smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CN1CCN(c2ccc(COc3ccc(CC#N)cc3)cn2)CC1 ZINC001164657654 719337936 /nfs/dbraw/zinc/33/79/36/719337936.db2.gz WVCFGDCHZHFRBT-UHFFFAOYSA-N 0 3 364.493 3.505 20 30 FHEDHN CN(C)CCN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000176390230 937124494 /nfs/dbraw/zinc/12/44/94/937124494.db2.gz KYMAJADZSDXNGT-UHFFFAOYSA-N 0 3 357.841 3.638 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CC[C@H](C)c1ccccc1 ZINC000160178246 927105037 /nfs/dbraw/zinc/10/50/37/927105037.db2.gz OAKIRUHIDWMNOW-DOTOQJQBSA-N 0 3 350.418 3.926 20 30 FHEDHN CCN1CCN(c2ccccc2CN2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1 ZINC000430151842 927364626 /nfs/dbraw/zinc/36/46/26/927364626.db2.gz VGGXZZXDVFRHMN-PKTZIBPZSA-N 0 3 374.532 3.568 20 30 FHEDHN COc1ccc2cc(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc2c1 ZINC000430189983 927725480 /nfs/dbraw/zinc/72/54/80/927725480.db2.gz VUSPBIFZTBNDHY-OAQYLSRUSA-N 0 3 359.429 3.768 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cccc(F)c2o1 ZINC000610224210 928300328 /nfs/dbraw/zinc/30/03/28/928300328.db2.gz JATOYVNCWHHJIK-UHFFFAOYSA-N 0 3 365.408 3.648 20 30 FHEDHN CC(C)(C)OC(=O)N1CCCC2(CN(CCCc3cccc(C#N)c3)C2)C1 ZINC001208844209 928764058 /nfs/dbraw/zinc/76/40/58/928764058.db2.gz GEFAFBRONNWMFF-UHFFFAOYSA-N 0 3 369.509 3.824 20 30 FHEDHN C[C@@H](OC1CCCCCC1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000471198622 928907097 /nfs/dbraw/zinc/90/70/97/928907097.db2.gz GOFXSFQKUAEZFZ-GOSISDBHSA-N 0 3 371.525 3.576 20 30 FHEDHN COC(=O)C[C@H]1CSCCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000471213046 929120487 /nfs/dbraw/zinc/12/04/87/929120487.db2.gz YULJVHVNLHPDKS-IBGZPJMESA-N 0 3 366.486 3.706 20 30 FHEDHN C=CCCCN(CCC)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001209160203 929390563 /nfs/dbraw/zinc/39/05/63/929390563.db2.gz JATIPGVIOJNVNY-CQSZACIVSA-N 0 3 352.500 3.848 20 30 FHEDHN Cn1ccnc1CC1CCN(Cc2cccn2Cc2ccccc2C#N)CC1 ZINC000187232568 929621172 /nfs/dbraw/zinc/62/11/72/929621172.db2.gz BJVBQBCYYKYKFV-UHFFFAOYSA-N 0 3 373.504 3.596 20 30 FHEDHN CCc1ccc([C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000187302931 929684508 /nfs/dbraw/zinc/68/45/08/929684508.db2.gz QRQXQNQPCAQYIE-OAQYLSRUSA-N 0 3 361.489 3.571 20 30 FHEDHN Cn1c2ccccc2cc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1=O ZINC000580269022 930423761 /nfs/dbraw/zinc/42/37/61/930423761.db2.gz ZMKOJEPCTYSREG-NRFANRHFSA-N 0 3 357.457 3.967 20 30 FHEDHN CCOCCCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944088 930990037 /nfs/dbraw/zinc/99/00/37/930990037.db2.gz QGZVCLLJJLTGHW-RKDXNWHRSA-N 0 3 355.269 3.516 20 30 FHEDHN COc1ccc([C@H]2CCCN2CCOc2ccc(C#N)cc2OC)cc1 ZINC000157333341 932354974 /nfs/dbraw/zinc/35/49/74/932354974.db2.gz VRCQYFNXVQZEHX-LJQANCHMSA-N 0 3 352.434 3.791 20 30 FHEDHN N#Cc1ccc([C@H](O)CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000156311129 932355223 /nfs/dbraw/zinc/35/52/23/932355223.db2.gz