.488 3.864 20 30 EHEDHN CCn1c2ccccc2c2cc(NC(=O)[C@@H](N)CCCC#N)ccc21 ZINC000424073948 1028776152 /nfs/dbraw/zinc/77/61/52/1028776152.db2.gz GGIUGTCBWONGHU-KRWDZBQOSA-N 0 3 334.423 3.774 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000424114555 1028809520 /nfs/dbraw/zinc/80/95/20/1028809520.db2.gz RKRYKHSQOAAXBU-GOSISDBHSA-N 0 3 341.842 3.644 20 30 EHEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000424135704 1028826517 /nfs/dbraw/zinc/82/65/17/1028826517.db2.gz ZSCDOHLMWRGNHG-DOMZBBRYSA-N 0 3 341.377 3.636 20 30 EHEDHN CC(C)c1ccc(C2(CNC(=O)[C@H](N)CCCC#N)CCCC2)cc1 ZINC000424147144 1028835350 /nfs/dbraw/zinc/83/53/50/1028835350.db2.gz XSUOVTIDYCRWQX-LJQANCHMSA-N 0 3 341.499 3.759 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000248675712 1028936998 /nfs/dbraw/zinc/93/69/98/1028936998.db2.gz CUYJYLRDWUZKMQ-IERDGZPVSA-N 0 3 334.419 3.609 20 30 EHEDHN C=CCn1cc(CN[C@H](C)CCc2cccc(C(F)(F)F)c2)nn1 ZINC000424298666 1028939384 /nfs/dbraw/zinc/93/93/84/1028939384.db2.gz SXIBANYWTJOXJD-CYBMUJFWSA-N 0 3 338.377 3.594 20 30 EHEDHN O=C1C=C2CN(Cc3ccc(C(F)(F)F)c(F)c3)CCC2S1 ZINC001204863264 1029149909 /nfs/dbraw/zinc/14/99/09/1029149909.db2.gz UYLHBJJWIKGMBR-ZDUSSCGKSA-N 0 3 331.334 3.619 20 30 EHEDHN C=C(C)CN(CC)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000054009492 1029279146 /nfs/dbraw/zinc/27/91/46/1029279146.db2.gz NNEIFPWUXKDYSL-IBGZPJMESA-N 0 3 347.503 3.686 20 30 EHEDHN COC(=O)c1cccc(CN2CCC[C@@H]2Cc2ccccc2)c1C#N ZINC000535978125 1029450186 /nfs/dbraw/zinc/45/01/86/1029450186.db2.gz MXQBSDXBGPPCEQ-GOSISDBHSA-N 0 3 334.419 3.552 20 30 EHEDHN Cc1cc(C)c([C@H](C)N2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 ZINC000533248614 1029525499 /nfs/dbraw/zinc/52/54/99/1029525499.db2.gz UGVMCZZEQVWFGJ-SFHVURJKSA-N 0 3 334.467 3.762 20 30 EHEDHN COc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114621173 1029534066 /nfs/dbraw/zinc/53/40/66/1029534066.db2.gz BZJHSEAMCQPUSM-OAHLLOKOSA-N 0 3 335.388 3.704 20 30 EHEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533290805 1029584326 /nfs/dbraw/zinc/58/43/26/1029584326.db2.gz MXNINHXJRNALAQ-PBFPGSCMSA-N 0 3 331.847 3.803 20 30 EHEDHN C=C(CC)CNC1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1 ZINC000358624870 1029614335 /nfs/dbraw/zinc/61/43/35/1029614335.db2.gz IUCKSGHWMYAZKB-UHFFFAOYSA-N 0 3 332.444 3.511 20 30 EHEDHN N#C[C@@H]1CCC[C@H](NCc2cc(Br)cc3c2OCC3)C1 ZINC000446761761 1029793957 /nfs/dbraw/zinc/79/39/57/1029793957.db2.gz ZUXIXVQCDDMEFU-ABAIWWIYSA-N 0 3 335.245 3.556 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](NCc2cc(Br)cc3c2OCC3)C1 ZINC000446761762 1029794025 /nfs/dbraw/zinc/79/40/25/1029794025.db2.gz ZUXIXVQCDDMEFU-IAQYHMDHSA-N 0 3 335.245 3.556 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CCCC3)CC1 ZINC000455745073 1029875628 /nfs/dbraw/zinc/87/56/28/1029875628.db2.gz SHCNVKDCOIDGNF-UHFFFAOYSA-N 0 3 327.472 3.727 20 30 EHEDHN CC[C@H](CN(CC)CC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000481739935 1029897495 /nfs/dbraw/zinc/89/74/95/1029897495.db2.gz URPLRVOVBCVJAC-XLIONFOSSA-N 0 3 329.488 3.557 20 30 EHEDHN C=CCC[C@H](NCC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000089544707 1029937343 /nfs/dbraw/zinc/93/73/43/1029937343.db2.gz DVTYIMRYYAHTLH-SFHVURJKSA-N 0 3 340.492 3.930 20 30 EHEDHN N#CC1(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000343258028 1029953800 /nfs/dbraw/zinc/95/38/00/1029953800.db2.gz GUXVFIQSBDKEHF-UHFFFAOYSA-N 0 3 337.389 3.517 20 30 EHEDHN C=CCSCCNCc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000482201263 1030254445 /nfs/dbraw/zinc/25/44/45/1030254445.db2.gz XEEIOVZESXIZCV-UHFFFAOYSA-N 0 3 331.437 3.742 20 30 EHEDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OCC#N)cc1 ZINC000193902504 1030617153 /nfs/dbraw/zinc/61/71/53/1030617153.db2.gz WKOPZIDFGGSTKU-ZIAGYGMSSA-N 0 3 325.368 3.909 20 30 EHEDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OCC#N)cc1 ZINC000193902459 1030618281 /nfs/dbraw/zinc/61/82/81/1030618281.db2.gz WKOPZIDFGGSTKU-KBPBESRZSA-N 0 3 325.368 3.909 20 30 EHEDHN CC[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCS1 ZINC000093502020 1030622407 /nfs/dbraw/zinc/62/24/07/1030622407.db2.gz PYVFNGRRZRGAEC-SFHVURJKSA-N 0 3 340.496 3.791 20 30 EHEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)cc(C(F)(F)F)c1 ZINC001143451518 1030638654 /nfs/dbraw/zinc/63/86/54/1030638654.db2.gz QMYVHVYITIPDFE-AWEZNQCLSA-N 0 3 327.371 3.788 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3ccccc3)CC2)CC1 ZINC000171560873 1030794506 /nfs/dbraw/zinc/79/45/06/1030794506.db2.gz ZPFUBEFNVSNFBO-UHFFFAOYSA-N 0 3 341.499 3.616 20 30 EHEDHN CO[C@]1(C)CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000482973474 1030872366 /nfs/dbraw/zinc/87/23/66/1030872366.db2.gz DYMOXAWGRCONFV-QGZVFWFLSA-N 0 3 341.373 3.828 20 30 EHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccco1 ZINC000116404680 1031153304 /nfs/dbraw/zinc/15/33/04/1031153304.db2.gz AJMZXCVSCDOPBZ-ZWKOTPCHSA-N 0 3 327.424 3.585 20 30 EHEDHN N#CCc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000343519001 1031220164 /nfs/dbraw/zinc/22/01/64/1031220164.db2.gz CJSPBADNOKCCKY-UHFFFAOYSA-N 0 3 331.419 3.668 20 30 EHEDHN C=CCSc1ccccc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000584012075 1031415964 /nfs/dbraw/zinc/41/59/64/1031415964.db2.gz YCSALXCEFFGMMR-XYJFISCASA-N 0 3 344.524 3.767 20 30 EHEDHN N#CCc1ccc(CN2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC000343588595 1031531298 /nfs/dbraw/zinc/53/12/98/1031531298.db2.gz WUMQZWFKFLPWGN-NRFANRHFSA-N 0 3 347.462 3.537 20 30 EHEDHN C[C@H](C1CC1)N(CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1 ZINC000052795374 1031676987 /nfs/dbraw/zinc/67/69/87/1031676987.db2.gz LPIDFJBNSKAMIQ-QGZVFWFLSA-N 0 3 339.483 3.630 20 30 EHEDHN C=CCN(CC(=O)NCc1cccc(COC)c1)CC1CCCCC1 ZINC000484600703 1031777468 /nfs/dbraw/zinc/77/74/68/1031777468.db2.gz RJIGBCSMOVJNBB-UHFFFAOYSA-N 0 3 344.499 3.518 20 30 EHEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584175521 1031858690 /nfs/dbraw/zinc/85/86/90/1031858690.db2.gz CFSUPQQJKFJYRG-GUYCJALGSA-N 0 3 339.370 3.984 20 30 EHEDHN Cc1c(CSC(C)C)cccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594433989 1033369400 /nfs/dbraw/zinc/36/94/00/1033369400.db2.gz VYKAEFYSHGHGNB-INIZCTEOSA-N 0 3 333.501 3.986 20 30 EHEDHN Cc1cccc([C@H]2CCCCN2C(=O)[C@@H](N)CCCCC#N)c1C ZINC000594433783 1033371213 /nfs/dbraw/zinc/37/12/13/1033371213.db2.gz SOVJXIYFXBPPKC-RBUKOAKNSA-N 0 3 327.472 3.768 20 30 EHEDHN Cc1cccc([C@@H]2CCCCN2C(=O)[C@H](N)CCCCC#N)c1C ZINC000594433781 1033373278 /nfs/dbraw/zinc/37/32/78/1033373278.db2.gz SOVJXIYFXBPPKC-MOPGFXCFSA-N 0 3 327.472 3.768 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000594436416 1033374601 /nfs/dbraw/zinc/37/46/01/1033374601.db2.gz IXLSIWBPBCFIDS-OAQYLSRUSA-N 0 3 349.478 3.957 20 30 EHEDHN Cc1ccc(-c2csc(NC(=O)[C@@H](N)CCCCC#N)n2)cc1C ZINC000594427077 1033388272 /nfs/dbraw/zinc/38/82/72/1033388272.db2.gz SQFZOBLHTFSJQL-HNNXBMFYSA-N 0 3 342.468 3.777 20 30 EHEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000594498735 1033399178 /nfs/dbraw/zinc/39/91/78/1033399178.db2.gz VBPPOABLWDOXDW-LJQANCHMSA-N 0 3 339.483 3.511 20 30 EHEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000594499414 1033402060 /nfs/dbraw/zinc/40/20/60/1033402060.db2.gz DDAZLNNTHTWNDF-HXUWFJFHSA-N 0 3 347.462 3.773 20 30 EHEDHN C[C@H](c1ccccc1F)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000063522137 1033435850 /nfs/dbraw/zinc/43/58/50/1033435850.db2.gz DLXVJPFYXAGLHW-CQSZACIVSA-N 0 3 325.387 3.719 20 30 EHEDHN COC[C@@H](C)Oc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594969310 1033574662 /nfs/dbraw/zinc/57/46/62/1033574662.db2.gz OYSRJJWHGSRYOT-MRXNPFEDSA-N 0 3 338.451 3.997 20 30 EHEDHN COCCOCc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594970573 1033576969 /nfs/dbraw/zinc/57/69/69/1033576969.db2.gz YODIFYMNSFMLCR-UHFFFAOYSA-N 0 3 338.451 3.746 20 30 EHEDHN Cn1nc(C(F)(F)F)cc1CN[C@H](CCCC#N)c1ccccc1 ZINC000594942981 1033588245 /nfs/dbraw/zinc/58/82/45/1033588245.db2.gz FOAKEWVHGPYXJV-OAHLLOKOSA-N 0 3 336.361 3.964 20 30 EHEDHN C[C@H](CCc1ccccc1F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173968107 1033637877 /nfs/dbraw/zinc/63/78/77/1033637877.db2.gz UCXRCRJJLWZEOI-PBHICJAKSA-N 0 3 338.382 3.742 20 30 EHEDHN N#CC1(C[C@H](O)CNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000599345981 1033878857 /nfs/dbraw/zinc/87/88/57/1033878857.db2.gz FRMGLKOTBJRJFC-SFHVURJKSA-N 0 3 342.389 3.699 20 30 EHEDHN N#Cc1ccc(CN(C[C@H]2COC3(CCCCC3)O2)C2CC2)cc1 ZINC001168415231 1033889262 /nfs/dbraw/zinc/88/92/62/1033889262.db2.gz ZMRJGIPXRUAPLQ-IBGZPJMESA-N 0 3 326.440 3.598 20 30 EHEDHN Cc1ccc(CN2CCC=C(c3cn(C(C)C)nn3)CC2)cc1C#N ZINC000599433197 1033935774 /nfs/dbraw/zinc/93/57/74/1033935774.db2.gz CVZYULNQEBZYID-UHFFFAOYSA-N 0 3 335.455 3.719 20 30 EHEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCC2 ZINC000595778740 1033996895 /nfs/dbraw/zinc/99/68/95/1033996895.db2.gz UKWCHCXHEWEDOA-SJORKVTESA-N 0 3 343.427 3.682 20 30 EHEDHN N#Cc1c(F)cccc1N1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000603875506 1033998944 /nfs/dbraw/zinc/99/89/44/1033998944.db2.gz PLLHSUWAGJDLKG-HXUWFJFHSA-N 0 3 335.426 3.897 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000595842480 1034005344 /nfs/dbraw/zinc/00/53/44/1034005344.db2.gz RQPSYVZOTVOPMX-ZACQAIPSSA-N 0 3 341.455 3.523 20 30 EHEDHN Cc1cccc([C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C(C)C)c1 ZINC000599628134 1034051101 /nfs/dbraw/zinc/05/11/01/1034051101.db2.gz PKPLHDQIMDJAGY-ILZDJORESA-N 0 3 329.488 3.725 20 30 EHEDHN COc1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc(OC)c1C ZINC000647374552 1034069162 /nfs/dbraw/zinc/06/91/62/1034069162.db2.gz GGEMTXNLQJQQSQ-CYBMUJFWSA-N 0 3 342.420 3.836 20 30 EHEDHN N#Cc1cc2cccnc2nc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000596079671 1034070971 /nfs/dbraw/zinc/07/09/71/1034070971.db2.gz VNBVIXGGJMXXFO-LJQANCHMSA-N 0 3 343.434 3.578 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCC2(CC2)CC1 ZINC000599673688 1034082089 /nfs/dbraw/zinc/08/20/89/1034082089.db2.gz VYOCZIJYPNRMOQ-INIZCTEOSA-N 0 3 343.446 3.727 20 30 EHEDHN C[C@H](c1ccccc1)N1CCC(Nc2nc(C#N)c(Cl)s2)CC1 ZINC000596131735 1034085803 /nfs/dbraw/zinc/08/58/03/1034085803.db2.gz CHBGUYOXTHEFTF-GFCCVEGCSA-N 0 3 346.887 3.728 20 30 EHEDHN C[C@@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CCCO1 ZINC000179399798 1034278403 /nfs/dbraw/zinc/27/84/03/1034278403.db2.gz CBSZRESPYJIEEB-QGZVFWFLSA-N 0 3 336.435 3.748 20 30 EHEDHN COC(=O)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1Cl ZINC000597117219 1034548191 /nfs/dbraw/zinc/54/81/91/1034548191.db2.gz JXKRJFQEYMTCFP-GOSISDBHSA-N 0 3 340.810 3.775 20 30 EHEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000892496391 1034915144 /nfs/dbraw/zinc/91/51/44/1034915144.db2.gz YFNOKZABOVFZIZ-LBPRGKRZSA-N 0 3 348.830 3.907 20 30 EHEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000892498432 1034974814 /nfs/dbraw/zinc/97/48/14/1034974814.db2.gz IQXXTMDYQOPALR-AWEZNQCLSA-N 0 3 346.814 3.742 20 30 EHEDHN N#Cc1ccc(CN2CC[C@H](C3CCOCC3)C2)c(Br)c1 ZINC000376168808 1035367685 /nfs/dbraw/zinc/36/76/85/1035367685.db2.gz WCOOWORQWDJQDB-HNNXBMFYSA-N 0 3 349.272 3.569 20 30 EHEDHN C#C[C@@H](NC1CCN(c2nccs2)CC1)c1ccc(Cl)cc1 ZINC000491231625 1035584542 /nfs/dbraw/zinc/58/45/42/1035584542.db2.gz UYQNZGSJCLWCRZ-MRXNPFEDSA-N 0 3 331.872 3.729 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000442681647 1035790086 /nfs/dbraw/zinc/79/00/86/1035790086.db2.gz PLTZGUMTWIDTGF-KRWDZBQOSA-N 0 3 337.442 3.966 20 30 EHEDHN C[C@H]1Cc2ccccc2CN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180197596 1036170910 /nfs/dbraw/zinc/17/09/10/1036170910.db2.gz HCAUPXKKYMMKHY-INIZCTEOSA-N 0 3 342.446 3.906 20 30 EHEDHN Fc1ccc(C#CCN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000539492286 1036813463 /nfs/dbraw/zinc/81/34/63/1036813463.db2.gz OGLQFYQSALLUFM-NRFANRHFSA-N 0 3 337.394 3.689 20 30 EHEDHN N#Cc1ccc(O[C@H]2CCN([C@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000428795545 1037171996 /nfs/dbraw/zinc/17/19/96/1037171996.db2.gz XACKVLIRKBCYOC-HKUYNNGSSA-N 0 3 337.398 3.623 20 30 EHEDHN N#C[C@H]1CC[C@@H](N[C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000591659806 1037538413 /nfs/dbraw/zinc/53/84/13/1037538413.db2.gz UUXMPLNXAQKSQW-IEAZIUSSSA-N 0 3 349.272 3.951 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000592293199 1037909684 /nfs/dbraw/zinc/90/96/84/1037909684.db2.gz BTTYLVBHVYWIRS-IBGZPJMESA-N 0 3 329.488 3.723 20 30 EHEDHN N#CCCCCNCc1cc(OC(F)F)ccc1Br ZINC000592363257 1037916117 /nfs/dbraw/zinc/91/61/17/1037916117.db2.gz OCDSMFYKWPOQOG-UHFFFAOYSA-N 0 3 333.176 3.834 20 30 EHEDHN COc1ccc2c(c1)OC[C@H]2CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000760969326 1037956670 /nfs/dbraw/zinc/95/66/70/1037956670.db2.gz UDXXITBESXWPDL-DOMZBBRYSA-N 0 3 348.358 3.579 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](CCC)CCc2ccccc2)CC1 ZINC000173197359 1037970652 /nfs/dbraw/zinc/97/06/52/1037970652.db2.gz IXUBFJJMHNDTDA-LJQANCHMSA-N 0 3 343.515 3.738 20 30 EHEDHN N#CC[C@@]1(O)CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000592521942 1038020933 /nfs/dbraw/zinc/02/09/33/1038020933.db2.gz FDGCCHOIGVGOOP-LJQANCHMSA-N 0 3 326.827 3.857 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000454201322 1038021027 /nfs/dbraw/zinc/02/10/27/1038021027.db2.gz FYGSQJXTWDDXDA-KRWDZBQOSA-N 0 3 348.450 3.544 20 30 EHEDHN COc1cc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)ccc1C#N ZINC000592527080 1038025947 /nfs/dbraw/zinc/02/59/47/1038025947.db2.gz DZFDPOMIRSMLMG-OAQYLSRUSA-N 0 3 348.446 3.726 20 30 EHEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccc(F)cc1F ZINC000181595158 1038637971 /nfs/dbraw/zinc/63/79/71/1038637971.db2.gz FFYRBFPHSJWLQI-LBPRGKRZSA-N 0 3 332.350 3.575 20 30 EHEDHN C=CC[C@@H](C(=O)NC[C@H](C)N(C)Cc1ccccc1)c1ccccc1 ZINC000488381035 1039133867 /nfs/dbraw/zinc/13/38/67/1039133867.db2.gz RLUGQBHZEGRRNX-GHTZIAJQSA-N 0 3 336.479 3.983 20 30 EHEDHN C=CCN1CCC(NC(=O)NCC(C)(C)c2ccc(C)cc2C)CC1 ZINC000488806007 1039409496 /nfs/dbraw/zinc/40/94/96/1039409496.db2.gz FQQKGLQLBUTOQV-UHFFFAOYSA-N 0 3 343.515 3.531 20 30 EHEDHN C=C[C@H](CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1 ZINC000554640036 1039549315 /nfs/dbraw/zinc/54/93/15/1039549315.db2.gz GZTVIHHSGYVGSZ-OXQOHEQNSA-N 0 3 340.442 3.905 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc2ncsc2c1 ZINC000485835668 1039620796 /nfs/dbraw/zinc/62/07/96/1039620796.db2.gz ZOALIIRKNYYCLF-KGLIPLIRSA-N 0 3 331.485 3.760 20 30 EHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000429842612 1040162003 /nfs/dbraw/zinc/16/20/03/1040162003.db2.gz HBVOEMFECGGNJF-CYBMUJFWSA-N 0 3 341.480 3.543 20 30 EHEDHN CN(C)[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000555141928 1040204289 /nfs/dbraw/zinc/20/42/89/1040204289.db2.gz AIRIISMITPSWAV-KRWDZBQOSA-N 0 3 344.802 3.835 20 30 EHEDHN CC(C)C[C@H](C)N(C)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433012401 1040446968 /nfs/dbraw/zinc/44/69/68/1040446968.db2.gz SHVNWSFNGDRNHV-PKOBYXMFSA-N 0 3 329.488 3.904 20 30 EHEDHN C[C@@H]1CCC[C@@H](C)N1C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433021344 1040471335 /nfs/dbraw/zinc/47/13/35/1040471335.db2.gz QOCXPLLSRUHRFT-LMMKCTJWSA-N 0 3 327.472 3.801 20 30 EHEDHN N#Cc1ccccc1-c1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC000555552926 1040805489 /nfs/dbraw/zinc/80/54/89/1040805489.db2.gz WDCCUPWJGDFQGP-UHFFFAOYSA-N 0 3 331.463 3.753 20 30 EHEDHN N#Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000045027183 1042025002 /nfs/dbraw/zinc/02/50/02/1042025002.db2.gz SUFOHSJNHCPWQB-IBGZPJMESA-N 0 3 334.423 3.517 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc3nc(C(C)C)sc3c2)CC1 ZINC000066941878 1042705667 /nfs/dbraw/zinc/70/56/67/1042705667.db2.gz PJXBDJADGVJPIV-UHFFFAOYSA-N 0 3 341.480 3.703 20 30 EHEDHN C=CCN1CCC(Nc2cc(N(CC)c3ccccc3)ncn2)CC1 ZINC000432328932 1042924677 /nfs/dbraw/zinc/92/46/77/1042924677.db2.gz YJOGBEVREPTEBV-UHFFFAOYSA-N 0 3 337.471 3.697 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccnc(OC(F)F)c1 ZINC000585765683 1043029270 /nfs/dbraw/zinc/02/92/70/1043029270.db2.gz QZOUVHRDYVQHAG-MRXNPFEDSA-N 0 3 329.350 3.722 20 30 EHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cc(F)cc2cccnc21 ZINC000344112238 1043267136 /nfs/dbraw/zinc/26/71/36/1043267136.db2.gz LCMSSOZILSZWLY-UHFFFAOYSA-N 0 3 349.409 3.894 20 30 EHEDHN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(C#N)cc1 ZINC000344309043 1043633375 /nfs/dbraw/zinc/63/33/75/1043633375.db2.gz URJVVRYZAFREAE-CJNGLKHVSA-N 0 3 339.826 3.668 20 30 EHEDHN Cc1ccc(CN(C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000279496100 1044136861 /nfs/dbraw/zinc/13/68/61/1044136861.db2.gz YPXXWYTZLOTZDR-UHFFFAOYSA-N 0 3 345.450 3.799 20 30 EHEDHN C=CCOc1ccccc1CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000344851460 1044531216 /nfs/dbraw/zinc/53/12/16/1044531216.db2.gz HPVBJIOOFOOMPJ-INIZCTEOSA-N 0 3 325.412 3.501 20 30 EHEDHN Cc1cnc([C@@H](NCCCOc2cccc(C#N)c2)C2CC2)s1 ZINC000185306939 1126860734 /nfs/dbraw/zinc/86/07/34/1126860734.db2.gz QTAWTYZLACPLKL-KRWDZBQOSA-N 0 3 327.453 3.833 20 30 EHEDHN Cc1nc(C(C)(C)NCCCOc2ccc(C#N)cc2)sc1C ZINC000072866021 1126908579 /nfs/dbraw/zinc/90/85/79/1126908579.db2.gz YZHXBDOVFHFUBI-UHFFFAOYSA-N 0 3 329.469 3.925 20 30 EHEDHN C#CCN(C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1)C1CC1 ZINC000763960423 1126987825 /nfs/dbraw/zinc/98/78/25/1126987825.db2.gz NWQZRDWPBZPGBW-XZOQPEGZSA-N 0 3 349.474 3.560 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000180286804 1127140748 /nfs/dbraw/zinc/14/07/48/1127140748.db2.gz FELNJMGJJDLELY-VQTJNVASSA-N 0 3 345.462 3.701 20 30 EHEDHN C=CCn1c(SCCN2CCCCC2)nnc1-c1ccccc1F ZINC000193422761 1127437406 /nfs/dbraw/zinc/43/74/06/1127437406.db2.gz INHDJGWGMIBVGR-UHFFFAOYSA-N 0 3 346.475 3.848 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(NC(=O)CC)c2)cc1 ZINC000765050298 1127566998 /nfs/dbraw/zinc/56/69/98/1127566998.db2.gz XASVDJXWSZIKPY-MRXNPFEDSA-N 0 3 336.435 3.898 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC001670905937 1128021999 /nfs/dbraw/zinc/02/19/99/1128021999.db2.gz XJAZHXLOOVNVOX-INIZCTEOSA-N 0 3 336.439 3.509 20 30 EHEDHN Cc1c(Cl)cccc1NC(=O)CCNCc1csc(C#N)c1 ZINC000921645703 1128413189 /nfs/dbraw/zinc/41/31/89/1128413189.db2.gz CRUDIPRILPBBQW-UHFFFAOYSA-N 0 3 333.844 3.700 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000186324749 1128390679 /nfs/dbraw/zinc/39/06/79/1128390679.db2.gz NZFWFCSFBHIBNV-UHFFFAOYSA-N 0 3 348.372 3.919 20 30 EHEDHN CN(C)[C@H](CNc1ccc(Cl)c(C#N)n1)c1ccc(Cl)cc1 ZINC000301484464 1128593276 /nfs/dbraw/zinc/59/32/76/1128593276.db2.gz VKBQZWPTVCGMQL-OAHLLOKOSA-N 0 3 335.238 3.975 20 30 EHEDHN COc1ccccc1[C@H](CNc1ccc(F)cc1C#N)N1CCCC1 ZINC000301498587 1128593545 /nfs/dbraw/zinc/59/35/45/1128593545.db2.gz CMQSHCIFEDHMAA-IBGZPJMESA-N 0 3 339.414 3.955 20 30 EHEDHN Cc1ccc(N2CCN(Cc3cccc4ccccc43)CC2)nc1C#N ZINC000302728452 1128644138 /nfs/dbraw/zinc/64/41/38/1128644138.db2.gz UEAJFYHBLOCLQL-UHFFFAOYSA-N 0 3 342.446 3.737 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000303881509 1128704733 /nfs/dbraw/zinc/70/47/33/1128704733.db2.gz QZXBPTVDIOEOAA-RYRKJORJSA-N 0 3 332.463 3.817 20 30 EHEDHN N#CCCCNCc1cc(Br)cc(Br)c1 ZINC000290228891 1120558641 /nfs/dbraw/zinc/55/86/41/1120558641.db2.gz YBOIVAPKJBPAAB-UHFFFAOYSA-N 0 3 332.039 3.605 20 30 EHEDHN C#Cc1cccc(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000174785869 1120559398 /nfs/dbraw/zinc/55/93/98/1120559398.db2.gz OVGPMOOEZRYQJH-GOSISDBHSA-N 0 3 347.462 3.796 20 30 EHEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000027208048 1120993563 /nfs/dbraw/zinc/99/35/63/1120993563.db2.gz YZHOXWPFKSBSTP-NRFANRHFSA-N 0 3 346.430 3.583 20 30 EHEDHN Cc1ccc2ncc(C#N)c(NC[C@H](c3cccs3)N(C)C)c2c1 ZINC000487889663 1121075753 /nfs/dbraw/zinc/07/57/53/1121075753.db2.gz BVEKJARCOXVAJI-QGZVFWFLSA-N 0 3 336.464 3.613 20 30 EHEDHN CCCCCCCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000915088970 1121181948 /nfs/dbraw/zinc/18/19/48/1121181948.db2.gz IHSYGDPPXSNKPR-UHFFFAOYSA-N 0 3 326.550 3.825 20 30 EHEDHN N#Cc1cccc(-c2nnc(CN[C@H](Cc3ccccc3)C3CC3)o2)c1 ZINC000347678033 1128993200 /nfs/dbraw/zinc/99/32/00/1128993200.db2.gz ROQSVYQLGSGXBA-LJQANCHMSA-N 0 3 344.418 3.719 20 30 EHEDHN C[C@@H]1CC2(CN1CC1(C#N)CCC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000496114259 1121691257 /nfs/dbraw/zinc/69/12/57/1121691257.db2.gz IPYXHIHCTKAEHZ-MRXNPFEDSA-N 0 3 347.503 3.792 20 30 EHEDHN C[C@H]1CC2(CN1CC1(C#N)CCC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000496114258 1121691421 /nfs/dbraw/zinc/69/14/21/1121691421.db2.gz IPYXHIHCTKAEHZ-INIZCTEOSA-N 0 3 347.503 3.792 20 30 EHEDHN C[C@H](CNCc1cc(C#N)ccc1Br)c1nccs1 ZINC000921994575 1129006945 /nfs/dbraw/zinc/00/69/45/1129006945.db2.gz DSESKBNQGQUXLK-SNVBAGLBSA-N 0 3 336.258 3.671 20 30 EHEDHN CCOc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccc1OC ZINC000171768776 1121759723 /nfs/dbraw/zinc/75/97/23/1121759723.db2.gz YFOKFOZIRLUALM-OAHLLOKOSA-N 0 3 340.423 3.847 20 30 EHEDHN C=CCOc1ccc(-c2nnc(SCCN3CCCCC3)o2)cc1 ZINC000126262418 1122398329 /nfs/dbraw/zinc/39/83/29/1122398329.db2.gz UPUACDZCJHPCET-UHFFFAOYSA-N 0 3 345.468 3.879 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1cccs1 ZINC000917011813 1122438737 /nfs/dbraw/zinc/43/87/37/1122438737.db2.gz YPZCDCCKASSYKL-CYBMUJFWSA-N 0 3 341.461 3.666 20 30 EHEDHN C=C[C@H](CC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000497414477 1122545461 /nfs/dbraw/zinc/54/54/61/1122545461.db2.gz DMUMIWWPVOUVEB-UIFIKXQLSA-N 0 3 334.463 3.560 20 30 EHEDHN C=CCC[C@@H](O)CN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000128556862 1122623972 /nfs/dbraw/zinc/62/39/72/1122623972.db2.gz UGBZJHCTWALOJN-QUCCMNQESA-N 0 3 329.415 3.840 20 30 EHEDHN C[C@H](c1cccc2ccccc21)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000064248540 1122850589 /nfs/dbraw/zinc/85/05/89/1122850589.db2.gz QBBXJLZAZBVPGV-QGZVFWFLSA-N 0 3 342.446 3.990 20 30 EHEDHN CN1CCN(Cc2ccc(Nc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC001212256249 1123544404 /nfs/dbraw/zinc/54/44/04/1123544404.db2.gz PEKLJDQBDPKKOQ-UHFFFAOYSA-N 0 3 346.478 3.733 20 30 EHEDHN CC(C)N(CCOc1ccccc1C#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350617 1123573521 /nfs/dbraw/zinc/57/35/21/1123573521.db2.gz ZLTZXUNRNQASNN-UHFFFAOYSA-N 0 3 339.395 3.756 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000081687377 1123875874 /nfs/dbraw/zinc/87/58/74/1123875874.db2.gz DHRHOBFAQAJBJJ-UHFFFAOYSA-N 0 3 327.255 3.764 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000139061517 1124058657 /nfs/dbraw/zinc/05/86/57/1124058657.db2.gz MSTYVSGJUJBVTJ-UHFFFAOYSA-N 0 3 333.520 3.780 20 30 EHEDHN CS[C@@H]1CCCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000247009162 1124576752 /nfs/dbraw/zinc/57/67/52/1124576752.db2.gz XIYLKLIQZYNNPA-SJLPKXTDSA-N 0 3 345.512 3.539 20 30 EHEDHN CC[C@H]1C[C@H](C)CN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000080660937 1124934526 /nfs/dbraw/zinc/93/45/26/1124934526.db2.gz DTECVSJSLDKSBY-YJBOKZPZSA-N 0 3 327.472 3.671 20 30 EHEDHN C=C[C@H](CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000252801448 1125023215 /nfs/dbraw/zinc/02/32/15/1125023215.db2.gz JOHGDZHYOGLGKA-PIPMEXSNSA-N 0 3 334.463 3.908 20 30 EHEDHN C=CCc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc(OC)c1O ZINC000618741771 1125178838 /nfs/dbraw/zinc/17/88/38/1125178838.db2.gz MMRQJPAXIOMLII-LJQANCHMSA-N 0 3 334.419 3.778 20 30 EHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000618805316 1125207887 /nfs/dbraw/zinc/20/78/87/1125207887.db2.gz GFAQXUVAXIVKDK-ZUOKHONESA-N 0 3 331.419 3.781 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182566674 1125331895 /nfs/dbraw/zinc/33/18/95/1125331895.db2.gz CCUSEKKIYUHALF-GOSISDBHSA-N 0 3 333.863 3.533 20 30 EHEDHN COc1cc(CN[C@@H](CN2CCCCC2)c2ccccc2)ccc1C#N ZINC000619652605 1125378292 /nfs/dbraw/zinc/37/82/92/1125378292.db2.gz JULDMRKZETYKRK-NRFANRHFSA-N 0 3 349.478 3.884 20 30 EHEDHN C=CC[C@H](CC)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000466367591 1129406353 /nfs/dbraw/zinc/40/63/53/1129406353.db2.gz WZNQHPCFKSPQEY-MJGOQNOKSA-N 0 3 329.488 3.647 20 30 EHEDHN CSCc1cnc(CNC(C)(C)Cc2ccc(C#N)cc2)s1 ZINC000922602650 1129593461 /nfs/dbraw/zinc/59/34/61/1129593461.db2.gz CMGMPLWFACJABQ-UHFFFAOYSA-N 0 3 331.510 3.989 20 30 EHEDHN Cc1c([C@H](C)NCC2CCC(C#N)CC2)nnn1-c1ccc(F)cc1 ZINC000282512457 1129980048 /nfs/dbraw/zinc/98/00/48/1129980048.db2.gz ZCZVGHCRZQFULN-JEYLPNPQSA-N 0 3 341.434 3.695 20 30 EHEDHN C=CCN1CCC(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000171722798 1130082706 /nfs/dbraw/zinc/08/27/06/1130082706.db2.gz DEUPDVLZTJDDSK-UHFFFAOYSA-N 0 3 346.902 3.918 20 30 EHEDHN Cc1nc(CC(C)C)sc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000727953532 1130613270 /nfs/dbraw/zinc/61/32/70/1130613270.db2.gz JIBABIQMZGHPDV-CQSZACIVSA-N 0 3 341.436 3.611 20 30 EHEDHN C=CCN1CCC(NC(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000729942772 1130656950 /nfs/dbraw/zinc/65/69/50/1130656950.db2.gz RCHORFLFYKEIBU-UHFFFAOYSA-N 0 3 344.311 3.930 20 30 EHEDHN C=CCN1CCC(NC(=S)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000729942849 1130657876 /nfs/dbraw/zinc/65/78/76/1130657876.db2.gz MBOZGBFDYTZZEX-UHFFFAOYSA-N 0 3 337.920 3.894 20 30 EHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCc3ccccc3C2)c1 ZINC000732592859 1130936324 /nfs/dbraw/zinc/93/63/24/1130936324.db2.gz CXKSOUXFFNBKKM-OXQOHEQNSA-N 0 3 346.430 3.838 20 30 EHEDHN CCOc1ccc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)c([O-])c1 ZINC000733800706 1131082884 /nfs/dbraw/zinc/08/28/84/1131082884.db2.gz FJXFUKTUJQGMIS-KRWDZBQOSA-N 0 3 340.423 3.762 20 30 EHEDHN C=C(Br)CN[C@@H]1CCc2cccc(Br)c2C1 ZINC000378865630 1131166095 /nfs/dbraw/zinc/16/60/95/1131166095.db2.gz ZUFYKDVOCFEYLB-LLVKDONJSA-N 0 3 345.078 3.805 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccco2)s1 ZINC000766257783 1131546949 /nfs/dbraw/zinc/54/69/49/1131546949.db2.gz OVYJBFBYBWNYPI-CYBMUJFWSA-N 0 3 336.372 3.969 20 30 EHEDHN C#CCOc1ccccc1CNC[C@H](OC)c1cccc(Cl)c1 ZINC000742387855 1131714011 /nfs/dbraw/zinc/71/40/11/1131714011.db2.gz KCSATOCRIYOAPG-IBGZPJMESA-N 0 3 329.827 3.829 20 30 EHEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172717451 1131819092 /nfs/dbraw/zinc/81/90/92/1131819092.db2.gz GEBZOFAPBVJUQD-SLFFLAALSA-N 0 3 347.886 3.633 20 30 EHEDHN CC(C)OC(=O)CC[C@H](C)N1CCC(Oc2ccccc2C#N)CC1 ZINC001172773078 1131843298 /nfs/dbraw/zinc/84/32/98/1131843298.db2.gz LLWRFARMXNZFFB-INIZCTEOSA-N 0 3 344.455 3.522 20 30 EHEDHN C=CCN1CCC[C@@H](N[C@@H](C)CSc2ccc(Cl)cc2)C1=O ZINC001172877502 1131895394 /nfs/dbraw/zinc/89/53/94/1131895394.db2.gz FKKSWNHKXWPXFD-XJKSGUPXSA-N 0 3 338.904 3.587 20 30 EHEDHN C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1ccc(F)cc1 ZINC001172968351 1131919971 /nfs/dbraw/zinc/91/99/71/1131919971.db2.gz QHXPBSLTRHVIHZ-XKQJLSEDSA-N 0 3 347.434 3.768 20 30 EHEDHN C=CCOC1CCC(N2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC001173327279 1132048392 /nfs/dbraw/zinc/04/83/92/1132048392.db2.gz LMJPPYGHUZILEI-UHFFFAOYSA-N 0 3 336.426 3.601 20 30 EHEDHN C[C@H](CCc1ccc(Cl)c(Cl)c1)N1CCN(CCC#N)CC1 ZINC001173553334 1132089546 /nfs/dbraw/zinc/08/95/46/1132089546.db2.gz GXBVKRKHWNTPLR-CQSZACIVSA-N 0 3 340.298 3.846 20 30 EHEDHN COc1ccc(-c2nc(CNC3CCC(C)(C#N)CC3)co2)cc1 ZINC001173591098 1132096513 /nfs/dbraw/zinc/09/65/13/1132096513.db2.gz SGVSJCHOKWIAQN-UHFFFAOYSA-N 0 3 325.412 3.912 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2C1CCC(C)(C#N)CC1 ZINC001173593697 1132097775 /nfs/dbraw/zinc/09/77/75/1132097775.db2.gz LZDRTOKOALGVHB-BWRBCVJASA-N 0 3 333.476 3.543 20 30 EHEDHN C#C[C@@H](NCc1cc(Br)c(OCC)c(OC)c1)C(C)C ZINC000379679952 1132306304 /nfs/dbraw/zinc/30/63/04/1132306304.db2.gz ZEDQSHIMARBZJP-CQSZACIVSA-N 0 3 340.261 3.604 20 30 EHEDHN COC(=O)c1ccc(NC2=CCN(Cc3ccccc3)CC2)c(C#N)c1 ZINC001175507616 1132695244 /nfs/dbraw/zinc/69/52/44/1132695244.db2.gz UKWRYJPIUFTBNB-UHFFFAOYSA-N 0 3 347.418 3.547 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(-c3nc(C)no3)cc2)cc1 ZINC001178436733 1133163826 /nfs/dbraw/zinc/16/38/26/1133163826.db2.gz RDTMCGBVPMVAJP-UHFFFAOYSA-N 0 3 347.418 3.737 20 30 EHEDHN C#CCCOc1ccc(CN(C)CCOc2ccccc2OC)cc1 ZINC000768823934 1133188686 /nfs/dbraw/zinc/18/86/86/1133188686.db2.gz RZAMSSUHBXLVNF-UHFFFAOYSA-N 0 3 339.435 3.608 20 30 EHEDHN CCCN(Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769328457 1133262607 /nfs/dbraw/zinc/26/26/07/1133262607.db2.gz IGVDHSHTKNLEAV-AWEZNQCLSA-N 0 3 349.500 3.841 20 30 EHEDHN CCCCN(CC)[C@@H](C(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC001182233543 1133595497 /nfs/dbraw/zinc/59/54/97/1133595497.db2.gz HSUFEEUVSFRZDZ-LJQANCHMSA-N 0 3 340.471 3.506 20 30 EHEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000772347288 1133677221 /nfs/dbraw/zinc/67/72/21/1133677221.db2.gz QGCJKAKIKQHRDC-MJBXVCDLSA-N 0 3 327.453 3.735 20 30 EHEDHN C#CC(C)(C)C(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC001182638117 1133708744 /nfs/dbraw/zinc/70/87/44/1133708744.db2.gz IZIXDJZDHYZVSD-GOSISDBHSA-N 0 3 332.447 3.862 20 30 EHEDHN C[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1 ZINC001182799435 1133729975 /nfs/dbraw/zinc/72/99/75/1133729975.db2.gz NLBQDZTZPQYNGT-UWJYYQICSA-N 0 3 347.462 3.615 20 30 EHEDHN N#C[C@H](OC(=O)c1cccc(CN2CCCC2)c1)C1CCCCC1 ZINC000785720781 1133741518 /nfs/dbraw/zinc/74/15/18/1133741518.db2.gz MSVLVCALYRULCO-IBGZPJMESA-N 0 3 326.440 3.912 20 30 EHEDHN N#Cc1c2ccccc2sc1NC(=O)C(C#N)Cc1ccc(O)cc1 ZINC001183606121 1133825668 /nfs/dbraw/zinc/82/56/68/1133825668.db2.gz XDLQBSQDAUQKTE-CYBMUJFWSA-N 0 3 347.399 3.800 20 30 EHEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H](F)c1ccccc1)c1ccccc1 ZINC000787041700 1133943078 /nfs/dbraw/zinc/94/30/78/1133943078.db2.gz QNQBFJGJBOMUBV-OKZBNKHCSA-N 0 3 338.382 3.674 20 30 EHEDHN C=C(Br)CN[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000796651846 1133943163 /nfs/dbraw/zinc/94/31/63/1133943163.db2.gz BYNWIPSVANAUNK-WCFLWFBJSA-N 0 3 347.297 3.519 20 30 EHEDHN