UPTGJSZJTCFFRV-NHCUHLMSSA-N 0 3 370.880 3.691 20 30 FHEDHN N#Cc1ccc([C@@H](O)CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000156311265 932355318 /nfs/dbraw/zinc/35/53/18/932355318.db2.gz UPTGJSZJTCFFRV-LEWJYISDSA-N 0 3 370.880 3.691 20 30 FHEDHN N#Cc1cccc(OCCCN2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000477167982 932362553 /nfs/dbraw/zinc/36/25/53/932362553.db2.gz YSZJKBCVVWLBMQ-HXUWFJFHSA-N 0 3 364.445 3.935 20 30 FHEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)C1 ZINC000292928991 932629009 /nfs/dbraw/zinc/62/90/09/932629009.db2.gz YVBZGTPBKDCWSQ-VNHYZAJKSA-N 0 3 363.387 3.620 20 30 FHEDHN C[C@@H](NCc1ccc(Br)cc1C#N)[C@H]1COc2ccccc21 ZINC000581842242 932726079 /nfs/dbraw/zinc/72/60/79/932726079.db2.gz ABCXYLOYPYBLMF-SJKOYZFVSA-N 0 3 357.251 3.975 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3ccc(C)cc3C)C2)CC1 ZINC000471807754 932989737 /nfs/dbraw/zinc/98/97/37/932989737.db2.gz CURKCXULYZKUNR-IBGZPJMESA-N 0 3 355.526 3.843 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000548358303 933083453 /nfs/dbraw/zinc/08/34/53/933083453.db2.gz UPCWAUKCZAAWDD-LAUBAEHRSA-N 0 3 359.473 3.542 20 30 FHEDHN C=CCOc1ccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000092144478 933891735 /nfs/dbraw/zinc/89/17/35/933891735.db2.gz JHRWBQZRCRASFS-UHFFFAOYSA-N 0 3 356.510 3.722 20 30 FHEDHN C[C@@H](O)CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000535798250 934392451 /nfs/dbraw/zinc/39/24/51/934392451.db2.gz NTYOYTRZOPENCX-LJQANCHMSA-N 0 3 374.488 3.847 20 30 FHEDHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000458220833 934392543 /nfs/dbraw/zinc/39/25/43/934392543.db2.gz JMSNHDYZKQHGKY-UHFFFAOYSA-N 0 3 353.491 3.507 20 30 FHEDHN Cc1noc(C[C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2)n1 ZINC000277115993 934495050 /nfs/dbraw/zinc/49/50/50/934495050.db2.gz NDIQLJRQWWHWAN-YWZLYKJASA-N 0 3 362.433 3.915 20 30 FHEDHN C=CCOc1cccc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000511003878 934853538 /nfs/dbraw/zinc/85/35/38/934853538.db2.gz VQUCEIASQHSIDM-LJQANCHMSA-N 0 3 353.466 3.546 20 30 FHEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000119581323 934896722 /nfs/dbraw/zinc/89/67/22/934896722.db2.gz VWLHMDXPFLNLPX-BXUZGUMPSA-N 0 3 368.405 3.630 20 30 FHEDHN C[C@@H](c1cccc(Cl)c1)N(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000051425867 935247077 /nfs/dbraw/zinc/24/70/77/935247077.db2.gz RKGKYHQVSMBFRL-KXBFYZLASA-N 0 3 358.869 3.839 20 30 FHEDHN CCOc1ccc(O)c(C=Nc2ccc(N3CCN(CC)CC3)cc2C)c1 ZINC000255506962 935640674 /nfs/dbraw/zinc/64/06/74/935640674.db2.gz GWAQESURDCFNGQ-UHFFFAOYSA-N 0 3 367.493 3.992 20 30 FHEDHN N#CC(C(=O)CC(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1 ZINC000051651030 935643155 /nfs/dbraw/zinc/64/31/55/935643155.db2.gz BGWLHUHFGHNWOG-OAQYLSRUSA-N 0 3 360.457 3.976 20 30 FHEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000582423120 935682311 /nfs/dbraw/zinc/68/23/11/935682311.db2.gz IBGCTFSXKOSYDR-DAXOMENPSA-N 0 