CC(C)[C@H]1CC[C@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)CC1 ZINC000787065315 1133945301 /nfs/dbraw/zinc/94/53/01/1133945301.db2.gz GLZWMLHWVTXFLO-FHWLQOOXSA-N 0 3 340.467 3.816 20 30 EHEDHN CC(C)[C@H]1CC[C@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)CC1 ZINC000787065316 1133945345 /nfs/dbraw/zinc/94/53/45/1133945345.db2.gz GLZWMLHWVTXFLO-GUDVDZBRSA-N 0 3 340.467 3.816 20 30 EHEDHN C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C(C)(C)C1 ZINC000746678378 1133996414 /nfs/dbraw/zinc/99/64/14/1133996414.db2.gz RCDFFOBEOXHMEC-CHWSQXEVSA-N 0 3 327.453 3.593 20 30 EHEDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1C#N ZINC000774819953 1134031637 /nfs/dbraw/zinc/03/16/37/1134031637.db2.gz GCHSZUSAIARQPK-HXUWFJFHSA-N 0 3 336.435 3.754 20 30 EHEDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1C#N ZINC000774819953 1134031643 /nfs/dbraw/zinc/03/16/43/1134031643.db2.gz GCHSZUSAIARQPK-HXUWFJFHSA-N 0 3 336.435 3.754 20 30 EHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](COC)[C@H]2CCCO2)cc1 ZINC000788620036 1134152486 /nfs/dbraw/zinc/15/24/86/1134152486.db2.gz UJFOHZRZJMVEKT-BMGDILEWSA-N 0 3 339.863 3.663 20 30 EHEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCCCC1(C)C ZINC000789492865 1134283327 /nfs/dbraw/zinc/28/33/27/1134283327.db2.gz WWZHEOBSIUXHLH-IAGOWNOFSA-N 0 3 326.440 3.570 20 30 EHEDHN CC(C)[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)N(C)C ZINC000789801178 1134335735 /nfs/dbraw/zinc/33/57/35/1134335735.db2.gz OJPLFYPJIXBFSG-BXUZGUMPSA-N 0 3 335.860 3.712 20 30 EHEDHN CCCCCCCCS(=O)(=O)Nc1ccccc1CN(C)C ZINC001188018011 1134416919 /nfs/dbraw/zinc/41/69/19/1134416919.db2.gz PMQXRBSGLKILGA-UHFFFAOYSA-N 0 3 326.506 3.850 20 30 EHEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000792277890 1134676365 /nfs/dbraw/zinc/67/63/65/1134676365.db2.gz VNDIDHADRMICSG-MRXNPFEDSA-N 0 3 333.435 3.673 20 30 EHEDHN C#CC[C@H](NC[C@@H](O)COc1cccc2ccccc21)c1ccccc1 ZINC000775401419 1134729587 /nfs/dbraw/zinc/72/95/87/1134729587.db2.gz UCZINFBMTBGPLI-IRLDBZIGSA-N 0 3 345.442 3.934 20 30 EHEDHN C=CCN(CC1CCCCC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001190985925 1134775138 /nfs/dbraw/zinc/77/51/38/1134775138.db2.gz VARQZZYIUUIWGB-IBGZPJMESA-N 0 3 330.447 3.999 20 30 EHEDHN C[C@@]12CCN(CCCOc3cccc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000792896601 1134815691 /nfs/dbraw/zinc/81/56/91/1134815691.db2.gz ALABWKPBVYOHSV-JKSUJKDBSA-N 0 3 339.266 3.843 20 30 EHEDHN C[C@@]12CCN(CCCOc3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl ZINC000792912125 1134823097 /nfs/dbraw/zinc/82/30/97/1134823097.db2.gz YFTDZWPHCSDQJC-JKSUJKDBSA-N 0 3 339.266 3.843 20 30 EHEDHN C[C@H](NCC(=O)NCCC#N)c1ccccc1-c1ccc(Cl)cc1 ZINC000775455854 1134872568 /nfs/dbraw/zinc/87/25/68/1134872568.db2.gz UDYJDNNESVELAY-AWEZNQCLSA-N 0 3 341.842 3.687 20 30 EHEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN(C)Cc1cccc(C)c1C ZINC000793568072 1134958563 /nfs/dbraw/zinc/95/85/63/1134958563.db2.gz FWBKHFKNNYVCDJ-UHFFFAOYSA-N 0 3 345.450 3.832 20 30 EHEDHN Cc1ccc(CN2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)cc1C#N ZINC001195287635 1135407068 /nfs/dbraw/zinc/40/70/68/1135407068.db2.gz CTDRDRLXTOCFPV-DOTOQJQBSA-N 0 3 328.456 3.809 20 30 EHEDHN C#CCN(C(=O)NC[C@H](N[C@H](C)CC)c1ccco1)C1CCCCC1 ZINC000807445119 1135548162 /nfs/dbraw/zinc/54/81/62/1135548162.db2.gz OSLJNGGYAZTJFS-AEFFLSMTSA-N 0 3 345.487 3.686 20 30 EHEDHN C[C@H]1CCCC[C@@H]1OCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC001196418764 1135560886 /nfs/dbraw/zinc/56/08/86/1135560886.db2.gz GKSLIEIGYVYQHL-JXFKEZNVSA-N 0 3 327.472 3.728 20 30 EHEDHN C#Cc1ccc(NC(=O)CCN2CCc3cc(F)ccc3[C@@H]2C)cc1 ZINC001197495926 1135700698 /nfs/dbraw/zinc/70/06/98/1135700698.db2.gz IMXMOXXXIPJNFX-HNNXBMFYSA-N 0 3 336.410 3.755 20 30 EHEDHN CC(C)c1ccc(NC(=S)N2CCC3SC(=O)C=C3C2)cc1 ZINC001198601745 1135836371 /nfs/dbraw/zinc/83/63/71/1135836371.db2.gz KIPFUFOGFYWZIG-OAHLLOKOSA-N 0 3 332.494 3.781 20 30 EHEDHN C#Cc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1 ZINC000809594837 1135859982 /nfs/dbraw/zinc/85/99/82/1135859982.db2.gz BEORHIPBJVFQHT-YJBOKZPZSA-N 0 3 328.456 3.546 20 30 EHEDHN C#C[C@@H](C)NCc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000809682932 1135871449 /nfs/dbraw/zinc/87/14/49/1135871449.db2.gz IUTLRZXAIKUFTJ-QGZVFWFLSA-N 0 3 345.446 3.718 20 30 EHEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN(CCC#N)CC2CC2)CC1 ZINC000809952053 1135905875 /nfs/dbraw/zinc/90/58/75/1135905875.db2.gz OEIUYVZEKZVHRW-QAQDUYKDSA-N 0 3 349.519 3.943 20 30 EHEDHN CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000810437855 1135964565 /nfs/dbraw/zinc/96/45/65/1135964565.db2.gz JQRDDWGZEAXHBC-MGPUTAFESA-N 0 3 345.462 3.680 20 30 EHEDHN CCCCCCCN1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001201762328 1136060486 /nfs/dbraw/zinc/06/04/86/1136060486.db2.gz GKWLKVLLWMVRPH-SLFFLAALSA-N 0 3 332.488 3.800 20 30 EHEDHN C[C@H]1C(N=Nc2ncnc3ccsc32)CCN1Cc1ccccc1 ZINC000811645689 1136116529 /nfs/dbraw/zinc/11/65/29/1136116529.db2.gz WBBNWTGTGPGFIG-ZDUSSCGKSA-N 0 3 337.452 3.754 20 30 EHEDHN C=CC[C@@H](NCc1ccc(O[C@@H](C)COC)cc1)c1ccncc1 ZINC000850136664 1136213405 /nfs/dbraw/zinc/21/34/05/1136213405.db2.gz CDBFHUAPIWZDON-OXJNMPFZSA-N 0 3 326.440 3.902 20 30 EHEDHN C#C[C@H](NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC000812793320 1136251738 /nfs/dbraw/zinc/25/17/38/1136251738.db2.gz UAVDEHLIPYAJKX-FXAWDEMLSA-N 0 3 346.446 3.737 20 30 EHEDHN C#Cc1ccc(CNCc2cccc(COC[C@H]3CCCO3)c2)cc1 ZINC000850416855 1136254867 /nfs/dbraw/zinc/25/48/67/1136254867.db2.gz QUZAITXVLMDSNT-JOCHJYFZSA-N 0 3 335.447 3.653 20 30 EHEDHN COc1ccc([C@@H]2C[C@H]2CC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000850759256 1136301190 /nfs/dbraw/zinc/30/11/90/1136301190.db2.gz HFNRWWHDNHZZSA-SNRMKQJTSA-N 0 3 348.402 3.536 20 30 EHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000850758820 1136301442 /nfs/dbraw/zinc/30/14/42/1136301442.db2.gz DZJHWVMDVKCTLX-HOJAQTOUSA-N 0 3 346.430 3.993 20 30 EHEDHN C=CCCCCCCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850764928 1136302076 /nfs/dbraw/zinc/30/20/76/1136302076.db2.gz RQAGXIYETXYSDP-LJQANCHMSA-N 0 3 345.487 3.996 20 30 EHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000814660035 1136487127 /nfs/dbraw/zinc/48/71/27/1136487127.db2.gz QISLMEMKOKLNDG-INIZCTEOSA-N 0 3 349.434 3.950 20 30 EHEDHN C[C@@H](NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000776746910 1136624330 /nfs/dbraw/zinc/62/43/30/1136624330.db2.gz TZFZZELOGZSVAC-QLJPJBMISA-N 0 3 336.769 3.874 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000776797584 1136672862 /nfs/dbraw/zinc/67/28/62/1136672862.db2.gz IOMYCEUTESAPKJ-QAPCUYQASA-N 0 3 343.471 3.602 20 30 EHEDHN Cc1cc(F)c(CNC2CCN(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC000818183915 1136869067 /nfs/dbraw/zinc/86/90/67/1136869067.db2.gz CEVOYBPGGKYANS-UHFFFAOYSA-N 0 3 341.405 3.904 20 30 EHEDHN CC1(C)C[C@@H](NC[C@H](O)c2ccc(C#N)cc2)c2ccc(F)cc2O1 ZINC000819174203 1136919812 /nfs/dbraw/zinc/91/98/12/1136919812.db2.gz RHKBWAQAJQOXDF-MSOLQXFVSA-N 0 3 340.398 3.623 20 30 EHEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860469265 1137061631 /nfs/dbraw/zinc/06/16/31/1137061631.db2.gz YGEVBGPVGOHSIG-AQNXPRMDSA-N 0 3 346.430 3.596 20 30 EHEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000824690586 1137148428 /nfs/dbraw/zinc/14/84/28/1137148428.db2.gz HIGQTZDDXRJAAZ-LIRRHRJNSA-N 0 3 344.842 3.796 20 30 EHEDHN CCOc1c(Cl)ccc(CN2CCC3SC(=O)C=C3C2)c1F ZINC001143825173 1137202224 /nfs/dbraw/zinc/20/22/24/1137202224.db2.gz FSWBKAVBCZFKQW-ZDUSSCGKSA-N 0 3 341.835 3.652 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000844370638 1137213355 /nfs/dbraw/zinc/21/33/55/1137213355.db2.gz IIGAGWVWIFLPIW-IBGZPJMESA-N 0 3 326.827 3.695 20 30 EHEDHN C=CC[C@H](C)C(=O)N(C)C[C@H]1CCCCN1Cc1ccc(OC)cc1 ZINC001144017798 1137229206 /nfs/dbraw/zinc/22/92/06/1137229206.db2.gz NCPNAPBVAUXMCA-PKOBYXMFSA-N 0 3 344.499 3.720 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)CCC(=O)OC(C)C)c([O-])c1 ZINC000794832741 1137273234 /nfs/dbraw/zinc/27/32/34/1137273234.db2.gz KONAQOSTZILXBC-NPRIEWAGSA-N 0 3 334.460 3.778 20 30 EHEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845442071 1137292175 /nfs/dbraw/zinc/29/21/75/1137292175.db2.gz KEFIDWQFQFIRIR-KSZLIROESA-N 0 3 332.403 3.923 20 30 EHEDHN C=CC(=O)Oc1ccc(NC(=N)c2ccc3cc(O)ccc3c2)cc1 ZINC001171185347 1137295588 /nfs/dbraw/zinc/29/55/88/1137295588.db2.gz HQUNEBXPCMIUKO-UHFFFAOYSA-N 0 3 332.359 3.674 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N[C@@H]1CCOc2cc(F)cc(F)c21 ZINC001171191826 1137298530 /nfs/dbraw/zinc/29/85/30/1137298530.db2.gz GICCIASQRWLADM-SJKOYZFVSA-N 0 3 328.362 3.881 20 30 EHEDHN C#Cc1ccc(CN(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001144581312 1137310636 /nfs/dbraw/zinc/31/06/36/1137310636.db2.gz PIKFSOBAJYVVJO-LJQANCHMSA-N 0 3 340.467 3.642 20 30 EHEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H](CO)c1cccc(Cl)c1F ZINC001171201885 1137318455 /nfs/dbraw/zinc/31/84/55/1137318455.db2.gz SGCCFYFTLHLMCK-SJKOYZFVSA-N 0 3 332.806 3.605 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)COC2(C)CCC2)cc1 ZINC000772970111 1137387277 /nfs/dbraw/zinc/38/72/77/1137387277.db2.gz AJGRUQBXCFUCLP-WMLDXEAASA-N 0 3 342.439 3.807 20 30 EHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000339095636 1137469785 /nfs/dbraw/zinc/46/97/85/1137469785.db2.gz DKYVDGYNBNMEMD-HNAYVOBHSA-N 0 3 334.423 3.515 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001172310943 1137546003 /nfs/dbraw/zinc/54/60/03/1137546003.db2.gz MCWWQNIAMPSFIR-DYVFJYSZSA-N 0 3 340.389 3.515 20 30 EHEDHN CCCCCCC[C@@H](CC)N1CCN(C(=O)c2ccncc2)CC1 ZINC001172357038 1137554311 /nfs/dbraw/zinc/55/43/11/1137554311.db2.gz AQGFAAVBTVMORG-LJQANCHMSA-N 0 3 331.504 3.979 20 30 EHEDHN C#CCOc1ccc(CN2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000124604736 1137605833 /nfs/dbraw/zinc/60/58/33/1137605833.db2.gz TVGLWSJPXHZFAN-JOCHJYFZSA-N 0 3 335.447 3.644 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000876561241 1137655554 /nfs/dbraw/zinc/65/55/54/1137655554.db2.gz OEIIHCWRCIPKRA-CQSZACIVSA-N 0 3 340.901 3.808 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000876589941 1137656367 /nfs/dbraw/zinc/65/63/67/1137656367.db2.gz QXXPRMBXBYYKPT-TVQRCGJNSA-N 0 3 335.662 3.983 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000876597317 1137656645 /nfs/dbraw/zinc/65/66/45/1137656645.db2.gz RNEFVSJGIOHPRP-NHYWBVRUSA-N 0 3 349.887 3.766 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000876601246 1137656749 /nfs/dbraw/zinc/65/67/49/1137656749.db2.gz ZCDAIHNAABMDII-MRXNPFEDSA-N 0 3 342.817 3.706 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000876875753 1137664489 /nfs/dbraw/zinc/66/44/89/1137664489.db2.gz ZEIWEHMLCDLXHQ-ZANVPECISA-N 0 3 335.662 3.983 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000876896615 1137664879 /nfs/dbraw/zinc/66/48/79/1137664879.db2.gz JFDZOSOQAQWFSE-CYBMUJFWSA-N 0 3 348.796 3.569 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000876899815 1137664921 /nfs/dbraw/zinc/66/49/21/1137664921.db2.gz REFUASCILNXVLS-ZDUSSCGKSA-N 0 3 343.254 3.927 20 30 EHEDHN CC(C)[C@H](CNCc1cc(C#N)cnc1Cl)Nc1ccccc1 ZINC000876914893 1137665186 /nfs/dbraw/zinc/66/51/86/1137665186.db2.gz ILWMKUPTJAPFAL-KRWDZBQOSA-N 0 3 328.847 3.833 20 30 EHEDHN Cc1ccccc1OC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC001137114451 1137665359 /nfs/dbraw/zinc/66/53/59/1137665359.db2.gz KFGYLXQCNFRZKG-UHFFFAOYSA-N 0 3 336.435 3.941 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000876941310 1137665890 /nfs/dbraw/zinc/66/58/90/1137665890.db2.gz KBAKPVWJTVJVKF-GFCCVEGCSA-N 0 3 345.668 3.981 20 30 EHEDHN N#Cc1cnc(Cl)c(CNCCCc2nc3c(s2)CCCC3)c1 ZINC000877002949 1137667477 /nfs/dbraw/zinc/66/74/77/1137667477.db2.gz HDNFJGAFTGULSU-UHFFFAOYSA-N 0 3 346.887 3.664 20 30 EHEDHN C=CC[C@@H](CC)NCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877497493 1137678533 /nfs/dbraw/zinc/67/85/33/1137678533.db2.gz REECXWADUJNBPR-CYBMUJFWSA-N 0 3 337.464 3.879 20 30 EHEDHN N#CC1(c2ccc(CN3Cc4cccnc4N4CCC[C@H]4C3)cc2)CC1 ZINC000877764191 1137688752 /nfs/dbraw/zinc/68/87/52/1137688752.db2.gz WRMCGEPQSMVDHB-FQEVSTJZSA-N 0 3 344.462 3.621 20 30 EHEDHN CCCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)C[C@H]1CCCCO1 ZINC000878238829 1137708180 /nfs/dbraw/zinc/70/81/80/1137708180.db2.gz FKILOFVZDKBESV-NHCUHLMSSA-N 0 3 342.483 3.708 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCSC)cc1 ZINC000131039209 1137845362 /nfs/dbraw/zinc/84/53/62/1137845362.db2.gz KGCDITUTMYZMQA-BBRMVZONSA-N 0 3 332.469 3.991 20 30 EHEDHN COc1ccc(CN[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1C#N ZINC000282839679 1137872364 /nfs/dbraw/zinc/87/23/64/1137872364.db2.gz OSWMTIBZVNSYKI-SFHVURJKSA-N 0 3 343.858 3.613 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000106039745 1137882532 /nfs/dbraw/zinc/88/25/32/1137882532.db2.gz HLBYMTUQKSLFJL-UHFFFAOYSA-N 0 3 327.255 3.764 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CCC)Cc2ccccc2)CC1 ZINC000106275929 1137883178 /nfs/dbraw/zinc/88/31/78/1137883178.db2.gz PDBGCBLLVIGAFG-UHFFFAOYSA-N 0 3 329.488 3.649 20 30 EHEDHN Cc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2ccccc2C#N)s1 ZINC000106875021 1137884745 /nfs/dbraw/zinc/88/47/45/1137884745.db2.gz ACGYQRYCCGMEQY-ZDUSSCGKSA-N 0 3 342.468 3.653 20 30 EHEDHN COc1cc(N2CCN(CCCCC(C)(C)C#N)CC2)ccc1F ZINC000282863187 1137886932 /nfs/dbraw/zinc/88/69/32/1137886932.db2.gz TZFRVMFMBFLGRS-UHFFFAOYSA-N 0 3 333.451 3.676 20 30 EHEDHN Cn1cc(CCN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000348277534 1137892182 /nfs/dbraw/zinc/89/21/82/1137892182.db2.gz RJEPGYZWIBONEW-UHFFFAOYSA-N 0 3 348.425 3.676 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(N(CC)CC)nc2)cc1 ZINC000113325263 1137912765 /nfs/dbraw/zinc/91/27/65/1137912765.db2.gz MHFFPMJDSGXXFE-UHFFFAOYSA-N 0 3 337.467 3.620 20 30 EHEDHN CC(C)c1cc(Cl)ccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884435161 1137959739 /nfs/dbraw/zinc/95/97/39/1137959739.db2.gz MQQMHAOBVXKGTE-XYEKJYRLSA-N 0 3 331.847 3.541 20 30 EHEDHN N#Cc1cc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)ccc1F ZINC000134807725 1137960921 /nfs/dbraw/zinc/96/09/21/1137960921.db2.gz YWSDAUXDVWXQGV-ICSRJNTNSA-N 0 3 342.389 3.925 20 30 EHEDHN Cc1ccn(-c2ccccc2CNCc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000136401553 1138028999 /nfs/dbraw/zinc/02/89/99/1138028999.db2.gz BUNFYIHFNXNNNQ-KRWDZBQOSA-N 0 3 346.434 3.761 20 30 EHEDHN CC(C)(CCC#N)CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000092704499 1138230617 /nfs/dbraw/zinc/23/06/17/1138230617.db2.gz ZJJVUXRJURAHDF-UHFFFAOYSA-N 0 3 347.466 3.558 20 30 EHEDHN CSc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000337214487 1138497248 /nfs/dbraw/zinc/49/72/48/1138497248.db2.gz FDSOKAXRRXDLLZ-KBPBESRZSA-N 0 3 339.464 3.958 20 30 EHEDHN CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCCN(C)C1 ZINC000153618785 1139144741 /nfs/dbraw/zinc/14/47/41/1139144741.db2.gz PRNYVVTUEPMJJO-GOSISDBHSA-N 0 3 349.434 3.517 20 30 EHEDHN C[C@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000173988439 1139391508 /nfs/dbraw/zinc/39/15/08/1139391508.db2.gz BNDRDJIYBINMIF-INIZCTEOSA-N 0 3 333.435 3.926 20 30 EHEDHN CN(Cc1ccco1)Cc1ccccc1CNCc1ccc(C#N)o1 ZINC000174451280 1139420943 /nfs/dbraw/zinc/42/09/43/1139420943.db2.gz GTSOCGHMSQLQEV-UHFFFAOYSA-N 0 3 335.407 3.666 20 30 EHEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000174621764 1139431949 /nfs/dbraw/zinc/43/19/49/1139431949.db2.gz WJPDQIJZKOTAKH-ZDUSSCGKSA-N 0 3 347.365 3.511 20 30 EHEDHN C=CCN1CCC(NC(=O)c2c(C)[nH]c3ccc(Cl)cc32)CC1 ZINC000178540994 1139701993 /nfs/dbraw/zinc/70/19/93/1139701993.db2.gz CJDBZCSDLYZYKG-UHFFFAOYSA-N 0 3 331.847 3.510 20 30 EHEDHN C=CCN1CCC(NC(=O)Cc2csc3ccc(Cl)cc23)CC1 ZINC000178541237 1139702274 /nfs/dbraw/zinc/70/22/74/1139702274.db2.gz OTHLOUZTWSYZFA-UHFFFAOYSA-N 0 3 348.899 3.864 20 30 EHEDHN Fc1ccc(C#CCNC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000178852348 1139721979 /nfs/dbraw/zinc/72/19/79/1139721979.db2.gz WUMSIGLYMLNSPJ-UHFFFAOYSA-N 0 3 327.374 3.612 20 30 EHEDHN CC(C)[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)cc1F ZINC000180266418 1139822396 /nfs/dbraw/zinc/82/23/96/1139822396.db2.gz FWAOYZVWINZILP-QGZVFWFLSA-N 0 3 339.842 3.528 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(CCC)CCc2cccs2)CC1 ZINC000184114086 1140080616 /nfs/dbraw/zinc/08/06/16/1140080616.db2.gz IDIMSIRHAZKKTP-UHFFFAOYSA-N 0 3 349.544 3.753 20 30 EHEDHN CC1(C)OCc2cc(CNCc3ccc(OCC#N)cc3)ccc2O1 ZINC000187345571 1140251265 /nfs/dbraw/zinc/25/12/65/1140251265.db2.gz BQCQDWDEDSBHOQ-UHFFFAOYSA-N 0 3 338.407 3.524 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000266957647 1140743170 /nfs/dbraw/zinc/74/31/70/1140743170.db2.gz SVYVTWPKKHJPHK-GFCCVEGCSA-N 0 3 341.282 3.864 20 30 EHEDHN CC(C)(C)N(CCCSCC#N)CC(=O)Nc1ccc(F)cc1 ZINC000269248621 1141084618 /nfs/dbraw/zinc/08/46/18/1141084618.db2.gz AKMMHFJTKDCDMN-UHFFFAOYSA-N 0 3 337.464 3.512 20 30 EHEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000271528997 1141388898 /nfs/dbraw/zinc/38/88/98/1141388898.db2.gz QQEFJWUZVWMSQK-KRWDZBQOSA-N 0 3 340.423 3.825 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1c1cccs1 ZINC000021473221 212226410 /nfs/dbraw/zinc/22/64/10/212226410.db2.gz HMYOFPMSIWZJQG-ZDUSSCGKSA-N 0 3 331.466 3.847 20 30 EHEDHN CN(Cc1ccccn1)[C@H]1CCCN(c2cccc(F)c2C#N)CC1 ZINC000275883875 564010254 /nfs/dbraw/zinc/01/02/54/564010254.db2.gz YVQSAOFYJYXNRR-KRWDZBQOSA-N 0 3 338.430 3.583 20 30 EHEDHN C=CCC[C@@H]([NH2+]Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000819734069 607390227 /nfs/dbraw/zinc/39/02/27/607390227.db2.gz HMNRHZGYSQSHRS-MRXNPFEDSA-N 0 3 325.441 3.725 20 30 EHEDHN C=CCC[C@@H]([NH2+]Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000819734069 607390229 /nfs/dbraw/zinc/39/02/29/607390229.db2.gz HMNRHZGYSQSHRS-MRXNPFEDSA-N 0 3 325.441 3.725 20 30 EHEDHN CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(C#N)c1[O-] ZINC000925218037 1032078064 /nfs/dbraw/zinc/07/80/64/1032078064.db2.gz TWBAAJHMHGXIKM-LJQANCHMSA-N 0 3 327.472 3.712 20 30 EHEDHN C=CCN1CCC(NC(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC000654747992 1014341593 /nfs/dbraw/zinc/34/15/93/1014341593.db2.gz RSNLAWIERRNLOA-UHFFFAOYSA-N 0 3 341.282 3.693 20 30 EHEDHN C=CCc1cc(CN(C)Cc2ccc(OC)c(F)c2)c(O)c(OC)c1 ZINC000120510786 1015351928 /nfs/dbraw/zinc/35/19/28/1015351928.db2.gz HQBIUKYFZULZQL-UHFFFAOYSA-N 0 3 345.414 3.909 20 30 EHEDHN C#Cc1cccc(N(C)C(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000074565735 1016261891 /nfs/dbraw/zinc/26/18/91/1016261891.db2.gz XAMCVRYRAZFGET-UHFFFAOYSA-N 0 3 332.403 3.752 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1c[nH]c2ccccc12 ZINC000122252040 1016812694 /nfs/dbraw/zinc/81/26/94/1016812694.db2.gz DJTXZECYNBLHDF-INIZCTEOSA-N 0 3 342.402 3.864 20 30 EHEDHN CCO[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1SC ZINC000459487143 1032179824 /nfs/dbraw/zinc/17/98/24/1032179824.db2.gz VPBFFODHGVBBOU-XHSDSOJGSA-N 0 3 343.414 3.556 20 30 EHEDHN CN1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000538377232 1032327668 /nfs/dbraw/zinc/32/76/68/1032327668.db2.gz IOHZZYCCCDCCDS-OAQYLSRUSA-N 0 3 333.479 3.976 20 30 EHEDHN C=CC[C@H]1N(C(=O)Nc2ccc3c(c2)OCCNC3)CCCC1(C)C ZINC000528711394 1032648220 /nfs/dbraw/zinc/64/82/20/1032648220.db2.gz ZWXLYWGTJRTRKX-GOSISDBHSA-N 0 3 343.471 3.767 20 30 EHEDHN CC(C)C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000123775757 1018479038 /nfs/dbraw/zinc/47/90/38/1018479038.db2.gz YAVHGUDHEONFKT-SFHVURJKSA-N 0 3 327.472 3.706 20 30 EHEDHN N#CC1(COC(=O)C2(C3CC3)CC2)CCN(Cc2ccccc2)CC1 ZINC000893115704 1018543658 /nfs/dbraw/zinc/54/36/58/1018543658.db2.gz PSPDOVMPPWSQHG-UHFFFAOYSA-N 0 3 338.451 3.526 20 30 EHEDHN C[C@@H]1c2ccc(F)cc2CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000610391594 1018710735 /nfs/dbraw/zinc/71/07/35/1018710735.db2.gz HUPNUWIZOSFINE-CQSZACIVSA-N 0 3 337.398 3.645 20 30 EHEDHN Cc1cc(C)cc(OCCN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000058580559 1018742845 /nfs/dbraw/zinc/74/28/45/1018742845.db2.gz IIOOZKXNXKZVPN-UHFFFAOYSA-N 0 3 349.478 3.766 20 30 EHEDHN C[C@@H](N[C@@H]1CC(C)(C)CCc2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000580517174 1019537738 /nfs/dbraw/zinc/53/77/38/1019537738.db2.gz PEINPFLNYHADMT-CRAIPNDOSA-N 0 3 339.483 3.631 20 30 EHEDHN N#Cc1ccc(CN2CCC(Nc3ccc4n[nH]cc4c3)CC2)cc1 ZINC000182923728 1019800190 /nfs/dbraw/zinc/80/01/90/1019800190.db2.gz SOSLEBYXTXMKCJ-UHFFFAOYSA-N 0 3 331.423 3.511 20 30 EHEDHN CCc1ccc([C@@H](NCC(=O)NCc2cccc(C#N)c2)C(C)C)cc1 ZINC000513591667 1019857391 /nfs/dbraw/zinc/85/73/91/1019857391.db2.gz IKHYZOMOMSKVRI-QFIPXVFZSA-N 0 3 349.478 3.724 20 30 EHEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000610475825 1020407942 /nfs/dbraw/zinc/40/79/42/1020407942.db2.gz YVKPGIHUDVPWLN-QGZVFWFLSA-N 0 3 348.450 3.687 20 30 EHEDHN C[C@@H](NCc1cnc2c(C#N)cnn2c1)c1cccc2ccccc21 ZINC000581323646 1020690301 /nfs/dbraw/zinc/69/03/01/1020690301.db2.gz RSIKLYZTRQSAQD-CQSZACIVSA-N 0 3 327.391 3.605 20 30 EHEDHN C#CCC1(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000933300249 1021064161 /nfs/dbraw/zinc/06/41/61/1021064161.db2.gz VUXIVZQKMXKICI-UHFFFAOYSA-N 0 3 344.764 3.833 20 30 EHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CCC1 ZINC000933300335 1021064770 /nfs/dbraw/zinc/06/47/70/1021064770.db2.gz YMDGCWUKXGVIQR-NSHDSACASA-N 0 3 325.239 3.856 20 30 EHEDHN CC[C@H](C)N[C@H](CNc1c(C#N)nnc2ccccc21)c1ccco1 ZINC000581599383 1021132508 /nfs/dbraw/zinc/13/25/08/1021132508.db2.gz DEMZQVAJYCVDGU-SUMWQHHRSA-N 0 3 335.411 3.636 20 30 EHEDHN C[C@H](N[C@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000426285224 1021166677 /nfs/dbraw/zinc/16/66/77/1021166677.db2.gz ADTGSFCTKWBSMZ-ZFWWWQNUSA-N 0 3 327.378 3.766 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000518513894 1021263757 /nfs/dbraw/zinc/26/37/57/1021263757.db2.gz XUOPPYOVUZHSLR-UHFFFAOYSA-N 0 3 341.377 3.867 20 30 EHEDHN CN(CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000894857732 1021473573 /nfs/dbraw/zinc/47/35/73/1021473573.db2.gz NXCQWZSITFBDAC-MQVJKMGUSA-N 0 3 335.492 3.646 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000439504182 1021511072 /nfs/dbraw/zinc/51/10/72/1021511072.db2.gz UITSRAFNSIIOEC-QGZVFWFLSA-N 0 3 347.528 3.754 20 30 EHEDHN COc1ccc(CN2CCC[C@H](OC(C)C)C2)cc1OCCCC#N ZINC000593661979 1033000883 /nfs/dbraw/zinc/00/08/83/1033000883.db2.gz ZSSLOIBIIYYXHB-SFHVURJKSA-N 0 3 346.471 3.767 20 30 EHEDHN CN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000516955949 1021892426 /nfs/dbraw/zinc/89/24/26/1021892426.db2.gz SVLGBHKXLXYJRH-MOPGFXCFSA-N 0 3 339.483 3.597 20 30 EHEDHN CC1(C)CC[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@H](c2ccccc2)C1 ZINC000602613289 1033030127 /nfs/dbraw/zinc/03/01/27/1033030127.db2.gz PUOCUMQGBCFINM-FHWLQOOXSA-N 0 3 341.499 3.876 20 30 EHEDHN C=CCC1(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CCC1 ZINC000341571216 1022353945 /nfs/dbraw/zinc/35/39/45/1022353945.db2.gz IYYSXKWALQPIPF-QGZVFWFLSA-N 0 3 332.513 3.874 20 30 EHEDHN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000328793921 1022504551 /nfs/dbraw/zinc/50/45/51/1022504551.db2.gz BEYLSARLPGQXMJ-CZUORRHYSA-N 0 3 338.455 3.623 20 30 EHEDHN COCCCCN(Cc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000120702959 1022551129 /nfs/dbraw/zinc/55/11/29/1022551129.db2.gz JRBLHQWABUTISH-UHFFFAOYSA-N 0 3 338.451 3.996 20 30 EHEDHN CC(C)[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000330372234 1022569216 /nfs/dbraw/zinc/56/92/16/1022569216.db2.gz BFTGUQNMQMVAFS-MAUKXSAKSA-N 0 3 345.462 3.844 20 30 EHEDHN CCc1c(C(=O)NCCN2CCCC(C)(C)C2)cnn1C(C)(C)C ZINC000330964083 1022716766 /nfs/dbraw/zinc/71/67/66/1022716766.db2.gz KQJVCPHHCXLRJV-UHFFFAOYSA-N 0 3 334.508 3.627 20 30 EHEDHN COC(=O)c1csc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000602697151 1033076616 /nfs/dbraw/zinc/07/66/16/1033076616.db2.gz VMLZCWMWSRLCSK-QGZVFWFLSA-N 0 3 326.421 3.574 20 30 EHEDHN C=CCn1cc(CNCCCCc2ccc(Cl)c(Cl)c2)nn1 ZINC000425361429 1022759493 /nfs/dbraw/zinc/75/94/93/1022759493.db2.gz ZJXMKCGJUDJKBK-UHFFFAOYSA-N 0 3 339.270 3.883 20 30 EHEDHN C=CCN1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000276816888 1023041367 /nfs/dbraw/zinc/04/13/67/1023041367.db2.gz FGKUIWJMKWYCCQ-UHFFFAOYSA-N 0 3 348.244 3.865 20 30 EHEDHN C=CCOc1ccc(CNCc2ccc3c(c2)CCCN3)cc1OC ZINC000414980344 1023260324 /nfs/dbraw/zinc/26/03/24/1023260324.db2.gz WJKZWLSOZMHQJK-UHFFFAOYSA-N 0 3 338.451 3.908 20 30 EHEDHN CCCN(C(=O)CCCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000593971765 1033134021 /nfs/dbraw/zinc/13/40/21/1033134021.db2.gz FUYQDLWMMQDLTN-FQEVSTJZSA-N 0 3 341.499 3.974 20 30 EHEDHN C=CCC[C@H](NCC(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000341932551 1023704471 /nfs/dbraw/zinc/70/44/71/1023704471.db2.gz PWIKSFSBRHYNFK-IBGZPJMESA-N 0 3 326.415 3.739 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000610980604 1023925195 /nfs/dbraw/zinc/92/51/95/1023925195.db2.gz HQXLDPPKJMJJFH-UHFFFAOYSA-N 0 3 333.435 3.608 20 30 EHEDHN N#Cc1cccc(C2(NCc3cccc4c3NCCC4)CCOCC2)c1 ZINC000895279379 1024193373 /nfs/dbraw/zinc/19/33/73/1024193373.db2.gz YSUPYUTVZCFTCR-UHFFFAOYSA-N 0 3 347.462 3.712 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(NC(N)=O)cc1 ZINC000346150502 1024450785 /nfs/dbraw/zinc/45/07/85/1024450785.db2.gz YJTCCIVCACRTRS-VXGBXAGGSA-N 0 3 326.375 3.600 20 30 EHEDHN C[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000346151819 1024452642 /nfs/dbraw/zinc/45/26/42/1024452642.db2.gz ZRJHNMNCFVRZEX-CYBMUJFWSA-N 0 3 338.361 3.873 20 30 EHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](CC1CCCC1)c1ccccc1 ZINC000342232334 1024497968 /nfs/dbraw/zinc/49/79/68/1024497968.db2.gz YDELXEACFYKPCG-YLJYHZDGSA-N 0 3 341.499 3.906 20 30 EHEDHN C[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1ccc(C#N)c(F)c1 ZINC000346229147 1024542697 /nfs/dbraw/zinc/54/26/97/1024542697.db2.gz ZUHPXOZLZXDYQO-OAHLLOKOSA-N 0 3 334.398 3.793 20 30 EHEDHN C=CCC[C@@H](CO)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000320667590 1024568042 /nfs/dbraw/zinc/56/80/42/1024568042.db2.gz RSVIKUGXKYVKBK-ZDUSSCGKSA-N 0 3 328.437 3.973 20 30 EHEDHN CN1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccccc1 ZINC000281221564 1024760807 /nfs/dbraw/zinc/76/08/07/1024760807.db2.gz OJICSPWRPFSMNV-VQTJNVASSA-N 0 3 347.462 3.663 20 30 EHEDHN C=CCOc1ccc(CN(C)Cc2cccc(OC)c2)cc1OC ZINC000505665395 1024801332 /nfs/dbraw/zinc/80/13/32/1024801332.db2.gz UOIPGOYDSKSRRP-UHFFFAOYSA-N 0 3 327.424 3.901 20 30 EHEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1coc3ccc(F)cc13)C2 ZINC001141852976 1024959199 /nfs/dbraw/zinc/95/91/99/1024959199.db2.gz XZNOWNFRKXFDEY-YLJYHZDGSA-N 0 3 345.414 3.898 20 30 EHEDHN C=CCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001269977046 1024980888 /nfs/dbraw/zinc/98/08/88/1024980888.db2.gz HFOJNICYTIVFSZ-KBPBESRZSA-N 0 3 332.410 3.606 20 30 EHEDHN C=CCN1CCC(NC(=O)Cc2coc3c2ccc(Cl)c3C)CC1 ZINC000896209143 1025247760 /nfs/dbraw/zinc/24/77/60/1025247760.db2.gz VMDBYORCNSWXKE-UHFFFAOYSA-N 0 3 346.858 3.704 20 30 EHEDHN C=CCOc1ccc(CN(C)Cc2ccc(OC)cc2)cc1OC ZINC000505775864 1025480396 /nfs/dbraw/zinc/48/03/96/1025480396.db2.gz FQOKCTQIISUTEA-UHFFFAOYSA-N 0 3 327.424 3.901 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)CC1 ZINC000521576909 1025489627 /nfs/dbraw/zinc/48/96/27/1025489627.db2.gz TWXDIXMYPSHDJZ-MRXNPFEDSA-N 0 3 344.499 3.518 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000442881902 1025561954 /nfs/dbraw/zinc/56/19/54/1025561954.db2.gz OOAICRWQQREZBU-INIZCTEOSA-N 0 3 338.426 3.828 20 30 EHEDHN CCCOc1ccc2c(c1)CCN(CCCC1(C#N)CCOCC1)C2 ZINC000281869098 1025613570 /nfs/dbraw/zinc/61/35/70/1025613570.db2.gz CAPXBDJJRFAULI-UHFFFAOYSA-N 0 3 342.483 3.934 20 30 EHEDHN CC[C@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000439122253 1025768622 /nfs/dbraw/zinc/76/86/22/1025768622.db2.gz HWJSDNNUYRVGDT-IRJFHVNHSA-N 0 3 341.499 3.665 20 30 EHEDHN CC[C@@H]1C[C@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)CC(=O)N1 ZINC000329423604 1025830718 /nfs/dbraw/zinc/83/07/18/1025830718.db2.gz IGPUPLAGUJTBDW-RRFJBIMHSA-N 0 3 349.500 3.987 20 30 EHEDHN Cc1cc(N2CCCCCC2)ccc1NC([O-])=[NH+][C@@H]1C[C@H](O)C1(C)C ZINC000329444432 1025856828 /nfs/dbraw/zinc/85/68/28/1025856828.db2.gz NNTIZFMXCBWJCI-MSOLQXFVSA-N 0 3 345.487 3.861 20 30 EHEDHN C=CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000522074562 1025941099 /nfs/dbraw/zinc/94/10/99/1025941099.db2.gz PJLIIISQBNGIEV-FQEVSTJZSA-N 0 3 341.499 3.740 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000522097729 1025969485 /nfs/dbraw/zinc/96/94/85/1025969485.db2.gz WWAJFQHCGFTDRS-DOTOQJQBSA-N 0 3 332.875 3.718 20 30 EHEDHN COc1ccc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)cc1C#N ZINC000119799822 1025992439 /nfs/dbraw/zinc/99/24/39/1025992439.db2.gz TYLZEUBKZZKVNE-OAHLLOKOSA-N 0 3 346.434 3.912 20 30 EHEDHN N#Cc1ccc(CNCCc2cc(Cl)ccc2Br)o1 ZINC000158218889 1026110284 /nfs/dbraw/zinc/11/02/84/1026110284.db2.gz DBZVRFDDDCHBAG-UHFFFAOYSA-N 0 3 339.620 3.899 20 30 EHEDHN C=CCC1(NC(=O)Nc2ccc3c(c2)OCCNC3)CCCCC1 ZINC000625939943 1026181328 /nfs/dbraw/zinc/18/13/28/1026181328.db2.gz WWQSVPJLBYMJFF-UHFFFAOYSA-N 0 3 329.444 3.569 20 30 EHEDHN COC[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000452106598 1026498550 /nfs/dbraw/zinc/49/85/50/1026498550.db2.gz RAPWVAWULGVQDH-MRXNPFEDSA-N 0 3 341.373 3.685 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000054272570 1027042103 /nfs/dbraw/zinc/04/21/03/1027042103.db2.gz PCHHPXGKGHPDDM-IBGZPJMESA-N 0 3 333.378 3.695 20 30 EHEDHN CCCN(CCN1CCCCC1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000342802582 1027188070 /nfs/dbraw/zinc/18/80/70/1027188070.db2.gz NYHFTGMQAPMKSH-FQEVSTJZSA-N 0 3 341.499 3.798 20 30 EHEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccc1 ZINC000047359156 1027564855 /nfs/dbraw/zinc/56/48/55/1027564855.db2.gz ZVCVSEMANVJQNI-OAHLLOKOSA-N 0 3 341.374 3.547 20 30 EHEDHN CC(C)N(CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC1CC1 ZINC000532664156 1027579373 /nfs/dbraw/zinc/57/93/73/1027579373.db2.gz UXWHVOXHZUASEK-OAHLLOKOSA-N 0 3 345.512 3.997 20 30 EHEDHN COCC1(C#N)CCN(Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000342844564 1027613740 /nfs/dbraw/zinc/61/37/40/1027613740.db2.gz ZDQBHEAEXAKLKZ-UHFFFAOYSA-N 0 3 326.362 3.766 20 30 EHEDHN CN(C(=O)CN[C@@H](c1ccccc1)C1CCC1)C1(C#N)CCCCC1 ZINC000533376872 1027736138 /nfs/dbraw/zinc/73/61/38/1027736138.db2.gz BMTWMQPRWXSHFM-FQEVSTJZSA-N 0 3 339.483 3.802 20 30 EHEDHN C=CCCO[C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000347342521 1027986808 /nfs/dbraw/zinc/98/68/08/1027986808.db2.gz WNQWUCZUXBTZPX-UYAOXDASSA-N 0 3 344.499 3.557 20 30 EHEDHN N#CC(CCN1CCOCC2(CC2)C1)(c1ccccc1)c1ccccc1 ZINC000444689979 1028160369 /nfs/dbraw/zinc/16/03/69/1028160369.db2.gz QFVGFFMAWMUSJY-UHFFFAOYSA-N 0 3 346.474 3.999 20 30 EHEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000504059993 1028372532 /nfs/dbraw/zinc/37/25/32/1028372532.db2.gz RGUNUQKRWQHZDZ-HKUYNNGSSA-N 0 3 347.503 3.730 20 30 EHEDHN CCCCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424067533 1028773061 /nfs/dbraw/zinc/77/30/61/1028773061.db2.gz PMOJXWSWVBSLTN-KRWDZBQOSA-N 0 3 335.879 3.880 20 30 EHEDHN C[C@@H](Nc1ccc(NC(=O)[C@H](N)CCCC#N)cc1)c1ccccc1 ZINC000424095219 1028797521 /nfs/dbraw/zinc/79/75/21/1028797521.db2.gz AEKXSMNYHGQFKX-DNVCBOLYSA-N 0 3 336.439 3.819 20 30 EHEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000424114379 1028809652 /nfs/dbraw/zinc/80/96/52/1028809652.db2.gz QSRTXECUZAOARQ-DNVCBOLYSA-N 0 3 337.423 3.677 20 30 EHEDHN CC(C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424116315 1028812373 /nfs/dbraw/zinc/81/23/73/1028812373.db2.gz XIOZPDVTNYRPJF-HUUCEWRRSA-N 0 3 341.377 3.540 20 30 EHEDHN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424122782 1028820177 /nfs/dbraw/zinc/82/01/77/1028820177.db2.gz JSURTSLUWWLOLE-JXFKEZNVSA-N 0 3 335.451 3.894 20 30 EHEDHN N#C[C@H]1CC[C@@H](NCc2cc(Br)ccc2OC(F)F)C1 ZINC000424194371 1028879327 /nfs/dbraw/zinc/87/93/27/1028879327.db2.gz LLTARVAXTXXEEK-JOYOIKCWSA-N 0 3 345.187 3.832 20 30 EHEDHN CCOC(=O)[C@@H]1CC[C@@H](NCc2ccc(C#N)s2)c2ccccc21 ZINC000421887072 1028894749 /nfs/dbraw/zinc/89/47/49/1028894749.db2.gz SGTSPOWUSXEBIP-QZTJIDSGSA-N 0 3 340.448 3.891 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000248447925 1028908063 /nfs/dbraw/zinc/90/80/63/1028908063.db2.gz DIGSRDTXCHLOMW-FOIQADDNSA-N 0 3 340.398 3.770 20 30 EHEDHN CC(C)[C@H](NCc1ccc(C#N)s1)c1ccc2[nH]c(=O)oc2c1 ZINC000421895980 1028913376 /nfs/dbraw/zinc/91/33/76/1028913376.db2.gz YZUMGVYTVMYXKG-INIZCTEOSA-N 0 3 327.409 3.953 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)n1 ZINC000248766807 1028948678 /nfs/dbraw/zinc/94/86/78/1028948678.db2.gz OAOOZTBHXMOETC-WKPIXPDZSA-N 0 3 339.420 3.536 20 30 EHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000424324455 1028971688 /nfs/dbraw/zinc/97/16/88/1028971688.db2.gz KABOHNRFXPANLV-YQQAZPJKSA-N 0 3 346.496 3.746 20 30 EHEDHN N#Cc1cccnc1OC1CCC(Nc2ccnc3ccccc32)CC1 ZINC000445660870 1029031012 /nfs/dbraw/zinc/03/10/12/1029031012.db2.gz XZOUHKLGYBMCJA-UHFFFAOYSA-N 0 3 344.418 3.725 20 30 EHEDHN C=CCC[C@@H](O)CN(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445895405 1029216374 /nfs/dbraw/zinc/21/63/74/1029216374.db2.gz GDTCCQHBUFQUCJ-HIFRSBDPSA-N 0 3 340.261 3.532 20 30 EHEDHN N#CC(C(=O)c1ccc2c(n1)CCCC2)c1ccc(C(F)(F)F)cn1 ZINC000533086960 1029313073 /nfs/dbraw/zinc/31/30/73/1029313073.db2.gz MFVDOVPATZAQMX-CYBMUJFWSA-N 0 3 345.324 3.864 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000524668275 1029427375 /nfs/dbraw/zinc/42/73/75/1029427375.db2.gz BIPIVLPEYYKDNA-ZWKOTPCHSA-N 0 3 335.536 3.931 20 30 EHEDHN C=CCC[C@H](O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272900860 1029816429 /nfs/dbraw/zinc/81/64/29/1029816429.db2.gz ZRSPGEOWWBBUQL-PKOBYXMFSA-N 0 3 330.859 3.936 20 30 EHEDHN CC[C@H](CN(CC)CC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000481739936 1029897045 /nfs/dbraw/zinc/89/70/45/1029897045.db2.gz URPLRVOVBCVJAC-YLJYHZDGSA-N 0 3 329.488 3.557 20 30 EHEDHN CC[C@H](C)N[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccco1 ZINC000343255291 1029939993 /nfs/dbraw/zinc/93/99/93/1029939993.db2.gz NZXPWSAGJQTRJY-LRDDRELGSA-N 0 3 328.372 3.601 20 30 EHEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@@H]3Cc3ccccc3)o2)c1 ZINC000441257263 1030186278 /nfs/dbraw/zinc/18/62/78/1030186278.db2.gz HYQORFLXPJZBSQ-LJQANCHMSA-N 0 3 344.418 3.815 20 30 EHEDHN C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1)c1cccc(C#N)c1 ZINC000453377057 1030199996 /nfs/dbraw/zinc/19/99/96/1030199996.db2.gz PPBKCFWIZKMWGC-JEDBISTDSA-N 0 3 338.455 3.603 20 30 EHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000246311542 1030440991 /nfs/dbraw/zinc/44/09/91/1030440991.db2.gz CMCAVQVJYNSKCZ-ZHALLVOQSA-N 0 3 339.483 3.596 20 30 EHEDHN N#Cc1cccnc1OC1CCC(NCc2c(F)cccc2F)CC1 ZINC000527074795 1030626394 /nfs/dbraw/zinc/62/63/94/1030626394.db2.gz HOWTYXVAXNJDRO-UHFFFAOYSA-N 0 3 343.377 3.711 20 30 EHEDHN Cc1cc(C)c(C#N)c(NC2CCN([C@H](C)c3ccncc3)CC2)n1 ZINC000584049410 1031561752 /nfs/dbraw/zinc/56/17/52/1031561752.db2.gz ZDVXSNBXCBOKSY-MRXNPFEDSA-N 0 3 335.455 3.603 20 30 EHEDHN N#Cc1ccc(CNC(=O)CNC2(c3ccccc3)CCCCC2)cc1 ZINC000477667134 1031757019 /nfs/dbraw/zinc/75/70/19/1031757019.db2.gz KQTNMGDKPUQEMU-UHFFFAOYSA-N 0 3 347.462 3.624 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180899046 1031921417 /nfs/dbraw/zinc/92/14/17/1031921417.db2.gz XSRQWYWFMZRUHA-QGZVFWFLSA-N 0 3 337.467 3.824 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000573158117 1031995948 /nfs/dbraw/zinc/99/59/48/1031995948.db2.gz LNTFBIVERDTAOW-LRDDRELGSA-N 0 3 345.830 3.664 20 30 EHEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000598585921 1033315133 /nfs/dbraw/zinc/31/51/33/1033315133.db2.gz LXEYNUJZOFJDBA-UONOGXRCSA-N 0 3 338.854 3.787 20 30 EHEDHN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@H](O)CC(C)(C)C#N ZINC000598610456 1033323615 /nfs/dbraw/zinc/32/36/15/1033323615.db2.gz CFHXEWOWWQZRKN-HIFRSBDPSA-N 0 3 328.378 3.879 20 30 EHEDHN CC(C)(C#N)C[C@H](O)CN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000598616594 1033328710 /nfs/dbraw/zinc/32/87/10/1033328710.db2.gz MWFZENHUQWBAMC-INIZCTEOSA-N 0 3 338.854 3.992 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594432591 1033368763 /nfs/dbraw/zinc/36/87/63/1033368763.db2.gz DNANUXJFEKIZHY-GRDNDAEWSA-N 0 3 335.879 3.702 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000594432071 1033370108 /nfs/dbraw/zinc/37/01/08/1033370108.db2.gz WPADSQOQWUXPFG-MRXNPFEDSA-N 0 3 341.386 3.968 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000594445049 1033377035 /nfs/dbraw/zinc/37/70/35/1033377035.db2.gz OBMZKZFHGFVDIL-SFHVURJKSA-N 0 3 329.444 3.748 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000594446168 1033379424 /nfs/dbraw/zinc/37/94/24/1033379424.db2.gz QWOJDPKLZLZHCV-ZIAGYGMSSA-N 0 3 340.254 3.508 20 30 EHEDHN CCCc1ccc([C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C)cc1 ZINC000594425137 1033387732 /nfs/dbraw/zinc/38/77/32/1033387732.db2.gz FYRXBUDXPPOUEG-RBUKOAKNSA-N 0 3 329.488 3.864 20 30 EHEDHN CC(C)(C#N)c1ccc(CNCc2ccc(N3CCCC3)nc2)cc1 ZINC000594493959 1033393394 /nfs/dbraw/zinc/39/33/94/1033393394.db2.gz CHJGIRAONAXPLY-UHFFFAOYSA-N 0 3 334.467 3.773 20 30 EHEDHN N#CC1(c2ccc(CNCc3cccc(Cn4cccn4)c3)cc2)CC1 ZINC000594921790 1033547331 /nfs/dbraw/zinc/54/73/31/1033547331.db2.gz CLHQCXMCWXEJDB-UHFFFAOYSA-N 0 3 342.446 3.776 20 30 EHEDHN N#CC1(c2ccc(CN[C@H]3CCCN(c4ccccc4)C3=O)cc2)CC1 ZINC000594924739 1033548428 /nfs/dbraw/zinc/54/84/28/1033548428.db2.gz MVYRUTMJEZQFHS-FQEVSTJZSA-N 0 3 345.446 3.527 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc3ccccc32)CC1 ZINC000106267767 1033564315 /nfs/dbraw/zinc/56/43/15/1033564315.db2.gz IJEKDIVFJRXURX-UHFFFAOYSA-N 0 3 337.467 3.680 20 30 EHEDHN C=CCCSCCNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000594960013 1033599101 /nfs/dbraw/zinc/59/91/01/1033599101.db2.gz IAIYRZVIYSFZME-UHFFFAOYSA-N 0 3 343.418 3.991 20 30 EHEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC1CCCCC1 ZINC000603490996 1033679717 /nfs/dbraw/zinc/67/97/17/1033679717.db2.gz MSJXJXYWVYWMKX-ZDUSSCGKSA-N 0 3 345.512 3.948 20 30 EHEDHN CN(CCCN(C)[C@H](C#N)c1ccc(Cl)cc1)Cc1ccco1 ZINC000595485399 1033810851 /nfs/dbraw/zinc/81/08/51/1033810851.db2.gz YACLSICBFKRYNF-GOSISDBHSA-N 0 3 331.847 3.952 20 30 EHEDHN COCCOCCN(Cc1ccccc1)Cc1ccc(C)c(C#N)c1 ZINC000599317717 1033868639 /nfs/dbraw/zinc/86/86/39/1033868639.db2.gz WTCVFWAPMKJMGH-UHFFFAOYSA-N 0 3 338.451 3.532 20 30 EHEDHN C=CCn1cc(CN[C@H]2CCCC[C@@H]2c2ccccc2Cl)nn1 ZINC000658037709 1033871047 /nfs/dbraw/zinc/87/10/47/1033871047.db2.gz IVBVIORTYAOHDU-AEFFLSMTSA-N 0 3 330.863 3.934 20 30 EHEDHN N#Cc1ccc(CNC[C@@H](O)c2ccc(Cl)cc2Cl)s1 ZINC000176967837 1033894493 /nfs/dbraw/zinc/89/44/93/1033894493.db2.gz XGBMSFRPRLWTCJ-CQSZACIVSA-N 0 3 327.236 3.750 20 30 EHEDHN C=CC[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000595661272 1033939131 /nfs/dbraw/zinc/93/91/31/1033939131.db2.gz XYWXRRYUQDNJEL-ZIAGYGMSSA-N 0 3 342.399 3.994 20 30 EHEDHN Cc1cc(C#N)ccc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595768927 1033971921 /nfs/dbraw/zinc/97/19/21/1033971921.db2.gz MQHZFFVRDYLEDX-UHFFFAOYSA-N 0 3 331.419 3.534 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000455981147 1034004583 /nfs/dbraw/zinc/00/45/83/1034004583.db2.gz GYTGUBYASLRYMF-HXUWFJFHSA-N 0 3 348.450 3.605 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858215 1034011757 /nfs/dbraw/zinc/01/17/57/1034011757.db2.gz TUGLJJLCDYETEM-LPDLYFKZSA-N 0 3 343.446 3.724 20 30 EHEDHN CC[C@H](c1ccccc1)N(CC(=O)N[C@](C)(C#N)C1CC1)C(C)C ZINC000595858539 1034011796 /nfs/dbraw/zinc/01/17/96/1034011796.db2.gz VJJOABFKWSHJTN-UYAOXDASSA-N 0 3 327.472 3.657 20 30 EHEDHN Cc1sc(NC(=O)CN(CCC2CC2)CC2CC2)c(C#N)c1C ZINC000595872352 1034032197 /nfs/dbraw/zinc/03/21/97/1034032197.db2.gz WGPZJADILNZPCB-UHFFFAOYSA-N 0 3 331.485 3.687 20 30 EHEDHN C[C@@]1(Cc2cccc3ccccc32)CCCN1C(=O)[C@H](N)CCCC#N ZINC000595994599 1034042015 /nfs/dbraw/zinc/04/20/15/1034042015.db2.gz UEGNEWYTNZOKJG-IRLDBZIGSA-N 0 3 349.478 3.785 20 30 EHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000177030190 1034048885 /nfs/dbraw/zinc/04/88/85/1034048885.db2.gz XZGLVUNLBORMFG-UHFFFAOYSA-N 0 3 331.423 3.551 20 30 EHEDHN CC[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1cc(C)ccc1C ZINC000599640598 1034063566 /nfs/dbraw/zinc/06/35/66/1034063566.db2.gz KOGYLVIEHRJMCX-QRFRQXIXSA-N 0 3 329.488 3.787 20 30 EHEDHN CC[C@@H](Cc1ccc(Br)cc1)NC[C@H](C#N)CCC#N ZINC000596066383 1034069506 /nfs/dbraw/zinc/06/95/06/1034069506.db2.gz NWKPXNDZTDQUHF-HOCLYGCPSA-N 0 3 334.261 3.803 20 30 EHEDHN CCOc1ccc(O)c(/C=N\C[C@H](c2cccc(OC)c2)N(C)C)c1 ZINC000255828572 1034483598 /nfs/dbraw/zinc/48/35/98/1034483598.db2.gz VBGANOWRPXKRSC-UOIFGXKSSA-N 0 3 342.439 3.521 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000597157031 1034568794 /nfs/dbraw/zinc/56/87/94/1034568794.db2.gz DKRJEAKGBTUVFK-KKSFZXQISA-N 0 3 336.435 3.919 20 30 EHEDHN C=C(C)COc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)ccc1OC ZINC000121291799 1034637166 /nfs/dbraw/zinc/63/71/66/1034637166.db2.gz KVSCFQARXONQMM-KRWDZBQOSA-N 0 3 341.455 3.753 20 30 EHEDHN CCN(C(=O)c1ccc(C#N)cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000364479938 1034657606 /nfs/dbraw/zinc/65/76/06/1034657606.db2.gz CXDHZNRQMXBLNO-UTKZUKDTSA-N 0 3 347.462 3.856 20 30 EHEDHN N#Cc1ccc(N2CCC(NCc3nc(C4CC4)cs3)CC2)cc1 ZINC000375886491 1034825886 /nfs/dbraw/zinc/82/58/86/1034825886.db2.gz FYWWBQVTGFFJKH-UHFFFAOYSA-N 0 3 338.480 3.651 20 30 EHEDHN CC(C)(C)OC(=O)C1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602016756 1034857762 /nfs/dbraw/zinc/85/77/62/1034857762.db2.gz YXBANKPGAVCDEB-UHFFFAOYSA-N 0 3 332.419 3.687 20 30 EHEDHN Cc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000180037859 1035250431 /nfs/dbraw/zinc/25/04/31/1035250431.db2.gz ZGRWFKCHMOKRRQ-UHFFFAOYSA-N 0 3 334.398 3.696 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000431723548 1035370480 /nfs/dbraw/zinc/37/04/80/1035370480.db2.gz POOWUJXZKJQEAD-LJQANCHMSA-N 0 3 348.450 3.605 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]3CCC[C@@H]32)c1C ZINC000173808001 1035765518 /nfs/dbraw/zinc/76/55/18/1035765518.db2.gz NSORPVVEFSMIQM-QUCCMNQESA-N 0 3 339.483 3.815 20 30 EHEDHN C[C@](O)(C1CCN(CCC2(C#N)CCCCC2)CC1)C(F)(F)F ZINC000571860012 1035786175 /nfs/dbraw/zinc/78/61/75/1035786175.db2.gz ZBDZZZJJOZKFNG-HNNXBMFYSA-N 0 3 332.410 3.876 20 30 EHEDHN Cc1ccccc1[C@H](NCC(=O)Nc1sccc1C#N)C1CC1 ZINC000272039968 1035910653 /nfs/dbraw/zinc/91/06/53/1035910653.db2.gz OJDCFXLMXBGIQB-QGZVFWFLSA-N 0 3 325.437 3.608 20 30 EHEDHN COc1ccc2c(c1)CC[C@H](C(=O)C(C#N)c1nc3ccccc3o1)C2 ZINC000892553679 1036018181 /nfs/dbraw/zinc/01/81/81/1036018181.db2.gz RUALPXNAUOCFJJ-RDJZCZTQSA-N 0 3 346.386 3.818 20 30 EHEDHN C=CCc1cc(CN[C@H](C)c2ccc3c(c2)CCO3)cc(OC)c1O ZINC000897419760 1036360294 /nfs/dbraw/zinc/36/02/94/1036360294.db2.gz RCFJLTKZQYIDLY-CQSZACIVSA-N 0 3 339.435 3.915 20 30 EHEDHN N#CCCCN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102402090 1036446008 /nfs/dbraw/zinc/44/60/08/1036446008.db2.gz CKLLPOCWYFCQNI-CQSZACIVSA-N 0 3 330.819 3.873 20 30 EHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000309945385 1036744800 /nfs/dbraw/zinc/74/48/00/1036744800.db2.gz GLANRPOMKREPGF-YYIAUSFCSA-N 0 3 335.492 3.694 20 30 EHEDHN N#CCCC[C@@H](NCc1cnnn1-c1ccccc1)c1ccccc1 ZINC000590123230 1036763409 /nfs/dbraw/zinc/76/34/09/1036763409.db2.gz ALGKRHLBUOEITJ-HXUWFJFHSA-N 0 3 331.423 3.792 20 30 EHEDHN C[C@H](CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccc(Cl)c1 ZINC000428787231 1036794294 /nfs/dbraw/zinc/79/42/94/1036794294.db2.gz JLFQRTHZVOJYAJ-RDTXWAMCSA-N 0 3 341.842 3.863 20 30 EHEDHN C[C@H](N[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000414347859 1036857155 /nfs/dbraw/zinc/85/71/55/1036857155.db2.gz NVTZEQQCDMYLDO-BBRMVZONSA-N 0 3 327.378 3.766 20 30 EHEDHN Cc1nsc(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1C#N ZINC000376449160 1036875254 /nfs/dbraw/zinc/87/52/54/1036875254.db2.gz OUXZJVUOIYDAPU-DOMZBBRYSA-N 0 3 332.498 3.880 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000464897161 1036963809 /nfs/dbraw/zinc/96/38/09/1036963809.db2.gz SJLYYGVWQFJBKP-IPMKNSEASA-N 0 3 339.483 3.671 20 30 EHEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972203 1037147800 /nfs/dbraw/zinc/14/78/00/1037147800.db2.gz WMCKOLQNPAFEAK-IRLDBZIGSA-N 0 3 348.446 3.748 20 30 EHEDHN CSc1cccc(N(C(=O)CC2(C#N)CC2)C2CCN(C)CC2)c1 ZINC000590983264 1037176489 /nfs/dbraw/zinc/17/64/89/1037176489.db2.gz YQWMFVGKJHIHLN-UHFFFAOYSA-N 0 3 343.496 3.530 20 30 EHEDHN CN(C)/C=N/c1ccc(NCc2nccc3ccccc32)cc1C#N ZINC001167703261 1037185055 /nfs/dbraw/zinc/18/50/55/1037185055.db2.gz WFRJWYOLLOFTHY-ZVHZXABRSA-N 0 3 329.407 3.940 20 30 EHEDHN N#Cc1cc(CN[C@@H](c2ccccc2)C2(CO)CCCCC2)ccn1 ZINC000591051558 1037199905 /nfs/dbraw/zinc/19/99/05/1037199905.db2.gz UERBBPDMLXMIOV-FQEVSTJZSA-N 0 3 335.451 3.727 20 30 EHEDHN C=C(C)COc1cc(CNC[C@@H](O)c2ccccc2F)ccc1OC ZINC000057966053 1037321625 /nfs/dbraw/zinc/32/16/25/1037321625.db2.gz RTSXMUZPVBBEBL-GOSISDBHSA-N 0 3 345.414 3.612 20 30 EHEDHN Cc1ccccc1[C@@H](NC(=O)[C@H](N)CCCC#N)C1CCC(C)CC1 ZINC000591608326 1037527306 /nfs/dbraw/zinc/52/73/06/1037527306.db2.gz AIFFNPJXYJEBOS-DGGFBBCUSA-N 0 3 341.499 4.000 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)c(F)c1 ZINC000271908210 1037690375 /nfs/dbraw/zinc/69/03/75/1037690375.db2.gz CVUULZFQJDCETD-OLZOCXBDSA-N 0 3 326.371 3.880 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000540375607 1037859540 /nfs/dbraw/zinc/85/95/40/1037859540.db2.gz ITFFXBVYCAYZGS-XLIONFOSSA-N 0 3 329.488 3.808 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)cc1F ZINC000592165828 1037911169 /nfs/dbraw/zinc/91/11/69/1037911169.db2.gz FSPDQUVNZOHJIX-LEWJYISDSA-N 0 3 338.426 3.655 20 30 EHEDHN CCCCN(Cc1ccncc1C#N)[C@H]1CCc2ncsc2C1 ZINC000592186156 1037916705 /nfs/dbraw/zinc/91/67/05/1037916705.db2.gz AISBVAJHTJPVQO-INIZCTEOSA-N 0 3 326.469 3.569 20 30 EHEDHN C=CCN1CCC(Nc2ncnc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000592371510 1037920594 /nfs/dbraw/zinc/92/05/94/1037920594.db2.gz SAZGMFGTCZHSJR-ZDUSSCGKSA-N 0 3 342.512 3.878 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2cccs2)C2CC2)CC1 ZINC000592343859 1037927441 /nfs/dbraw/zinc/92/74/41/1037927441.db2.gz JRGWGBGXPSBYHP-KRWDZBQOSA-N 0 3 333.501 3.539 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)CC1 ZINC000173160897 1037958404 /nfs/dbraw/zinc/95/84/04/1037958404.db2.gz UMTCQBXDXIDPBB-KRWDZBQOSA-N 0 3 343.515 3.832 20 30 EHEDHN C=CCOc1ccccc1CN[C@@H]1CCN(c2ccccc2F)C1 ZINC000492132287 1038016997 /nfs/dbraw/zinc/01/69/97/1038016997.db2.gz PJBOFTHCULELQP-QGZVFWFLSA-N 0 3 326.415 3.759 20 30 EHEDHN COc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1OC(F)F ZINC000041521843 1038116274 /nfs/dbraw/zinc/11/62/74/1038116274.db2.gz VRTVLJMNAUGKGK-JTQLQIEISA-N 0 3 338.335 3.552 20 30 EHEDHN CCCCNC(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181600075 1038452678 /nfs/dbraw/zinc/45/26/78/1038452678.db2.gz BMEGXACHGCEMCR-INIZCTEOSA-N 0 3 335.451 3.939 20 30 EHEDHN N#CCCCOc1cccc(CN2CCC(OCC3CC3)CC2)c1 ZINC000378338404 1038481745 /nfs/dbraw/zinc/48/17/45/1038481745.db2.gz CBZWCTHHNJFLSY-UHFFFAOYSA-N 0 3 328.456 3.760 20 30 EHEDHN C[C@H]1C[C@@H](NC(=O)Nc2cccc(CC#N)c2)CN1Cc1ccccc1 ZINC000455919674 1038713292 /nfs/dbraw/zinc/71/32/92/1038713292.db2.gz MLGMTQBPQYEIJT-OXJNMPFZSA-N 0 3 348.450 3.537 20 30 EHEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c(F)c1 ZINC000479916137 1038895396 /nfs/dbraw/zinc/89/53/96/1038895396.db2.gz HBISKCHWTIJOLD-AWEZNQCLSA-N 0 3 347.796 3.858 20 30 EHEDHN C[C@H](NC[C@](C)(CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000477859246 1038966595 /nfs/dbraw/zinc/96/65/95/1038966595.db2.gz IPGMYUJFLWAODZ-MGPUTAFESA-N 0 3 326.415 3.589 20 30 EHEDHN C=CCC[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccco1 ZINC000552251397 1039130607 /nfs/dbraw/zinc/13/06/07/1039130607.db2.gz VNNRHJVMHMFCLU-CXAGYDPISA-N 0 3 337.366 3.595 20 30 EHEDHN C=CCC[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1ccco1 ZINC000552251400 1039131249 /nfs/dbraw/zinc/13/12/49/1039131249.db2.gz VNNRHJVMHMFCLU-SUMWQHHRSA-N 0 3 337.366 3.595 20 30 EHEDHN N#CC(C(=O)c1c[nH]c(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000429583262 1039145758 /nfs/dbraw/zinc/14/57/58/1039145758.db2.gz APTCNUSVLFNWGZ-VIFPVBQESA-N 0 3 347.218 3.937 20 30 EHEDHN N#Cc1cccc(CNC(=O)CN2CCCC3(C2)CCCCCC3)c1 ZINC000464763071 1039303169 /nfs/dbraw/zinc/30/31/69/1039303169.db2.gz ZJRVFHKXCIEFST-UHFFFAOYSA-N 0 3 339.483 3.611 20 30 EHEDHN CC(C)N(C)CC(=O)N(Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001142586668 1039382456 /nfs/dbraw/zinc/38/24/56/1039382456.db2.gz GZQSFZBMDOEALL-GOSISDBHSA-N 0 3 349.478 3.988 20 30 EHEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccccc1F ZINC000728918444 1039386288 /nfs/dbraw/zinc/38/62/88/1039386288.db2.gz MDSMXVMGKWFQOM-LBPRGKRZSA-N 0 3 339.395 3.748 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)CN(C(C)C)C2CCC2)cc1C ZINC000163608230 1039407337 /nfs/dbraw/zinc/40/73/37/1039407337.db2.gz WLHRYRKXVUUCLE-UHFFFAOYSA-N 0 3 327.472 3.813 20 30 EHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000912084820 1039667958 /nfs/dbraw/zinc/66/79/58/1039667958.db2.gz ZDFKATMVGUJREA-GOSISDBHSA-N 0 3 345.487 3.612 20 30 EHEDHN C=CCOc1ccc(CNCc2c[nH]nc2-c2ccc(OC)cc2)cc1 ZINC000512541763 1039684963 /nfs/dbraw/zinc/68/49/63/1039684963.db2.gz HZAHJYXTBYDEDW-UHFFFAOYSA-N 0 3 349.434 3.940 20 30 EHEDHN N#Cc1ccc(N2CCC[C@H](N3CC[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000489179483 1039702039 /nfs/dbraw/zinc/70/20/39/1039702039.db2.gz ZIZZTWPCECMMPE-CTNGQTDRSA-N 0 3 345.446 3.543 20 30 EHEDHN Cc1ccc(CN(C)C)cc1NC(=O)Cc1c(C)cc(C#N)cc1C ZINC000906907739 1039808044 /nfs/dbraw/zinc/80/80/44/1039808044.db2.gz RWMYESYKFOJSST-UHFFFAOYSA-N 0 3 335.451 3.726 20 30 EHEDHN C=CCOc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000512613738 1040275581 /nfs/dbraw/zinc/27/55/81/1040275581.db2.gz MUDUKYSCSCZUMR-LJQANCHMSA-N 0 3 338.451 3.946 20 30 EHEDHN C=C(C)Cn1c(C2CCC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000555266616 1040348421 /nfs/dbraw/zinc/34/84/21/1040348421.db2.gz CCEBDZTVRCKJHF-UHFFFAOYSA-N 0 3 345.535 3.680 20 30 EHEDHN COc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1Cn1cccn1 ZINC000151390679 1040848251 /nfs/dbraw/zinc/84/82/51/1040848251.db2.gz GPZLDZDOQQHTOH-INIZCTEOSA-N 0 3 346.434 3.662 20 30 EHEDHN Cn1cc(CN2CC(Cc3cccs3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000600214604 1040854398 /nfs/dbraw/zinc/85/43/98/1040854398.db2.gz CFABSSKHVDOHLO-UHFFFAOYSA-N 0 3 348.475 3.695 20 30 EHEDHN CC(=O)NCCc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000092740963 1040971006 /nfs/dbraw/zinc/97/10/06/1040971006.db2.gz BPHODXRQASHACL-CVEARBPZSA-N 0 3 335.451 3.649 20 30 EHEDHN Cc1nsc(NC2CCN(Cc3ccccc3C)CC2)c1C#N ZINC000587313526 1041189025 /nfs/dbraw/zinc/18/90/25/1041189025.db2.gz KVUMDIMVXDDWLF-UHFFFAOYSA-N 0 3 326.469 3.708 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H](CC)SC)cc1 ZINC000156498281 1041251968 /nfs/dbraw/zinc/25/19/68/1041251968.db2.gz GYPVZSJTRIEHPA-CVEARBPZSA-N 0 3 332.469 3.818 20 30 EHEDHN Cc1csc(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1C#N ZINC000571364151 1041295437 /nfs/dbraw/zinc/29/54/37/1041295437.db2.gz SWJYAGFABKPDQO-INIZCTEOSA-N 0 3 342.468 3.661 20 30 EHEDHN C/C(=C/c1ccccc1)CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000500395363 1041329924 /nfs/dbraw/zinc/32/99/24/1041329924.db2.gz HAUSKDMIOAVSAZ-JIHAQRTOSA-N 0 3 345.446 3.747 20 30 EHEDHN CC1(C)C[C@@H](c2ccccc2)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000576279556 1041416120 /nfs/dbraw/zinc/41/61/20/1041416120.db2.gz BJMFGGIGKZBSCD-SFHVURJKSA-N 0 3 331.423 3.574 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000660450511 1041425626 /nfs/dbraw/zinc/42/56/26/1041425626.db2.gz SGJLGANYRYJSFH-OJAHFUOMSA-N 0 3 339.483 3.715 20 30 EHEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1(C)C ZINC000759924066 1041742136 /nfs/dbraw/zinc/74/21/36/1041742136.db2.gz UQRCNCLAAGMMJR-ZIAGYGMSSA-N 0 3 341.480 3.841 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCc3ccc(C(C)C)cc3C2)CC1 ZINC000660707105 1041784878 /nfs/dbraw/zinc/78/48/78/1041784878.db2.gz MDROSWFKZHOCQY-UHFFFAOYSA-N 0 3 341.499 3.528 20 30 EHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2ccc(OC)cc2)o1 ZINC000661118860 1041956018 /nfs/dbraw/zinc/95/60/18/1041956018.db2.gz NPKMWEVWICRCIA-WMLDXEAASA-N 0 3 327.428 3.970 20 30 EHEDHN N#CCCN1CCN(CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000602747907 1042729687 /nfs/dbraw/zinc/72/96/87/1042729687.db2.gz IUNLCXUUFSSUHF-UHFFFAOYSA-N 0 3 339.405 3.559 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000165421978 1042815599 /nfs/dbraw/zinc/81/55/99/1042815599.db2.gz QVIXHIMTGXDMJJ-CABCVRRESA-N 0 3 337.423 3.601 20 30 EHEDHN COc1ccc([C@@H](CN(C)C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000585765646 1043029707 /nfs/dbraw/zinc/02/97/07/1043029707.db2.gz JEKOXNDHZMWJNL-FCHUYYIVSA-N 0 3 349.478 3.837 20 30 EHEDHN CCOc1c(OC)cc(CN[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000344118108 1043284858 /nfs/dbraw/zinc/28/48/58/1043284858.db2.gz YKQIURWDVLVLCT-AWEZNQCLSA-N 0 3 340.423 3.825 20 30 EHEDHN C[C@H](c1cccc(Cl)c1)N(C)C[C@H](O)COc1ccccc1C#N ZINC000324857268 1043335260 /nfs/dbraw/zinc/33/52/60/1043335260.db2.gz GSMLCTZEJOPFDI-KDOFPFPSSA-N 0 3 344.842 3.644 20 30 EHEDHN C[C@@H]1CC[C@@]2(CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000359541391 1043584805 /nfs/dbraw/zinc/58/48/05/1043584805.db2.gz DFHZDEHDBUAHMW-LKUPVBHCSA-N 0 3 337.467 3.566 20 30 EHEDHN N#CC(C(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1ccccn1 ZINC000187242257 1043923931 /nfs/dbraw/zinc/92/39/31/1043923931.db2.gz ACSRMAYFAZAMCG-ZDUSSCGKSA-N 0 3 328.331 3.708 20 30 EHEDHN Cc1ccc([C@@H](Cn2ccnc2)NCc2cccc(C#N)c2)c(C)c1 ZINC000344842633 1044508867 /nfs/dbraw/zinc/50/88/67/1044508867.db2.gz DPDHLWNGWRGGPC-OAQYLSRUSA-N 0 3 330.435 3.903 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cnc(-c3ccsc3)s2)CC1 ZINC000112293759 1044598828 /nfs/dbraw/zinc/59/88/28/1044598828.db2.gz BUAVJYSVIIESNN-UHFFFAOYSA-N 0 3 347.509 3.642 20 30 EHEDHN CC(C)Sc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000112543344 1044613469 /nfs/dbraw/zinc/61/34/69/1044613469.db2.gz QGUQQKYVDPYHAU-CABCVRRESA-N 0 3 333.501 3.598 20 30 EHEDHN C=C(C)CN(CC)C(=O)CN(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000622840980 1126795753 /nfs/dbraw/zinc/79/57/53/1126795753.db2.gz ACJNTGMSSCASMT-CTNGQTDRSA-N 0 3 344.499 3.511 20 30 EHEDHN CN(C)c1cccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000072607817 1126798015 /nfs/dbraw/zinc/79/80/15/1126798015.db2.gz ZFVRSPNPKKWJAR-UHFFFAOYSA-N 0 3 335.451 3.668 20 30 EHEDHN CN(C)CCN(CC1CCCCC1)C(=O)Nc1ccc(C#N)cc1 ZINC000139560620 1126919013 /nfs/dbraw/zinc/91/90/13/1126919013.db2.gz NKCSGIROVSVLTA-UHFFFAOYSA-N 0 3 328.460 3.534 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000623634952 1126998509 /nfs/dbraw/zinc/99/85/09/1126998509.db2.gz JMHIJVHTYVZYMG-GOSISDBHSA-N 0 3 347.890 3.667 20 30 EHEDHN N#CCCN(C(=O)CNC1(c2ccccc2)CCCC1)c1ccccc1 ZINC000183543775 1127380234 /nfs/dbraw/zinc/38/02/34/1127380234.db2.gz ZBJYNPFXOQMNEF-UHFFFAOYSA-N 0 3 347.462 3.992 20 30 EHEDHN N#CC(C(=O)c1cc(Br)cs1)c1nc2ccccc2[nH]1 ZINC000194585550 1127462876 /nfs/dbraw/zinc/46/28/76/1127462876.db2.gz XHDPIZGVYISKMA-SECBINFHSA-N 0 3 346.209 3.877 20 30 EHEDHN Cc1cc(OC(=O)C2CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000765117389 1127575495 /nfs/dbraw/zinc/57/54/95/1127575495.db2.gz DOPMOFWUTWNCSG-UHFFFAOYSA-N 0 3 334.419 3.684 20 30 EHEDHN N#CC(C(=O)CCc1cncc2ccccc21)c1nc2ccccc2[nH]1 ZINC000765586056 1127688331 /nfs/dbraw/zinc/68/83/31/1127688331.db2.gz HFBQCNCFFABXCR-KRWDZBQOSA-N 0 3 340.386 3.920 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000172398778 1127942368 /nfs/dbraw/zinc/94/23/68/1127942368.db2.gz SHPCSZZHQXESMV-QGZVFWFLSA-N 0 3 339.483 3.590 20 30 EHEDHN N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000301106092 1128573455 /nfs/dbraw/zinc/57/34/55/1128573455.db2.gz WCUDPVSESSYXMN-KRWDZBQOSA-N 0 3 336.395 3.543 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1snc(Cl)c1C#N ZINC000301504422 1128594158 /nfs/dbraw/zinc/59/41/58/1128594158.db2.gz CEGDDWKAHXNDQA-IUODEOHRSA-N 0 3 346.887 3.991 20 30 EHEDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(Cl)cc1 ZINC000302200202 1128625647 /nfs/dbraw/zinc/62/56/47/1128625647.db2.gz RDVVCUPNKNKBQX-QGZVFWFLSA-N 0 3 344.802 3.835 20 30 EHEDHN C[C@@H]1CCN(c2c(C#N)cccc2C#N)CCN1Cc1ccccc1 ZINC000302905866 1128654285 /nfs/dbraw/zinc/65/42/85/1128654285.db2.gz WFNATCKCRHNPPA-QGZVFWFLSA-N 0 3 330.435 3.531 20 30 EHEDHN Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000060972024 1128760216 /nfs/dbraw/zinc/76/02/16/1128760216.db2.gz UQDCLMXVDJOEKV-FQEVSTJZSA-N 0 3 348.450 3.825 20 30 EHEDHN C[C@@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)CN1Cc1ccccc1 ZINC000306689366 1128801256 /nfs/dbraw/zinc/80/12/56/1128801256.db2.gz OAHIZYSHIYOEJF-YPMHNXCESA-N 0 3 332.860 3.743 20 30 EHEDHN COc1ccc(C[C@H](C)N(C)Cc2cn3ccccc3c2C#N)cc1 ZINC000109840907 1120127104 /nfs/dbraw/zinc/12/71/04/1120127104.db2.gz VWYSVTATKDCGQB-INIZCTEOSA-N 0 3 333.435 3.883 20 30 EHEDHN C=CCC1(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CCC1 ZINC000190708312 1120647962 /nfs/dbraw/zinc/64/79/62/1120647962.db2.gz DKQJWXWZMYQOSX-UHFFFAOYSA-N 0 3 341.499 3.822 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000494721203 1120744601 /nfs/dbraw/zinc/74/46/01/1120744601.db2.gz SPTHAUJFVKVQHA-MOPGFXCFSA-N 0 3 327.472 3.574 20 30 EHEDHN C[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000494973827 1120918578 /nfs/dbraw/zinc/91/85/78/1120918578.db2.gz TYROYWXNCZKLPN-LBPRGKRZSA-N 0 3 335.423 3.651 20 30 EHEDHN C#CCN1CCC(C(=O)N[C@H]2CCCc3ccc(C(C)C)cc32)CC1 ZINC000762721180 1121429897 /nfs/dbraw/zinc/42/98/97/1121429897.db2.gz NMMADVSTNQRGCO-NRFANRHFSA-N 0 3 338.495 3.649 20 30 EHEDHN C=CCN1CCC(NC(=O)C2(c3cccc(C)c3)CCCC2)CC1 ZINC000171716472 1121508870 /nfs/dbraw/zinc/50/88/70/1121508870.db2.gz DVMIGHCVFJFELR-UHFFFAOYSA-N 0 3 326.484 3.573 20 30 EHEDHN C=CCN1CCC(NC(=O)c2sc3cccc(F)c3c2C)CC1 ZINC000171722719 1121513025 /nfs/dbraw/zinc/51/30/25/1121513025.db2.gz MLKMYDZPVJPPAS-UHFFFAOYSA-N 0 3 332.444 3.729 20 30 EHEDHN CC(C)c1ccc(C(C)(C)NCc2cnc3c(C#N)cnn3c2)cc1 ZINC000609223741 1121532299 /nfs/dbraw/zinc/53/22/99/1121532299.db2.gz SWPSEURZWPFPHZ-UHFFFAOYSA-N 0 3 333.439 3.749 20 30 EHEDHN COc1ccc(NC(=O)C[C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272342812 1121537398 /nfs/dbraw/zinc/53/73/98/1121537398.db2.gz ZWLIZUFMHMXPTQ-OAHLLOKOSA-N 0 3 349.434 3.563 20 30 EHEDHN CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1[O-] ZINC000272530241 1121676321 /nfs/dbraw/zinc/67/63/21/1121676321.db2.gz QUMPUAWSEFZBBK-RBUKOAKNSA-N 0 3 349.434 3.500 20 30 EHEDHN COC(=O)Nc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000496848368 1122193573 /nfs/dbraw/zinc/19/35/73/1122193573.db2.gz QZSCRRKHWXYCPS-LBPRGKRZSA-N 0 3 327.359 3.726 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2ccc(C)cc2C)CC1 ZINC000066599322 1122476702 /nfs/dbraw/zinc/47/67/02/1122476702.db2.gz OEEBTVACIYWKIU-SFHVURJKSA-N 0 3 343.515 3.574 20 30 EHEDHN COc1ccc(OC2CCN(Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000556667845 1123078456 /nfs/dbraw/zinc/07/84/56/1123078456.db2.gz QKWOTEOWZJAZNJ-UHFFFAOYSA-N 0 3 336.435 3.919 20 30 EHEDHN CN(C)Cc1c2ccccc2oc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000114232893 1129128216 /nfs/dbraw/zinc/12/82/16/1129128216.db2.gz QYDMSQIYFMEJFR-UHFFFAOYSA-N 0 3 347.418 3.638 20 30 EHEDHN N#Cc1ccc(N2CCC[C@@H](Nc3ccnc4ccccc43)C2)c(F)c1 ZINC000609511676 1123603162 /nfs/dbraw/zinc/60/31/62/1123603162.db2.gz JJWKNSAZLUOXMW-MRXNPFEDSA-N 0 3 346.409 3.748 20 30 EHEDHN C#CCCCCN[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000130777845 1123741870 /nfs/dbraw/zinc/74/18/70/1123741870.db2.gz JYZBKGUNTQSAJO-HXUWFJFHSA-N 0 3 336.435 