3 353.388 3.636 20 30 FHEDHN COCc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000113318304 935816180 /nfs/dbraw/zinc/81/61/80/935816180.db2.gz MWGQMNNNHQAOBF-UHFFFAOYSA-N 0 3 360.461 3.900 20 30 FHEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000518173094 945142210 /nfs/dbraw/zinc/14/22/10/945142210.db2.gz SFVKRPVOYNZJAJ-HXUWFJFHSA-N 0 3 351.450 3.662 20 30 FHEDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(F)c1 ZINC000161810389 936310979 /nfs/dbraw/zinc/31/09/79/936310979.db2.gz ZAFGSYIHHDNFBR-UHFFFAOYSA-N 0 3 354.429 3.602 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000329135491 938263516 /nfs/dbraw/zinc/26/35/16/938263516.db2.gz CGAVNJBYULNENJ-NEWSRXKRSA-N 0 3 367.497 3.686 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(OC)c1 ZINC000052485648 938336241 /nfs/dbraw/zinc/33/62/41/938336241.db2.gz NOFLPRIUVSWADA-UHFFFAOYSA-N 0 3 372.538 3.793 20 30 FHEDHN C=CCC[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000278395323 938383507 /nfs/dbraw/zinc/38/35/07/938383507.db2.gz AYUGFOSPGDYOQE-RXVVDRJESA-N 0 3 371.525 3.589 20 30 FHEDHN N[C@](C(=O)NC[C@@H]1CCCCN1C1CC1)(c1cccc(F)c1)C(F)(F)F ZINC000329512177 938459391 /nfs/dbraw/zinc/45/93/91/938459391.db2.gz NKXDLCNIKBAIFL-RDJZCZTQSA-N 0 3 373.394 3.515 20 30 FHEDHN N#CC(C(=O)CCCOc1ccc(F)cc1F)c1nc2ccccc2[nH]1 ZINC000065644556 938493641 /nfs/dbraw/zinc/49/36/41/938493641.db2.gz MRMMNNJPWXDOGZ-ZDUSSCGKSA-N 0 3 355.344 3.877 20 30 FHEDHN CC#CCCNCc1cc(Br)cc(Br)c1OC ZINC000158326877 938505903 /nfs/dbraw/zinc/50/59/03/938505903.db2.gz KXYDDQQHYMFEEU-UHFFFAOYSA-N 0 3 361.077 3.723 20 30 FHEDHN CC(=O)OCCCSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000278570132 938540992 /nfs/dbraw/zinc/54/09/92/938540992.db2.gz DKDKBXGAUZIURC-OAHLLOKOSA-N 0 3 374.487 3.673 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2nc(-c3ccccc3F)oc2C)CC1 ZINC000159232858 938640168 /nfs/dbraw/zinc/64/01/68/938640168.db2.gz PJSHTGCSQHARDC-UHFFFAOYSA-N 0 3 357.429 3.559 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCc2sccc2C1=O ZINC000892419232 939015820 /nfs/dbraw/zinc/01/58/20/939015820.db2.gz AGNRPAKYADICTB-TZMCWYRMSA-N 0 3 363.442 3.646 20 30 FHEDHN CC1CCN([C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)c2ccccc2)CC1 ZINC000612114422 939079055 /nfs/dbraw/zinc/07/90/55/939079055.db2.gz FZEVWOAWDQQYIE-IFMALSPDSA-N 0 3 368.525 3.795 20 30 FHEDHN N#CC(C(=O)C[C@@H]1CCC2(CCOCC2)CO1)c1ccc2ccccc2n1 ZINC000892428441 939081320 /nfs/dbraw/zinc/08/13/20/939081320.db2.gz ZWKIEIGSEOXLAA-ROUUACIJSA-N 0 3 364.445 3.777 20 30 FHEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1sc(C2CCC2)nc1C ZINC000892465867 939215461 /nfs/dbraw/zinc/21/54/61/939215461.db2.gz VGAQVJHOQBAYQW-HNNXBMFYSA-N 0 3 361.511 3.667 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(OCC(F)F)c2)CC1 ZINC000519286589 945273190 /nfs/dbraw/zinc/27/31/90/945273190.db2.gz DQEJRDFFJWFROR-UHFFFAOYSA-N 0 3 367.440 3.801 20 30 FHEDHN Cc1c([C@H]2CCCN2Cc2cn(CCC#N)nc2-c2ccccc2)cnn1C