3.768 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(Cn3cccn3)c2)cc1 ZINC000237600650 1123786320 /nfs/dbraw/zinc/78/63/20/1123786320.db2.gz CIACSPQTDLAEDP-QGZVFWFLSA-N 0 3 346.434 3.512 20 30 EHEDHN C#CCSCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180912728 1124095347 /nfs/dbraw/zinc/09/53/47/1124095347.db2.gz ICTOZGJMEZFLTF-SFHVURJKSA-N 0 3 326.421 3.640 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCc3nc(C)ncc32)c([O-])c1 ZINC000734752243 1131271620 /nfs/dbraw/zinc/27/16/20/1131271620.db2.gz CCCFHIUSOMQJFJ-FNLSEGDXSA-N 0 3 338.455 3.833 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000069606429 1124929479 /nfs/dbraw/zinc/92/94/79/1124929479.db2.gz ZLNVDENZLOTQPV-QFBILLFUSA-N 0 3 348.450 3.824 20 30 EHEDHN CCN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000618288456 1125038965 /nfs/dbraw/zinc/03/89/65/1125038965.db2.gz WWAJFCLWUVCNEZ-HXUWFJFHSA-N 0 3 347.506 3.912 20 30 EHEDHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(C#N)c(Cl)c2)o1 ZINC000619748477 1125400257 /nfs/dbraw/zinc/40/02/57/1125400257.db2.gz GENNEOLAICMMBQ-UHFFFAOYSA-N 0 3 326.787 3.793 20 30 EHEDHN COCCOc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748437 1125400352 /nfs/dbraw/zinc/40/03/52/1125400352.db2.gz LLWOJTMAVMGXHI-UHFFFAOYSA-N 0 3 330.815 3.527 20 30 EHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000765979981 1129429357 /nfs/dbraw/zinc/42/93/57/1129429357.db2.gz YNNYHPPZVZODSH-KBPBESRZSA-N 0 3 335.407 3.692 20 30 EHEDHN C=CCn1c([C@H](C)CC)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508934768 1129559078 /nfs/dbraw/zinc/55/90/78/1129559078.db2.gz KSIGHPLESFNYRT-MRXNPFEDSA-N 0 3 333.524 3.536 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000125005021 1129652687 /nfs/dbraw/zinc/65/26/87/1129652687.db2.gz ZWYHZUXMLBWXJS-SFHVURJKSA-N 0 3 347.462 3.603 20 30 EHEDHN N#Cc1ccc(CN(CCc2cn[nH]c2)Cc2cccc(F)c2)cc1 ZINC000347739753 1129670917 /nfs/dbraw/zinc/67/09/17/1129670917.db2.gz SZRNDDZUOUUDGG-UHFFFAOYSA-N 0 3 334.398 3.665 20 30 EHEDHN N#Cc1ccccc1OCCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000125690281 1129710917 /nfs/dbraw/zinc/71/09/17/1129710917.db2.gz SDTVWWAPIXRBDG-KRWDZBQOSA-N 0 3 347.418 3.958 20 30 EHEDHN C=CC[C@@H](N[C@H](C)c1cccc(N2CCOCC2)c1)c1ccncc1 ZINC000766019108 1129804374 /nfs/dbraw/zinc/80/43/74/1129804374.db2.gz KCZGOUSKMBQDHG-DYESRHJHSA-N 0 3 337.467 3.886 20 30 EHEDHN N#CCCN(C(=O)CN(C1CCC1)C1CCC1)c1cccc(Cl)c1 ZINC000429142142 1129862463 /nfs/dbraw/zinc/86/24/63/1129862463.db2.gz NAOUQBVPKHCKFD-UHFFFAOYSA-N 0 3 345.874 3.994 20 30 EHEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN(C)Cc1cc(C)cc(C)c1 ZINC000766092151 1130265846 /nfs/dbraw/zinc/26/58/46/1130265846.db2.gz PMMJMAIDAXUERG-UHFFFAOYSA-N 0 3 345.450 3.832 20 30 EHEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc3c(c2)CCC3)CC1 ZINC000729942843 1130657752 /nfs/dbraw/zinc/65/77/52/1130657752.db2.gz UVOCXIMBBFXOHW-UHFFFAOYSA-N 0 3 329.513 3.502 20 30 EHEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000733054170 1130986917 /nfs/dbraw/zinc/98/69/17/1130986917.db2.gz ZJQQKXQUROHVEQ-HZSPNIEDSA-N 0 3 348.830 3.583 20 30 EHEDHN C[C@@H]1CCCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000734001368 1131181107 /nfs/dbraw/zinc/18/11/07/1131181107.db2.gz CDMHIKWGOLZLRY-KGLIPLIRSA-N 0 3 327.453 3.737 20 30 EHEDHN CCOCCC[N@@H+]1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@H](C)C1 ZINC000734366616 1131225631 /nfs/dbraw/zinc/22/56/31/1131225631.db2.gz ZJYIKTKLOQUKHM-UYLJDZFGSA-N 0 3 338.879 3.602 20 30 EHEDHN CCOCCC[N@H+]1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@H](C)C1 ZINC000734366616 1131225634 /nfs/dbraw/zinc/22/56/34/1131225634.db2.gz ZJYIKTKLOQUKHM-UYLJDZFGSA-N 0 3 338.879 3.602 20 30 EHEDHN N#CC(C(=O)CCCc1nc(C2CC2)no1)c1ccc2ccccc2n1 ZINC000740527894 1131532656 /nfs/dbraw/zinc/53/26/56/1131532656.db2.gz NTPHOLSRCKDHMH-OAHLLOKOSA-N 0 3 346.390 3.694 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CNC[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000741256108 1131590557 /nfs/dbraw/zinc/59/05/57/1131590557.db2.gz KLVPSGGTHVGDRY-PXAZEXFGSA-N 0 3 348.805 3.593 20 30 EHEDHN C[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2)CN1C(=O)OC(C)(C)C ZINC001173069699 1131954536 /nfs/dbraw/zinc/95/45/36/1131954536.db2.gz JTAXGJLWLXNANJ-QAPCUYQASA-N 0 3 343.471 3.778 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1scnc1C ZINC000744029799 1132006515 /nfs/dbraw/zinc/00/65/15/1132006515.db2.gz VRVXQTHUSLWUFA-CQSZACIVSA-N 0 3 341.436 3.538 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H](C)c1ccco1 ZINC000744029902 1132006863 /nfs/dbraw/zinc/00/68/63/1132006863.db2.gz WVHFTLRZBLWSTN-BBRMVZONSA-N 0 3 338.407 3.855 20 30 EHEDHN CC(C)N(C)Cc1cnc2n1CCN(C1CCC(CC#N)CC1)[C@@H]2C ZINC001173334514 1132051212 /nfs/dbraw/zinc/05/12/12/1132051212.db2.gz YBETWUYGLIFQJA-WWDZGPRUSA-N 0 3 343.519 3.572 20 30 EHEDHN CC(=O)Oc1ccc(C2CCC(N3CC[C@@](C)(C#N)C3)CC2)cc1 ZINC001173791235 1132149582 /nfs/dbraw/zinc/14/95/82/1132149582.db2.gz YZIADTFLFSCUQG-NLPFYKDJSA-N 0 3 326.440 3.874 20 30 EHEDHN COC(=O)c1cc(NC2=CCCN(Cc3ccccc3)C2)ccc1C#N ZINC001174394900 1132329764 /nfs/dbraw/zinc/32/97/64/1132329764.db2.gz PGIOZSIYHDMFGX-UHFFFAOYSA-N 0 3 347.418 3.547 20 30 EHEDHN CCN1CCN(c2ccc(Nc3c(F)cc(F)cc3C#N)cc2)CC1 ZINC001175782052 1132766000 /nfs/dbraw/zinc/76/60/00/1132766000.db2.gz LSYGDQTWRMQEKQ-UHFFFAOYSA-N 0 3 342.393 3.722 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(=O)c1cccc(F)c1 ZINC000767431966 1133000888 /nfs/dbraw/zinc/00/08/88/1133000888.db2.gz CWTFXLGXNPDVLX-OAHLLOKOSA-N 0 3 349.365 3.552 20 30 EHEDHN CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000767838302 1133059383 /nfs/dbraw/zinc/05/93/83/1133059383.db2.gz XKTFCEMVUQOMNR-SFHVURJKSA-N 0 3 349.475 3.667 20 30 EHEDHN CC[C@H](CC#N)NC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178593155 1133179658 /nfs/dbraw/zinc/17/96/58/1133179658.db2.gz KJVWCPXGDIFCCQ-HXUWFJFHSA-N 0 3 347.462 3.516 20 30 EHEDHN C=CC(C)(C)NCc1cc(Br)cc(Br)c1N ZINC001179758579 1133280622 /nfs/dbraw/zinc/28/06/22/1133280622.db2.gz JSXKTLMKCHGLGT-UHFFFAOYSA-N 0 3 348.082 3.848 20 30 EHEDHN C[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C ZINC000769770982 1133339911 /nfs/dbraw/zinc/33/99/11/1133339911.db2.gz QCDGDUSAFYXDSQ-LJQANCHMSA-N 0 3 333.479 3.522 20 30 EHEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000772347285 1133677316 /nfs/dbraw/zinc/67/73/16/1133677316.db2.gz QGCJKAKIKQHRDC-BFHYXJOUSA-N 0 3 327.453 3.735 20 30 EHEDHN C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1 ZINC001182799432 1133730143 /nfs/dbraw/zinc/73/01/43/1133730143.db2.gz NLBQDZTZPQYNGT-DYESRHJHSA-N 0 3 347.462 3.615 20 30 EHEDHN N#Cc1ccc(F)c(COC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000785721783 1133741880 /nfs/dbraw/zinc/74/18/80/1133741880.db2.gz RKARGFBHKUUHJP-UHFFFAOYSA-N 0 3 338.382 3.650 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC(C)(C)c2ccccc2)c1 ZINC000786548384 1133873748 /nfs/dbraw/zinc/87/37/48/1133873748.db2.gz KPPBVXBUQHBHBN-IBGZPJMESA-N 0 3 348.446 3.688 20 30 EHEDHN C[C@H](OC(=O)CCN1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000786826101 1133904905 /nfs/dbraw/zinc/90/49/05/1133904905.db2.gz PNYOANMNIWVKLU-INIZCTEOSA-N 0 3 334.419 3.611 20 30 EHEDHN CCCCN(CC#N)C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184404882 1133935728 /nfs/dbraw/zinc/93/57/28/1133935728.db2.gz XGHPYYZMLDPWEZ-KRWDZBQOSA-N 0 3 347.890 3.704 20 30 EHEDHN CC1(C)OCc2cc(CN[C@@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000787336167 1133998138 /nfs/dbraw/zinc/99/81/38/1133998138.db2.gz ZWJBJUUTEDCNBE-LJQANCHMSA-N 0 3 334.419 3.980 20 30 EHEDHN COCCN(Cn1ccc(-c2ccc(C#N)cc2)n1)[C@@H]1CC[C@H](C)C1 ZINC000790475612 1134422167 /nfs/dbraw/zinc/42/21/67/1134422167.db2.gz BLNGZTJTOWXNFD-QFBILLFUSA-N 0 3 338.455 3.516 20 30 EHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001191134510 1134809279 /nfs/dbraw/zinc/80/92/79/1134809279.db2.gz YVRXRDNIOHUGIE-FDYSRKEFSA-N 0 3 333.520 3.984 20 30 EHEDHN N#CC(C(=O)C[C@@H]1CSCCS1)c1ccc2ccccc2n1 ZINC000752473339 1134849796 /nfs/dbraw/zinc/84/97/96/1134849796.db2.gz FZZFNJXQOFAGOL-ZIAGYGMSSA-N 0 3 328.462 3.650 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCC(=O)c4ccccc43)nc21 ZINC000793153417 1134864564 /nfs/dbraw/zinc/86/45/64/1134864564.db2.gz DRCVDPWDXZZWMF-HOTGVXAUSA-N 0 3 343.386 3.808 20 30 EHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CCC(=O)c4ccccc43)[nH]c21 ZINC000793153417 1134864573 /nfs/dbraw/zinc/86/45/73/1134864573.db2.gz DRCVDPWDXZZWMF-HOTGVXAUSA-N 0 3 343.386 3.808 20 30 EHEDHN COc1ccc(O)c(/C=N/C[C@@H](c2cccs2)N2CCCC2)c1 ZINC000005293067 1134921353 /nfs/dbraw/zinc/92/13/53/1134921353.db2.gz OGOGLKVXSCULMV-QUYZQLMHSA-N 0 3 330.453 3.718 20 30 EHEDHN CC(C)(C)[C@@H](NCn1cc2c(c(C#N)c1=O)CCCC2)c1ccccc1 ZINC000793483032 1134939345 /nfs/dbraw/zinc/93/93/45/1134939345.db2.gz JMRPVPRMSCNVCN-FQEVSTJZSA-N 0 3 349.478 3.933 20 30 EHEDHN CCc1ccc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC001192698872 1135046599 /nfs/dbraw/zinc/04/65/99/1135046599.db2.gz MOWWYWQSEDFBLN-HRAATJIYSA-N 0 3 347.462 3.967 20 30 EHEDHN N#Cc1cccc(CN2CCC[C@H](Cn3cnc4ccccc43)C2)c1F ZINC001193509159 1135148229 /nfs/dbraw/zinc/14/82/29/1135148229.db2.gz VXWCUZAMYKEQFS-INIZCTEOSA-N 0 3 348.425 3.959 20 30 EHEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000775654069 1135423595 /nfs/dbraw/zinc/42/35/95/1135423595.db2.gz JSOGCYCCVNHYAT-HNNXBMFYSA-N 0 3 347.462 3.857 20 30 EHEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000775654070 1135424030 /nfs/dbraw/zinc/42/40/30/1135424030.db2.gz JSOGCYCCVNHYAT-OAHLLOKOSA-N 0 3 347.462 3.857 20 30 EHEDHN COc1cccc([C@H](CNc2nc3ccccc3cc2C#N)N(C)C)c1 ZINC000747326907 1135436127 /nfs/dbraw/zinc/43/61/27/1135436127.db2.gz OCJZGFRGYDHWDR-FQEVSTJZSA-N 0 3 346.434 3.830 20 30 EHEDHN C#CC[C@H](NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000807029819 1135513830 /nfs/dbraw/zinc/51/38/30/1135513830.db2.gz HKAQGZDUKSGORH-YYWHXJBOSA-N 0 3 349.478 3.742 20 30 EHEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000775783811 1135724744 /nfs/dbraw/zinc/72/47/44/1135724744.db2.gz VPDIGEQSNLMSIX-LPHOPBHVSA-N 0 3 327.472 3.671 20 30 EHEDHN OC1(C2(CNCC#Cc3ccc(C(F)(F)F)cc3)CCC2)CCC1 ZINC001197682600 1135725147 /nfs/dbraw/zinc/72/51/47/1135725147.db2.gz QPRMGQAKSIQAIM-UHFFFAOYSA-N 0 3 337.385 3.732 20 30 EHEDHN C#CCN(C[C@H](O)COCc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001198104023 1135776285 /nfs/dbraw/zinc/77/62/85/1135776285.db2.gz LPHOTJHBQWDKNW-JTHBVZDNSA-N 0 3 349.474 3.577 20 30 EHEDHN N#C[C@H]1CC[C@@H](COC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000809088766 1135776672 /nfs/dbraw/zinc/77/66/72/1135776672.db2.gz BIHXRCDSKQIRDV-IZAXUBKRSA-N 0 3 340.467 3.772 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000809604208 1135861447 /nfs/dbraw/zinc/86/14/47/1135861447.db2.gz OYKBQSLXRLCQOB-UHFFFAOYSA-N 0 3 330.387 3.803 20 30 EHEDHN CCCCCCCN1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001201762753 1136061001 /nfs/dbraw/zinc/06/10/01/1136061001.db2.gz SUVQRWCINVEGKS-GOSISDBHSA-N 0 3 342.487 3.759 20 30 EHEDHN CCCCCCCCN1C[C@@H]2[C@H](C1)OCCN2Cc1c(C)noc1C ZINC001201813017 1136065216 /nfs/dbraw/zinc/06/52/16/1136065216.db2.gz AKDIJRCIAMYEQV-UXHICEINSA-N 0 3 349.519 3.537 20 30 EHEDHN CCCCCCCCCCS(=O)(=O)NC1CCN(CCC)CC1 ZINC001201837917 1136069308 /nfs/dbraw/zinc/06/93/08/1136069308.db2.gz BNSPVQRVPXGPPG-UHFFFAOYSA-N 0 3 346.581 3.921 20 30 EHEDHN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2SC(=O)C=C2C1 ZINC001202293164 1136124433 /nfs/dbraw/zinc/12/44/33/1136124433.db2.gz RWOQWTKAPJYDQO-LBPRGKRZSA-N 0 3 342.342 3.511 20 30 EHEDHN C=CCc1cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)c(OC)c1 ZINC000811776533 1136134000 /nfs/dbraw/zinc/13/40/00/1136134000.db2.gz DMZXNMDYQMAOAA-APWZRJJASA-N 0 3 331.456 3.519 20 30 EHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc2c(C#N)nccc2c1 ZINC001170686660 1136248088 /nfs/dbraw/zinc/24/80/88/1136248088.db2.gz YBXKNAZVIYITPW-AWEZNQCLSA-N 0 3 339.402 3.979 20 30 EHEDHN CC(C)[C@H](O)[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 ZINC000850394892 1136248518 /nfs/dbraw/zinc/24/85/18/1136248518.db2.gz HOKUOSKYSQHZNE-CZAAIQMYSA-N 0 3 338.451 3.825 20 30 EHEDHN CC(C)(CCC#N)CNCc1c(F)ccc(C2OCCO2)c1Cl ZINC000812855394 1136263323 /nfs/dbraw/zinc/26/33/23/1136263323.db2.gz KUFSKPNEWMKTMX-UHFFFAOYSA-N 0 3 340.826 3.944 20 30 EHEDHN N#CC(C(=O)C=C1CCSCC1)c1cc(C(F)(F)F)ccn1 ZINC000813211811 1136303266 /nfs/dbraw/zinc/30/32/66/1136303266.db2.gz QWJLHSNTPYVFCE-GFCCVEGCSA-N 0 3 326.343 3.730 20 30 EHEDHN Cc1cc(C(=O)O[C@H](c2ccccc2)[C@H](C)N2CCCC2)ncc1C#N ZINC000851133478 1136340729 /nfs/dbraw/zinc/34/07/29/1136340729.db2.gz AQGWHWXFDWHDSR-JXFKEZNVSA-N 0 3 349.434 3.644 20 30 EHEDHN Cn1nc(Br)cc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000814304374 1136439005 /nfs/dbraw/zinc/43/90/05/1136439005.db2.gz KYMMPEXPFCSEBZ-HNNXBMFYSA-N 0 3 347.260 3.707 20 30 EHEDHN COc1ccc([C@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)cc1F ZINC000852521355 1136462259 /nfs/dbraw/zinc/46/22/59/1136462259.db2.gz OAPRZCOZCZMRLN-MOPGFXCFSA-N 0 3 340.398 3.576 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000776797585 1136672897 /nfs/dbraw/zinc/67/28/97/1136672897.db2.gz IOMYCEUTESAPKJ-YJBOKZPZSA-N 0 3 343.471 3.602 20 30 EHEDHN CC[C@H](C#N)Oc1cc(CNCc2cccc(F)c2)ccc1OC ZINC000113348167 1136697508 /nfs/dbraw/zinc/69/75/08/1136697508.db2.gz JTZJXZAVBMCYGI-QGZVFWFLSA-N 0 3 328.387 3.805 20 30 EHEDHN C[C@H]1[C@H](OC(=O)c2cccc(C#N)c2)CCCN1Cc1ccccc1 ZINC000816468584 1136719787 /nfs/dbraw/zinc/71/97/87/1136719787.db2.gz JVKIRBYAUQKZIJ-OXJNMPFZSA-N 0 3 334.419 3.768 20 30 EHEDHN CCOc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)ccc1OC ZINC000114505370 1136799419 /nfs/dbraw/zinc/79/94/19/1136799419.db2.gz GLGQMELUOQYHTM-OAHLLOKOSA-N 0 3 340.423 3.675 20 30 EHEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000818347502 1136870278 /nfs/dbraw/zinc/87/02/78/1136870278.db2.gz RKEMXXXNXBLNSC-HUBLWGQQSA-N 0 3 340.261 3.705 20 30 EHEDHN C=CC[C@H](NCc1c(C)[nH]c(C(=O)OCC)c1C)c1ccncc1 ZINC000858139186 1136943165 /nfs/dbraw/zinc/94/31/65/1136943165.db2.gz QMCQDJOPAPHPSK-KRWDZBQOSA-N 0 3 327.428 3.610 20 30 EHEDHN Cc1ccc(CN2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc1C#N ZINC000859204404 1137007623 /nfs/dbraw/zinc/00/76/23/1137007623.db2.gz HIIPWOQTTJXPPD-WBVHZDCISA-N 0 3 343.471 3.602 20 30 EHEDHN C[C@@H](CN(C)Cc1ccc(C(C)(C)C#N)cc1)NC(=O)OC(C)(C)C ZINC000860097691 1137043944 /nfs/dbraw/zinc/04/39/44/1137043944.db2.gz VONKLQALWPADOE-HNNXBMFYSA-N 0 3 345.487 3.833 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/C1CCCCC1 ZINC000117610372 1137068255 /nfs/dbraw/zinc/06/82/55/1137068255.db2.gz KKJGMMGMFZOLPW-OUKQBFOZSA-N 0 3 339.483 3.585 20 30 EHEDHN CC1(C)[C@@]2(C)CC[C@]1(C(=O)C(C#N)c1nccc3ccccc31)OC2=O ZINC000860703005 1137073928 /nfs/dbraw/zinc/07/39/28/1137073928.db2.gz VUOXKIKYSPUWKH-ONGXBYRLSA-N 0 3 348.402 3.533 20 30 EHEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H](C)C1 ZINC000823510079 1137104094 /nfs/dbraw/zinc/10/40/94/1137104094.db2.gz WCQZGXKUOYOKTE-MCIONIFRSA-N 0 3 327.453 3.593 20 30 EHEDHN C#CC[C@@H]1CCN(Cc2nc3ccc(Br)cc3s2)C1 ZINC000862445132 1137144981 /nfs/dbraw/zinc/14/49/81/1137144981.db2.gz MKPWPPZCFPZIEB-LLVKDONJSA-N 0 3 335.270 3.904 20 30 EHEDHN COC(=O)C1(C#N)CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000824871393 1137156709 /nfs/dbraw/zinc/15/67/09/1137156709.db2.gz FEKUBSSLDNCMTM-UHFFFAOYSA-N 0 3 348.446 3.597 20 30 EHEDHN CC[C@@H](OCCN(C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844370105 1137212794 /nfs/dbraw/zinc/21/27/94/1137212794.db2.gz WEXWEACQXMHGIJ-NHCUHLMSSA-N 0 3 338.451 3.691 20 30 EHEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(Br)cc3)C2)nc1 ZINC001144163128 1137246771 /nfs/dbraw/zinc/24/67/71/1137246771.db2.gz OHFKSNCRUADIJF-HNNXBMFYSA-N 0 3 342.240 3.705 20 30 EHEDHN C=CC[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccncc1 ZINC000865463874 1137286020 /nfs/dbraw/zinc/28/60/20/1137286020.db2.gz FCPQFLIVEXOZOA-HXUWFJFHSA-N 0 3 335.451 3.725 20 30 EHEDHN COC(=O)C=Cc1ccc(NC(=N)c2ccc3cc(O)ccc3c2)cc1 ZINC001171184796 1137294271 /nfs/dbraw/zinc/29/42/71/1137294271.db2.gz APAYCSMGUPGGBV-WCIBSUBMSA-N 0 3 346.386 3.769 20 30 EHEDHN N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)C1C[C@]1(F)c1ccccc1 ZINC000845842372 1137315408 /nfs/dbraw/zinc/31/54/08/1137315408.db2.gz FSKYHMWQCRZOGR-FGSXEWAUSA-N 0 3 347.389 3.881 20 30 EHEDHN N#Cc1cccc(CN2CCC([NH2+][C@H]3CCc4cccc([O-])c43)CC2)c1 ZINC000846210840 1137339794 /nfs/dbraw/zinc/33/97/94/1137339794.db2.gz APASNOUCMJDKMJ-FQEVSTJZSA-N 0 3 347.462 3.505 20 30 EHEDHN COc1cccc2c1OCCC[C@H]2NCc1ccc(OCC#N)cc1 ZINC000866294254 1137343162 /nfs/dbraw/zinc/34/31/62/1137343162.db2.gz FZJQVACDROJBKB-GOSISDBHSA-N 0 3 338.407 3.601 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001171221899 1137348148 /nfs/dbraw/zinc/34/81/48/1137348148.db2.gz WTVKLUZHJQKYHU-KSSFIOAISA-N 0 3 342.389 3.921 20 30 EHEDHN Cc1nn(-c2ccccc2)c(N)c1C=NN1CCC(C(C)(C)C)CC1 ZINC000794939508 1137368074 /nfs/dbraw/zinc/36/80/74/1137368074.db2.gz JYBDOLIQMWUZAS-UHFFFAOYSA-N 0 3 339.487 3.855 20 30 EHEDHN CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000839825103 1137397975 /nfs/dbraw/zinc/39/79/75/1137397975.db2.gz WPAOBBDLHBICHQ-QGZVFWFLSA-N 0 3 337.439 3.797 20 30 EHEDHN C[C@H](C#N)c1cccc(C(=O)N(C)CCN(C)Cc2ccccc2)c1 ZINC001148614992 1137429469 /nfs/dbraw/zinc/42/94/69/1137429469.db2.gz HNPXSRIQURTNTQ-QGZVFWFLSA-N 0 3 335.451 3.518 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cn(Cc2ccccc2)cn1 ZINC001172300172 1137549232 /nfs/dbraw/zinc/54/92/32/1137549232.db2.gz SEHPKGUBZAMLRT-QGZVFWFLSA-N 0 3 330.435 3.524 20 30 EHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cn(Cc2ccccc2F)cn1 ZINC001172300261 1137549401 /nfs/dbraw/zinc/54/94/01/1137549401.db2.gz UIXKFYLMRQXWRR-MRXNPFEDSA-N 0 3 348.425 3.663 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@](C)(O)c2cc(C)oc2C)c([O-])c1 ZINC000125141014 1137622074 /nfs/dbraw/zinc/62/20/74/1137622074.db2.gz HSULNFWIQOIYHH-BCVDLATCSA-N 0 3 344.455 3.775 20 30 EHEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3ccc4nccnc4c3)C2)cc1 ZINC001137092565 1137637218 /nfs/dbraw/zinc/63/72/18/1137637218.db2.gz YMQBUNWUKUDWSU-IBGZPJMESA-N 0 3 344.418 3.545 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000876685587 1137658989 /nfs/dbraw/zinc/65/89/89/1137658989.db2.gz SMTNEZJDBYQBIC-JUTUQKRISA-N 0 3 327.255 3.623 20 30 EHEDHN COc1ccccc1C(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000876990443 1137667135 /nfs/dbraw/zinc/66/71/35/1137667135.db2.gz CDRACYMMMFFRHA-UHFFFAOYSA-N 0 3 329.831 3.683 20 30 EHEDHN C#C[C@@H](NCCCP(=O)(OCC)OCC)c1ccc(F)cc1 ZINC000877544641 1137680623 /nfs/dbraw/zinc/68/06/23/1137680623.db2.gz SSXNRAIWHYKKEW-MRXNPFEDSA-N 0 3 327.336 3.746 20 30 EHEDHN CC(C)Cn1cc([C@H]2N(C[C@H](C)CCC#N)CC23CCOCC3)cn1 ZINC000877632601 1137683657 /nfs/dbraw/zinc/68/36/57/1137683657.db2.gz GUPWWWNMBXXBLK-IEBWSBKVSA-N 0 3 344.503 3.632 20 30 EHEDHN CC(=O)[C@@](C#N)(CCN1CCCc2ccccc2C1)c1ccccc1 ZINC000878084776 1137701661 /nfs/dbraw/zinc/70/16/61/1137701661.db2.gz KQWOVVJYIWKEKE-QFIPXVFZSA-N 0 3 332.447 3.875 20 30 EHEDHN CS[C@@H]1CCCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878287024 1137709881 /nfs/dbraw/zinc/70/98/81/1137709881.db2.gz PPVRFTRHPGZCLN-MOPGFXCFSA-N 0 3 330.497 3.645 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552487 1137750565 /nfs/dbraw/zinc/75/05/65/1137750565.db2.gz ZQWBLBMVSOKESR-UHFFFAOYSA-N 0 3 336.439 3.897 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879920046 1137762516 /nfs/dbraw/zinc/76/25/16/1137762516.db2.gz VUMHXLPXKLGNDS-INIZCTEOSA-N 0 3 338.455 3.793 20 30 EHEDHN COc1ccc(C#N)cc1CN1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879920046 1137762517 /nfs/dbraw/zinc/76/25/17/1137762517.db2.gz VUMHXLPXKLGNDS-INIZCTEOSA-N 0 3 338.455 3.793 20 30 EHEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000119296547 1137940214 /nfs/dbraw/zinc/94/02/14/1137940214.db2.gz DTZKJSZBPQWHPW-ZDUSSCGKSA-N 0 3 341.846 3.639 20 30 EHEDHN Cc1ccc([C@H]2CSCCN2C[C@H](O)CC2(C#N)CCC2)cc1 ZINC000886012614 1138032255 /nfs/dbraw/zinc/03/22/55/1138032255.db2.gz LGFLUPZOKPTXGD-QZTJIDSGSA-N 0 3 330.497 3.530 20 30 EHEDHN Cc1ccc([C@@H]2CSCCN2C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC000886012615 1138032357 /nfs/dbraw/zinc/03/23/57/1138032357.db2.gz LGFLUPZOKPTXGD-ROUUACIJSA-N 0 3 330.497 3.530 20 30 EHEDHN N#CC1(C[C@@H](O)CN[C@H](c2ccccc2)c2ccc(F)cc2)CCC1 ZINC000886065723 1138037575 /nfs/dbraw/zinc/03/75/75/1138037575.db2.gz VOBXJHNAGZKBIT-WOJBJXKFSA-N 0 3 338.426 3.950 20 30 EHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](c2cnn(C)c2)C(C)C)c1 ZINC000886547477 1138094282 /nfs/dbraw/zinc/09/42/82/1138094282.db2.gz MAOUAFWYSQHGPC-HKUYNNGSSA-N 0 3 326.444 3.588 20 30 EHEDHN FC(F)C(F)(F)COCCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617256 1138102507 /nfs/dbraw/zinc/10/25/07/1138102507.db2.gz IOKBOXFMDQESFZ-ONGXEEELSA-N 0 3 337.279 3.568 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cccc(-c3nccs3)c2)CC1 ZINC000264365623 1138489689 /nfs/dbraw/zinc/48/96/89/1138489689.db2.gz PSSKJNCCRRSEGZ-UHFFFAOYSA-N 0 3 342.468 3.582 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(F)cc2)C(C)C)CC1 ZINC000264367122 1138490129 /nfs/dbraw/zinc/49/01/29/1138490129.db2.gz ITYLWUPFXAOCGP-UHFFFAOYSA-N 0 3 347.478 3.786 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(Cl)cc2)CC1 ZINC000264411983 1138505054 /nfs/dbraw/zinc/50/50/54/1138505054.db2.gz TYXWXBXNLZZOFC-UHFFFAOYSA-N 0 3 335.879 3.522 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cccc(SC(F)(F)F)c2)CC1 ZINC000826656219 1139252072 /nfs/dbraw/zinc/25/20/72/1139252072.db2.gz JCNANYGRLBKQAW-UHFFFAOYSA-N 0 3 344.402 3.679 20 30 EHEDHN Cc1ccc(Cl)cc1N1CC[C@H](CNCc2ccc(C#N)o2)C1 ZINC000174336120 1139415347 /nfs/dbraw/zinc/41/53/47/1139415347.db2.gz DDILXVXJZORTQX-CQSZACIVSA-N 0 3 329.831 3.729 20 30 EHEDHN C=CCN1CCC(NC(=O)N(CC)[C@H](CC)Cc2ccccc2)CC1 ZINC000177820774 1139644774 /nfs/dbraw/zinc/64/47/74/1139644774.db2.gz GCBBLAKYMWTNMR-HXUWFJFHSA-N 0 3 343.515 3.690 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc(CCC(F)(F)F)cc2)CC1 ZINC000178540914 1139702627 /nfs/dbraw/zinc/70/26/27/1139702627.db2.gz ZWYQWWLUBXYMPF-UHFFFAOYSA-N 0 3 340.389 3.562 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000188000575 1140279602 /nfs/dbraw/zinc/27/96/02/1140279602.db2.gz CDSOJVHGVCYQDW-OAHLLOKOSA-N 0 3 341.455 3.834 20 30 EHEDHN Fc1ccc(CCN2CCC(=NOCCC(F)(F)F)CC2)cc1 ZINC000777461023 1140395664 /nfs/dbraw/zinc/39/56/64/1140395664.db2.gz RUZPNHSDSXGSCL-UHFFFAOYSA-N 0 3 332.341 3.789 20 30 EHEDHN CCc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190633065 1140412480 /nfs/dbraw/zinc/41/24/80/1140412480.db2.gz WUPJCXFCJQODSI-IIBYNOLFSA-N 0 3 347.462 3.572 20 30 EHEDHN C=CCC(CC=C)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000268629744 1140964618 /nfs/dbraw/zinc/96/46/18/1140964618.db2.gz DNZJQOBRDXATRK-UHFFFAOYSA-N 0 3 342.483 3.598 20 30 EHEDHN C=CC[C@H](C)[C@@H](C)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000269063039 1141058374 /nfs/dbraw/zinc/05/83/74/1141058374.db2.gz KQLSVFDMFGIWHF-LSDHHAIUSA-N 0 3 343.496 3.763 20 30 EHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000270156634 1141186357 /nfs/dbraw/zinc/18/63/57/1141186357.db2.gz SVCGSUGQDBFUQS-CMJOXMDJSA-N 0 3 329.465 3.840 20 30 EHEDHN COc1cccc([C@H](CNc2c(Cl)cccc2C#N)N(C)C)c1 ZINC000078601762 217084419 /nfs/dbraw/zinc/08/44/19/217084419.db2.gz IVRLBSDIEPVKTO-KRWDZBQOSA-N 0 3 329.831 3.935 20 30 EHEDHN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000067948664 526576172 /nfs/dbraw/zinc/57/61/72/526576172.db2.gz SXOZCILVORPPRW-INIZCTEOSA-N 0 3 342.424 3.777 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000274699590 1014574077 /nfs/dbraw/zinc/57/40/77/1014574077.db2.gz NKRGVINMGMGLGJ-HNAYVOBHSA-N 0 3 336.439 3.680 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177557417 1016379191 /nfs/dbraw/zinc/37/91/91/1016379191.db2.gz IHVXXIFLBJQLEJ-ZACQAIPSSA-N 0 3 343.446 3.583 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000109800907 1016390601 /nfs/dbraw/zinc/39/06/01/1016390601.db2.gz ANSCTPVAJJVLOA-UXHICEINSA-N 0 3 327.472 3.562 20 30 EHEDHN CC[C@](C)(O)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000189722162 1016700674 /nfs/dbraw/zinc/70/06/74/1016700674.db2.gz METOTJGCCDRREM-FQEVSTJZSA-N 0 3 326.415 3.861 20 30 EHEDHN CCC(C)(C)N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000510250635 1016733390 /nfs/dbraw/zinc/73/33/90/1016733390.db2.gz WJSPCEAKATWZSL-UHFFFAOYSA-N 0 3 333.501 3.948 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CCC(C)(C)CO3)nc21 ZINC000892705109 1016927458 /nfs/dbraw/zinc/92/74/58/1016927458.db2.gz OIWDBQBTTARXLQ-ZIAGYGMSSA-N 0 3 325.412 3.643 20 30 EHEDHN Cc1cccc([C@H](NCC(=O)NCc2cccc(C#N)c2)C(C)(C)C)c1 ZINC000538238511 1032231690 /nfs/dbraw/zinc/23/16/90/1032231690.db2.gz YVSACKYGIPLBSO-NRFANRHFSA-N 0 3 349.478 3.860 20 30 EHEDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000537016881 1032472384 /nfs/dbraw/zinc/47/23/84/1032472384.db2.gz YPVQDXUFNDEBKB-NRFANRHFSA-N 0 3 347.462 3.716 20 30 EHEDHN C=CCCCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000584416024 1032477262 /nfs/dbraw/zinc/47/72/62/1032477262.db2.gz IFMMTXHKSCNZAB-QGZVFWFLSA-N 0 3 336.426 3.616 20 30 EHEDHN Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3cccc(C#N)c3)cn2)n1 ZINC000181525800 1017105513 /nfs/dbraw/zinc/10/55/13/1017105513.db2.gz DOGSXKKVRPIDSP-INIZCTEOSA-N 0 3 331.423 3.607 20 30 EHEDHN C=C(C)COc1cc(CN2CC[C@H](OCC)[C@@H](C)C2)ccc1OC ZINC000449502831 1032682083 /nfs/dbraw/zinc/68/20/83/1032682083.db2.gz XBMYEHQVCTYGLE-WMZOPIPTSA-N 0 3 333.472 3.897 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000449547580 1032763467 /nfs/dbraw/zinc/76/34/67/1032763467.db2.gz IWAZNWXQWQXOAV-MSOLQXFVSA-N 0 3 341.407 3.556 20 30 EHEDHN N#Cc1csc(CNCc2ccc(COCC(F)(F)F)cc2)c1 ZINC000177683952 1018462650 /nfs/dbraw/zinc/46/26/50/1018462650.db2.gz QDMPBJXPCNPKFB-UHFFFAOYSA-N 0 3 340.370 3.988 20 30 EHEDHN CCN(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000593073042 1032769158 /nfs/dbraw/zinc/76/91/58/1032769158.db2.gz OEAHBCIDVKVVAP-GJZGRUSLSA-N 0 3 340.345 3.659 20 30 EHEDHN C[C@@H](N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000592404839 1032777543 /nfs/dbraw/zinc/77/75/43/1032777543.db2.gz YAIXNCSUJLNCIW-VHDGCEQUSA-N 0 3 332.419 3.858 20 30 EHEDHN COC(=O)CCCN(Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000614402927 1018980418 /nfs/dbraw/zinc/98/04/18/1018980418.db2.gz ZPAJLLHCBBRGCB-UHFFFAOYSA-N 0 3 336.435 3.822 20 30 EHEDHN CCN(CC)[C@@H](CNC(=O)c1cccc(CC#N)c1)c1ccsc1 ZINC000052877798 1019362899 /nfs/dbraw/zinc/36/28/99/1019362899.db2.gz MZUHHLFJNWEWNN-SFHVURJKSA-N 0 3 341.480 3.627 20 30 EHEDHN C=CCC[C@@H](NCCNC(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000513661835 1019929888 /nfs/dbraw/zinc/92/98/88/1019929888.db2.gz QZXUUXUSIZTHHI-MRXNPFEDSA-N 0 3 332.831 3.960 20 30 EHEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000126480533 1020728048 /nfs/dbraw/zinc/72/80/48/1020728048.db2.gz RGTUXJABFQLFKN-GOSISDBHSA-N 0 3 347.462 3.603 20 30 EHEDHN N#Cc1cccc(CNC[C@@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000602499589 1032926525 /nfs/dbraw/zinc/92/65/25/1032926525.db2.gz QNRBDLTZTJWGKO-IBGZPJMESA-N 0 3 340.858 3.533 20 30 EHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(C)cc2Br)CCC1 ZINC000933300643 1021066136 /nfs/dbraw/zinc/06/61/36/1021066136.db2.gz BJUZCWPCBVAXEJ-ZDUSSCGKSA-N 0 3 349.272 3.620 20 30 EHEDHN Cc1cccc([C@H](C)N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000518426798 1021174473 /nfs/dbraw/zinc/17/44/73/1021174473.db2.gz LXOVXHRCEQNCMJ-JXFKEZNVSA-N 0 3 333.435 3.631 20 30 EHEDHN C=CCOCCNCc1ccc(Br)cc1C(F)(F)F ZINC000684392902 1021556390 /nfs/dbraw/zinc/55/63/90/1021556390.db2.gz ADIBKOHTLRKHOJ-UHFFFAOYSA-N 0 3 338.167 3.760 20 30 EHEDHN CC(C)[C@@H](NC1CCC(C#N)CC1)c1nc(-c2ccncc2)no1 ZINC000602591661 1032990529 /nfs/dbraw/zinc/99/05/29/1032990529.db2.gz BPFVXJKGHWBTMW-AVVWSFFYSA-N 0 3 325.416 3.501 20 30 EHEDHN CCOc1cc(Cl)ccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602581763 1033001957 /nfs/dbraw/zinc/00/19/57/1033001957.db2.gz KVMBDXPGBQACKX-CQSZACIVSA-N 0 3 336.863 3.927 20 30 EHEDHN CN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000516955951 1021892554 /nfs/dbraw/zinc/89/25/54/1021892554.db2.gz SVLGBHKXLXYJRH-RBUKOAKNSA-N 0 3 339.483 3.597 20 30 EHEDHN CCOc1cc(CNCc2ccc(CC#N)cc2)cc(Cl)c1O ZINC000517148084 1022073033 /nfs/dbraw/zinc/07/30/33/1022073033.db2.gz BBIASDGXRJQHMF-UHFFFAOYSA-N 0 3 330.815 3.800 20 30 EHEDHN CC1(C)CC[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000602613292 1033029474 /nfs/dbraw/zinc/02/94/74/1033029474.db2.gz PUOCUMQGBCFINM-QYZOEREBSA-N 0 3 341.499 3.876 20 30 EHEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441374673 1022195186 /nfs/dbraw/zinc/19/51/86/1022195186.db2.gz GEMRLYKCLRBEJE-UXHICEINSA-N 0 3 326.484 3.764 20 30 EHEDHN CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)C ZINC000728917391 1033044167 /nfs/dbraw/zinc/04/41/67/1033044167.db2.gz BRJLNWMSYUIVSY-AWEZNQCLSA-N 0 3 329.469 3.841 20 30 EHEDHN COC(=O)c1c[nH]c(CN[C@H]2CCCc3cc(C#N)ccc32)c1C1CC1 ZINC000894964747 1022296966 /nfs/dbraw/zinc/29/69/66/1022296966.db2.gz XJHSERKHWNSMJY-SFHVURJKSA-N 0 3 349.434 3.718 20 30 EHEDHN C=CCCO[C@H](C)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894983889 1022353489 /nfs/dbraw/zinc/35/34/89/1022353489.db2.gz SZLNRSCCTKBSAN-GFCCVEGCSA-N 0 3 344.377 3.687 20 30 EHEDHN CC[C@H](O)[C@@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438110726 1022395843 /nfs/dbraw/zinc/39/58/43/1022395843.db2.gz RFVCSGDMBCKQJT-IRXDYDNUSA-N 0 3 341.373 3.562 20 30 EHEDHN CC1(C)CCCN(CCNC(=O)c2cc(O)ccc2C(F)(F)F)C1 ZINC000330432285 1022584609 /nfs/dbraw/zinc/58/46/09/1022584609.db2.gz OBACJWLSNKTKPZ-UHFFFAOYSA-N 0 3 344.377 3.838 20 30 EHEDHN N#CCC[C@@H](C#N)CNCCc1c[nH]c2ccc(Br)cc12 ZINC000518435258 1022656174 /nfs/dbraw/zinc/65/61/74/1022656174.db2.gz YOKCPBWYQKGLNZ-LBPRGKRZSA-N 0 3 345.244 3.506 