ZINC000091967016 939885678 /nfs/dbraw/zinc/88/56/78/939885678.db2.gz QFDVJVCYSIXIMX-OAQYLSRUSA-N 0 3 374.492 3.843 20 30 FHEDHN N#CC(C(=O)C[C@H]1CCC2(CCC2)CO1)C(=O)Nc1ccccc1Cl ZINC000892489143 940019091 /nfs/dbraw/zinc/01/90/91/940019091.db2.gz FDKGJMXOJMEIFC-ZIAGYGMSSA-N 0 3 360.841 3.727 20 30 FHEDHN N#CC(C(=O)CCc1c2ccccc2[nH]c1-c1ccccc1)C(=O)NC1CC1 ZINC000892495381 940056073 /nfs/dbraw/zinc/05/60/73/940056073.db2.gz ATTGEANFBFDMKT-LJQANCHMSA-N 0 3 371.440 3.755 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CC[C@H]1CCc2ccccc21 ZINC000892496314 940061607 /nfs/dbraw/zinc/06/16/07/940061607.db2.gz LHQGQFRXNQXGDD-AEFFLSMTSA-N 0 3 362.429 3.853 20 30 FHEDHN C=C[C@@H]1CCCCN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472456077 940208876 /nfs/dbraw/zinc/20/88/76/940208876.db2.gz NGIQSDNROLBKNU-HWOWSKLDSA-N 0 3 359.436 3.542 20 30 FHEDHN C[C@H](Cn1cc(Br)ccc1=O)N[C@@H](CCC#N)c1ccccc1 ZINC000414096237 940498712 /nfs/dbraw/zinc/49/87/12/940498712.db2.gz ICHVEPSJJBWZCW-PBHICJAKSA-N 0 3 374.282 3.634 20 30 FHEDHN CC(C)(C)CC(=O)NCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000066510148 940594145 /nfs/dbraw/zinc/59/41/45/940594145.db2.gz SCARQGAAPKEHMZ-AWEZNQCLSA-N 0 3 355.463 3.539 20 30 FHEDHN COc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000414117120 940607643 /nfs/dbraw/zinc/60/76/43/940607643.db2.gz YQDRYNBSSBVBLE-IIBYNOLFSA-N 0 3 363.461 3.722 20 30 FHEDHN C=CCc1ccccc1OC[C@H](O)CN(Cc1cccc(F)c1)C1CC1 ZINC000613378113 940649391 /nfs/dbraw/zinc/64/93/91/940649391.db2.gz YFDBNHDKGAXAHJ-OAQYLSRUSA-N 0 3 355.453 3.959 20 30 FHEDHN N#CCC[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)c1ccccc1 ZINC000440247576 945338458 /nfs/dbraw/zinc/33/84/58/945338458.db2.gz XVJATTNJNAJVIR-OAQYLSRUSA-N 0 3 368.525 3.939 20 30 FHEDHN Cn1cc(CNCc2cccc3cccnc32)c(-c2ccc(C#N)cc2)n1 ZINC000180154450 940718363 /nfs/dbraw/zinc/71/83/63/940718363.db2.gz YFAIHFYEZCZLFF-UHFFFAOYSA-N 0 3 353.429 3.797 20 30 FHEDHN Cn1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1-c1ccccc1 ZINC000659053278 941054881 /nfs/dbraw/zinc/05/48/81/941054881.db2.gz OOKAKPAMYJRWDX-QGZVFWFLSA-N 0 3 359.433 3.500 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000178584797 941282018 /nfs/dbraw/zinc/28/20/18/941282018.db2.gz JQSUAMHVMDCYKU-UHFFFAOYSA-N 0 3 372.419 3.741 20 30 FHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC(C)(C)CCC#N ZINC000377035804 941499589 /nfs/dbraw/zinc/49/95/89/941499589.db2.gz UPESNIBILQZUCG-SFHVURJKSA-N 0 3 356.514 3.622 20 30 FHEDHN C=CCOc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000513226517 941797826 /nfs/dbraw/zinc/79/78/26/941797826.db2.gz JZZXKMSOBWEQNT-FQEVSTJZSA-N 0 3 350.462 3.646 20 30 FHEDHN C=C(C)Cn1c(C2CC2)nnc1N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000549291024 941857139 /nfs/dbraw/zinc/85/71/39/941857139.db2.gz UJPFAJICKOTDJY-FQEVSTJZSA-N 0 3 365.525 3.832 20 30 FHEDHN CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(C)(C#N)CC2)N(C)C)cc1 ZINC000513364381 941870263 /nfs/dbraw/zinc/87/02/63/941870263.db2.gz NONFPBHFAHPUQG-FQEVSTJZSA-N 0 3 370.541 3.823 20 30 FHEDHN N#Cc1ccc([C@H](NC2CCC(c3ccc(F)cc3)CC2)C(N)=O)cc1 ZINC000513440426 941925971 /nfs/dbraw/zinc/92/59/71/941925971.db2.gz ZGJTYOYHEBDFIS-GQOXECLESA-N 0 3 351.425 3.540 20 30 FHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000728711706 941987061 /nfs/dbraw/zinc/98/70/61/941987061.db2.gz HGBGNJSYRFSYKS-KRWDZBQOSA-N 0 3 363.461 3.503 20 30 FHEDHN CC(C)NC(=O)Nc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000236663326 942090993 /nfs/dbraw/zinc/09/09/93/942090993.db2.gz UTDRYCYSGVCVPM-MRXNPFEDSA-N 0 3 366.465 3.797 20 30 FHEDHN COc1ccc(CN2CCC(c3ccncn3)CC2)cc1OCCCC#N ZINC000414468900 942181559 /nfs/dbraw/zinc/18/15/59/942181559.db2.gz HGQSQTAGUGCSNJ-UHFFFAOYSA-N 0 3 366.465 3.547 20 30 FHEDHN C=CCc1cc(CNC2(C(=O)N(CC)CC)CCCCC2)cc(OC)c1O ZINC000236999507 942223642 /nfs/dbraw/zinc/22/36/42/942223642.db2.gz HVGNVIPRPDKHLL-UHFFFAOYSA-N 0 3 374.525 3.790 20 30 FHEDHN C[C@@H](CN1CCN(c2cccc(C#N)n2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501037522 942279755 /nfs/dbraw/zinc/27/97/55/942279755.db2.gz QNKABQICEKAKJS-HNNXBMFYSA-N 0 3 374.410 3.898 20 30 FHEDHN C[C@@H](CN1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501100656 942307492 /nfs/dbraw/zinc/30/74/92/942307492.db2.gz JMQASFFPRSOPGD-HNNXBMFYSA-N 0 3 374.410 3.898 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000106329500 942313063 /nfs/dbraw/zinc/31/30/63/942313063.db2.gz TZYOPTFPGQFQEA-FQEVSTJZSA-N 0 3 353.466 3.709 20 30 FHEDHN C=CCC1(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CCOCC1 ZINC000424852700 942405106 /nfs/dbraw/zinc/40/51/06/942405106.db2.gz OSBLOGSPNXQUEG-SFHVURJKSA-N 0 3 362.539 3.500 20 30 FHEDHN N#CC(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccncn1 ZINC000545446057 942536118 /nfs/dbraw/zinc/53/61/18/942536118.db2.gz VFUMEXYITPUGDF-GOSISDBHSA-N 0 3 352.397 3.970 20 30 FHEDHN COc1ccc(C#N)cc1CN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502604022 942576754 /nfs/dbraw/zinc/57/67/54/942576754.db2.gz YLVFXBZWIWWMFT-FQEVSTJZSA-N 0 3 356.853 3.712 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccccc3c(OCCC)n2)CC1 ZINC000513719764 942628746 /nfs/dbraw/zinc/62/87/46/942628746.db2.gz DUAAOBNZLNBVGX-UHFFFAOYSA-N 0 3 367.493 3.794 20 30 FHEDHN Cc1c2ccccc2oc1[C@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000183583054 942636329 /nfs/dbraw/zinc/63/63/29/942636329.db2.gz QDVAHADJAOXNLM-RDJZCZTQSA-N 0 3 350.418 3.703 20 30 FHEDHN C=CCN(C(=O)N[C@@H](C)c1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363823399 942762492 /nfs/dbraw/zinc/76/24/92/942762492.db2.gz NXBXJNNEUFLNLV-AZUAARDMSA-N 0 3 364.493 3.615 20 30 FHEDHN C[C@H](N[C@@H](C)c1cccc(OCc2ccccc2)c1)C(=O)N(C)CCC#N ZINC000434634290 942810578 /nfs/dbraw/zinc/81/05/78/942810578.db2.gz RBXCTTIIBUBWDB-ROUUACIJSA-N 0 3 365.477 3.677 20 30 FHEDHN CCN(CCC#N)C(=O)CNC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000505478239 