20 30 EHEDHN N#CC[C@@H]1CC[C@H](NCc2nc3cc(Br)ccc3o2)C1 ZINC000602679995 1033081226 /nfs/dbraw/zinc/08/12/26/1033081226.db2.gz MZXWYKGCVHHCCC-JQWIXIFHSA-N 0 3 334.217 3.762 20 30 EHEDHN O=C1C=C2CN(Cc3cc(F)c(Cl)cc3Cl)CCC2S1 ZINC001232703393 1033108386 /nfs/dbraw/zinc/10/83/86/1033108386.db2.gz SSHHCCRECLQYTQ-ZDUSSCGKSA-N 0 3 332.227 3.907 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)CC1 ZINC000507182395 1023168643 /nfs/dbraw/zinc/16/86/43/1023168643.db2.gz PMCMLUJCHYRGNH-KUHUBIRLSA-N 0 3 347.890 3.525 20 30 EHEDHN N#Cc1ccccc1-c1ccc(CN2CCC(O)(C(F)F)CC2)cc1 ZINC000426273754 1023258379 /nfs/dbraw/zinc/25/83/79/1023258379.db2.gz JQIPNHCUHRYKJN-UHFFFAOYSA-N 0 3 342.389 3.817 20 30 EHEDHN CCC(CC)[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000536420642 1023260964 /nfs/dbraw/zinc/26/09/64/1023260964.db2.gz NOXOIUZJYVVMMH-MRXNPFEDSA-N 0 3 329.488 3.521 20 30 EHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccoc1)c1nccc2ccccc21 ZINC000434644816 1024233714 /nfs/dbraw/zinc/23/37/14/1024233714.db2.gz HKCDJUQZHHNHKZ-HNNXBMFYSA-N 0 3 328.331 3.708 20 30 EHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000329885437 1024235175 /nfs/dbraw/zinc/23/51/75/1024235175.db2.gz URAOPIDNIFFUNX-PVAVHDDUSA-N 0 3 329.444 3.678 20 30 EHEDHN CC(C)(C)OC(=O)NCc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000895313515 1024281619 /nfs/dbraw/zinc/28/16/19/1024281619.db2.gz IPBCUGHPDMCXGE-KRWDZBQOSA-N 0 3 343.471 3.837 20 30 EHEDHN CCc1ccc2c(c1)[C@H](CCNC(=O)[C@H]1CCCN1C1CC1)C(=O)N2 ZINC000330207254 1024355542 /nfs/dbraw/zinc/35/55/42/1024355542.db2.gz AEGNRMHSJPBJFO-MAUKXSAKSA-N 0 3 341.455 3.908 20 30 EHEDHN C=CCC[C@@H](NCC(=O)N1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000342210652 1024409370 /nfs/dbraw/zinc/40/93/70/1024409370.db2.gz SSYAKMRSRHZTBL-MRXNPFEDSA-N 0 3 340.389 3.925 20 30 EHEDHN C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C#N)c(F)c1 ZINC000346136495 1024464574 /nfs/dbraw/zinc/46/45/74/1024464574.db2.gz RALUXNKKRDWVAP-UONOGXRCSA-N 0 3 335.386 3.690 20 30 EHEDHN C[C@H]1CN(CCCOc2cccc3ccccc32)C[C@H](C)N1CC#N ZINC000602858512 1033212892 /nfs/dbraw/zinc/21/28/92/1033212892.db2.gz SMHPASMCYYQUEY-ROUUACIJSA-N 0 3 337.467 3.527 20 30 EHEDHN CC[C@H](C)N[C@@H](CNc1c(C#N)cccc1[N+](=O)[O-])c1ccco1 ZINC000425255026 1024521688 /nfs/dbraw/zinc/52/16/88/1024521688.db2.gz OISWZGKHGKUNOY-JSGCOSHPSA-N 0 3 328.372 3.601 20 30 EHEDHN COc1ccc(C[C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000179008824 1024522387 /nfs/dbraw/zinc/52/23/87/1024522387.db2.gz YOBHEAAEXVCIPR-BBRMVZONSA-N 0 3 334.375 3.891 20 30 EHEDHN C=CCn1cc(CNCCCCc2cccc(C(F)(F)F)c2)nn1 ZINC000425361398 1024846991 /nfs/dbraw/zinc/84/69/91/1024846991.db2.gz ZGNRPHCPCUGHFL-UHFFFAOYSA-N 0 3 338.377 3.595 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(OCCCC)c(OC)c2)CC1 ZINC000895835434 1024899659 /nfs/dbraw/zinc/89/96/59/1024899659.db2.gz GAFUJPMFYJZOER-UHFFFAOYSA-N 0 3 333.472 3.777 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000281389292 1024991088 /nfs/dbraw/zinc/99/10/88/1024991088.db2.gz USBFFIQCYAYYOQ-UHFFFAOYSA-N 0 3 346.233 3.904 20 30 EHEDHN N#CC1(CCN[C@H](c2ccncc2)C2(CO)CCC2)CCCCC1 ZINC000602903976 1033254560 /nfs/dbraw/zinc/25/45/60/1033254560.db2.gz UOYDQLWUJNFTQD-GOSISDBHSA-N 0 3 327.472 3.739 20 30 EHEDHN C=CCN(CC=C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000515290865 1025155615 /nfs/dbraw/zinc/15/56/15/1025155615.db2.gz JJVKGXMNOLQZEW-QGZVFWFLSA-N 0 3 347.528 3.905 20 30 EHEDHN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1CCOCC(F)(F)C(F)F ZINC000451149392 1025601960 /nfs/dbraw/zinc/60/19/60/1025601960.db2.gz SXAXWUOGIOQPJL-IVZWLZJFSA-N 0 3 339.295 3.955 20 30 EHEDHN Cc1c(C(=O)N[C@@H](C)C2=CCN(C)CC2)cnn1C1CCCCC1 ZINC000329318781 1025746839 /nfs/dbraw/zinc/74/68/39/1025746839.db2.gz IHNCYOMDRQXOEL-AWEZNQCLSA-N 0 3 330.476 3.652 20 30 EHEDHN CC[C@@H]1C[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC(=O)N1 ZINC000329423605 1025829988 /nfs/dbraw/zinc/82/99/88/1025829988.db2.gz IGPUPLAGUJTBDW-ZNMIVQPWSA-N 0 3 349.500 3.987 20 30 EHEDHN CC[C@@H]1CCCC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000474907111 1025843327 /nfs/dbraw/zinc/84/33/27/1025843327.db2.gz RXSLEMDDNUIJJS-UXHICEINSA-N 0 3 341.499 3.665 20 30 EHEDHN C=CCN(Cc1cc(Br)c2c(c1)OCCCO2)C1CC1 ZINC000350324845 1025848456 /nfs/dbraw/zinc/84/84/56/1025848456.db2.gz YDKNHGPELXIQDM-UHFFFAOYSA-N 0 3 338.245 3.761 20 30 EHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000522097732 1025970334 /nfs/dbraw/zinc/97/03/34/1025970334.db2.gz WWAJFQHCGFTDRS-WBVHZDCISA-N 0 3 332.875 3.718 20 30 EHEDHN C=CCCOCCCCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000425602578 1026012939 /nfs/dbraw/zinc/01/29/39/1026012939.db2.gz HYUQYPSJSFTANA-LJQANCHMSA-N 0 3 344.499 3.659 20 30 EHEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)o1 ZINC000478236671 1026031130 /nfs/dbraw/zinc/03/11/30/1026031130.db2.gz UNJMGEPFJBLJHJ-NSHDSACASA-N 0 3 336.222 3.827 20 30 EHEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c(F)c1 ZINC000478302145 1026070765 /nfs/dbraw/zinc/07/07/65/1026070765.db2.gz ZLLBHRCSBJZGEO-AWEZNQCLSA-N 0 3 347.796 3.858 20 30 EHEDHN CC(C)c1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051653211 1026134564 /nfs/dbraw/zinc/13/45/64/1026134564.db2.gz SRWWLTFIPMOMEI-SFHVURJKSA-N 0 3 326.440 3.510 20 30 EHEDHN C=CC[C@H](CO)NCc1ccccc1OCc1ccc(F)cc1F ZINC000657434231 1026299811 /nfs/dbraw/zinc/29/98/11/1026299811.db2.gz AWGVUWXQTIQDHK-QGZVFWFLSA-N 0 3 333.378 3.570 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2[C@@H](C)CCC2(C)C)c1C ZINC000452003985 1026444093 /nfs/dbraw/zinc/44/40/93/1026444093.db2.gz HACWCBOKZFEVIC-INIZCTEOSA-N 0 3 327.472 3.813 20 30 EHEDHN CC[C@H]1CCCC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000475322426 1026463968 /nfs/dbraw/zinc/46/39/68/1026463968.db2.gz OVVWGWCVDBPPRS-VQTJNVASSA-N 0 3 341.499 3.665 20 30 EHEDHN CC(C)C[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000342666944 1026653835 /nfs/dbraw/zinc/65/38/35/1026653835.db2.gz UKLXNWMOIZTNJM-MSOLQXFVSA-N 0 3 327.472 3.690 20 30 EHEDHN C=CC[C@@H](CC)NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000684929503 1026686618 /nfs/dbraw/zinc/68/66/18/1026686618.db2.gz MHKSYRAJMKSUPJ-PKOBYXMFSA-N 0 3 329.488 3.647 20 30 EHEDHN N#Cc1ccc(NC[C@H](c2ccccc2Cl)N2CCCC2)cn1 ZINC000531411048 1026889036 /nfs/dbraw/zinc/88/90/36/1026889036.db2.gz QEBPVXVPSSSBLQ-GOSISDBHSA-N 0 3 326.831 3.856 20 30 EHEDHN N#CC(C(=O)Cc1c(F)cccc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000176722854 1026914828 /nfs/dbraw/zinc/91/48/28/1026914828.db2.gz BYLZGHMIQSWIEC-CYBMUJFWSA-N 0 3 348.736 3.508 20 30 EHEDHN CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000272788395 1027116295 /nfs/dbraw/zinc/11/62/95/1027116295.db2.gz WLROIQYLESLYJM-GOSISDBHSA-N 0 3 333.476 3.966 20 30 EHEDHN C[C@@H]1CCN(c2ncc(C#N)cc2Cl)CCN1Cc1ccccc1 ZINC000078689202 1027504282 /nfs/dbraw/zinc/50/42/82/1027504282.db2.gz FWEOEBAHBXZNQE-OAHLLOKOSA-N 0 3 340.858 3.707 20 30 EHEDHN CN(C)[C@H](CNc1cc(C#N)ccn1)c1cccc(C(F)(F)F)c1 ZINC000342896314 1027990721 /nfs/dbraw/zinc/99/07/21/1027990721.db2.gz XWGARGXHDBTRJI-OAHLLOKOSA-N 0 3 334.345 3.687 20 30 EHEDHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000444766005 1028250377 /nfs/dbraw/zinc/25/03/77/1028250377.db2.gz GFBUOZYTUNNUND-QZTJIDSGSA-N 0 3 327.472 3.690 20 30 EHEDHN CC(C)[C@@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(F)cc1 ZINC000502550604 1028340117 /nfs/dbraw/zinc/34/01/17/1028340117.db2.gz KCBFLTUVTGSXGA-POZUXBRTSA-N 0 3 333.451 3.555 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H](CCO)CC2)c(C(F)(F)F)c1 ZINC000421404921 1028391903 /nfs/dbraw/zinc/39/19/03/1028391903.db2.gz ZPWPOTVTNNDYMU-CYBMUJFWSA-N 0 3 326.362 3.562 20 30 EHEDHN N#Cc1cccc(CNCc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000073449369 1028559551 /nfs/dbraw/zinc/55/95/51/1028559551.db2.gz VMXXXWFYPKPTDP-UHFFFAOYSA-N 0 3 331.375 3.693 20 30 EHEDHN CC(C)CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424099795 1028784549 /nfs/dbraw/zinc/78/45/49/1028784549.db2.gz WAXGEDFRGVRGDP-DLBZAZTESA-N 0 3 335.879 3.955 20 30 EHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000424090102 1028794571 /nfs/dbraw/zinc/79/45/71/1028794571.db2.gz JYOLNQCSPSSOLD-MSOLQXFVSA-N 0 3 341.842 3.567 20 30 EHEDHN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H](N)CCCC#N ZINC000424098474 1028799920 /nfs/dbraw/zinc/79/99/20/1028799920.db2.gz KYBACLBMUIOCBW-IINYFYTJSA-N 0 3 328.243 3.534 20 30 EHEDHN C=CCn1cc(CN[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)nn1 ZINC000424294158 1028935210 /nfs/dbraw/zinc/93/52/10/1028935210.db2.gz JXPIMHNKIKHJCT-DOTOQJQBSA-N 0 3 330.863 3.934 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(F)cc2C)CC1 ZINC000454556781 1029041328 /nfs/dbraw/zinc/04/13/28/1029041328.db2.gz ZERWSDONEXPETA-IBGZPJMESA-N 0 3 345.462 3.631 20 30 EHEDHN C=C(C)[C@@H](NC[C@@H](O)COCc1ccccc1)c1ccc(F)c(F)c1 ZINC000187774853 1029142600 /nfs/dbraw/zinc/14/26/00/1029142600.db2.gz PSOKOUQTDPFUOU-YLJYHZDGSA-N 0 3 347.405 3.749 20 30 EHEDHN C=CC1CCN([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000524484978 1029243312 /nfs/dbraw/zinc/24/33/12/1029243312.db2.gz MHGOLHXUJRZIJJ-CYBMUJFWSA-N 0 3 338.854 3.724 20 30 EHEDHN CCc1ccc([C@H](CNCc2ccc(C#N)cc2F)N(C)C)cc1 ZINC000533312169 1029595474 /nfs/dbraw/zinc/59/54/74/1029595474.db2.gz KZSWIWMRJYXTQA-FQEVSTJZSA-N 0 3 325.431 3.652 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](C(C)C)C2)c1C ZINC000446729851 1029776060 /nfs/dbraw/zinc/77/60/60/1029776060.db2.gz XIWJXKHJFIYFCY-SFHVURJKSA-N 0 3 327.472 3.528 20 30 EHEDHN COC(=O)c1cccc(CN2CC[C@@H](c3ccccc3)[C@@H]2C)c1C#N ZINC000533758074 1029787822 /nfs/dbraw/zinc/78/78/22/1029787822.db2.gz GNTMGTMGWGPFOU-MAUKXSAKSA-N 0 3 334.419 3.723 20 30 EHEDHN CC[C@@H](NCc1ccccc1CN1CCCC1=O)c1ccc(C#N)cc1 ZINC000278274386 1029884002 /nfs/dbraw/zinc/88/40/02/1029884002.db2.gz PJBCYLGODQKDAF-OAQYLSRUSA-N 0 3 347.462 3.922 20 30 EHEDHN C#C[C@H](OC(=O)C1CCN(C2CC2)CC1)c1ccc(Cl)cc1F ZINC000842354381 1029998105 /nfs/dbraw/zinc/99/81/05/1029998105.db2.gz WMGVSUPCHKSXEO-KRWDZBQOSA-N 0 3 335.806 3.571 20 30 EHEDHN N#CCC[C@@H](C#N)CNCC/C=C\c1ccc(Br)cc1 ZINC000600603785 1030045775 /nfs/dbraw/zinc/04/57/75/1030045775.db2.gz RLZUFQLZAUYABU-RTNQIJGDSA-N 0 3 332.245 3.886 20 30 EHEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1CCC(C)C ZINC000160053154 1030501794 /nfs/dbraw/zinc/50/17/94/1030501794.db2.gz BREMASDQINIZPE-AWEZNQCLSA-N 0 3 335.411 3.604 20 30 EHEDHN CN([C@H]1CCc2ccccc21)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447856576 1030548509 /nfs/dbraw/zinc/54/85/09/1030548509.db2.gz RUZDZKASVRNHNU-LEWJYISDSA-N 0 3 345.446 3.673 20 30 EHEDHN C=CCOc1ccc(CN(C)[C@@H](CCO)c2ccccc2)cc1OC ZINC000093442594 1030612704 /nfs/dbraw/zinc/61/27/04/1030612704.db2.gz AKNLGOBFLUTRGC-IBGZPJMESA-N 0 3 341.451 3.816 20 30 EHEDHN CC(C)(C)C[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000527127940 1030653106 /nfs/dbraw/zinc/65/31/06/1030653106.db2.gz DAMQKKAEDGHZKP-MRXNPFEDSA-N 0 3 347.890 3.969 20 30 EHEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000537652998 1030859628 /nfs/dbraw/zinc/85/96/28/1030859628.db2.gz VIEOQZPHUXHGDN-GJZGRUSLSA-N 0 3 326.415 3.834 20 30 EHEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000537652999 1030860651 /nfs/dbraw/zinc/86/06/51/1030860651.db2.gz VIEOQZPHUXHGDN-HUUCEWRRSA-N 0 3 326.415 3.834 20 30 EHEDHN C=CCn1c(SCCN2CCCCC2)nnc1-c1cccs1 ZINC000123160683 1030938094 /nfs/dbraw/zinc/93/80/94/1030938094.db2.gz MQIUSZBNICAGOW-UHFFFAOYSA-N 0 3 334.514 3.771 20 30 EHEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]1c1cccc2ccccc21 ZINC000098137013 1031015294 /nfs/dbraw/zinc/01/52/94/1031015294.db2.gz PRDIPXDGLXWOAG-FQEVSTJZSA-N 0 3 335.451 3.739 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](c2cccc(C)c2)C(C)C)CC1 ZINC000527769338 1031233762 /nfs/dbraw/zinc/23/37/62/1031233762.db2.gz ZMBLALPCRKAJCR-IBGZPJMESA-N 0 3 329.488 3.642 20 30 EHEDHN CCc1nc(C)c([C@@H](C)N(C)CCOc2cccc(C#N)c2)s1 ZINC000122067277 1031336894 /nfs/dbraw/zinc/33/68/94/1031336894.db2.gz BTQGMZRFHLWMMS-CQSZACIVSA-N 0 3 329.469 3.957 20 30 EHEDHN CC[C@@](C)(COc1ncccc1Cl)NCC#Cc1ccccc1 ZINC000484082433 1031444222 /nfs/dbraw/zinc/44/42/22/1031444222.db2.gz SCPKCDAFVVDFBK-IBGZPJMESA-N 0 3 328.843 3.924 20 30 EHEDHN Cc1ccccc1[C@@H](C)N(CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)C ZINC000551723259 1031602142 /nfs/dbraw/zinc/60/21/42/1031602142.db2.gz ZARVEMGNNRXMDU-UTKZUKDTSA-N 0 3 341.499 3.823 20 30 EHEDHN COC(=O)c1cc(C2CCN(CCC3(C#N)CCCCC3)CC2)no1 ZINC000603001375 1033299935 /nfs/dbraw/zinc/29/99/35/1033299935.db2.gz GKESIWNSLJBNDK-UHFFFAOYSA-N 0 3 345.443 3.505 20 30 EHEDHN C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594429987 1033365611 /nfs/dbraw/zinc/36/56/11/1033365611.db2.gz YQXCYIDJTRGWNU-GUYCJALGSA-N 0 3 333.863 3.803 20 30 EHEDHN CCc1ccc(-c2csc(NC(=O)[C@@H](N)CCCCC#N)n2)s1 ZINC000594428297 1033365967 /nfs/dbraw/zinc/36/59/67/1033365967.db2.gz XVQVFXPATBQGGH-LBPRGKRZSA-N 0 3 348.497 3.784 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000594428864 1033366276 /nfs/dbraw/zinc/36/62/76/1033366276.db2.gz PGOWFJBHKZTSTL-LJQANCHMSA-N 0 3 337.423 3.506 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000594432691 1033368470 /nfs/dbraw/zinc/36/84/70/1033368470.db2.gz GACCVFMLNZBDJB-SFTDATJTSA-N 0 3 347.462 3.724 20 30 EHEDHN CCSc1ccc(Cl)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594432625 1033369722 /nfs/dbraw/zinc/36/97/22/1033369722.db2.gz AAQXZIZPRHDTJU-GFCCVEGCSA-N 0 3 325.865 3.802 20 30 EHEDHN CCN(C(=O)[C@H](N)CCCCC#N)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000594433314 1033371835 /nfs/dbraw/zinc/37/18/35/1033371835.db2.gz NNXMCOVPZVHCRK-RTBURBONSA-N 0 3 347.478 3.653 20 30 EHEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594433350 1033372808 /nfs/dbraw/zinc/37/28/08/1033372808.db2.gz OGFUVXKDHCUYSW-GBESFXJTSA-N 0 3 327.472 3.501 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000594435882 1033373200 /nfs/dbraw/zinc/37/32/00/1033373200.db2.gz GCXLXBYQUUQMLR-IRXDYDNUSA-N 0 3 333.863 3.805 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000594442120 1033374149 /nfs/dbraw/zinc/37/41/49/1033374149.db2.gz BEHHWBLYPNLBSX-GOSISDBHSA-N 0 3 347.890 3.532 20 30 EHEDHN Cc1ccc(Oc2ccc(NC(=O)[C@H](N)CCCCC#N)cn2)cc1 ZINC000594441759 1033374184 /nfs/dbraw/zinc/37/41/84/1033374184.db2.gz WKHXYPXJLFPANX-QGZVFWFLSA-N 0 3 338.411 3.532 20 30 EHEDHN CC(C)[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1F ZINC000594445228 1033377147 /nfs/dbraw/zinc/37/71/47/1033377147.db2.gz INIIZZCEIXPLRE-HZPDHXFCSA-N 0 3 339.842 3.704 20 30 EHEDHN CCCc1ccc([C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)C)cc1 ZINC000594425130 1033388389 /nfs/dbraw/zinc/38/83/89/1033388389.db2.gz FYRXBUDXPPOUEG-MOPGFXCFSA-N 0 3 329.488 3.864 20 30 EHEDHN Cc1sc(NC(=O)[C@@H](N)CCCCC#N)nc1-c1ccc(C)cc1 ZINC000594427815 1033390146 /nfs/dbraw/zinc/39/01/46/1033390146.db2.gz WQFKDWOASNAPGC-HNNXBMFYSA-N 0 3 342.468 3.777 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000594426234 1033390289 /nfs/dbraw/zinc/39/02/89/1033390289.db2.gz CBAUZJXGJDNMKF-INIZCTEOSA-N 0 3 338.411 3.569 20 30 EHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCc2ccccc2NC1=O ZINC000594512818 1033417863 /nfs/dbraw/zinc/41/78/63/1033417863.db2.gz RTLMTIMPMXBXJZ-RTWAWAEBSA-N 0 3 345.446 3.869 20 30 EHEDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000603189379 1033427612 /nfs/dbraw/zinc/42/76/12/1033427612.db2.gz GKSWPECJPQYGLM-FQEVSTJZSA-N 0 3 345.450 3.911 20 30 EHEDHN C=CCCSCCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000595058704 1033635109 /nfs/dbraw/zinc/63/51/09/1033635109.db2.gz JOXYNKASTJXNOO-ZDUSSCGKSA-N 0 3 336.892 3.881 20 30 EHEDHN Cc1ccc(-c2noc(CCCN3CCC[C@H](CC#N)C3)n2)cc1F ZINC000595615147 1033927507 /nfs/dbraw/zinc/92/75/07/1033927507.db2.gz PGLNVCVYTPDRLQ-OAHLLOKOSA-N 0 3 342.418 3.742 20 30 EHEDHN CN(CCOc1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000603823542 1033952663 /nfs/dbraw/zinc/95/26/63/1033952663.db2.gz IVLLDAOXTVYOJU-UHFFFAOYSA-N 0 3 345.240 3.832 20 30 EHEDHN Cc1cc(NC[C@@H](c2ccc(F)cc2)N(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596084513 1034074498 /nfs/dbraw/zinc/07/44/98/1034074498.db2.gz AQYRBBOPONUTEI-KRWDZBQOSA-N 0 3 342.374 3.629 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1nc(C#N)c(Cl)s1 ZINC000596142136 1034090460 /nfs/dbraw/zinc/09/04/60/1034090460.db2.gz DUXRQNTXWHTFBV-CYBMUJFWSA-N 0 3 346.887 3.769 20 30 EHEDHN N#CCc1ccccc1CC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000761164000 1034147278 /nfs/dbraw/zinc/14/72/78/1034147278.db2.gz WUDLNTYNLSYTEO-OAQYLSRUSA-N 0 3 348.446 3.503 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C2CC2)cc1 ZINC000596829262 1034417430 /nfs/dbraw/zinc/41/74/30/1034417430.db2.gz RAXPTIAHUCRZOL-UHFFFAOYSA-N 0 3 347.462 3.640 20 30 EHEDHN C#C[C@H](CC)NCc1ccc(Br)c(Br)c1 ZINC000229883724 1034466219 /nfs/dbraw/zinc/46/62/19/1034466219.db2.gz MFJZUXAHMBEAQE-SNVBAGLBSA-N 0 3 331.051 3.713 20 30 EHEDHN C=CC[C@@H](C)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000604880328 1034543537 /nfs/dbraw/zinc/54/35/37/1034543537.db2.gz XKDUHJZENPYSPN-PBHICJAKSA-N 0 3 340.389 3.522 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000597157029 1034569846 /nfs/dbraw/zinc/56/98/46/1034569846.db2.gz DKRJEAKGBTUVFK-IIBYNOLFSA-N 0 3 336.435 3.919 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC000171776684 1034615796 /nfs/dbraw/zinc/61/57/96/1034615796.db2.gz DRIVWDXPZRVPHQ-SJLPKXTDSA-N 0 3 326.440 3.512 20 30 EHEDHN N#Cc1c(F)cccc1CNc1cccc(CN2CCSCC2)c1 ZINC000602011854 1034858024 /nfs/dbraw/zinc/85/80/24/1034858024.db2.gz MUKWFWCTFWBLDE-UHFFFAOYSA-N 0 3 341.455 3.858 20 30 EHEDHN Cn1cc(CN(Cc2ccc(C#N)cc2)C2CC2)c(-c2ccncc2)n1 ZINC000180030639 1035221149 /nfs/dbraw/zinc/22/11/49/1035221149.db2.gz SWPHOHILTWSUKL-UHFFFAOYSA-N 0 3 343.434 3.518 20 30 EHEDHN N#Cc1ccc(CN(Cc2c[nH]nc2-c2cccnc2)C2CC2)cc1 ZINC000180030496 1035221184 /nfs/dbraw/zinc/22/11/84/1035221184.db2.gz VHHPDQAIBRMAJJ-UHFFFAOYSA-N 0 3 329.407 3.508 20 30 EHEDHN CCc1oc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000177843460 1035413587 /nfs/dbraw/zinc/41/35/87/1035413587.db2.gz JURMKBXOPMYESN-CYBMUJFWSA-N 0 3 330.771 3.765 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccc(F)cc1F ZINC000152012322 1035517491 /nfs/dbraw/zinc/51/74/91/1035517491.db2.gz ILRKKEMJINFCLB-CQSZACIVSA-N 0 3 339.345 3.661 20 30 EHEDHN C=CCc1cc(CN(Cc2ccccc2)C[C@@H](C)O)cc(OC)c1O ZINC000535080381 1036004994 /nfs/dbraw/zinc/00/49/94/1036004994.db2.gz SSJQSOUGIRIPNX-MRXNPFEDSA-N 0 3 341.451 3.512 20 30 EHEDHN CCN1CCN(c2ccc(NCc3ccc(C#N)c(C)c3)c(C)c2)CC1 ZINC000443972798 1036040761 /nfs/dbraw/zinc/04/07/61/1036040761.db2.gz XPUHUDZMNOZVHF-UHFFFAOYSA-N 0 3 348.494 3.929 20 30 EHEDHN CC[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccs1 ZINC000180235111 1036326836 /nfs/dbraw/zinc/32/68/36/1036326836.db2.gz GQRRXCGKIAASKW-IRXDYDNUSA-N 0 3 339.464 3.856 20 30 EHEDHN COc1ccc(CN2CCSCC[C@@H]2C)cc1OCCCC#N ZINC000191815996 1036433359 /nfs/dbraw/zinc/43/33/59/1036433359.db2.gz QFLICKOAWNQVQP-HNNXBMFYSA-N 0 3 334.485 3.705 20 30 EHEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000589949364 1036674536 /nfs/dbraw/zinc/67/45/36/1036674536.db2.gz MMFPJNPDEPEVBQ-ZDUSSCGKSA-N 0 3 341.842 3.764 20 30 EHEDHN N#Cc1ccc(N2CCC[C@H](NCc3cccc(F)c3F)C2)c(F)c1 ZINC000237760867 1036909100 /nfs/dbraw/zinc/90/91/00/1036909100.db2.gz PTGISBBWMZYOGY-HNNXBMFYSA-N 0 3 345.368 3.734 20 30 EHEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccc(Cl)cc3)C2)c(F)c1 ZINC000539587442 1036954398 /nfs/dbraw/zinc/95/43/98/1036954398.db2.gz FVYUHZXOHICKLN-INIZCTEOSA-N 0 3 329.806 3.719 20 30 EHEDHN CC[C@@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000271706985 1036962028 /nfs/dbraw/zinc/96/20/28/1036962028.db2.gz UMODKUPWYLLMBD-CXAGYDPISA-N 0 3 325.412 3.836 20 30 EHEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1C#N ZINC000542207954 1037179869 /nfs/dbraw/zinc/17/98/69/1037179869.db2.gz JVDSESNZAQYSGL-SJORKVTESA-N 0 3 326.831 3.772 20 30 EHEDHN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000573320918 1037464272 /nfs/dbraw/zinc/46/42/72/1037464272.db2.gz RWJDRUSEBCYEKG-SFHVURJKSA-N 0 3 341.499 3.828 20 30 EHEDHN CCCCc1ccc2nc(NC(=O)[C@@H](N)CCCC#N)sc2c1 ZINC000591592723 1037534844 /nfs/dbraw/zinc/53/48/44/1037534844.db2.gz WOIVDIOWEYXUBA-ZDUSSCGKSA-N 0 3 330.457 3.599 20 30 EHEDHN N#Cc1ccc(OCCN2CCC(OCC3CCCC3)CC2)cc1 ZINC000177501148 1037558312 /nfs/dbraw/zinc/55/83/12/1037558312.db2.gz DWAUUOCHVHPCFZ-UHFFFAOYSA-N 0 3 328.456 3.608 20 30 EHEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccsc2)c(OC)c1 ZINC000669939670 1037677976 /nfs/dbraw/zinc/67/79/76/1037677976.db2.gz YBCOWFPKSVZBBC-YOEHRIQHSA-N 0 3 347.480 3.576 20 30 EHEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000271931737 1037820017 /nfs/dbraw/zinc/82/00/17/1037820017.db2.gz IKADILTURGQKDV-CHWSQXEVSA-N 0 3 337.398 3.628 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCOC2)c(Br)c1 ZINC000592134906 1037844318 /nfs/dbraw/zinc/84/43/18/1037844318.db2.gz SGYAAVOFDQOCDP-RDJZCZTQSA-N 0 3 349.272 3.712 20 30 EHEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CCC(C)(C)C ZINC000592145354 1037848842 /nfs/dbraw/zinc/84/88/42/1037848842.db2.gz VMMDESJWMCBPKI-MRXNPFEDSA-N 0 3 345.487 3.698 20 30 EHEDHN COC(=O)c1ccccc1-c1ccc(CN2CCC(CC#N)CC2)o1 ZINC000547524889 1037883360 /nfs/dbraw/zinc/88/33/60/1037883360.db2.gz MQTXEEDHOPEAJD-UHFFFAOYSA-N 0 3 338.407 3.859 20 30 EHEDHN N#CC1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000123681468 1038056558 /nfs/dbraw/zinc/05/65/58/1038056558.db2.gz WXBQWTLQMAFLOT-UHFFFAOYSA-N 0 3 334.345 3.627 20 30 EHEDHN CCC(CC)[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1cccs1 ZINC000539278018 1038753073 /nfs/dbraw/zinc/75/30/73/1038753073.db2.gz ZTVYOHVCACACHY-KSSFIOAISA-N 0 3 335.517 3.823 20 30 EHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000041515543 1038962422 /nfs/dbraw/zinc/96/24/22/1038962422.db2.gz BXBOPLVQMIPADY-LBPRGKRZSA-N 0 3 340.326 3.883 20 30 EHEDHN C[C@@H]1CN(c2ccc(C#N)cc2Br)CCN(C2CCC2)C1 ZINC000488713315 1039354309 /nfs/dbraw/zinc/35/43/09/1039354309.db2.gz BZIVDLUTRMKLTQ-ZDUSSCGKSA-N 0 3 348.288 3.631 20 30 EHEDHN CN(C)Cc1ccccc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000365876827 1039501373 /nfs/dbraw/zinc/50/13/73/1039501373.db2.gz BPUAWQZNJLIIBT-UHFFFAOYSA-N 0 3 345.446 3.549 20 30 EHEDHN C=CCC1([NH2+]Cc2cc(Cl)c([O-])c(OCC)c2)CCOCC1 ZINC000668550982 1039579216 /nfs/dbraw/zinc/57/92/16/1039579216.db2.gz GLNSSFIMELWLIA-UHFFFAOYSA-N 0 3 325.836 3.659 20 30 EHEDHN C=CCC[C@H](NCC(=O)NCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000553054542 1039736580 /nfs/dbraw/zinc/73/65/80/1039736580.db2.gz LIJKCUSCGNMEKG-INIZCTEOSA-N 0 3 340.389 3.829 20 30 EHEDHN Cc1cccc(C)c1OC[C@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000553054135 1039736950 /nfs/dbraw/zinc/73/69/50/1039736950.db2.gz JMWCUMAAJVOWHG-WOJBJXKFSA-N 0 3 338.451 3.678 20 30 EHEDHN Cc1cc2ncc([C@H](C)N[C@H]3CCCc4cc(C#N)ccc43)c(C)n2n1 ZINC000417372047 1039744426 /nfs/dbraw/zinc/74/44/26/1039744426.db2.gz VLWSKXFFTMSAMO-XOBRGWDASA-N 0 3 345.450 3.946 20 30 EHEDHN C=CCC1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCC1 ZINC000479100614 1039970121 /nfs/dbraw/zinc/97/01/21/1039970121.db2.gz HRLJUIOWLAOGFB-UHFFFAOYSA-N 0 3 336.545 3.601 20 30 EHEDHN C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000047010463 1040225031 /nfs/dbraw/zinc/22/50/31/1040225031.db2.gz ZAUUHVJPLVQYCH-SFHVURJKSA-N 0 3 349.478 3.642 20 30 EHEDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168907 1040340541 /nfs/dbraw/zinc/34/05/41/1040340541.db2.gz GAWDGJNVLDAUBC-WOJBJXKFSA-N 0 3 341.499 3.709 20 30 EHEDHN Cc1ccsc1CNC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433025707 1040494188 /nfs/dbraw/zinc/49/41/88/1040494188.db2.gz AUTPQFZAGPGGLR-QGZVFWFLSA-N 0 3 341.480 3.698 20 30 EHEDHN CC[C@H]1CCCCN1C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433030657 1040508393 /nfs/dbraw/zinc/50/83/93/1040508393.db2.gz KUZIJXOVEBMOEA-RBUKOAKNSA-N 0 3 327.472 3.802 20 30 EHEDHN C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(CN(CC)CC)cc1 ZINC000908643595 1040550920 /nfs/dbraw/zinc/55/09/20/1040550920.db2.gz IDABLPZLJIZTMB-LJQANCHMSA-N 0 3 342.483 3.668 20 30 EHEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000533950114 1040679092 /nfs/dbraw/zinc/67/90/92/1040679092.db2.gz NIVNSGNXMQASRR-RBUKOAKNSA-N 0 3 329.488 3.820 20 30 EHEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000533950112 1040680397 /nfs/dbraw/zinc/68/03/97/1040680397.db2.gz NIVNSGNXMQASRR-MOPGFXCFSA-N 0 3 329.488 3.820 20 30 EHEDHN CN(CCOc1ccc(C#N)cc1)Cc1ccc(Br)cc1 ZINC000042268125 1040963046 /nfs/dbraw/zinc/96/30/46/1040963046.db2.gz LEFUEIBMMOSIAF-UHFFFAOYSA-N 0 3 345.240 3.832 20 30 EHEDHN CS[C@H](C)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000156340749 1041128169 /nfs/dbraw/zinc/12/81/69/1041128169.db2.gz IMLNWYDIVVONJT-DOMZBBRYSA-N 0 3 326.421 3.629 20 30 EHEDHN CC[C@H](CN(CC)[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000481682970 1041230289 /nfs/dbraw/zinc/23/02/89/1041230289.db2.gz BVIDWHDNDNRQTA-YLJYHZDGSA-N 0 3 335.451 3.600 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000481687552 1041254159 /nfs/dbraw/zinc/25/41/59/1041254159.db2.gz BDQXDDWANDEHDG-IRXDYDNUSA-N 0 3 335.536 3.931 20 30 EHEDHN N#CC(C(=O)CCc1cc(Br)ccc1F)c1ccccn1 ZINC000136539532 1041855527 /nfs/dbraw/zinc/85/55/27/1041855527.db2.gz PRKQVGITNRWEKJ-ZDUSSCGKSA-N 0 3 347.187 3.792 20 30 EHEDHN C=CCN(CC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)C(C)(C)C ZINC000661756604 1042307629 /nfs/dbraw/zinc/30/76/29/1042307629.db2.gz SMJZQLADVFOATN-HNNXBMFYSA-N 0 3 348.487 3.558 20 30 EHEDHN COc1ccccc1[C@H](CNc1cnccc1C#N)N1CCCCC1 ZINC000094139954 1042850151 /nfs/dbraw/zinc/85/01/51/1042850151.db2.gz GSVXWJNXDIBCHP-IBGZPJMESA-N 0 3 336.439 3.601 20 30 EHEDHN CCCCNC(=O)C1(NCc2ccc(C)c(C#N)c2)CCCCC1 ZINC001167828984 1042980696 /nfs/dbraw/zinc/98/06/96/1042980696.db2.gz GQVSFFZSIPOEFI-UHFFFAOYSA-N 0 3 327.472 3.576 20 30 EHEDHN C=C(CC(=O)OCCCC)C(=O)NCCP(C(C)C)C(C)C ZINC001184316186 1133921741 /nfs/dbraw/zinc/92/17/41/1133921741.db2.gz PKEKOMIOFOZPDM-UHFFFAOYSA-N 0 3 329.421 3.691 20 30 EHEDHN CN(CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CC=CCC1 ZINC000344029779 1043125445 /nfs/dbraw/zinc/12/54/45/1043125445.db2.gz ATQHUCQYDIQPDO-OAHLLOKOSA-N 0 3 329.469 3.529 20 30 EHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000344353649 1043719841 /nfs/dbraw/zinc/71/98/41/1043719841.db2.gz CUAFYSIHPNDZTQ-APWZRJJASA-N 0 3 348.450 3.651 20 30 EHEDHN CC[C@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CC1 ZINC000467836405 1043799087 /nfs/dbraw/zinc/79/90/87/1043799087.db2.gz KXPODTHTTXRREG-IRJFHVNHSA-N 0 3 341.499 3.665 20 30 EHEDHN C=CCOc1ccc(CNCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000061030691 1043897784 /nfs/dbraw/zinc/89/77/84/1043897784.db2.gz KHWFAPMEHNWBJP-UHFFFAOYSA-N 0 3 343.423 3.567 20 30 EHEDHN C=CCOc1cccc(CN[C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000512214612 1044171854 /nfs/dbraw/zinc/17/18/54/1044171854.db2.gz QZJVZRFZVRKNEV-FQEVSTJZSA-N 0 3 336.435 3.537 20 30 EHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000192591314 1126919955 /nfs/dbraw/zinc/91/99/55/1126919955.db2.gz DWVNCINGTGYFGC-DNVCBOLYSA-N 0 3 330.472 3.549 20 30 EHEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1OC ZINC000623753838 1127117646 /nfs/dbraw/zinc/11/76/46/1127117646.db2.gz FEORMBJQDAGZEN-HOCLYGCPSA-N 0 3 337.847 3.571 20 30 EHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000181004653 1127263994 /nfs/dbraw/zinc/26/39/94/1127263994.db2.gz ZKIWHUOOFMWJEM-VQTJNVASSA-N 0 3 345.462 3.701 20 30 EHEDHN CCCCNC(=O)c1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000921528129 1127671700 /nfs/dbraw/zinc/67/17/00/1127671700.db2.gz CNTSRNXNUDGZAF-UHFFFAOYSA-N 0 3 349.478 3.995 20 30 EHEDHN C#CCCOc1ccc(CNCc2ccc(F)c(COC)c2)cc1 ZINC000172120283 1127768673 /nfs/dbraw/zinc/76/86/73/1127768673.db2.gz DRNZADIZAVXKMR-UHFFFAOYSA-N 0 3 327.399 3.664 20 30 EHEDHN Cc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2sccc2C#N)s1 ZINC000106877651 1128515359 /nfs/dbraw/zinc/51/53/59/1128515359.db2.gz AUEWWCLUUUFLNX-NSHDSACASA-N 0 3 348.497 3.715 20 30 EHEDHN C=CCN1CCC(NC(=O)NC(C)(C)c2cccc(Cl)c2)CC1 ZINC000172584858 1128663681 /nfs/dbraw/zinc/66/36/81/1128663681.db2.gz WMOYBBMGVCTWLS-UHFFFAOYSA-N 0 3 335.879 3.525 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000305079674 1128764727 /nfs/dbraw/zinc/76/47/27/1128764727.db2.gz TWJMUYMVRAVCHI-IBGZPJMESA-N 0 3 347.418 3.612 20 30 EHEDHN N#Cc1ccc(CN2CCCN3c4ccccc4C[C@@H]3C2)c(Cl)c1 ZINC000520292053 1128936058 /nfs/dbraw/zinc/93/60/58/1128936058.db2.gz OBBCFBRLAPPZRZ-GOSISDBHSA-N 0 3 337.854 3.849 20 30 EHEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)CC1 ZINC000171717863 1121503325 /nfs/dbraw/zinc/50/33/25/1121503325.db2.gz RLAYXMVQCAFUSP-KRWDZBQOSA-N 0 3 344.499 3.652 20 30 EHEDHN CSc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000272307343 1121517492 /nfs/dbraw/zinc/51/74/92/1121517492.db2.gz SIYAVRWAWMHREN-UHFFFAOYSA-N 0 3 338.480 3.752 20 30 EHEDHN CN(CCSc1ccc([N+](=O)[O-])cc1C#N)Cc1ccccc1 ZINC000193744137 1121602538 /nfs/dbraw/zinc/60/25/38/1121602538.db2.gz FMEPULURVVGSBN-UHFFFAOYSA-N 0 3 327.409 3.691 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCCC(C)(C)C#N)[C@@H]2C1 ZINC000496073215 1121633556 /nfs/dbraw/zinc/63/35/56/1121633556.db2.gz UPPPGGWMPPZUJD-HZPDHXFCSA-N 0 3 335.492 3.648 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(C)s2)C(C)C)CC1 ZINC000171738623 1121663271 /nfs/dbraw/zinc/66/32/71/1121663271.db2.gz DQABLJJWGWTUBV-UHFFFAOYSA-N 0 3 335.517 3.627 20 30 EHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1ncc(C#N)cc1Cl ZINC000077236673 1129001334 /nfs/dbraw/zinc/00/13/34/1129001334.db2.gz LIWROJTWQZQHTO-HNNXBMFYSA-N 0 3 340.858 3.707 20 30 EHEDHN CC[C@H](NCc1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000496093531 1121686663 /nfs/dbraw/zinc/68/66/63/1121686663.db2.gz NMZARVVKPCITGG-IBGZPJMESA-N 0 3 335.407 3.756 20 30 EHEDHN C=CCNC(=O)[C@H](C)N[C@H](Cc1ccccc1)c1sccc1C ZINC000122767368 1121725153 /nfs/dbraw/zinc/72/51/53/1121725153.db2.gz JWKLQBPXECZYQG-DOTOQJQBSA-N 0 3 328.481 3.621 20 30 EHEDHN CC(C)(C)OC(=O)N1CCN(CCCCC#N)C2(CCCCC2)C1 ZINC000154039890 1122188803 /nfs/dbraw/zinc/18/88/03/1122188803.db2.gz MOAQFJZFAASFDI-UHFFFAOYSA-N 0 3 335.492 3.936 20 30 EHEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130462995 1122246545 /nfs/dbraw/zinc/24/65/45/1122246545.db2.gz BSYBILOWOCOMFR-ZDUSSCGKSA-N 0 3 337.162 3.856 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)COc1cc(C(C)C)ccc1C ZINC000916875129 1122376961 /nfs/dbraw/zinc/37/69/61/1122376961.db2.gz SRTHXDMREAKTDT-QGZVFWFLSA-N 0 3 344.455 3.513 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cc(C)oc1C ZINC000916901156 1122382056 /nfs/dbraw/zinc/38/20/56/1122382056.db2.gz ZRWYPKKGQIWGEV-QGZVFWFLSA-N 0 3 338.407 3.982 20 30 EHEDHN Cc1cc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)ccc1C#N ZINC000497230200 1122394492 /nfs/dbraw/zinc/39/44/92/1122394492.db2.gz RPBSLGVGZZCDOU-OAHLLOKOSA-N 0 3 335.407 3.674 20 30 EHEDHN CC1CCC(N(C)CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000072701726 1123144944 /nfs/dbraw/zinc/14/49/44/1123144944.db2.gz ZNRJDVXKLCHEAF-UHFFFAOYSA-N 0 3 331.485 3.751 20 30 EHEDHN CC(C)(CCC(=O)C(C#N)C(=O)NCc1ccccc1)c1ccccc1 ZINC000155108538 1123175402 /nfs/dbraw/zinc/17/54/02/1123175402.db2.gz WIPGVIBFRLNCQX-LJQANCHMSA-N 0 3 348.446 3.770 20 30 EHEDHN C=C(C)COc1cc(CN2CCCO[C@@H](C(C)C)C2)ccc1OC ZINC000556980832 1123253041 /nfs/dbraw/zinc/25/30/41/1123253041.db2.gz JNWDPQNCHADETJ-HXUWFJFHSA-N 0 3 333.472 3.897 20 30 EHEDHN C=CCN1CCC(NC(=O)N[C@H](CC)C(C)(C)c2ccccc2)CC1 ZINC000074132410 1123254351 /nfs/dbraw/zinc/25/43/51/1123254351.db2.gz ZFZHDIXJWMUHPC-LJQANCHMSA-N 0 3 343.515 3.692 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]/CCN(C)Cc2ccccc2)c([O-])c1 ZINC000920174450 1123332104 /nfs/dbraw/zinc/33/21/04/1123332104.db2.gz MPQJRBQMYPWJCA-CJLVFECKSA-N 0 3 339.483 3.789 20 30 EHEDHN COC(=O)c1ccc(CN(C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000135120742 1123584761 /nfs/dbraw/zinc/58/47/61/1123584761.db2.gz VWMLCNWFBOQANX-UHFFFAOYSA-N 0 3 336.435 3.906 20 30 EHEDHN Cc1ccc(OC2CCN(CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000609739564 1123657977 /nfs/dbraw/zinc/65/79/77/1123657977.db2.gz MPRRNWWCJQIHNE-UHFFFAOYSA-N 0 3 336.435 3.789 20 30 EHEDHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245468424 1123842710 /nfs/dbraw/zinc/84/27/10/1123842710.db2.gz KSOJDXSTHRFENE-IQUTYRLHSA-N 0 3 347.890 3.572 20 30 EHEDHN COC(=O)C(C)(C)[C@@H](NCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000618753421 1125191319 /nfs/dbraw/zinc/19/13/19/1125191319.db2.gz MZBNNYAGEQROQK-IBGZPJMESA-N 0 3 336.435 3.897 20 30 EHEDHN COCCOc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618802521 1125195651 /nfs/dbraw/zinc/19/56/51/1125195651.db2.gz FHHYTSSPASCHQD-VFNWGFHPSA-N 0 3 336.435 3.922 20 30 EHEDHN Cc1cccc(CC2(O)CCN(Cc3ccc(C#N)cc3C)CC2)c1 ZINC000619512356 1125354977 /nfs/dbraw/zinc/35/49/77/1125354977.db2.gz OOEGKMGLIPRUDU-UHFFFAOYSA-N 0 3 334.463 3.745 20 30 EHEDHN Cc1nn(-c2ccccc2)c(C)c1CNCCOc1ccc(C#N)cc1 ZINC000078729267 1129189770 /nfs/dbraw/zinc/18/97/70/1129189770.db2.gz HPCUODVDKYKWNV-UHFFFAOYSA-N 0 3 346.434 3.529 20 30 EHEDHN CCCCCCN(C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000735655244 1131370159 /nfs/dbraw/zinc/37/01/59/1131370159.db2.gz CPKDHNGLYHHNBU-UHFFFAOYSA-N 0 3 329.488 3.807 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cn(C)c4ccccc34)nc21 ZINC000735790706 1131379911 /nfs/dbraw/zinc/37/99/11/1131379911.db2.gz PCIHWXQNWQVYDJ-INIZCTEOSA-N 0 3 342.402 3.782 20 30 EHEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000922543733 1129569353 /nfs/dbraw/zinc/56/93/53/1129569353.db2.gz SGACAPRYHDLXJQ-OAHLLOKOSA-N 0 3 338.411 3.795 20 30 EHEDHN COc1ccc(CNCc2ccc(C)c(C#N)c2)cc1OCCCC#N ZINC000922759856 1129653257 /nfs/dbraw/zinc/65/32/57/1129653257.db2.gz WLGXTDBIGCWGOZ-UHFFFAOYSA-N 0 3 349.434 3.848 20 30 EHEDHN CCCCN(CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000555774100 1129736781 /nfs/dbraw/zinc/73/67/81/1129736781.db2.gz QFQIHADFVRLVGL-UHFFFAOYSA-N 0 3 348.512 3.767 20 30 EHEDHN C=CCCN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000172943872 1130169048 /nfs/dbraw/zinc/16/90/48/1130169048.db2.gz SQOHTYKYSSTHIW-GOSISDBHSA-N 0 3 349.883 3.999 20 30 EHEDHN CCN(C(=O)c1cccc(CN(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000173826373 1130320087 /nfs/dbraw/zinc/32/00/87/1130320087.db2.gz NOTRXLAZIGQRKI-MRXNPFEDSA-N 0 3 335.451 3.843 20 30 EHEDHN CCN(CC)[C@H](CNCc1ccc(C#N)o1)c1ccccc1Cl ZINC000174240186 1130342690 /nfs/dbraw/zinc/34/26/90/1130342690.db2.gz HNHNYZWDMHKERD-GOSISDBHSA-N 0 3 331.847 3.977 20 30 EHEDHN C#CCOc1cccc(OC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000730499664 1130717034 /nfs/dbraw/zinc/71/70/34/1130717034.db2.gz DORDCELRKZVKJQ-LJQANCHMSA-N 0 3 349.430 3.516 20 30 EHEDHN C[C@@H]1CCC[C@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000731213068 1130777718 /nfs/dbraw/zinc/77/77/18/1130777718.db2.gz HDMHPPACZIVMRT-HZSPNIEDSA-N 0 3 327.453 3.735 20 30 EHEDHN CC[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1OC ZINC000731360805 1130791811 /nfs/dbraw/zinc/79/18/11/1130791811.db2.gz ONTHBEVBQJYAIU-OAHLLOKOSA-N 0 3 343.452 3.698 20 30 EHEDHN CCCCCCN(C)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000732268654 1130907861 /nfs/dbraw/zinc/90/78/61/1130907861.db2.gz LQGFLESLAUGQPI-UHFFFAOYSA-N 0 3 327.472 3.561 20 30 EHEDHN CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C#N)CCC1 ZINC001273378702 1131568151 /nfs/dbraw/zinc/56/81/51/1131568151.db2.gz KVMXRSAFEKWYCX-OKZBNKHCSA-N 0 3 331.504 3.572 20 30 EHEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H](C)C(C)C ZINC000741788505 1131648146 /nfs/dbraw/zinc/64/81/46/1131648146.db2.gz VQCCKHYXILFLHL-KGLIPLIRSA-N 0 3 329.469 3.839 20 30 EHEDHN CC[C@H](NCc1ccc(N(C)CCC#N)cc1)c1c(C)nn(C)c1C ZINC000742388031 1131713877 /nfs/dbraw/zinc/71/38/77/1131713877.db2.gz OEYIRILMOOCNCF-IBGZPJMESA-N 0 3 339.487 3.628 20 30 EHEDHN Cc1cccc(N2CCC[C@@]3(C2)CN([C@H](C)CCCC#N)CCO3)c1 ZINC001172495666 1131759032 /nfs/dbraw/zinc/75/90/32/1131759032.db2.gz SLHCCUWWFLIGJD-CTNGQTDRSA-N 0 3 341.499 3.749 20 30 EHEDHN N#CC1(CNC2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCCC1 ZINC001173414080 1132066947 /nfs/dbraw/zinc/06/69/47/1132066947.db2.gz SYIPQVWJEWDWLW-UHFFFAOYSA-N 0 3 345.874 3.618 20 30 EHEDHN CCC[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001176778636 1132997305 /nfs/dbraw/zinc/99/73/05/1132997305.db2.gz YXTUSZDOCCHSHO-GOSISDBHSA-N 0 3 327.472 3.815 20 30 EHEDHN C#CCOc1ccccc1CNC[C@@H](OC)c1cccc(Cl)c1 ZINC000742387857 1133063023 /nfs/dbraw/zinc/06/30/23/1133063023.db2.gz KCSATOCRIYOAPG-LJQANCHMSA-N 0 3 329.827 3.829 20 30 EHEDHN CCCCCCCCOCC(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001177706890 1133095155 /nfs/dbraw/zinc/09/51/55/1133095155.db2.gz CWXSBJUQLSTOPL-GOSISDBHSA-N 0 3 338.536 3.839 20 30 EHEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(-c2ccccc2)cnn1 ZINC001177909610 1133111025 /nfs/dbraw/zinc/11/10/25/1133111025.db2.gz XAVBGPQMNFVESA-CQSZACIVSA-N 0 3 334.404 3.526 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1ccc(C)c2ccccc12 ZINC001178600740 1133184744 /nfs/dbraw/zinc/18/47/44/1133184744.db2.gz TVRGPEBCSLYAQI-IBGZPJMESA-N 0 3 336.479 3.847 20 30 EHEDHN C#Cc1ccc(CNCc2ccc(I)cc2)cc1 ZINC001178759202 1133196511 /nfs/dbraw/zinc/19/65/11/1133196511.db2.gz ZCUSKVKCGNONAF-UHFFFAOYSA-N 0 3 347.199 3.562 20 30 EHEDHN COc1cccc(-c2n[nH]cc2CNCc2ccc(C)c(C#N)c2)c1 ZINC001179562725 1133258365 /nfs/dbraw/zinc/25/83/65/1133258365.db2.gz MYLLCPJXNKDJEP-UHFFFAOYSA-N 0 3 332.407 3.555 20 30 EHEDHN CCCN(Cc1cc(C#N)cs1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769331845 1133263889 /nfs/dbraw/zinc/26/38/89/1133263889.db2.gz YBKOAJVYTPUOCO-OAHLLOKOSA-N 0 3 349.500 3.841 20 30 EHEDHN C#CCOc1ccccc1CN1CCC2(CC1)OCc1ccccc12 ZINC000769509836 1133305498 /nfs/dbraw/zinc/30/54/98/1133305498.db2.gz LFHDUTUCLMDGSZ-UHFFFAOYSA-N 0 3 333.431 3.720 20 30 EHEDHN C#Cc1ccc(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001179985144 1133310972 /nfs/dbraw/zinc/31/09/72/1133310972.db2.gz YCHRWPTUHDQADT-NRFANRHFSA-N 0 3 347.462 3.844 20 30 EHEDHN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1csc(C#N)c1 ZINC001180345021 1133359259 /nfs/dbraw/zinc/35/92/59/1133359259.db2.gz PEIPUMOTQIHRND-KRWDZBQOSA-N 0 3 337.489 3.649 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC001180908437 1133427096 /nfs/dbraw/zinc/42/70/96/1133427096.db2.gz PCBOJHYXBIRVPQ-XLIONFOSSA-N 0 3 328.500 3.755 20 30 EHEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1csc2ccc(Cl)cc12 ZINC001181425361 1133485706 /nfs/dbraw/zinc/48/57/06/1133485706.db2.gz GUSASGNOVQRPTA-HNNXBMFYSA-N 0 3 348.899 3.864 20 30 EHEDHN [O-]c1ccc(Cl)cc1/C=N\CC1CCN(c2cc[nH+]cc2)CC1 ZINC000771519739 1133568845 /nfs/dbraw/zinc/56/88/45/1133568845.db2.gz HLNOFICRQZFAAW-BKUYFWCQSA-N 0 3 329.831 3.776 20 30 EHEDHN C#CCOc1ccccc1-c1noc([C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000785584884 1133723255 /nfs/dbraw/zinc/72/32/55/1133723255.db2.gz QZPKHUKVINEBDI-ZNMIVQPWSA-N 0 3 325.412 3.682 20 30 EHEDHN C#CCOc1cccc(-c2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)c1 ZINC000785585672 1133723477 /nfs/dbraw/zinc/72/34/77/1133723477.db2.gz MZEOQGOXXWOLDY-KFWWJZLASA-N 0 3 325.412 3.682 20 30 EHEDHN Cc1nc(CC(=O)C(C#N)c2nc3ccccc3s2)c(C)s1 ZINC000786275494 1133826366 /nfs/dbraw/zinc/82/63/66/1133826366.db2.gz BWADIXOPEZYKLL-LLVKDONJSA-N 0 3 327.434 3.789 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000786295573 1133828866 /nfs/dbraw/zinc/82/88/66/1133828866.db2.gz FFEUFPGAUAUCJE-UTUOFQBUSA-N 0 3 338.860 3.520 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCOCC2)cc1 ZINC000786315608 1133836501 /nfs/dbraw/zinc/83/65/01/1133836501.db2.gz OEBFHETYDBCTSZ-ZVZYQTTQSA-N 0 3 342.439 3.664 20 30 EHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)cc1 ZINC000786313961 1133836719 /nfs/dbraw/zinc/83/67/19/1133836719.db2.gz JLWWVVUTCVLXCV-XJKSGUPXSA-N 0 3 325.412 3.787 20 30 EHEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786546331 1133872571 /nfs/dbraw/zinc/87/25/71/1133872571.db2.gz IAXMZFKDOZTZGM-SJLPKXTDSA-N 0 3 328.456 3.927 20 30 EHEDHN N#Cc1ccc(CNC2CC(c3ccc(Br)cc3)C2)nc1 ZINC000786915248 1133920451 /nfs/dbraw/zinc/92/04/51/1133920451.db2.gz AASXRPWFCUUDBZ-UHFFFAOYSA-N 0 3 342.240 3.752 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3c(c2)ncn3C)c1 ZINC000774813461 1134022957 /nfs/dbraw/zinc/02/29/57/1134022957.db2.gz FTCQGHDRSDRRAJ-QGZVFWFLSA-N 0 3 334.423 3.544 20 30 EHEDHN CC(C)(C)c1cnc(CCC(=O)C(C#N)c2nc3ccccc3o2)o1 ZINC000788180171 1134087533 /nfs/dbraw/zinc/08/75/33/1134087533.db2.gz MFMLQCGMOPTNAA-LBPRGKRZSA-N 0 3 337.379 3.922 20 30 EHEDHN Cc1cc(CN2CCC(N(C)C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC000774880036 1134097165 /nfs/dbraw/zinc/09/71/65/1134097165.db2.gz DLDOGBVFTHEHTI-UHFFFAOYSA-N 0 3 343.471 3.698 20 30 EHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001190457229 1134703273 /nfs/dbraw/zinc/70/32/73/1134703273.db2.gz JMBKEZGKAJLKDU-CVEARBPZSA-N 0 3 329.362 3.793 20 30 EHEDHN C=CCN(CC1CCCCC1)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC001190983674 1134774723 /nfs/dbraw/zinc/77/47/23/1134774723.db2.gz FGAWYXBDAZJQBP-LJQANCHMSA-N 0 3 342.483 3.869 20 30 EHEDHN COc1ccc(C#N)cc1CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792908227 1134820144 /nfs/dbraw/zinc/82/01/44/1134820144.db2.gz LOBANMFUKPAFRV-LSDHHAIUSA-N 0 3 325.239 3.583 20 30 EHEDHN C=C(C)COc1cc(C[NH2+]Cc2ccc(OC)cc2[O-])ccc1OC ZINC000793389469 1134921922 /nfs/dbraw/zinc/92/19/22/1134921922.db2.gz ZEFGYRXRGKFKBZ-UHFFFAOYSA-N 0 3 343.423 3.654 20 30 EHEDHN CCCCC[C@@H](NCc1cc(=O)n2ncc(C#N)c2[nH]1)c1ccccc1 ZINC001192901116 1135070721 /nfs/dbraw/zinc/07/07/21/1135070721.db2.gz IQMPCNYVMUYSNI-GOSISDBHSA-N 0 3 349.438 3.718 20 30 EHEDHN N#Cc1ccc(CN2CCC[C@@H](Cn3cnc4ccccc43)C2)s1 ZINC001193507775 1135148316 /nfs/dbraw/zinc/14/83/16/1135148316.db2.gz KROLKAXFBHCPJA-OAHLLOKOSA-N 0 3 336.464 3.882 20 30 EHEDHN CC[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)[C@H]1C ZINC001193608524 1135158402 /nfs/dbraw/zinc/15/84/02/1135158402.db2.gz YJMXCSOOALDBDL-OKZBNKHCSA-N 0 3 327.472 3.751 20 30 EHEDHN CC(C)(C#N)c1ccc(CN2CCC(Nc3ccccn3)CC2)cc1 ZINC000775646820 1135400308 /nfs/dbraw/zinc/40/03/08/1135400308.db2.gz MILFFKUQNCCKAH-UHFFFAOYSA-N 0 3 334.467 3.959 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001195497752 1135433655 /nfs/dbraw/zinc/43/36/55/1135433655.db2.gz KZZXSFNPVIFBHY-IIDMSEBBSA-N 0 3 328.456 3.919 20 30 EHEDHN CN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C(C)(C)C ZINC001195677868 1135449770 /nfs/dbraw/zinc/44/97/70/1135449770.db2.gz QLZGJFKMBJPDIR-MRXNPFEDSA-N 0 3 339.405 3.739 20 30 EHEDHN Clc1ccc(C#CCN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC001195658789 1135453503 /nfs/dbraw/zinc/45/35/03/1135453503.db2.gz DFRYHALBHFRMKQ-RTBURBONSA-N 0 3 336.866 3.760 20 30 EHEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)C1 ZINC001195946836 1135498940 /nfs/dbraw/zinc/49/89/40/1135498940.db2.gz OLNXDEHZEYQTCE-IERDGZPVSA-N 0 3 342.483 3.551 20 30 EHEDHN CC(C)(C)OC(=O)N[C@H]1CCCCCN(Cc2cccc(C#N)c2)C1 ZINC001196850314 1135617448 /nfs/dbraw/zinc/61/74/48/1135617448.db2.gz KDXKFYXBGBDADM-SFHVURJKSA-N 0 3 343.471 3.828 20 30 EHEDHN C=CCCC[C@@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001197377866 1135687449 /nfs/dbraw/zinc/68/74/49/1135687449.db2.gz RVLWPMRQKKZZKT-OAHLLOKOSA-N 0 3 328.378 3.742 20 30 EHEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000775873148 1135833951 /nfs/dbraw/zinc/83/39/51/1135833951.db2.gz ZPMBJLTXZLFMPP-SJLPKXTDSA-N 0 3 336.863 3.926 20 30 EHEDHN C#Cc1ccc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 ZINC000809591588 1135859559 /nfs/dbraw/zinc/85/95/59/1135859559.db2.gz IQOWJHRJUAOABP-OAQYLSRUSA-N 0 3 331.415 3.997 20 30 EHEDHN C#C[C@H](NCc1cc(Br)c(OC)c(OCC)c1)C(C)C ZINC000809685886 1135871751 /nfs/dbraw/zinc/87/17/51/1135871751.db2.gz XVCKDKQPBKAKME-AWEZNQCLSA-N 0 3 340.261 3.604 20 30 EHEDHN C#C[C@@H](NCc1c(C)nn(Cc2ccc(OC)cc2)c1C)C(C)(C)C ZINC000809782178 1135890732 /nfs/dbraw/zinc/89/07/32/1135890732.db2.gz JOTMZHVFXWYAGN-HXUWFJFHSA-N 0 3 339.483 3.694 20 30 EHEDHN COc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)ccc1C#N ZINC000810251103 1135948510 /nfs/dbraw/zinc/94/85/10/1135948510.db2.gz OUJGTECFYUSDGR-XHDPSFHLSA-N 0 3 326.371 3.750 20 30 EHEDHN C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000781424175 1136174874 /nfs/dbraw/zinc/17/48/74/1136174874.db2.gz VQOUUHUUJGAJRV-DZGCQCFKSA-N 0 3 347.434 3.747 20 30 EHEDHN C=CC[C@H](NCc1ccc(O[C@@H](C)COC)cc1)c1ccncc1 ZINC000850136663 1136213368 /nfs/dbraw/zinc/21/33/68/1136213368.db2.gz CDBFHUAPIWZDON-JXFKEZNVSA-N 0 3 326.440 3.902 20 30 EHEDHN C=CCOCCCNCc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000850377334 1136245711 /nfs/dbraw/zinc/24/57/11/1136245711.db2.gz BRJLJLVFIBNLBB-UHFFFAOYSA-N 0 3 337.826 3.656 20 30 EHEDHN CO[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)C1CCCCC1 ZINC000850756318 1136300915 /nfs/dbraw/zinc/30/09/15/1136300915.db2.gz PEXATBBXGMGMFR-WBVHZDCISA-N 0 3 348.830 3.583 20 30 EHEDHN Cc1cc(C)cc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000813213019 1136302790 /nfs/dbraw/zinc/30/27/90/1136302790.db2.gz HEARFDFHTTUPBZ-OAHLLOKOSA-N 0 3 348.324 3.973 20 30 EHEDHN N#CC(C(=O)c1ccc(Cl)nc1)c1cc(C(F)(F)F)ccn1 ZINC000813212347 1136302846 /nfs/dbraw/zinc/30/28/46/1136302846.db2.gz ABNOVYYXZNPRJN-JTQLQIEISA-N 0 3 325.677 3.639 20 30 EHEDHN COC1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCCC1 ZINC000813211765 1136303275 /nfs/dbraw/zinc/30/32/75/1136303275.db2.gz PTNASWUETLBDLY-LBPRGKRZSA-N 0 3 326.318 3.626 20 30 EHEDHN Cc1cc(C#N)ccc1CN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000776798598 1136671688 /nfs/dbraw/zinc/67/16/88/1136671688.db2.gz KZAOWDKNIPDNQX-QAPCUYQASA-N 0 3 343.471 3.744 20 30 EHEDHN Cc1noc(C[C@H](NCc2ccc(CC#N)cc2)c2ccccc2)n1 ZINC000429525490 1136740999 /nfs/dbraw/zinc/74/09/99/1136740999.db2.gz DJQOAEGPVRVTGQ-IBGZPJMESA-N 0 3 332.407 3.518 20 30 EHEDHN Cc1ccc(COc2cccc(NC(=O)[C@H](N)CCCC#N)c2)cc1 ZINC000818115887 1136860972 /nfs/dbraw/zinc/86/09/72/1136860972.db2.gz DDYAPZGAYYOFSW-LJQANCHMSA-N 0 3 337.423 3.534 20 30 EHEDHN CC[C@H](C)Oc1cc(C)ccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000819150277 1136914100 /nfs/dbraw/zinc/91/41/00/1136914100.db2.gz OLNOBKCEEZKIDS-OXJNMPFZSA-N 0 3 338.451 3.867 20 30 EHEDHN N#Cc1ccc([C@@H](O)CN[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000819209896 1136925081 /nfs/dbraw/zinc/92/50/81/1136925081.db2.gz NMQBHJGQGMRTOV-ROUUACIJSA-N 0 3 342.826 3.749 20 30 EHEDHN C#CCCCOc1cccnc1NC[C@H](c1ccc(F)cc1)N(C)C ZINC000820634182 1136999108 /nfs/dbraw/zinc/99/91/08/1136999108.db2.gz LQWIYFXSBSVLOZ-GOSISDBHSA-N 0 3 341.430 3.728 20 30 EHEDHN Cc1ccc(CN2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859296461 1137010880 /nfs/dbraw/zinc/01/08/80/1137010880.db2.gz JWFLXZJKJQDMEB-HXUWFJFHSA-N 0 3 343.471 3.603 20 30 EHEDHN CCN(CCNC(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000859533303 1137018881 /nfs/dbraw/zinc/01/88/81/1137018881.db2.gz IRSYHGZVRDJLTH-UHFFFAOYSA-N 0 3 345.487 3.834 20 30 EHEDHN C[C@H]1C[C@@H](CN(CCC#N)CC2CC2)CCN1C(=O)OC(C)(C)C ZINC000823437871 1137099661 /nfs/dbraw/zinc/09/96/61/1137099661.db2.gz QFOISNMIFNJELT-RDJZCZTQSA-N 0 3 335.492 3.648 20 30 EHEDHN CCN(CC)Cc1cncc(NC(=N)c2ccc3ccccc3n2)c1 ZINC001171048163 1137126792 /nfs/dbraw/zinc/12/67/92/1137126792.db2.gz KYIFVFRNMFAZJH-UHFFFAOYSA-N 0 3 333.439 3.509 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000777235263 1137134773 /nfs/dbraw/zinc/13/47/73/1137134773.db2.gz OKTXUZYOGNJULT-OAHLLOKOSA-N 0 3 335.403 3.767 20 30 EHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000824462825 1137140224 /nfs/dbraw/zinc/14/02/24/1137140224.db2.gz QNWGYZRSERNYGI-KGLIPLIRSA-N 0 3 325.368 3.736 20 30 EHEDHN N=C(N[C@H]1CCc2cc(Cl)cc(Cl)c2C1)c1ccc(F)cn1 ZINC001171064921 1137151022 /nfs/dbraw/zinc/15/10/22/1137151022.db2.gz UHQOZMFYZDSKKV-LBPRGKRZSA-N 0 3 338.213 3.790 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000825299541 1137171944 /nfs/dbraw/zinc/17/19/44/1137171944.db2.gz MYUVKROCQDZPMZ-INIZCTEOSA-N 0 3 347.434 3.575 20 30 EHEDHN CC(C)(C)OC(=O)C[C@H]1CCCCN1Cc1ccc(OCC#N)cc1 ZINC000844424156 1137219914 /nfs/dbraw/zinc/21/99/14/1137219914.db2.gz CHENBBDEXUQFMF-QGZVFWFLSA-N 0 3 344.455 3.675 20 30 EHEDHN CC(C)(C)OC(=O)NCCC1CCN(CC#Cc2ccccc2)CC1 ZINC000844443132 1137224267 /nfs/dbraw/zinc/22/42/67/1137224267.db2.gz GWKBRPZUWIJWTG-UHFFFAOYSA-N 0 3 342.483 3.665 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCCO2)cc1 ZINC000120028856 1137225440 /nfs/dbraw/zinc/22/54/40/1137225440.db2.gz KOXSUHKRUOKXFR-MSOLQXFVSA-N 0 3 342.439 3.636 20 30 EHEDHN CC1(C)OC2(CCN(Cc3cncc(C#N)c3)CC2)c2ccccc21 ZINC001144079598 1137237003 /nfs/dbraw/zinc/23/70/03/1137237003.db2.gz WNADNAVBZVNBOI-UHFFFAOYSA-N 0 3 333.435 3.710 20 30 EHEDHN N#Cc1cncc(CN2CC[C@@H](c3ccc(Br)cc3)C2)c1 ZINC001144079393 1137237092 /nfs/dbraw/zinc/23/70/92/1137237092.db2.gz MEJSCHGQNZMOCZ-MRXNPFEDSA-N 0 3 342.240 3.705 20 30 EHEDHN C=CCN1CCC(NC(=O)CCc2ccc(F)c3ccccc23)CC1 ZINC000865192629 1137267762 /nfs/dbraw/zinc/26/77/62/1137267762.db2.gz BPLPDKQBEVULTH-UHFFFAOYSA-N 0 3 340.442 3.678 20 30 EHEDHN CC(C)(C)OC(=O)N(CCCNCc1ccc(C#N)cc1F)C1CC1 ZINC000772920012 1137283702 /nfs/dbraw/zinc/28/37/02/1137283702.db2.gz TVKIVYWBBZIUQW-UHFFFAOYSA-N 0 3 347.434 3.577 20 30 EHEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000845441527 1137292187 /nfs/dbraw/zinc/29/21/87/1137292187.db2.gz QOPNVZMWIILXOH-MLGOLLRUSA-N 0 3 332.831 3.601 20 30 EHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cn(Cc2ccc(F)cc2)cn1 ZINC001171198343 1137308132 /nfs/dbraw/zinc/30/81/32/1137308132.db2.gz KPMVCCNQRWVYLU-INIZCTEOSA-N 0 3 348.425 3.663 20 30 EHEDHN C#Cc1ccc(CN2CCC[C@H](C(=O)OCc3ccccc3)C2)cc1 ZINC001144581272 1137310877 /nfs/dbraw/zinc/31/08/77/1137310877.db2.gz OBOVSLGRVPLZKA-NRFANRHFSA-N 0 3 333.431 3.623 20 30 EHEDHN CN(Cc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000846064214 1137332125 /nfs/dbraw/zinc/33/21/25/1137332125.db2.gz GEOIUCHZRFKYIS-CRAIPNDOSA-N 0 3 343.471 3.835 20 30 EHEDHN COc1cc2c(cc1OC)CN([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171221577 1137346102 /nfs/dbraw/zinc/34/61/02/1137346102.db2.gz PKVUQWUUUCFWED-HNNXBMFYSA-N 0 3 336.435 3.565 20 30 EHEDHN CC1(c2ccc(CN[C@@H]3CCc4ccc(C#N)cc43)cc2)OCCO1 ZINC000866423347 1137353496 /nfs/dbraw/zinc/35/34/96/1137353496.db2.gz PVOUOMGKRRVCJF-HXUWFJFHSA-N 0 3 334.419 3.555 20 30 EHEDHN COC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(Br)c1 ZINC000866597437 1137367705 /nfs/dbraw/zinc/36/77/05/1137367705.db2.gz SMWNDSQGJLRGAB-RCBQFDQVSA-N 0 3 337.261 3.809 20 30 EHEDHN COC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(Br)c1 ZINC000866597435 1137367825 /nfs/dbraw/zinc/36/78/25/1137367825.db2.gz SMWNDSQGJLRGAB-KCXAZCMYSA-N 0 3 337.261 3.809 20 30 EHEDHN C#CCOc1ccccc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000772988590 1137420364 /nfs/dbraw/zinc/42/03/64/1137420364.db2.gz ROTQFLYUOJSGFN-RXVVDRJESA-N 0 3 335.447 3.956 20 30 EHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000870117043 1137477616 /nfs/dbraw/zinc/47/76/16/1137477616.db2.gz UEENKBLVOFAVRH-VFSICIBPSA-N 0 3 349.434 3.535 20 30 EHEDHN Cc1ccc(C)c(N2CCN([C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172309704 1137545973 /nfs/dbraw/zinc/54/59/73/1137545973.db2.gz WFGQWCIJAFOQAE-IBGZPJMESA-N 0 3 333.479 3.928 20 30 EHEDHN C[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)CCN1C(=O)OC(C)(C)C ZINC000873115457 1137590397 /nfs/dbraw/zinc/59/03/97/1137590397.db2.gz OEZKMBUYJQQJFD-HIFRSBDPSA-N 0 3 347.434 3.575 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000876587769 1137656398 /nfs/dbraw/zinc/65/63/98/1137656398.db2.gz VIGOLOAIEZBLPG-YJBOKZPZSA-N 0 3 342.870 3.793 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000876607578 1137656921 /nfs/dbraw/zinc/65/69/21/1137656921.db2.gz XHMMHZHUHVGNKL-ABAIWWIYSA-N 0 3 327.255 3.862 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000876649658 1137658226 /nfs/dbraw/zinc/65/82/26/1137658226.db2.gz BUQCZCFUWAGAQW-GFCCVEGCSA-N 0 3 335.835 3.825 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000876941311 1137665959 /nfs/dbraw/zinc/66/59/59/1137665959.db2.gz KBAKPVWJTVJVKF-LBPRGKRZSA-N 0 3 345.668 3.981 20 30 EHEDHN CN(C)[C@@H](CNCc1cc(C#N)cnc1Cl)c1ccc(Cl)cc1 ZINC000877078396 1137669701 /nfs/dbraw/zinc/66/97/01/1137669701.db2.gz OHJYTCZGNJYINU-INIZCTEOSA-N 0 3 349.265 3.653 20 30 EHEDHN C=CCCC[C@@H](C)NCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877136430 1137671307 /nfs/dbraw/zinc/67/13/07/1137671307.db2.gz GVXNXFZXZIBYNU-CQSZACIVSA-N 0 3 349.475 3.843 20 30 EHEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000877376126 1137674984 /nfs/dbraw/zinc/67/49/84/1137674984.db2.gz BCDYWBOQAUISQC-SJORKVTESA-N 0 3 327.815 3.617 20 30 EHEDHN N#CCOc1ccc(CN2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001137122571 1137681679 /nfs/dbraw/zinc/68/16/79/1137681679.db2.gz ICBZHBFZXSMVBV-NRFANRHFSA-N 0 3 347.418 3.504 20 30 EHEDHN N#CCOc1ccc(CN2CCC3(CC(=O)c4ccccc43)CC2)cc1 ZINC001137122633 1137681859 /nfs/dbraw/zinc/68/18/59/1137681859.db2.gz LLGNBWIDSSJKPM-UHFFFAOYSA-N 0 3 346.430 3.709 20 30 EHEDHN CN(Cc1nc(C#N)cs1)C[C@H]1CCCCN1Cc1ccccc1 ZINC000877774695 1137689403 /nfs/dbraw/zinc/68/94/03/1137689403.db2.gz MYLAMVGPUAZPHX-GOSISDBHSA-N 0 3 340.496 3.501 20 30 EHEDHN COc1cc(CN2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)ccc1C#N ZINC000877783930 1137689481 /nfs/dbraw/zinc/68/94/81/1137689481.db2.gz KZZUJWKROSXABU-KRWDZBQOSA-N 0 3 338.455 3.793 20 30 EHEDHN COc1cc(CN2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)ccc1C#N ZINC000877783930 1137689482 /nfs/dbraw/zinc/68/94/82/1137689482.db2.gz KZZUJWKROSXABU-KRWDZBQOSA-N 0 3 338.455 3.793 20 30 EHEDHN C=CCCC[C@H](NCC(=O)Nc1c(C)nn(C)c1C)c1ccccc1 ZINC000880388781 1137777686 /nfs/dbraw/zinc/77/76/86/1137777686.db2.gz OSEOTMJLIIFMFT-SFHVURJKSA-N 0 3 340.471 3.663 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2F)CC1 ZINC000880893986 1137793313 /nfs/dbraw/zinc/79/33/13/1137793313.db2.gz XRMLYZYIIWYNRK-UHFFFAOYSA-N 0 3 346.233 3.904 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000129381887 1137818620 /nfs/dbraw/zinc/81/86/20/1137818620.db2.gz NOJCTPHHAUNEHJ-SOUVJXGZSA-N 0 3 332.469 3.565 20 30 EHEDHN N#Cc1ccc([C@H](O)CN2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000129403837 1137819892 /nfs/dbraw/zinc/81/98/92/1137819892.db2.gz QXVCHROTNLDUTO-HXUWFJFHSA-N 0 3 344.414 3.910 20 30 EHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000118394295 1137933583 /nfs/dbraw/zinc/93/35/83/1137933583.db2.gz MANUHGYGIIIASY-INIZCTEOSA-N 0 3 348.450 3.905 20 30 EHEDHN C[C@@H]1C[C@H]1c1ccc(CN(C[C@H](O)CC2(C#N)CCC2)C2CC2)o1 ZINC000885930989 1138026133 /nfs/dbraw/zinc/02/61/33/1138026133.db2.gz NMYGEAIKUDRWDP-QGPMSJSTSA-N 0 3 328.456 3.812 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CCC(=Cc3ccccc3F)CC2)CCC1 ZINC000886038134 1138034217 /nfs/dbraw/zinc/03/42/17/1138034217.db2.gz RGGPTWIPLRWGKS-GOSISDBHSA-N 0 3 328.431 3.750 20 30 EHEDHN C[C@H](COCc1ccccc1)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000886190362 1138057640 /nfs/dbraw/zinc/05/76/40/1138057640.db2.gz NWSPYLBFDKJUID-IBGZPJMESA-N 0 3 349.478 3.792 20 30 EHEDHN CSc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1C#N ZINC000886278710 1138063889 /nfs/dbraw/zinc/06/38/89/1138063889.db2.gz HIUNTXGKMBYGMV-AWEZNQCLSA-N 0 3 337.448 3.861 20 30 EHEDHN C#CCC1(NCc2cc(C)c(F)cc2Br)CCOCC1 ZINC000886379318 1138072501 /nfs/dbraw/zinc/07/25/01/1138072501.db2.gz WMMBKFXNQBSEDW-UHFFFAOYSA-N 0 3 340.236 3.559 20 30 EHEDHN C#CCC1(NCc2cc(Br)ccc2Cl)CCOCC1 ZINC000886381970 1138072810 /nfs/dbraw/zinc/07/28/10/1138072810.db2.gz ZXEQUVZVIYTXTN-UHFFFAOYSA-N 0 3 342.664 3.765 20 30 EHEDHN CC(C)(C)OC(=O)N(CCNCc1ccc(C#N)cc1)C(C)(C)C ZINC000302102250 1138713115 /nfs/dbraw/zinc/71/31/15/1138713115.db2.gz ZJCPRXLGKIQPPE-UHFFFAOYSA-N 0 3 331.460 3.683 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC3CCC3)c(F)c2)CC1 ZINC000175483657 1139494098 /nfs/dbraw/zinc/49/40/98/1139494098.db2.gz RKGUJVSJYLABIC-UHFFFAOYSA-N 0 3 347.434 3.529 20 30 EHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000178176445 1139677181 /nfs/dbraw/zinc/67/71/81/1139677181.db2.gz HCDSMZJFBOJOFF-HUUCEWRRSA-N 0 3 335.407 3.927 20 30 EHEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)c(C#N)c1C ZINC000179689888 1139775202 /nfs/dbraw/zinc/77/52/02/1139775202.db2.gz XGNXTLJWZNOVJC-UGSOOPFHSA-N 0 3 337.423 3.836 20 30 EHEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C)c2ccccc2)c1C ZINC000181365118 1139902805 /nfs/dbraw/zinc/90/28/05/1139902805.db2.gz CXMQTJUPVYSWGG-SFHVURJKSA-N 0 3 335.451 3.901 20 30 EHEDHN C[C@@H](NCc1cccc(CN2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000181489394 1139910163 /nfs/dbraw/zinc/91/01/63/1139910163.db2.gz YHDYTNGCCNKHMM-MRXNPFEDSA-N 0 3 333.435 3.531 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\CC[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000777403001 1140076772 /nfs/dbraw/zinc/07/67/72/1140076772.db2.gz VQZUWPYIEKPKOP-NCJDQSJGSA-N 0 3 340.467 3.955 20 30 EHEDHN C=CCN(CCc1ccccc1)Cc1cc(-c2cnn(C)c2C)no1 ZINC000184480960 1140104819 /nfs/dbraw/zinc/10/48/19/1140104819.db2.gz DFOCNVSDOKUWOT-UHFFFAOYSA-N 0 3 336.439 3.614 20 30 EHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000184971457 1140128105 /nfs/dbraw/zinc/12/81/05/1140128105.db2.gz OQDYBTUNWMHXGQ-LPHOPBHVSA-N 0 3 330.472 3.551 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000188825899 1140309773 /nfs/dbraw/zinc/30/97/73/1140309773.db2.gz MWQRGHPETXPPBN-MRXNPFEDSA-N 0 3 333.435 3.970 20 30 EHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000190506246 1140407068 /nfs/dbraw/zinc/40/70/68/1140407068.db2.gz ZKWPGHSCECZSSA-CQSZACIVSA-N 0 3 325.387 3.697 20 30 EHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000190872104 1140422720 /nfs/dbraw/zinc/42/27/20/1140422720.db2.gz QADHKPRWQQOMHU-LBPRGKRZSA-N 0 3 337.345 3.689 20 30 EHEDHN N#Cc1cc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC000192055950 1140500179 /nfs/dbraw/zinc/50/01/79/1140500179.db2.gz LJQMMWDQBUWSCB-QZTJIDSGSA-N 0 3 330.790 3.971 20 30 EHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000268953331 1141032545 /nfs/dbraw/zinc/03/25/45/1141032545.db2.gz YCDRWPJSXUOWDM-HZPDHXFCSA-N 0 3 348.446 3.629 20 30 EHEDHN C=CCC[C@@H](CC)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000269045960 1141054953 /nfs/dbraw/zinc/05/49/53/1141054953.db2.gz HLKVPAUHJCQPHN-MRXNPFEDSA-N 0 3 343.496 3.908 20 30 EHEDHN CC(C)(NCc1ccc(C#N)o1)[C@H](O)c1ccc(Br)cc1 ZINC000273876452 1141438622 /nfs/dbraw/zinc/43/86/22/1141438622.db2.gz PUWXSPZOAICAMG-OAHLLOKOSA-N 0 3 349.228 3.516 20 30 EHEDHN COCCc1nc(C)c([C@@H](C)NCc2ccc(C)c(C#N)c2)s1 ZINC000926963342 1032059696 /nfs/dbraw/zinc/05/96/96/1032059696.db2.gz DMSLWRUFXFPERM-CYBMUJFWSA-N 0 3 329.469 3.671 20 30 EHEDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000538000951 1032092377 /nfs/dbraw/zinc/09/23/77/1032092377.db2.gz SCTOVTHQYASWGL-OAQYLSRUSA-N 0 3 347.462 3.716 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](CC3CC3)C2)c1 ZINC000339670322 1015491758 /nfs/dbraw/zinc/49/17/58/1015491758.db2.gz BBTJWSOQQAOSQB-LJQANCHMSA-N 0 3 339.483 3.672 20 30 EHEDHN Cc1cccc2c1ncc(C#N)c2NC[C@@H](c1ccsc1)N(C)C ZINC000610245775 1016046838 /nfs/dbraw/zinc/04/68/38/1016046838.db2.gz GPGBWVPPZROMOA-KRWDZBQOSA-N 0 3 336.464 3.613 20 30 EHEDHN C#CCN(Cc1ccc(-n2ccnc2)cc1)[C@H]1CCc2ccccc21 ZINC001167178820 1016488772 /nfs/dbraw/zinc/48/87/72/1016488772.db2.gz LUPWRRVJMMWEAG-QFIPXVFZSA-N 0 3 327.431 3.995 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000178569123 1016719804 /nfs/dbraw/zinc/71/98/04/1016719804.db2.gz JKKDKPMGUDBKBK-DNVCBOLYSA-N 0 3 348.450 3.651 20 30 EHEDHN COCOc1ccc(C#N)cc1-c1ccc(F)c(CNC2CC2)c1 ZINC000904886089 1032272997 /nfs/dbraw/zinc/27/29/97/1032272997.db2.gz XWIWGMOFDRRAIS-UHFFFAOYSA-N 