942878429 /nfs/dbraw/zinc/87/84/29/942878429.db2.gz AQHQCWMJZOGNFC-UHFFFAOYSA-N 0 3 367.415 3.826 20 30 FHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(N3CCC(C)CC3)nc2)cc1 ZINC000236678695 942916082 /nfs/dbraw/zinc/91/60/82/942916082.db2.gz JOPKJXYDGVVPIM-GOSISDBHSA-N 0 3 364.493 3.899 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)Cc1c(F)cccc1C#N)c1ccsc1 ZINC000505534851 942985962 /nfs/dbraw/zinc/98/59/62/942985962.db2.gz ZFWFNJAGGGLIRX-SFHVURJKSA-N 0 3 359.470 3.501 20 30 FHEDHN N#Cc1cccc(C2(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2)c1 ZINC000435037261 943103948 /nfs/dbraw/zinc/10/39/48/943103948.db2.gz XNSCZRRYYKJPCL-SFHVURJKSA-N 0 3 365.502 3.605 20 30 FHEDHN C=C(C)COc1cc(CN2CCC(n3ccc(C)n3)CC2)ccc1OC ZINC000435046358 943117730 /nfs/dbraw/zinc/11/77/30/943117730.db2.gz QQGCVNGAXKPAME-UHFFFAOYSA-N 0 3 355.482 3.992 20 30 FHEDHN CC1CCN([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)c2cccs2)CC1 ZINC000272416198 943152253 /nfs/dbraw/zinc/15/22/53/943152253.db2.gz MLXCPKGERZSDJZ-KRWDZBQOSA-N 0 3 374.554 3.856 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000435160476 943215873 /nfs/dbraw/zinc/21/58/73/943215873.db2.gz HYIZGNGUKNAIMW-KSSFIOAISA-N 0 3 352.413 3.654 20 30 FHEDHN N#CCOc1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000272896433 943240469 /nfs/dbraw/zinc/24/04/69/943240469.db2.gz FPPPKXJOOSKXCZ-OAHLLOKOSA-N 0 3 364.371 3.641 20 30 FHEDHN C[C@H]1CCCC[C@H]1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001167740386 943262214 /nfs/dbraw/zinc/26/22/14/943262214.db2.gz KZEYZPUFUSLSKS-HOTGVXAUSA-N 0 3 354.454 3.755 20 30 FHEDHN CS[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000728766643 943326366 /nfs/dbraw/zinc/32/63/66/943326366.db2.gz DZQFEUSYQWNXOE-HIFRSBDPSA-N 0 3 354.431 3.878 20 30 FHEDHN CN(C)CCN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CC1 ZINC000505669609 943332090 /nfs/dbraw/zinc/33/20/90/943332090.db2.gz PGGYALYCMSZACK-UHFFFAOYSA-N 0 3 365.502 3.876 20 30 FHEDHN C[C@@H](CN(C)[C@H](C)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000425368973 943384321 /nfs/dbraw/zinc/38/43/21/943384321.db2.gz YSQYABIYVNIHHJ-JKSUJKDBSA-N 0 3 356.491 3.758 20 30 FHEDHN C=CC[C@@H](C)C(=O)N1CCC2(CCCN(Cc3scnc3C)C2)CC1 ZINC001269960094 943421821 /nfs/dbraw/zinc/42/18/21/943421821.db2.gz LYEHJFBPQLVSLD-MRXNPFEDSA-N 0 3 361.555 3.868 20 30 FHEDHN CC1CCN([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)c2ccccc2)CC1 ZINC000503987834 943443593 /nfs/dbraw/zinc/44/35/93/943443593.db2.gz PZIAXTKPKXUREU-FQEVSTJZSA-N 0 3 368.525 3.795 20 30 FHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435742693 943592787 /nfs/dbraw/zinc/59/27/87/943592787.db2.gz WRNNEIOHKBEUFV-WMLDXEAASA-N 0 3 359.451 3.789 20 30 FHEDHN N#Cc1cccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000504541807 943666015 /nfs/dbraw/zinc/66/60/15/943666015.db2.gz KNGNYDQGSSZOPQ-GOSISDBHSA-N 0 3 355.388 3.654 20 30 FHEDHN CCOc1ccc(Oc2ccccc2NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424085607 