0 3 326.371 3.599 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2ccsc2C(F)(F)F)CC1 ZINC000528451263 1032322211 /nfs/dbraw/zinc/32/22/11/1032322211.db2.gz WLIJSUZUZMWUII-UHFFFAOYSA-N 0 3 332.391 3.537 20 30 EHEDHN CC(C)(CC#N)CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000459697504 1032423521 /nfs/dbraw/zinc/42/35/21/1032423521.db2.gz PWCLJACYSKMFJI-UHFFFAOYSA-N 0 3 347.260 3.664 20 30 EHEDHN N#Cc1c(F)cccc1CN[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000602015565 1032581988 /nfs/dbraw/zinc/58/19/88/1032581988.db2.gz MZFWLOWAWAVPBS-APWZRJJASA-N 0 3 328.362 3.846 20 30 EHEDHN Cc1ccccc1[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000537290770 1032598307 /nfs/dbraw/zinc/59/83/07/1032598307.db2.gz JXVLAHPBPMMTDE-VQIMIIECSA-N 0 3 339.483 3.767 20 30 EHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCN(c2ccccc2)C1 ZINC000639162222 1017712638 /nfs/dbraw/zinc/71/26/38/1017712638.db2.gz QLJYTYZJNMROKU-GOSISDBHSA-N 0 3 340.467 3.677 20 30 EHEDHN C[C@H]1CC(F)(F)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000528765606 1032764006 /nfs/dbraw/zinc/76/40/06/1032764006.db2.gz DTQSSXJGSRXQTM-RYUDHWBXSA-N 0 3 349.406 3.592 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449547691 1032765326 /nfs/dbraw/zinc/76/53/26/1032765326.db2.gz JNQRRTSEHKVVAK-SJORKVTESA-N 0 3 328.368 3.678 20 30 EHEDHN CC[C@@H](N[C@@H](CC)C(=O)NCc1cccs1)c1ccc(C#N)cc1 ZINC000592397881 1032772082 /nfs/dbraw/zinc/77/20/82/1032772082.db2.gz UYCBUVCEJXBVHG-MSOLQXFVSA-N 0 3 341.480 3.755 20 30 EHEDHN N#CCOc1ccc(CN2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000729267088 1019255661 /nfs/dbraw/zinc/25/56/61/1019255661.db2.gz IZHJJNUCHQWRTE-OAQYLSRUSA-N 0 3 336.435 3.535 20 30 EHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(N2CCCC2)nc1 ZINC000561138600 1019567968 /nfs/dbraw/zinc/56/79/68/1019567968.db2.gz SBIMYQFNMZEJKN-HXUWFJFHSA-N 0 3 332.451 3.721 20 30 EHEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000182646497 1019732333 /nfs/dbraw/zinc/73/23/33/1019732333.db2.gz SGWDYEAMEOQVMM-CQSZACIVSA-N 0 3 333.391 3.984 20 30 EHEDHN C=CCOc1ccc(CN2CCC[C@H](OC3CCC3)C2)cc1OC ZINC000656272143 1019855302 /nfs/dbraw/zinc/85/53/02/1019855302.db2.gz PKGSRDJWZMMATC-SFHVURJKSA-N 0 3 331.456 3.794 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC000602559728 1032972619 /nfs/dbraw/zinc/97/26/19/1032972619.db2.gz PRZBNTDUDWAVEF-WOJBJXKFSA-N 0 3 347.462 3.598 20 30 EHEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)C1 ZINC000664874793 1021394034 /nfs/dbraw/zinc/39/40/34/1021394034.db2.gz QDMIGQNOYAIPLD-BRWVUGGUSA-N 0 3 333.476 3.707 20 30 EHEDHN CCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000140319778 1021539405 /nfs/dbraw/zinc/53/94/05/1021539405.db2.gz LGCNTRHUTGSTKW-JTQLQIEISA-N 0 3 347.827 3.629 20 30 EHEDHN C=C(C)COc1cccc(NC(=O)N(CCN(C)C)CC(C)C)c1 ZINC000426583945 1021985267 /nfs/dbraw/zinc/98/52/67/1021985267.db2.gz MXEPHUUPKDLSDY-UHFFFAOYSA-N 0 3 333.476 3.693 20 30 EHEDHN COC(=O)c1ccc(CNCC(C)(C)CC#N)c(C(F)(F)F)c1 ZINC000894987661 1022359037 /nfs/dbraw/zinc/35/90/37/1022359037.db2.gz VTFRAQIYSKYSQQ-UHFFFAOYSA-N 0 3 328.334 3.521 20 30 EHEDHN CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC1CC1 ZINC000112983051 1022368514 /nfs/dbraw/zinc/36/85/14/1022368514.db2.gz IFKCARDBNGKGGX-AWEZNQCLSA-N 0 3 331.485 3.609 20 30 EHEDHN C[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000328702740 1022471654 /nfs/dbraw/zinc/47/16/54/1022471654.db2.gz JSRKEEWHBKMVAS-ZWQIFLOQSA-N 0 3 338.455 3.804 20 30 EHEDHN CC(C)[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000330372235 1022569647 /nfs/dbraw/zinc/56/96/47/1022569647.db2.gz BFTGUQNMQMVAFS-QAPCUYQASA-N 0 3 345.462 3.844 20 30 EHEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000330850273 1022697165 /nfs/dbraw/zinc/69/71/65/1022697165.db2.gz DVOJWXSLUYGFBZ-QRWLVFNGSA-N 0 3 332.488 3.630 20 30 EHEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccoc1 ZINC000126590477 1022897053 /nfs/dbraw/zinc/89/70/53/1022897053.db2.gz QJXLXBWXYGDYSH-GFCCVEGCSA-N 0 3 336.319 3.555 20 30 EHEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000536339560 1022917820 /nfs/dbraw/zinc/91/78/20/1022917820.db2.gz UATLJUIXJVQNNR-RTBURBONSA-N 0 3 343.833 3.886 20 30 EHEDHN CN(C)[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000426129404 1022965525 /nfs/dbraw/zinc/96/55/25/1022965525.db2.gz RIUJAOUSEZMBMR-QGZVFWFLSA-N 0 3 342.830 3.636 20 30 EHEDHN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000341761514 1023277838 /nfs/dbraw/zinc/27/78/38/1023277838.db2.gz PJUIZFSDQBIQLH-QGZVFWFLSA-N 0 3 337.379 3.642 20 30 EHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000187669164 1023484935 /nfs/dbraw/zinc/48/49/35/1023484935.db2.gz VSTAFWVTTXNGFJ-IEBWSBKVSA-N 0 3 347.462 3.761 20 30 EHEDHN C=CCOc1ccc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000092754554 1023499026 /nfs/dbraw/zinc/49/90/26/1023499026.db2.gz YZEFOQMIJFCSPQ-KRWDZBQOSA-N 0 3 344.499 3.624 20 30 EHEDHN CCN(CCC#N)C(=O)CN[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000341883580 1023534247 /nfs/dbraw/zinc/53/42/47/1023534247.db2.gz FOLIMLMAPHASGN-QGZVFWFLSA-N 0 3 335.879 3.779 20 30 EHEDHN C=CCC[C@@H](NCC(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000341932552 1023705029 /nfs/dbraw/zinc/70/50/29/1023705029.db2.gz PWIKSFSBRHYNFK-LJQANCHMSA-N 0 3 326.415 3.739 20 30 EHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000535892986 1023962585 /nfs/dbraw/zinc/96/25/85/1023962585.db2.gz SLBFKVVFQDBSCA-LJQANCHMSA-N 0 3 341.499 3.665 20 30 EHEDHN C=CCCCCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000474077261 1024002670 /nfs/dbraw/zinc/00/26/70/1024002670.db2.gz DSIZIUGIHYWRLC-UHFFFAOYSA-N 0 3 337.895 3.770 20 30 EHEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000329847561 1024220354 /nfs/dbraw/zinc/22/03/54/1024220354.db2.gz MUGPROWYCNLBKJ-GASCZTMLSA-N 0 3 331.460 3.732 20 30 EHEDHN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCCC2(C1)CCCCCC2 ZINC000329944353 1024260192 /nfs/dbraw/zinc/26/01/92/1024260192.db2.gz IIQRMCJQPJWTBM-KRWDZBQOSA-N 0 3 344.503 3.796 20 30 EHEDHN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCCC1(C)C)C2 ZINC000330229174 1024362360 /nfs/dbraw/zinc/36/23/60/1024362360.db2.gz CVYSVMJITWWXDM-UONOGXRCSA-N 0 3 332.492 3.578 20 30 EHEDHN C=CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000434804836 1024435939 /nfs/dbraw/zinc/43/59/39/1024435939.db2.gz VKAUYNBWWHRXDM-UHFFFAOYSA-N 0 3 349.434 3.584 20 30 EHEDHN C=CCc1cc(CN2CCC3(CCCCO3)CC2)cc(OC)c1O ZINC000895653645 1024691668 /nfs/dbraw/zinc/69/16/68/1024691668.db2.gz KDXQTKRBEVFNFK-UHFFFAOYSA-N 0 3 331.456 3.664 20 30 EHEDHN C[C@H]1CCCC[C@@H]1OCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507850204 1024729249 /nfs/dbraw/zinc/72/92/49/1024729249.db2.gz WGJVSUADUACTJQ-UWJYYQICSA-N 0 3 342.483 3.997 20 30 EHEDHN C=CCC1(O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000895835948 1024902542 /nfs/dbraw/zinc/90/25/42/1024902542.db2.gz RQANZKHZGMNNHW-UHFFFAOYSA-N 0 3 342.395 3.758 20 30 EHEDHN N#Cc1ccc(OC2CCC(Nc3ccnc4ccccc43)CC2)nc1 ZINC000508330975 1025027127 /nfs/dbraw/zinc/02/71/27/1025027127.db2.gz XJABDTOVYLWJAW-UHFFFAOYSA-N 0 3 344.418 3.725 20 30 EHEDHN Cc1ccc(C(=O)NC2CCN([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000602931443 1033260381 /nfs/dbraw/zinc/26/03/81/1033260381.db2.gz ADHYHANQRGOHLA-QGZVFWFLSA-N 0 3 347.462 3.822 20 30 EHEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000897990915 1033285199 /nfs/dbraw/zinc/28/51/99/1033285199.db2.gz GXTSBRALWWTSSJ-OXJNMPFZSA-N 0 3 335.451 3.596 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000178563092 1025973547 /nfs/dbraw/zinc/97/35/47/1025973547.db2.gz SITQSBUWRKPIKT-HXUWFJFHSA-N 0 3 348.450 3.825 20 30 EHEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2Br)[C@@H]2CCCO[C@@H]21 ZINC000451483082 1026029258 /nfs/dbraw/zinc/02/92/58/1026029258.db2.gz XHAJKPITGPGJBR-IMJJTQAJSA-N 0 3 349.272 3.614 20 30 EHEDHN COC(=O)C1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000023622855 1026351638 /nfs/dbraw/zinc/35/16/38/1026351638.db2.gz OYKGEZDFELTITB-UHFFFAOYSA-N 0 3 334.419 3.610 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)c3c2cccc3Cl)CC1 ZINC000530990746 1026467371 /nfs/dbraw/zinc/46/73/71/1026467371.db2.gz FFCIVMFIVPHXHT-UHFFFAOYSA-N 0 3 347.890 3.798 20 30 EHEDHN COc1ccc(CN[C@H](C)c2ccccc2-n2cccn2)cc1C#N ZINC000151857117 1026962672 /nfs/dbraw/zinc/96/26/72/1026962672.db2.gz XBBWMOSZTYXTOX-OAHLLOKOSA-N 0 3 332.407 3.603 20 30 EHEDHN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075745748 1027165880 /nfs/dbraw/zinc/16/58/80/1027165880.db2.gz JFSHUNRVMURESA-HNAYVOBHSA-N 0 3 344.418 3.986 20 30 EHEDHN N#CCc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000076085147 1027238591 /nfs/dbraw/zinc/23/85/91/1027238591.db2.gz PWEXTHNMODPQKS-HXUWFJFHSA-N 0 3 348.450 3.711 20 30 EHEDHN C=CCN1CCC(Nc2ncc(Cl)cc2Br)CC1 ZINC000302710700 1027250972 /nfs/dbraw/zinc/25/09/72/1027250972.db2.gz WZCPJANIZMXVRB-UHFFFAOYSA-N 0 3 330.657 3.560 20 30 EHEDHN C=CCN1CCC(NC(=O)CCCc2ccc(CC(C)C)cc2)CC1 ZINC000513777953 1027253131 /nfs/dbraw/zinc/25/31/31/1027253131.db2.gz DXQFKJMIHXOFCH-UHFFFAOYSA-N 0 3 342.527 3.974 20 30 EHEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000533425811 1027852575 /nfs/dbraw/zinc/85/25/75/1027852575.db2.gz IRHATXIEVDZQEF-MRXNPFEDSA-N 0 3 346.471 3.853 20 30 EHEDHN N#Cc1cccc(NC(=O)CCN[C@H](CC(F)F)c2ccccc2)c1 ZINC000420992129 1027970898 /nfs/dbraw/zinc/97/08/98/1027970898.db2.gz KCLWSRCQEGZTMC-QGZVFWFLSA-N 0 3 343.377 3.873 20 30 EHEDHN C=CCN1CCC(NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)CC1 ZINC000455483346 1028251899 /nfs/dbraw/zinc/25/18/99/1028251899.db2.gz DYNNGIYZKWWPQB-CYBMUJFWSA-N 0 3 340.389 3.733 20 30 EHEDHN C=CCCC[C@@H](C)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000091508088 1028266602 /nfs/dbraw/zinc/26/66/02/1028266602.db2.gz DCNQZRQENVOPKQ-OAHLLOKOSA-N 0 3 331.460 3.650 20 30 EHEDHN COC(=O)c1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502508284 1028272380 /nfs/dbraw/zinc/27/23/80/1028272380.db2.gz QTOMFTKWAYRFNW-UHFFFAOYSA-N 0 3 332.403 3.634 20 30 EHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000053718066 1028348141 /nfs/dbraw/zinc/34/81/41/1028348141.db2.gz ZRMSAFLXTOBHSC-MRXNPFEDSA-N 0 3 343.427 3.925 20 30 EHEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1Cl ZINC000008173066 1028480225 /nfs/dbraw/zinc/48/02/25/1028480225.db2.gz XUFSOIZYDXFKNE-NSHDSACASA-N 0 3 333.844 3.953 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)Cc2ccccc2C)CC1 ZINC000445074585 1028522206 /nfs/dbraw/zinc/52/22/06/1028522206.db2.gz JYPMOXWVRUSSPA-GOSISDBHSA-N 0 3 343.515 3.608 20 30 EHEDHN CN(C[C@H]1CCCN1C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000421705871 1028701333 /nfs/dbraw/zinc/70/13/33/1028701333.db2.gz SOGXNMILRLRRNV-GOSISDBHSA-N 0 3 349.434 3.517 20 30 EHEDHN Cc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1[N+](=O)[O-] ZINC000729685734 1028755490 /nfs/dbraw/zinc/75/54/90/1028755490.db2.gz HJZYKUMUXLPHNI-CQSZACIVSA-N 0 3 325.368 3.656 20 30 EHEDHN CCCCc1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1 ZINC000424063785 1028771927 /nfs/dbraw/zinc/77/19/27/1028771927.db2.gz IUCNYEAPANDGHY-OALUTQOASA-N 0 3 329.488 3.864 20 30 EHEDHN CCC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424108964 1028804637 /nfs/dbraw/zinc/80/46/37/1028804637.db2.gz AEZAWRVQJCLWEJ-GJZGRUSLSA-N 0 3 342.270 3.972 20 30 EHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](c2ccccc2)CC1 ZINC000524071136 1028810705 /nfs/dbraw/zinc/81/07/05/1028810705.db2.gz MFIGKGHBCZQBHO-QFUCXCTJSA-N 0 3 341.499 3.699 20 30 EHEDHN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424122794 1028820600 /nfs/dbraw/zinc/82/06/00/1028820600.db2.gz JSURTSLUWWLOLE-OXQOHEQNSA-N 0 3 335.451 3.894 20 30 EHEDHN CN(C)CCN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000176406082 1028895604 /nfs/dbraw/zinc/89/56/04/1028895604.db2.gz SOJUFDXRPIYTCL-UHFFFAOYSA-N 0 3 334.851 3.550 20 30 EHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OCCOC)cc2)cc1 ZINC000154071683 1028968252 /nfs/dbraw/zinc/96/82/52/1028968252.db2.gz JVVCQJMQAHZCMZ-KRWDZBQOSA-N 0 3 339.435 3.575 20 30 EHEDHN CN(CC#Cc1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000154284755 1029043697 /nfs/dbraw/zinc/04/36/97/1029043697.db2.gz YPCGNKPJLOZEBX-UHFFFAOYSA-N 0 3 346.446 3.509 20 30 EHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C(C)C)C2CCC2)c1 ZINC000077358256 1029104444 /nfs/dbraw/zinc/10/44/44/1029104444.db2.gz BVYGWJHUFTUXNP-UHFFFAOYSA-N 0 3 327.472 3.813 20 30 EHEDHN C[C@H](c1ccccc1F)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000324849172 1029182422 /nfs/dbraw/zinc/18/24/22/1029182422.db2.gz FIUYIPYRHGJVQM-CQSZACIVSA-N 0 3 325.387 3.719 20 30 EHEDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000445882393 1029191702 /nfs/dbraw/zinc/19/17/02/1029191702.db2.gz ADLFNLNJMXQVBP-CYBMUJFWSA-N 0 3 347.768 3.717 20 30 EHEDHN CC1(C#N)CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000272560125 1029513216 /nfs/dbraw/zinc/51/32/16/1029513216.db2.gz LPUXAGUXHYCMLG-UHFFFAOYSA-N 0 3 339.361 3.660 20 30 EHEDHN N#Cc1ccc(OCCN2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000533342483 1029638780 /nfs/dbraw/zinc/63/87/80/1029638780.db2.gz HWWAQIGZXVPYEN-UHFFFAOYSA-N 0 3 344.418 3.603 20 30 EHEDHN C[C@H]1CN(CCC(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 ZINC000248337689 1029676466 /nfs/dbraw/zinc/67/64/66/1029676466.db2.gz HNHKFIRTNWQXRR-SUMWQHHRSA-N 0 3 325.437 3.641 20 30 EHEDHN COC(=O)c1cccc(CN2CC[C@H](c3ccccc3)[C@@H]2C)c1C#N ZINC000533758076 1029787948 /nfs/dbraw/zinc/78/79/48/1029787948.db2.gz GNTMGTMGWGPFOU-YJBOKZPZSA-N 0 3 334.419 3.723 20 30 EHEDHN CC1=CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000533760583 1029790139 /nfs/dbraw/zinc/79/01/39/1029790139.db2.gz GKZCQFHRAPAMHD-CQSZACIVSA-N 0 3 343.496 3.725 20 30 EHEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000481765245 1029931497 /nfs/dbraw/zinc/93/14/97/1029931497.db2.gz IXMPCDARWROILF-NVXWUHKLSA-N 0 3 338.398 3.843 20 30 EHEDHN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)c1cccc(C#N)c1 ZINC000453377063 1030199967 /nfs/dbraw/zinc/19/99/67/1030199967.db2.gz PPBKCFWIZKMWGC-VLQPXKRTSA-N 0 3 338.455 3.603 20 30 EHEDHN CN(C)Cc1cccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000075536617 1030428477 /nfs/dbraw/zinc/42/84/77/1030428477.db2.gz NJHGMEFMUWGGPD-RTWAWAEBSA-N 0 3 347.462 3.660 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000093124436 1030562729 /nfs/dbraw/zinc/56/27/29/1030562729.db2.gz UWOBDFJVTZXZGP-LJQANCHMSA-N 0 3 345.462 3.543 20 30 EHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000476615046 1030730636 /nfs/dbraw/zinc/73/06/36/1030730636.db2.gz YDQOCJPUOFAEMH-QGZVFWFLSA-N 0 3 349.478 3.738 20 30 EHEDHN Cn1cc(CNCc2ccc(OCc3ccccc3)cc2)cc1C#N ZINC000190773782 1030936658 /nfs/dbraw/zinc/93/66/58/1030936658.db2.gz DXYCQNIXBWVKMY-UHFFFAOYSA-N 0 3 331.419 3.766 20 30 EHEDHN C[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccc(C#N)cc1F ZINC000926915922 1031258172 /nfs/dbraw/zinc/25/81/72/1031258172.db2.gz MTHNGZKGNIWZIV-JVLSTEMRSA-N 0 3 330.325 3.848 20 30 EHEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccnc1OC1CCCC1 ZINC000329599642 1031274454 /nfs/dbraw/zinc/27/44/54/1031274454.db2.gz WURXPZZLOVYSOV-HUUCEWRRSA-N 0 3 331.460 3.732 20 30 EHEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000477192420 1031324070 /nfs/dbraw/zinc/32/40/70/1031324070.db2.gz UOOIANLXAIXVON-SBHAEUEKSA-N 0 3 341.499 3.699 20 30 EHEDHN Cc1ccccc1[C@H](C)N(CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)C ZINC000551723260 1031602464 /nfs/dbraw/zinc/60/24/64/1031602464.db2.gz ZARVEMGNNRXMDU-UWJYYQICSA-N 0 3 341.499 3.823 20 30 EHEDHN N#CCc1cccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000455910727 1031956217 /nfs/dbraw/zinc/95/62/17/1031956217.db2.gz CZQBNNUPQNKLJN-FQEVSTJZSA-N 0 3 348.450 3.539 20 30 EHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000594428574 1033365858 /nfs/dbraw/zinc/36/58/58/1033365858.db2.gz ZHNOMJBTNIELHY-MRXNPFEDSA-N 0 3 347.509 3.750 20 30 EHEDHN CCN(C(=O)[C@H](N)CCCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000594431275 1033370033 /nfs/dbraw/zinc/37/00/33/1033370033.db2.gz KTUOFMRBRXDTEQ-GOEBONIOSA-N 0 3 327.428 3.754 20 30 EHEDHN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594441850 1033375138 /nfs/dbraw/zinc/37/51/38/1033375138.db2.gz AGFCFIVWHSRFAH-QRQLOZEOSA-N 0 3 327.472 3.706 20 30 EHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000594425262 1033388755 /nfs/dbraw/zinc/38/87/55/1033388755.db2.gz HBUPYFCISPRHOO-IBGZPJMESA-N 0 3 345.462 3.898 20 30 EHEDHN Cc1ccccc1CN(Cc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594426941 1033389134 /nfs/dbraw/zinc/38/91/34/1033389134.db2.gz GPGBZDYTJWICPO-OAQYLSRUSA-N 0 3 349.478 3.935 20 30 EHEDHN Cc1ccc(-c2csc(NC(=O)[C@@H](N)CCCCC#N)n2)s1 ZINC000594427660 1033389808 /nfs/dbraw/zinc/38/98/08/1033389808.db2.gz VVNRITOSNZCUFC-NSHDSACASA-N 0 3 334.470 3.530 20 30 EHEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCc3ccccc3NC2=O)cc1 ZINC000594511126 1033415820 /nfs/dbraw/zinc/41/58/20/1033415820.db2.gz RGZPAMAQZKAUQT-LJQANCHMSA-N 0 3 333.435 3.531 20 30 EHEDHN Cc1nn(-c2ccncc2)cc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594517372 1033425497 /nfs/dbraw/zinc/42/54/97/1033425497.db2.gz BHMQCFMUASLRFM-UHFFFAOYSA-N 0 3 343.434 3.616 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 ZINC000106038830 1033529870 /nfs/dbraw/zinc/52/98/70/1033529870.db2.gz TVGXQIRNWOEQLS-AWEZNQCLSA-N 0 3 332.513 3.643 20 30 EHEDHN N#CC1(c2ccc(CNCc3ccc4c(c3)OCCCO4)cc2)CC1 ZINC000594928273 1033548732 /nfs/dbraw/zinc/54/87/32/1033548732.db2.gz URZBYKARJKTOQE-UHFFFAOYSA-N 0 3 334.419 3.693 20 30 EHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000594937448 1033586084 /nfs/dbraw/zinc/58/60/84/1033586084.db2.gz ISJKODBODNVNIK-PZJWPPBQSA-N 0 3 334.419 3.503 20 30 EHEDHN Cc1c(Br)cncc1CNCc1ccc(CC#N)cc1 ZINC000594949962 1033594253 /nfs/dbraw/zinc/59/42/53/1033594253.db2.gz JNSRMKVQCUYBNP-UHFFFAOYSA-N 0 3 330.229 3.508 20 30 EHEDHN N#Cc1ccc(CCN2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000595484741 1033808897 /nfs/dbraw/zinc/80/88/97/1033808897.db2.gz SGGMOAXDFNVLHV-UHFFFAOYSA-N 0 3 349.409 3.655 20 30 EHEDHN N#Cc1ccc(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000609042699 1033991912 /nfs/dbraw/zinc/99/19/12/1033991912.db2.gz IDEBDMQAQQVVBR-FQEVSTJZSA-N 0 3 348.450 3.907 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858216 1034011719 /nfs/dbraw/zinc/01/17/19/1034011719.db2.gz TUGLJJLCDYETEM-RQWRQBNFSA-N 0 3 343.446 3.724 20 30 EHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599580865 1034022292 /nfs/dbraw/zinc/02/22/92/1034022292.db2.gz GYXVIHPNHJWJGC-VKJFTORMSA-N 0 3 328.456 3.919 20 30 EHEDHN COc1cc(OC)cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647371641 1034055562 /nfs/dbraw/zinc/05/55/62/1034055562.db2.gz VKNAEECOQYNIFL-CQSZACIVSA-N 0 3 328.393 3.528 20 30 EHEDHN Cc1cc(C#N)cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000593170345 1034193330 /nfs/dbraw/zinc/19/33/30/1034193330.db2.gz KTKAHCYWSIEOBJ-KBPBESRZSA-N 0 3 326.318 3.553 20 30 EHEDHN Cn1ncc2c1CC(C)(C)CN(Cc1ccccc1C(C)(C)C#N)C2 ZINC000596599322 1034313679 /nfs/dbraw/zinc/31/36/79/1034313679.db2.gz UCZNWHJZSRKPNT-UHFFFAOYSA-N 0 3 336.483 3.806 20 30 EHEDHN C=CCC(CC=C)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456349538 1034339235 /nfs/dbraw/zinc/33/92/35/1034339235.db2.gz VWHNAMQSRFDZTA-SFHVURJKSA-N 0 3 326.484 3.735 20 30 EHEDHN CCc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)N(C)C)cc1 ZINC000096704636 1034562538 /nfs/dbraw/zinc/56/25/38/1034562538.db2.gz PZTZOZRAHXGMES-IBGZPJMESA-N 0 3 336.439 3.545 20 30 EHEDHN CCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000364479935 1034655172 /nfs/dbraw/zinc/65/51/72/1034655172.db2.gz CXDHZNRQMXBLNO-DYESRHJHSA-N 0 3 347.462 3.856 20 30 EHEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCCCC2 ZINC000584472938 1034777422 /nfs/dbraw/zinc/77/74/22/1034777422.db2.gz KWDJBMUDBUSJPJ-MSOLQXFVSA-N 0 3 343.427 3.684 20 30 EHEDHN CC[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccc(C)cc1 ZINC000121361818 1034844266 /nfs/dbraw/zinc/84/42/66/1034844266.db2.gz AZNGURQDHRADLJ-FQEVSTJZSA-N 0 3 335.451 3.983 20 30 EHEDHN CCCc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930198 1034953843 /nfs/dbraw/zinc/95/38/43/1034953843.db2.gz ZNNJDZDRMFQFPG-UHFFFAOYSA-N 0 3 349.478 3.715 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000152939185 1035524084 /nfs/dbraw/zinc/52/40/84/1035524084.db2.gz DVZLCHHVEBOYJD-GOSISDBHSA-N 0 3 345.487 3.947 20 30 EHEDHN C[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000174444071 1035984822 /nfs/dbraw/zinc/98/48/22/1035984822.db2.gz VGWRCXJWOKLHRN-QGZVFWFLSA-N 0 3 348.450 3.687 20 30 EHEDHN COc1ccc2c(c1)CC[C@@H](C(=O)C(C#N)c1nc3ccccc3o1)C2 ZINC000892553680 1036019371 /nfs/dbraw/zinc/01/93/71/1036019371.db2.gz RUALPXNAUOCFJJ-WBVHZDCISA-N 0 3 346.386 3.818 20 30 EHEDHN N#Cc1ccc(OCCN[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000090107364 1036039018 /nfs/dbraw/zinc/03/90/18/1036039018.db2.gz QXJZWSYWUKXBOR-SFHVURJKSA-N 0 3 326.371 3.580 20 30 EHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000588979027 1036210848 /nfs/dbraw/zinc/21/08/48/1036210848.db2.gz UECBXCGOLVVADJ-UHFFFAOYSA-N 0 3 332.806 3.999 20 30 EHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C(C)(C)C)C1 ZINC000541390900 1036249631 /nfs/dbraw/zinc/24/96/31/1036249631.db2.gz UYWANYXXTAHJIV-HOTGVXAUSA-N 0 3 345.462 3.829 20 30 EHEDHN C=CCN(CCC(=O)Nc1ccccc1F)Cc1ccc(OC)cc1 ZINC000056495770 1036328617 /nfs/dbraw/zinc/32/86/17/1036328617.db2.gz VGVATLNVNGLOHE-UHFFFAOYSA-N 0 3 342.414 3.851 20 30 EHEDHN Cn1nccc1-c1ccccc1CNCc1ccc(C#N)c(Cl)c1 ZINC000590068389 1036749778 /nfs/dbraw/zinc/74/97/78/1036749778.db2.gz CJRUMFWXIYJQCU-UHFFFAOYSA-N 0 3 336.826 3.902 20 30 EHEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@@H]1c1cccc(C)c1C ZINC000464782221 1036778002 /nfs/dbraw/zinc/77/80/02/1036778002.db2.gz VZLWUTXWWFNGSQ-OXJNMPFZSA-N 0 3 341.499 3.839 20 30 EHEDHN C[C@H](N[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000414347862 1036859418 /nfs/dbraw/zinc/85/94/18/1036859418.db2.gz NVTZEQQCDMYLDO-XJKSGUPXSA-N 0 3 327.378 3.766 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2cc(C)ccc2C)CC1 ZINC000177959288 1036976942 /nfs/dbraw/zinc/97/69/42/1036976942.db2.gz AGJKJBFGSWXPFK-HXUWFJFHSA-N 0 3 341.499 3.800 20 30 EHEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000462472282 1037016045 /nfs/dbraw/zinc/01/60/45/1037016045.db2.gz XPIWMWCBEJOCBY-MPGHIAIKSA-N 0 3 339.439 3.500 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)c2ccc(C)cc2)CC1 ZINC000106275527 1037320319 /nfs/dbraw/zinc/32/03/19/1037320319.db2.gz JAAIBBCAXZZXSY-LJQANCHMSA-N 0 3 329.488 3.786 20 30 EHEDHN N#Cc1cc(F)ccc1CNC1(Cc2cccc(F)c2)CCOCC1 ZINC000549884301 1037521350 /nfs/dbraw/zinc/52/13/50/1037521350.db2.gz HVXIHXCLMLUVMU-UHFFFAOYSA-N 0 3 342.389 3.718 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccc(F)cc3s2)CC1 ZINC000592077161 1037829237 /nfs/dbraw/zinc/82/92/37/1037829237.db2.gz FONHJSLQBQSTHS-UHFFFAOYSA-N 0 3 332.444 3.811 20 30 EHEDHN N#Cc1cc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)ccc1F ZINC000592177807 1037907807 /nfs/dbraw/zinc/90/78/07/1037907807.db2.gz SDYXVCITLRFDTJ-FQEVSTJZSA-N 0 3 336.410 3.857 20 30 EHEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000454201324 1038019451 /nfs/dbraw/zinc/01/94/51/1038019451.db2.gz FYGSQJXTWDDXDA-QGZVFWFLSA-N 0 3 348.450 3.544 20 30 EHEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OCC ZINC000041519766 1038115535 /nfs/dbraw/zinc/11/55/35/1038115535.db2.gz MSNQVUYENIWKDJ-ZDUSSCGKSA-N 0 3 330.409 3.739 20 30 EHEDHN CN1Cc2ccccc2[C@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000378275827 1038349223 /nfs/dbraw/zinc/34/92/23/1038349223.db2.gz XJAGOTQVNDTUHT-OAQYLSRUSA-N 0 3 335.451 3.645 20 30 EHEDHN C[C@H](C(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000461889646 1038662175 /nfs/dbraw/zinc/66/21/75/1038662175.db2.gz MSHNEHIGHFKAJP-UWJYYQICSA-N 0 3 347.462 3.615 20 30 EHEDHN C[C@@H]1CSCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000488237925 1038994337 /nfs/dbraw/zinc/99/43/37/1038994337.db2.gz ZQUVCODOGVJWFR-ZDUSSCGKSA-N 0 3 329.387 3.622 20 30 EHEDHN CC(C)(CCC#N)CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000554451419 1039344987 /nfs/dbraw/zinc/34/49/87/1039344987.db2.gz XDKQLEFJSTZQFL-OAHLLOKOSA-N 0 3 348.516 3.514 20 30 EHEDHN C=CCN1CCC(NC(=O)C[C@@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000488850969 1039434006 /nfs/dbraw/zinc/43/40/06/1039434006.db2.gz IEDOBJFIMCXHSF-SJORKVTESA-N 0 3 326.484 3.743 20 30 EHEDHN Cc1cccc2c1ncc(C)c2N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000488972691 1039518873 /nfs/dbraw/zinc/51/88/73/1039518873.db2.gz DWKFGWKBBYPFBL-KRWDZBQOSA-N 0 3 344.418 3.776 20 30 EHEDHN CC1(C)c2ccccc2CCN1CCC(=O)Nc1sccc1C#N ZINC000553025489 1039712808 /nfs/dbraw/zinc/71/28/08/1039712808.db2.gz APOAEUGYNHBJOM-UHFFFAOYSA-N 0 3 339.464 3.742 20 30 EHEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000912464313 1039906324 /nfs/dbraw/zinc/90/63/24/1039906324.db2.gz RENXNSMPYNLXLG-DYVFJYSZSA-N 0 3 343.496 3.979 20 30 EHEDHN C=CCOc1c(Cl)cc(CN2CC[C@@H](CO)[C@@H]2CC)cc1OC ZINC000628298188 1039909233 /nfs/dbraw/zinc/90/92/33/1039909233.db2.gz XIFVEGZSRADOIL-HOCLYGCPSA-N 0 3 339.863 3.506 20 30 EHEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cc(C)c(F)c(F)c1)CC2 ZINC001143604841 1039955821 /nfs/dbraw/zinc/95/58/21/1039955821.db2.gz FGSZVUKUFOFXDA-FQEVSTJZSA-N 0 3 348.437 3.806 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(OC(C)C)c2)CC1 ZINC000489514853 1040053388 /nfs/dbraw/zinc/05/33/88/1040053388.db2.gz MZCWKRBDPGHAJX-UHFFFAOYSA-N 0 3 331.460 3.554 20 30 EHEDHN CCN(Cc1ccccc1C(=O)N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000417719864 1040187928 /nfs/dbraw/zinc/18/79/28/1040187928.db2.gz QWEXNVBKIZEXCF-INIZCTEOSA-N 0 3 335.451 3.843 20 30 EHEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)N1CCc2sccc2C1 ZINC000512631595 1040333918 /nfs/dbraw/zinc/33/39/18/1040333918.db2.gz RSNNLAXGECSSOM-ZIAGYGMSSA-N 0 3 343.471 3.856 20 30 EHEDHN N#Cc1c(Cl)nsc1NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000192958287 1040335681 /nfs/dbraw/zinc/33/56/81/1040335681.db2.gz LLYGUUAYMJDIQI-CYBMUJFWSA-N 0 3 332.860 3.602 20 30 EHEDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168905 1040341492 /nfs/dbraw/zinc/34/14/92/1040341492.db2.gz GAWDGJNVLDAUBC-UXHICEINSA-N 0 3 341.499 3.709 20 30 EHEDHN CN(Cc1ccccc1)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433018175 1040459820 /nfs/dbraw/zinc/45/98/20/1040459820.db2.gz FQOYAOIMEXIMHU-FQEVSTJZSA-N 0 3 335.451 3.670 20 30 EHEDHN C[C@@H]1Cc2ccccc2N1C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433030328 1040501119 /nfs/dbraw/zinc/50/11/19/1040501119.db2.gz JOKXEXFELSWELF-YLJYHZDGSA-N 0 3 347.462 3.989 20 30 EHEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CC1 ZINC000490589279 1040618238 /nfs/dbraw/zinc/61/82/38/1040618238.db2.gz BSJQNHHJFODSRU-UHFFFAOYSA-N 0 3 349.434 3.503 20 30 EHEDHN C=CCC(C)(C)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000429859519 1040831748 /nfs/dbraw/zinc/83/17/48/1040831748.db2.gz QFHVHKGQIMGDFX-GOSISDBHSA-N 0 3 332.488 3.797 20 30 EHEDHN Cc1c(C#N)cccc1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000509853324 1041209162 /nfs/dbraw/zinc/20/91/62/1041209162.db2.gz LWHHVPLAXDLYQL-HXUWFJFHSA-N 0 3 347.462 3.651 20 30 EHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](CCF)C1 ZINC000661692505 1042233250 /nfs/dbraw/zinc/23/32/50/1042233250.db2.gz OEHWMURGFNEVTA-HZPDHXFCSA-N 0 3 338.492 3.723 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000662085361 1042503110 /nfs/dbraw/zinc/50/31/10/1042503110.db2.gz FRNKEDORQLUDBQ-WCXIOVBPSA-N 0 3 330.497 3.983 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000662085360 1042503155 /nfs/dbraw/zinc/50/31/55/1042503155.db2.gz FRNKEDORQLUDBQ-NXOAAHMSSA-N 0 3 330.497 3.983 20 30 EHEDHN N#Cc1cc(CN2CCC(c3ncc4n3CCCC4)CC2)ccc1F ZINC000278968616 1043102178 /nfs/dbraw/zinc/10/21/78/1043102178.db2.gz XPLMQWDSNXHPQE-UHFFFAOYSA-N 0 3 338.430 3.610 20 30 EHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CC=CCC1 ZINC000344032826 1043141987 /nfs/dbraw/zinc/14/19/87/1043141987.db2.gz DTJSTXDXQPIQGB-QZTJIDSGSA-N 0 3 325.456 3.610 20 30 EHEDHN CC1(C)CN(CCC(=O)Nc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000344114439 1043276337 /nfs/dbraw/zinc/27/63/37/1043276337.db2.gz MLIZRUOKSTZMJC-UHFFFAOYSA-N 0 3 349.434 3.560 20 30 EHEDHN C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(C2CCCC2)CC1 ZINC000549644782 1043796509 /nfs/dbraw/zinc/79/65/09/1043796509.db2.gz VZUMYVLVLQAXIT-UHFFFAOYSA-N 0 3 343.519 3.576 20 30 EHEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000344459367 1044032253 /nfs/dbraw/zinc/03/22/53/1044032253.db2.gz WNYYIWJJHLEVEZ-JXFKEZNVSA-N 0 3 348.450 3.651 20 30 EHEDHN N#CCCn1cc(CN2CCC[C@@H]3CCC[C@@H]32)c(-c2ccncc2)n1 ZINC000279494269 1044133207 /nfs/dbraw/zinc/13/32/07/1044133207.db2.gz YFJPGRBHDQPRLC-LPHOPBHVSA-N 0 3 335.455 3.623 20 30 EHEDHN N#Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(F)c1 ZINC000512247321 1044388470 /nfs/dbraw/zinc/38/84/70/1044388470.db2.gz XOEPWKTXMDIDPN-RTBURBONSA-N 0 3 335.426 3.623 20 30 EHEDHN C=C(C)COCCNCc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000344958124 1044736038 /nfs/dbraw/zinc/73/60/38/1044736038.db2.gz QPBPBCIMFVTCFM-UHFFFAOYSA-N 0 3 333.863 3.825 20 30 EHEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(C)cc1 ZINC000192675026 1126926644 /nfs/dbraw/zinc/92/66/44/1126926644.db2.gz MDNNZKCRCOMJTD-SJLPKXTDSA-N 0 3 327.472 3.767 20 30 EHEDHN C=CC(C)(C)CC[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000623592377 1126992660 /nfs/dbraw/zinc/99/26/60/1126992660.db2.gz KERCLGJVKSYFNN-UHFFFAOYSA-N 0 3 328.250 3.855 20 30 EHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)nc21 ZINC000763987690 1127201214 /nfs/dbraw/zinc/20/12/14/1127201214.db2.gz NYJJGYGROMCBHE-WFASDCNBSA-N 0 3 348.362 3.760 20 30 EHEDHN C=CCOc1ccc(CN[C@H]2CCc3c2cccc3O)cc1OC ZINC000105487436 1127962329 /nfs/dbraw/zinc/96/23/29/1127962329.db2.gz ZZTDNEXJCKQTIK-KRWDZBQOSA-N 0 3 325.408 3.743 20 30 EHEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCC(F)(F)CC1 ZINC000347613270 1128140728 /nfs/dbraw/zinc/14/07/28/1128140728.db2.gz HHFWLXGZPSZXAV-UHFFFAOYSA-N 0 3 332.354 3.618 20 30 EHEDHN COc1cccc([C@H](CNc2cccc(F)c2C#N)N2CCCC2)c1 ZINC000301055904 1128571271 /nfs/dbraw/zinc/57/12/71/1128571271.db2.gz DKHXESAIGJAQAE-FQEVSTJZSA-N 0 3 339.414 3.955 20 30 EHEDHN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000301106093 1128573776 /nfs/dbraw/zinc/57/37/76/1128573776.db2.gz WCUDPVSESSYXMN-QGZVFWFLSA-N 0 3 336.395 3.543 20 30 EHEDHN N#Cc1cccc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000301298897 1128583287 /nfs/dbraw/zinc/58/32/87/1128583287.db2.gz ZJGWXBDVIGBPCC-INIZCTEOSA-N 0 3 346.356 3.658 20 30 EHEDHN N#Cc1ccc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000301495980 1128594034 /nfs/dbraw/zinc/59/40/34/1128594034.db2.gz BTIVKXAIHSLQKH-KRWDZBQOSA-N 0 3 346.356 3.658 20 30 EHEDHN CN1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)[C@@H]1c1ccccc1 ZINC000301829277 1128607574 /nfs/dbraw/zinc/60/75/74/1128607574.db2.gz GTXOJTDYDOTJDA-HOCLYGCPSA-N 0 3 346.356 3.829 20 30 EHEDHN CC(=O)c1ccc(C#N)cc1NCc1cccc(CN2CCCC2)c1 ZINC000302085499 1128619143 /nfs/dbraw/zinc/61/91/43/1128619143.db2.gz DSCJDILVKNNPAZ-UHFFFAOYSA-N 0 3 333.435 3.969 20 30 EHEDHN C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000075755731 1128879076 /nfs/dbraw/zinc/87/90/76/1128879076.db2.gz NOKVSLRVTFMQPS-GFCCVEGCSA-N 0 3 328.799 3.834 20 30 EHEDHN CN(C)c1ccc(C#N)cc1CNCCOc1ccc2ccccc2c1 ZINC001648873986 1120059286 /nfs/dbraw/zinc/05/92/86/1120059286.db2.gz GHHWJZCKQOWJLR-UHFFFAOYSA-N 0 3 345.446 3.946 20 30 EHEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000494404643 1120550301 /nfs/dbraw/zinc/55/03/01/1120550301.db2.gz KMVWZUYVVCDNFW-NZSAHSFTSA-N 0 3 327.472 3.572 20 30 EHEDHN C[C@@H](C[C@@H](O)c1ccco1)NCc1cc(C#N)ccc1Br ZINC000921951719 1128965106 /nfs/dbraw/zinc/96/51/06/1128965106.db2.gz XGLLTPOQFVGMSF-XHDPSFHLSA-N 0 3 349.228 3.516 20 30 EHEDHN Cc1ccc2ncc(C#N)c(NC[C@H](c3ccsc3)N(C)C)c2c1 ZINC000487915318 1121227323 /nfs/dbraw/zinc/22/73/23/1121227323.db2.gz KDRWLANVNVQVKK-GOSISDBHSA-N 0 3 336.464 3.613 20 30 EHEDHN N#CCCCCN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000171715273 1121506523 /nfs/dbraw/zinc/50/65/23/1121506523.db2.gz WTTLFPYARAYMLU-GOSISDBHSA-N 0 3 325.387 3.789 20 30 EHEDHN Cc1ccc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)cc1C#N ZINC001128251591 1128991940 /nfs/dbraw/zinc/99/19/40/1128991940.db2.gz QLIIWLMWUJGZLK-OAQYLSRUSA-N 0 3 349.478 3.753 20 30 EHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000171739036 1121675199 /nfs/dbraw/zinc/67/51/99/1121675199.db2.gz UYHBNVIEYPXSQA-SFHVURJKSA-N 0 3 347.890 3.837 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)COc1cc(C(C)C)ccc1C ZINC000916875128 1122376866 /nfs/dbraw/zinc/37/68/66/1122376866.db2.gz SRTHXDMREAKTDT-KRWDZBQOSA-N 0 3 344.455 3.513 20 30 EHEDHN Cc1cccc2c1N(CC(=O)C(C#N)c1nc3ccccc3s1)CC2 ZINC000917128390 1122532278 /nfs/dbraw/zinc/53/22/78/1122532278.db2.gz URHUPQVEHPTAFK-OAHLLOKOSA-N 0 3 347.443 3.844 20 30 EHEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1cc(C)ccc1C ZINC000497605816 1122607015 /nfs/dbraw/zinc/60/70/15/1122607015.db2.gz RRGWCDKIOJMGKJ-FQEVSTJZSA-N 0 3 325.452 3.731 20 30 EHEDHN C=CCN(Cc1cc(=O)n2c(C)csc2n1)CC1CCCCC1 ZINC000069859947 1122844951 /nfs/dbraw/zinc/84/49/51/1122844951.db2.gz LQRMQSNEUVSNTJ-UHFFFAOYSA-N 0 3 331.485 3.633 20 30 EHEDHN C[C@@H]1CCC[C@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000498380100 1122897954 /nfs/dbraw/zinc/89/79/54/1122897954.db2.gz AUTZJQKOXCZSPX-XLIONFOSSA-N 0 3 341.499 3.665 20 30 EHEDHN Cc1cccc(NC(=O)C[C@H](C)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000556601427 1123057203 /nfs/dbraw/zinc/05/72/03/1123057203.db2.gz LPJZDLLURMRGAT-INIZCTEOSA-N 0 3 333.435 3.863 20 30 EHEDHN C[C@H](CC(=O)OC(C)(C)C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000498810941 1123076335 /nfs/dbraw/zinc/07/63/35/1123076335.db2.gz XYPQUVZMBMCIOQ-CYBMUJFWSA-N 0 3 341.373 3.767 20 30 EHEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCCC(C)C)cc2)CC1 ZINC000074132543 1123254444 /nfs/dbraw/zinc/25/44/44/1123254444.db2.gz LDZOSMBKRVKDNK-UHFFFAOYSA-N 0 3 345.487 3.883 20 30 EHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(OC)c(OC)c2)c([O-])c1 ZINC000920942773 1123441305 /nfs/dbraw/zinc/44/13/05/1123441305.db2.gz DCIHXVUWIMKPRG-STZFKDTASA-N 0 3 342.439 3.875 20 30 EHEDHN N#Cc1ccccc1-c1ccccc1C(=O)OCCN1CCCCC1 ZINC000921189763 1123481066 /nfs/dbraw/zinc/48/10/66/1123481066.db2.gz WSCSXXXOWNDUNR-UHFFFAOYSA-N 0 3 334.419 3.868 20 30 EHEDHN COc1ccc(C2(CNC[C@H](C#N)CCC#N)CCCCC2)cc1 ZINC000067997057 1123801931 /nfs/dbraw/zinc/80/19/31/1123801931.db2.gz GUSUOZNDKHPBTJ-KRWDZBQOSA-N 0 3 325.456 3.930 20 30 EHEDHN COc1ccc(C#N)cc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181194638 1124634847 /nfs/dbraw/zinc/63/48/47/1124634847.db2.gz WUTWERGSKZMVHX-YLJYHZDGSA-N 0 3 336.435 3.824 20 30 EHEDHN CC[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000618571993 1125120031 /nfs/dbraw/zinc/12/00/31/1125120031.db2.gz CSUSZCAMYRNQNF-OALUTQOASA-N 0 3 325.456 3.533 20 30 EHEDHN N#Cc1ccc([C@H](O)CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000763532760 1125326429 /nfs/dbraw/zinc/32/64/29/1125326429.db2.gz JBYZIGXMKJUZCD-QGZVFWFLSA-N 0 3 346.352 3.889 20 30 EHEDHN C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000530633070 1129387417 /nfs/dbraw/zinc/38/74/17/1129387417.db2.gz XAGXPTVDOHMYHL-CQSZACIVSA-N 0 3 348.406 3.810 20 30 EHEDHN C[C@H](c1ccco1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000069067391 1129420792 /nfs/dbraw/zinc/42/07/92/1129420792.db2.gz PTHGUKOACXWYSK-GFCCVEGCSA-N 0 3 343.452 3.723 20 30 EHEDHN N#Cc1cccc(CCNCc2c(F)cccc2Br)c1 ZINC000466409635 1129428812 /nfs/dbraw/zinc/42/88/12/1129428812.db2.gz MCPMNWKATHYVPE-UHFFFAOYSA-N 0 3 333.204 3.792 20 30 EHEDHN C[C@H]1Cc2cc(CNC3(c4ccc(C#N)cc4)CCOCC3)ccc2O1 ZINC000922292823 1129443451 /nfs/dbraw/zinc/44/34/51/1129443451.db2.gz FDCBPZZLRSEXRX-INIZCTEOSA-N 0 3 348.446 3.677 20 30 EHEDHN C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@@H]1c1ccccc1 ZINC000093668258 1129598219 /nfs/dbraw/zinc/59/82/19/1129598219.db2.gz IPLCZEWRMYERGP-JXFKEZNVSA-N 0 3 330.435 3.832 20 30 EHEDHN C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000556629011 1129914399 /nfs/dbraw/zinc/91/43/99/1129914399.db2.gz NLQZDJINRMSGKQ-LPHOPBHVSA-N 0 3 330.435 3.974 20 30 EHEDHN C=CCn1cc(CN[C@@H]2CCCC[C@@H]2c2ccccc2Cl)nn1 ZINC000658037712 1130076446 /nfs/dbraw/zinc/07/64/46/1130076446.db2.gz IVBVIORTYAOHDU-SJLPKXTDSA-N 0 3 330.863 3.934 20 30 EHEDHN C=CCN1CCC(NC(=O)c2cc(C(C)C)nc3ccccc32)CC1 ZINC000171723123 1130082865 /nfs/dbraw/zinc/08/28/65/1130082865.db2.gz AXQNWLIUWXWAKG-UHFFFAOYSA-N 0 3 337.467 3.738 20 30 EHEDHN CO[C@@](C)(C(=O)C(C#N)c1ccc2ccccc2n1)c1ccccc1 ZINC000730394632 1130704888 /nfs/dbraw/zinc/70/48/88/1130704888.db2.gz JUAPZAUCJIXOOG-DYESRHJHSA-N 0 3 330.387 3.973 20 30 EHEDHN C=C(Cl)CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000737030667 1131443758 /nfs/dbraw/zinc/44/37/58/1131443758.db2.gz SVOQLOQZYFJJIS-AWEZNQCLSA-N 0 3 341.908 3.573 20 30 EHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC000739143251 1131493205 /nfs/dbraw/zinc/49/32/05/1131493205.db2.gz HXDLUQDIOJFGFN-FUHWJXTLSA-N 0 3 328.456 3.894 20 30 EHEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccnc3ccccc23)nc(C)n1 ZINC000741110547 1131576392 /nfs/dbraw/zinc/57/63/92/1131576392.db2.gz HHNDGJGAJIXAKM-QWPQOLDESA-N 0 3 328.375 3.531 20 30 EHEDHN C=CCN1CCC[C@H](N[C@H](C)CSc2ccc(Cl)cc2)C1=O ZINC001172877499 1131895466 /nfs/dbraw/zinc/89/54/66/1131895466.db2.gz FKKSWNHKXWPXFD-CJNGLKHVSA-N 0 3 338.904 3.587 20 30 EHEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(F)CCCCC2)C[C@H]1C#N ZINC001172967463 1131920572 /nfs/dbraw/zinc/92/05/72/1131920572.db2.gz XLNUEJJBRCOTSR-CABCVRRESA-N 0 3 339.455 3.540 20 30 EHEDHN CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2C1CCC(CC#N)CC1 ZINC001173335186 1132051181 /nfs/dbraw/zinc/05/11/81/1132051181.db2.gz CITCGSFZISURJR-BHUNQDJPSA-N 0 3 333.476 3.543 20 30 EHEDHN COc1ccc(Cl)cc1N1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173339773 1132054684 /nfs/dbraw/zinc/05/46/84/1132054684.db2.gz TYSWSCYSMKVWMQ-UHFFFAOYSA-N 0 3 347.890 3.943 20 30 EHEDHN C=CCOC(=O)c1ccc(Nc2ccccc2CN(C)C)c(F)c1 ZINC001173931069 1132187654 /nfs/dbraw/zinc/18/76/54/1132187654.db2.gz FQKLAYIEPYIBSB-UHFFFAOYSA-N 0 3 328.387 3.974 20 30 EHEDHN CN(C)Cc1ccccc1Nc1ncc(C#N)cc1Br ZINC001173929216 1132188336 /nfs/dbraw/zinc/18/83/36/1132188336.db2.gz LLIPBEQSDGUEMK-UHFFFAOYSA-N 0 3 331.217 3.521 20 30 EHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](CC(C)C)C2)cc1 ZINC000745946389 1132334417 /nfs/dbraw/zinc/33/44/17/1132334417.db2.gz BVQMVOOCIZKXFI-OALUTQOASA-N 0 3 341.499 3.998 20 30 EHEDHN CN1CCN(Cc2cccc(Nc3ccc(Cl)c(C#N)c3)c2)CC1 ZINC001174403582 1132345820 /nfs/dbraw/zinc/34/58/20/1132345820.db2.gz VEQQDJAPVAXGQW-UHFFFAOYSA-N 0 3 340.858 3.703 20 30 EHEDHN C[C@@H](c1ccco1)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000746124796 1132379223 /nfs/dbraw/zinc/37/92/23/1132379223.db2.gz YLPHOHCTRPKMRB-QWHCGFSZSA-N 0 3 339.420 3.759 20 30 EHEDHN C[C@@](C#N)(Nc1ccc2c(c1)COC21CNC1)c1ccccc1Cl ZINC001169391396 1132744877 /nfs/dbraw/zinc/74/48/77/1132744877.db2.gz WPEGATNKZFKTSP-SFHVURJKSA-N 0 3 339.826 3.520 20 30 EHEDHN N#CCc1cc2ccccc2c(N2CCCc3ccc(CN)nc32)c1 ZINC001169591762 1132791071 /nfs/dbraw/zinc/79/10/71/1132791071.db2.gz MTSRAHNYCDTKOZ-UHFFFAOYSA-N 0 3 328.419 3.844 20 30 EHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CC[C@@H](C)SC ZINC000773768282 1133194948 /nfs/dbraw/zinc/19/49/48/1133194948.db2.gz FFMYQPNKOBGBIH-CJNGLKHVSA-N 0 3 346.496 3.990 20 30 EHEDHN C#CCOc1ccccc1CN1CCC(OCCc2ccccc2)CC1 ZINC000768931026 1133205952 /nfs/dbraw/zinc/20/59/52/1133205952.db2.gz AGACNNVNHAKWEL-UHFFFAOYSA-N 0 3 349.474 3.922 20 30 EHEDHN C[C@@H](CCC#N)CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001180497252 1133385497 /nfs/dbraw/zinc/38/54/97/1133385497.db2.gz GVCNMYSJYIOJDB-HNNXBMFYSA-N 0 3 339.405 3.763 20 30 EHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cc2ccncc2s1 ZINC001182139663 1133577820 /nfs/dbraw/zinc/57/78/20/1133577820.db2.gz MXSZXLNXKOMSFN-UHFFFAOYSA-N 0 3 337.448 3.817 20 30 EHEDHN CCCCN(CC)[C@@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC001182236364 1133596623 /nfs/dbraw/zinc/59/66/23/1133596623.db2.gz QUTOERNDFNRMAE-GOSISDBHSA-N 0 3 327.472 3.660 20 30 EHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)cc1 ZINC000786313959 1133835601 /nfs/dbraw/zinc/83/56/01/1133835601.db2.gz JLWWVVUTCVLXCV-CZUORRHYSA-N 0 3 325.412 3.787 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)CCC(C)(C)C)c1 ZINC000786538781 1133863855 /nfs/dbraw/zinc/86/38/55/1133863855.db2.gz HFIXMKIVCCBSMK-RDJZCZTQSA-N 0 3 328.456 3.783 20 30 EHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCSC(C)(C)C)c1 ZINC000786552546 1133873543 /nfs/dbraw/zinc/87/35/43/1133873543.db2.gz NOVMLWBQVJUKHV-INIZCTEOSA-N 0 3 346.496 3.632 20 30 EHEDHN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)NCc2cccc(C)c2)C1(C)C ZINC000786550335 1133873955 /nfs/dbraw/zinc/87/39/55/1133873955.db2.gz OIVWEZOCXXLICK-KSZLIROESA-N 0 3 338.451 3.559 20 30 EHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(N2CCOC2=O)cc1 ZINC000787034203 1133940859 /nfs/dbraw/zinc/94/08/59/1133940859.db2.gz SIPDBKUYAJPRMN-VLIAUNLRSA-N 0 3 347.418 3.853 20 30 EHEDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1[O-] ZINC000787331539 1133989444 /nfs/dbraw/zinc/98/94/44/1133989444.db2.gz KSBVESWZVMZZJE-MRXNPFEDSA-N 0 3 328.799 3.703 20 30 EHEDHN C#CCC1(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CCCCC1 ZINC000788233627 1134103921 /nfs/dbraw/zinc/10/39/21/1134103921.db2.gz WHYRSPPAWZLJOK-UYAOXDASSA-N 0 3 338.495 3.739 20 30 EHEDHN COc1cccc(O)c1/C=N/C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000746816243 1134281065 /nfs/dbraw/zinc/28/10/65/1134281065.db2.gz PDFSYZQXIOEDDR-YODDIOPGSA-N 0 3 332.831 3.776 20 30 EHEDHN CC[C@@H](C)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1 ZINC000790182328 1134376369 /nfs/dbraw/zinc/37/63/69/1134376369.db2.gz IXJASOCFGSMAGU-OAHLLOKOSA-N 0 3 325.460 3.503 20 30 EHEDHN Cc1cccnc1N=NC(C)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000790190716 1134380013 /nfs/dbraw/zinc/38/00/13/1134380013.db2.gz KZRUBISUOCOZEN-UHFFFAOYSA-N 0 3 338.455 3.918 20 30 EHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(N(C)CC)nc2)c1 ZINC000790965670 1134486004 /nfs/dbraw/zinc/48/60/04/1134486004.db2.gz VRCHMXJTOQAIRS-GOSISDBHSA-N 0 3 338.455 3.508 20 30 EHEDHN CC1(C)CC(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)C1 ZINC001190761618 1134742085 /nfs/dbraw/zinc/74/20/85/1134742085.db2.gz ROHXFBINOGOHNJ-UHFFFAOYSA-N 0 3 334.467 3.665 20 30 EHEDHN N#CC1(c2ccccc2)CCC(N2CCN(Cc3ccco3)CC2)CC1 ZINC001170386202 1134762047 /nfs/dbraw/zinc/76/20/47/1134762047.db2.gz BEZOUFJRTSDWLO-UHFFFAOYSA-N 0 3 349.478 3.801 20 30 EHEDHN CCO[C@H]1C[C@H](NCc2cc(C#N)ccc2Br)C12CCC2 ZINC001170386318 1134762089 /nfs/dbraw/zinc/76/20/89/1134762089.db2.gz NDQPDFRGCWBAGF-HOTGVXAUSA-N 0 3 349.272 3.758 20 30 EHEDHN COc1ccc([N-][NH+]=Cc2cnccc2N(C)C)c(C(F)(F)F)c1 ZINC000793099556 1134853554 /nfs/dbraw/zinc/85/35/54/1134853554.db2.gz TXFPSTHHENYWTL-UHFFFAOYSA-N 0 3 338.333 3.621 20 30 EHEDHN C[C@@H](NCC(=O)NCCC#N)c1ccccc1-c1ccc(Cl)cc1 ZINC000775455869 1134872308 /nfs/dbraw/zinc/87/23/08/1134872308.db2.gz UDYJDNNESVELAY-CQSZACIVSA-N 0 3 341.842 3.687 20 30 EHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(Cl)c1Br ZINC001170442924 1135019088 /nfs/dbraw/zinc/01/90/88/1135019088.db2.gz LFPUXXOGIFNNCK-OLZOCXBDSA-N 0 3 330.653 3.926 20 30 EHEDHN CCCCCCCOC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001194019470 1135214958 /nfs/dbraw/zinc/21/49/58/1135214958.db2.gz LRNFBXNQHZQPIM-UHFFFAOYSA-N 0 3 347.503 3.990 20 30 EHEDHN C=CCCCCCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000805218116 1135249859 /nfs/dbraw/zinc/24/98/59/1135249859.db2.gz SKVVLPQYFUMSRA-LJQANCHMSA-N 0 3 329.488 3.546 20 30 EHEDHN N#Cc1ccc(N2CC[C@@H](N3CC[C@@H](C4CCCCC4)C3)C2=O)cc1 ZINC001195894644 1135481888 /nfs/dbraw/zinc/48/18/88/1135481888.db2.gz WHIGXOXHMMOQKG-UYAOXDASSA-N 0 3 337.467 3.566 20 30 EHEDHN C=CC[C@H]1CCCN(CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)C1 ZINC001195946838 1135498753 /nfs/dbraw/zinc/49/87/53/1135498753.db2.gz OLNXDEHZEYQTCE-KKSFZXQISA-N 0 3 342.483 3.551 20 30 EHEDHN C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000807402059 1135542083 /nfs/dbraw/zinc/54/20/83/1135542083.db2.gz XYSGBOLSNNDNDV-GHTZIAJQSA-N 0 3 349.478 3.523 20 30 EHEDHN C#CCCN(CCOC)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001196391638 1135553943 /nfs/dbraw/zinc/55/39/43/1135553943.db2.gz BJRULFOJCRGCBI-UHFFFAOYSA-N 0 3 346.474 3.858 20 30 EHEDHN C#CCCN(CCOC)Cc1ccc(Cl)c(Br)c1 ZINC001196403652 1135556490 /nfs/dbraw/zinc/55/64/90/1135556490.db2.gz YRISJXLNGIVBOD-UHFFFAOYSA-N 0 3 330.653 3.574 20 30 EHEDHN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(Cc2cccc(C#N)c2)C1 ZINC001196850311 1135617361 /nfs/dbraw/zinc/61/73/61/1135617361.db2.gz KDXKFYXBGBDADM-GOSISDBHSA-N 0 3 343.471 3.828 20 30 EHEDHN C#CC[C@@H](NC(=O)N[C@H](C)CN(C)Cc1ccccc1)c1ccccc1 ZINC000775774579 1135690458 /nfs/dbraw/zinc/69/04/58/1135690458.db2.gz OCYNPIQGDCZXRE-WIYYLYMNSA-N 0 3 349.478 3.571 20 30 EHEDHN CCC(CC)N(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000808782551 1135736734 /nfs/dbraw/zinc/73/67/34/1135736734.db2.gz XRKNMQSAKRTBJD-CQSZACIVSA-N 0 3 329.469 3.983 20 30 EHEDHN CCCN(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)CC1CC1 ZINC000747530461 1135749831 /nfs/dbraw/zinc/74/98/31/1135749831.db2.gz LTZPQOHNDMXXMA-UHFFFAOYSA-N 0 3 327.472 3.672 20 30 EHEDHN C=CCCCN(CC)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC001198457849 1135817068 /nfs/dbraw/zinc/81/70/68/1135817068.db2.gz MGSHTJLXHNBYCV-GOSISDBHSA-N 0 3 327.472 3.918 20 30 EHEDHN C#Cc1ccc(CNCc2cccc(OCc3ccccn3)c2)cc1 ZINC000809606591 1135856447 /nfs/dbraw/zinc/85/64/47/1135856447.db2.gz XNYIOLUOCIEUON-UHFFFAOYSA-N 0 3 328.415 3.932 20 30 EHEDHN C#C[C@@H](NCc1cccc(NC(=O)c2ccc(OC)cc2)c1)C(C)C ZINC000809685891 1135872231 /nfs/dbraw/zinc/87/22/31/1135872231.db2.gz XYFQDTNFMLHAIZ-HXUWFJFHSA-N 0 3 336.435 3.695 20 30 EHEDHN CN(C)[C@@H](CNc1ccnc(CC#N)c1)c1ccc(Cl)cc1Cl ZINC001170590465 1135905988 /nfs/dbraw/zinc/90/59/88/1135905988.db2.gz UQIRMHLORRKUAV-KRWDZBQOSA-N 0 3 349.265 3.591 20 30 EHEDHN C[C@@H](O)c1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000810134358 1135926278 /nfs/dbraw/zinc/92/62/78/1135926278.db2.gz SKXSWXCJQWAFEY-GFCCVEGCSA-N 0 3 334.341 3.920 20 30 EHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCSC2)cc1 ZINC000810532540 1135970715 /nfs/dbraw/zinc/97/07/15/1135970715.db2.gz UFKPTEQMJADMRO-RDJZCZTQSA-N 0 3 344.480 3.820 20 30 EHEDHN CN(C)c1ccncc1C=NN=C1c2ccccc2-c2ccccc21 ZINC000776185750 1136017138 /nfs/dbraw/zinc/01/71/38/1136017138.db2.gz OMKYRHWBQYFVPG-UHFFFAOYSA-N 0 3 326.403 4.000 20 30 EHEDHN CC(C)[C@@H](O)[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 ZINC000850394895 1136248361 /nfs/dbraw/zinc/24/83/61/1136248361.db2.gz HOKUOSKYSQHZNE-TYCQWZJGSA-N 0 3 338.451 3.825 20 30 EHEDHN C#C[C@H](N[C@@H](C)c1ccc2cc(OC)c(OC)cc2c1)[C@@H]1CCCO1 ZINC000850461302 1136263722 /nfs/dbraw/zinc/26/37/22/1136263722.db2.gz HYHFBJMOYKPBGY-JVPBZIDWSA-N 0 3 339.435 3.688 20 30 EHEDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(C#N)cc3F)C2)cc1 ZINC000850487512 1136268944 /nfs/dbraw/zinc/26/89/44/1136268944.db2.gz HMABNNIUDFBMCN-HOCLYGCPSA-N 0 3 339.414 3.635 20 30 EHEDHN C=CCCSCCN[C@H](C)c1cc(Br)ncc1F ZINC000850502928 1136273537 /nfs/dbraw/zinc/27/35/37/1136273537.db2.gz WWDLEYSYVOTZNA-SNVBAGLBSA-N 0 3 333.270 3.943 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000850752574 1136300109 /nfs/dbraw/zinc/30/01/09/1136300109.db2.gz QGCUQGOWXYASGL-KSZLIROESA-N 0 3 326.440 3.504 20 30 EHEDHN C[C@@H](OCc1ccccc1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813211790 1136302853 /nfs/dbraw/zinc/30/28/53/1136302853.db2.gz QINWPMPIYWCXPN-IUODEOHRSA-N 0 3 348.324 3.882 20 30 EHEDHN CC([C@H](OC(=O)CC1(C#N)CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000851108102 1136338563 /nfs/dbraw/zinc/33/85/63/1136338563.db2.gz JMVLOYCURGYYNU-DYVFJYSZSA-N 0 3 348.374 3.939 20 30 EHEDHN C=CCN1CCC(NC(=O)N(C)[C@H](CC)Cc2ccc(C)cc2)CC1 ZINC000173197039 1136361005 /nfs/dbraw/zinc/36/10/05/1136361005.db2.gz BYDXFRCCQOZZKL-HXUWFJFHSA-N 0 3 343.515 3.608 20 30 EHEDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)cc1F ZINC000852521357 1136462172 /nfs/dbraw/zinc/46/21/72/1136462172.db2.gz OAPRZCOZCZMRLN-RBUKOAKNSA-N 0 3 340.398 3.576 20 30 EHEDHN C[C@@H]1CCCN(CC2(C#N)CC2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000852598688 1136470049 /nfs/dbraw/zinc/47/00/49/1136470049.db2.gz VUNZHUQMADNVBO-HZPDHXFCSA-N 0 3 335.492 3.696 20 30 EHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000852685671 1136477699 /nfs/dbraw/zinc/47/76/99/1136477699.db2.gz IASSFCNHVGPVCY-AHRSYUTCSA-N 0 3 339.483 3.797 20 30 EHEDHN O=[N+]([O-])c1cc(Cl)ccc1NNC1=C[C@@H](C(F)(F)F)OCC1 ZINC000814810084 1136512033 /nfs/dbraw/zinc/51/20/33/1136512033.db2.gz XSHWFUPRWGZOAP-NSHDSACASA-N 0 3 337.685 3.757 20 30 EHEDHN N#CCC[C@@H](C#N)CNC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000815219383 1136567451 /nfs/dbraw/zinc/56/74/51/1136567451.db2.gz ZXPBVYYRSWBSNB-AWEZNQCLSA-N 0 3 349.837 3.604 20 30 EHEDHN C=CC[C@H](CO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815601378 1136617019 /nfs/dbraw/zinc/61/70/19/1136617019.db2.gz USEUVJNIAFMXMC-ICSRJNTNSA-N 0 3 325.452 3.840 20 30 EHEDHN CCCN(CCN[C@@H](C)c1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000776745253 1136620550 /nfs/dbraw/zinc/62/05/50/1136620550.db2.gz UIFSGQUHOPWQJL-AWEZNQCLSA-N 0 3 349.450 3.995 20 30 EHEDHN C=C[C@H](CC)CC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC001135450034 1136686787 /nfs/dbraw/zinc/68/67/87/1136686787.db2.gz BKVKSEYESARRTM-VQIMIIECSA-N 0 3 330.472 3.551 20 30 EHEDHN C=C[C@H](C(=O)NC[C@H](CC)N1CCc2ccccc2C1)c1ccccc1 ZINC001136201107 1136926376 /nfs/dbraw/zinc/92/63/76/1136926376.db2.gz VQEOPTZHTBFXQY-VXKWHMMOSA-N 0 3 348.490 3.909 20 30 EHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000116591973 1137005605 /nfs/dbraw/zinc/00/56/05/1137005605.db2.gz XIXLONPNRFDYAM-YOEHRIQHSA-N 0 3 332.419 3.725 20 30 EHEDHN Cc1ccccc1[C@@H](C)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000116592338 1137005750 /nfs/dbraw/zinc/00/57/50/1137005750.db2.gz ZDAUDSPIZSHKRI-MAUKXSAKSA-N 0 3 326.440 3.646 20 30 EHEDHN Cc1ccc(CN2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859296460 1137010945 /nfs/dbraw/zinc/01/09/45/1137010945.db2.gz JWFLXZJKJQDMEB-FQEVSTJZSA-N 0 3 343.471 3.603 20 30 EHEDHN C#CC[C@@H]1CCN(Cc2ccnc3c(Br)cccc23)C1 ZINC000862446816 1137145257 /nfs/dbraw/zinc/14/52/57/1137145257.db2.gz FSOZYEFEVJAASI-CYBMUJFWSA-N 0 3 329.241 3.843 20 30 EHEDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824797781 1137152771 /nfs/dbraw/zinc/15/27/71/1137152771.db2.gz ZASYAPIMJQOVRJ-HNNXBMFYSA-N 0 3 343.471 3.587 20 30 EHEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1c[nH]c3cccc(F)c13)C2 ZINC001136983436 1137163685 /nfs/dbraw/zinc/16/36/85/1137163685.db2.gz SDPINKCXDKFRPO-JXFKEZNVSA-N 0 3 344.430 3.633 20 30 EHEDHN C#Cc1cccc(CNCc2ccc(OCC(F)(F)F)c(OC)c2)c1 ZINC000825227625 1137171284 /nfs/dbraw/zinc/17/12/84/1137171284.db2.gz VUCIUHDPZUHPBL-UHFFFAOYSA-N 0 3 349.352 3.907 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2csc(C3CCCCC3)n2)CC1 ZINC001144413693 1137287264 /nfs/dbraw/zinc/28/72/64/1137287264.db2.gz WFVBTEKIHCTHOR-UHFFFAOYSA-N 0 3 347.528 3.961 20 30 EHEDHN COC(=O)CCc1ccccc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171182146 1137291334 /nfs/dbraw/zinc/29/13/34/1137291334.db2.gz IUANEWBAOPTPQU-UHFFFAOYSA-N 0 3 348.402 3.688 20 30 EHEDHN N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)C1C[C@@]1(F)c1ccccc1 ZINC000845842375 1137315549 /nfs/dbraw/zinc/31/55/49/1137315549.db2.gz FSKYHMWQCRZOGR-KGVIQGDOSA-N 0 3 347.389 3.881 20 30 EHEDHN C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846010704 1137325417 /nfs/dbraw/zinc/32/54/17/1137325417.db2.gz NBQJVFMLXCSNFH-HZPDHXFCSA-N 0 3 335.492 3.838 20 30 EHEDHN C=CCOc1ccccc1[C@H](C)Nc1ccc2c(c1)COC21CNC1 ZINC001171376166 1137462502 /nfs/dbraw/zinc/46/25/02/1137462502.db2.gz PFIKPNVRVPHKSW-HNNXBMFYSA-N 0 3 336.435 3.753 20 30 EHEDHN COc1cc(F)cc(CNc2ccc(/N=C/N(C)C)c(C#N)c2)c1 ZINC001171415766 1137476095 /nfs/dbraw/zinc/47/60/95/1137476095.db2.gz PHDNWLBUDPQKJP-WSDLNYQXSA-N 0 3 326.375 3.539 20 30 EHEDHN COc1ccc(-c2nc(CN[C@H](C)Cc3ccc(C#N)cc3)co2)cc1 ZINC001172298852 1137549118 /nfs/dbraw/zinc/54/91/18/1137549118.db2.gz HWFMTRUITITBGN-OAHLLOKOSA-N 0 3 347.418 3.943 20 30 EHEDHN C#CC[C@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000825639997 1137586615 /nfs/dbraw/zinc/58/66/15/1137586615.db2.gz WPUNWKQYRUQOOK-WMZOPIPTSA-N 0 3 347.528 3.576 20 30 EHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000876569487 1137655789 /nfs/dbraw/zinc/65/57/89/1137655789.db2.gz UPWDVMLZBDPVSC-IRXDYDNUSA-N 0 3 336.863 3.609 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000876607581 1137656904 /nfs/dbraw/zinc/65/69/04/1137656904.db2.gz XHMMHZHUHVGNKL-XHDPSFHLSA-N 0 3 327.255 3.862 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1OCC ZINC000876612251 1137657077 /nfs/dbraw/zinc/65/70/77/1137657077.db2.gz GZNQCYUBIBKXDM-SNVBAGLBSA-N 0 3 336.741 3.513 20 30 EHEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000876677929 1137658904 /nfs/dbraw/zinc/65/89/04/1137658904.db2.gz GDHVGEHDAZCUTM-MOPGFXCFSA-N 0 3 340.854 3.783 20 30 EHEDHN CC(C)(C)OC(=O)N1CCC(C)(NCc2cccc(F)c2C#N)CC1 ZINC000877432561 1137676187 /nfs/dbraw/zinc/67/61/87/1137676187.db2.gz VYAHELRKXDNHFH-UHFFFAOYSA-N 0 3 347.434 3.577 20 30 EHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc(Cl)ccc1Br ZINC000877496794 1137678560 /nfs/dbraw/zinc/67/85/60/1137678560.db2.gz WWOUNMMHTJVWAS-YGRLFVJLSA-N 0 3 345.668 3.568 20 30 EHEDHN C=CC[C@@H]1CCN(Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000877651369 1137684465 /nfs/dbraw/zinc/68/44/65/1137684465.db2.gz XCYWRQGMXRTVBL-CQSZACIVSA-N 0 3 349.475 3.832 20 30 EHEDHN C#CCCOc1ccc(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877673862 1137685421 /nfs/dbraw/zinc/68/54/21/1137685421.db2.gz SWFPJHWTTNWZQM-IFMALSPDSA-N 0 3 335.447 3.787 20 30 EHEDHN C#C[C@H]1CC[C@H](NCc2nc3cc(Br)ccc3o2)CC1 ZINC000877834139 1137692741 /nfs/dbraw/zinc/69/27/41/1137692741.db2.gz PPOFKSFETHSQES-AULYBMBSSA-N 0 3 333.229 3.872 20 30 EHEDHN CCCO[C@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878088046 1137701764 /nfs/dbraw/zinc/70/17/64/1137701764.db2.gz FTEVADJAHPYFFW-SFTDATJTSA-N 0 3 342.483 3.708 20 30 EHEDHN CCCN(CC[C@](C#N)(C(C)=O)c1ccccc1)C[C@@H]1CCCCO1 ZINC000878238831 1137708226 /nfs/dbraw/zinc/70/82/26/1137708226.db2.gz FKILOFVZDKBESV-SFTDATJTSA-N 0 3 342.483 3.708 20 30 EHEDHN N#Cc1ccc(OC2CCN(C[C@H]3CCC4(CCC4)O3)CC2)c(F)c1 ZINC000878609910 1137721945 /nfs/dbraw/zinc/72/19/45/1137721945.db2.gz OTWSSWNRULSYOE-QGZVFWFLSA-N 0 3 344.430 3.642 20 30 EHEDHN C[C@@H](CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000878771951 1137727764 /nfs/dbraw/zinc/72/77/64/1137727764.db2.gz ATUUHLUPCUEMFI-SOUVJXGZSA-N 0 3 339.405 3.727 20 30 EHEDHN C[C@H](NCCOc1ccccc1C#N)c1ccc(C(F)(F)F)nc1 ZINC000880101468 1137768221 /nfs/dbraw/zinc/76/82/21/1137768221.db2.gz JEIBMROQCJTYHC-LBPRGKRZSA-N 0 3 335.329 3.702 20 30 EHEDHN C[C@@H]1c2sccc2CCN1CCC(=O)Nc1sccc1C#N ZINC000880377994 1137777118 /nfs/dbraw/zinc/77/71/18/1137777118.db2.gz LDHZDOYYBKRVHK-LLVKDONJSA-N 0 3 331.466 3.629 20 30 EHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(Cn3cccn3)c2)cc1 ZINC000129412077 1137819971 /nfs/dbraw/zinc/81/99/71/1137819971.db2.gz YNLQMBBYHALINS-GOSISDBHSA-N 0 3 345.446 3.794 20 30 EHEDHN C=CCC[C@H](NCc1cc(-c2ccccc2OC)no1)[C@H]1CCCO1 ZINC000883237336 1137849907 /nfs/dbraw/zinc/84/99/07/1137849907.db2.gz YTBQGVZHOLSYIM-FXAWDEMLSA-N 0 3 342.439 3.954 20 30 EHEDHN Cc1cc(-c2ccccc2)ccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884069738 1137903512 /nfs/dbraw/zinc/90/35/12/1137903512.db2.gz NXMBESWAPIHODZ-LVIWNVNYSA-N 0 3 345.446 3.740 20 30 EHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000113325492 1137912767 /nfs/dbraw/zinc/91/27/67/1137912767.db2.gz JCUOGTYXTPVDAA-OAHLLOKOSA-N 0 3 325.408 3.567 20 30 EHEDHN Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)c(CN(C)C)c1 ZINC000113911595 1137915417 /nfs/dbraw/zinc/91/54/17/1137915417.db2.gz PDAVWAJSSNGUFY-UHFFFAOYSA-N 0 3 339.464 3.659 20 30 EHEDHN CCCCN(C(=O)C1CC2(C1)CNC[C@H]2C#N)[C@@H](C)c1ccccc1 ZINC000884148890 1137917348 /nfs/dbraw/zinc/91/73/48/1137917348.db2.gz WAHDDJFTSXIOGO-WHMCQKABSA-N 0 3 339.483 3.516 20 30 EHEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331905179 1137925182 /nfs/dbraw/zinc/92/51/82/1137925182.db2.gz IEDWZFOOUHAVAV-AWEZNQCLSA-N 0 3 343.496 3.868 20 30 EHEDHN CSc1ccccc1CN(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000348326302 1137960452 /nfs/dbraw/zinc/96/04/52/1137960452.db2.gz HTKQKMXQHLVQNF-UHFFFAOYSA-N 0 3 339.464 3.741 20 30 EHEDHN C[C@@H]1SCCN(C[C@H](O)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886014038 1138032341 /nfs/dbraw/zinc/03/23/41/1138032341.db2.gz BGVOPWBROKETCE-JQHSSLGASA-N 0 3 330.497 3.610 20 30 EHEDHN N#CC1(C[C@@H](O)CN2CCC(c3cccc(F)c3F)CC2)CCC1 ZINC000886140340 1138051512 /nfs/dbraw/zinc/05/15/12/1138051512.db2.gz FMKRQCLYWXKZNC-OAHLLOKOSA-N 0 3 334.410 3.589 20 30 EHEDHN C#CCN(C(=O)C/C=C\c1ccc(C(C)C)cc1)C1CCN(C)CC1 ZINC000886578557 1138098854 /nfs/dbraw/zinc/09/88/54/1138098854.db2.gz BXDWLQARSWHGGJ-SREVYHEPSA-N 0 3 338.495 3.769 20 30 EHEDHN C=CCOC(=O)N1CCC2(CCCN(Cc3cccs3)C2)CC1 ZINC001204012917 1138101775 /nfs/dbraw/zinc/10/17/75/1138101775.db2.gz AGIIBCJCXCMYPO-UHFFFAOYSA-N 0 3 334.485 3.749 20 30 EHEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(C)c(C)c2)C2CC2)CC1 ZINC000077823453 1138144097 /nfs/dbraw/zinc/14/40/97/1138144097.db2.gz QXABLMLCUWRYGD-UHFFFAOYSA-N 0 3 341.499 3.628 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)NCc2cc3ccccc3s2)CC1 ZINC000264321382 1138475254 /nfs/dbraw/zinc/47/52/54/1138475254.db2.gz BBMQFNOPBOKDIL-UHFFFAOYSA-N 0 3 343.496 3.741 20 30 EHEDHN COCc1ccc([C@H]2CCCN2CCOc2cccc(C#N)c2)o1 ZINC000131000446 1138489235 /nfs/dbraw/zinc/48/92/35/1138489235.db2.gz JMOHGCDLKGBEOH-GOSISDBHSA-N 0 3 326.396 3.514 20 30 EHEDHN C=C(C)CN1CCC(NC(=O)c2cccc3c(C)c(C)[nH]c32)CC1 ZINC000264492232 1138535450 /nfs/dbraw/zinc/53/54/50/1138535450.db2.gz OCBLWJQVZQDKCL-UHFFFAOYSA-N 0 3 325.456 3.555 20 30 EHEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000174621779 1139431531 /nfs/dbraw/zinc/43/15/31/1139431531.db2.gz WJPDQIJZKOTAKH-CYBMUJFWSA-N 0 3 347.365 3.511 20 30 EHEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000181304276 1139899463 /nfs/dbraw/zinc/89/94/63/1139899463.db2.gz SWGYWRXCYNBBRV-CYBMUJFWSA-N 0 3 339.370 3.505 20 30 EHEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000185792914 1140170198 /nfs/dbraw/zinc/17/01/98/1140170198.db2.gz WAXAUFUAWCSEOT-CRAIPNDOSA-N 0 3 334.423 3.506 20 30 EHEDHN COc1cc(C#N)ccc1CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192044195 1140498835 /nfs/dbraw/zinc/49/88/35/1140498835.db2.gz KXKWBSXFKVDORK-HKUYNNGSSA-N 0 3 342.826 3.840 20 30 EHEDHN COc1ccc(CN2CCC[C@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000269722308 1141138106 /nfs/dbraw/zinc/13/81/06/1141138106.db2.gz UTNYCASIOHMZSP-IRXDYDNUSA-N 0 3 342.464 3.716 20 30 EHEDHN C=CCOc1cccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000270130902 1141182644 /nfs/dbraw/zinc/18/26/44/1141182644.db2.gz POCVOJYGINTUIC-NPMXOYFQSA-N 0 3 329.465 3.840 20 30 EHEDHN Cc1nnc([C@@H](C)NC2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000274184310 1141483459 /nfs/dbraw/zinc/48/34/59/1141483459.db2.gz JFMYNEDEBYFHCR-IMUUDWKMSA-N 0 3 326.469 3.901 20 30 EHEDHN