943723027 /nfs/dbraw/zinc/72/30/27/943723027.db2.gz ZGSKUHNLMZMEGE-QGZVFWFLSA-N 0 3 353.422 3.837 20 30 FHEDHN COc1ccccc1Oc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1F ZINC000424108561 943734387 /nfs/dbraw/zinc/73/43/87/943734387.db2.gz XJIPCKZNGVMSMS-HNNXBMFYSA-N 0 3 357.385 3.586 20 30 FHEDHN COc1ccc(Sc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)cc1 ZINC000424110161 943735584 /nfs/dbraw/zinc/73/55/84/943735584.db2.gz CBOHHCDGQNFWBF-GOSISDBHSA-N 0 3 355.463 3.806 20 30 FHEDHN Cc1cccc(COc2ccc(NC(=O)[C@H](N)CCCC#N)c(C)c2)c1 ZINC000424111660 943737088 /nfs/dbraw/zinc/73/70/88/943737088.db2.gz GTTBWOCAWSTKBK-LJQANCHMSA-N 0 3 351.450 3.842 20 30 FHEDHN Cc1sc(NC(=O)[C@H](N)CCCC#N)nc1-c1ccc2c(c1)CCC2 ZINC000424117832 943740787 /nfs/dbraw/zinc/74/07/87/943740787.db2.gz ZDJCIAYDEUTUID-MRXNPFEDSA-N 0 3 354.479 3.567 20 30 FHEDHN Cc1cccc(COc2ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc2)c1 ZINC000424117945 943740906 /nfs/dbraw/zinc/74/09/06/943740906.db2.gz ZJWNLJXNGOTFQR-UWJYYQICSA-N 0 3 365.477 3.772 20 30 FHEDHN Cc1cccc(C)c1OC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424125098 943744289 /nfs/dbraw/zinc/74/42/89/943744289.db2.gz QFWJHLMKKCNXQA-VQTJNVASSA-N 0 3 365.477 3.561 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000424126518 943744790 /nfs/dbraw/zinc/74/47/90/943744790.db2.gz PEBRGWJXAUCHMW-ROUUACIJSA-N 0 3 359.832 3.706 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000424126521 943744945 /nfs/dbraw/zinc/74/49/45/943744945.db2.gz PEBRGWJXAUCHMW-ZWKOTPCHSA-N 0 3 359.832 3.706 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)NCc1ccccc1COc1ccccc1Cl ZINC000424127940 943746984 /nfs/dbraw/zinc/74/69/84/943746984.db2.gz QGGXUDQQRQRERL-GOSISDBHSA-N 0 3 371.868 3.556 20 30 FHEDHN COc1cccc([C@@H](NC(=O)[C@H](N)CCCC#N)c2ccccc2Cl)c1 ZINC000424131384 943757841 /nfs/dbraw/zinc/75/78/41/943757841.db2.gz UYIHLCKMHBAGIH-RTBURBONSA-N 0 3 371.868 3.575 20 30 FHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000435883039 943815851 /nfs/dbraw/zinc/81/58/51/943815851.db2.gz IIBSSBQSHDPNBO-UONOGXRCSA-N 0 3 351.288 3.689 20 30 FHEDHN C=CCCc1ccccc1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000505037305 943994343 /nfs/dbraw/zinc/99/43/43/943994343.db2.gz ADEKLAPZMWGRCF-UHFFFAOYSA-N 0 3 359.514 3.816 20 30 FHEDHN CCCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000425853274 944011919 /nfs/dbraw/zinc/01/19/19/944011919.db2.gz VXXCKCVMJTVFFM-PWRODBHTSA-N 0 3 368.525 3.765 20 30 FHEDHN C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000436100173 944014990 /nfs/dbraw/zinc/01/49/90/944014990.db2.gz JFZARARQMWHAMX-XQQFMLRXSA-N 0 3 369.387 3.699 20 30 FHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C[C@H](C)O)C2CCCCC2)c1 ZINC000517136149 944037742 /nfs/dbraw/zinc/03/77/42/944037742.db2.gz VBPLGEKNQYCHNS-IBGZPJMESA-N 0 3 371.525 3.566 20 30 FHEDHN COc1cccc(C2(F)CCN(CCOc3ccccc3C#N)CC2)c1 ZINC000500162503 944189597 /nfs/dbraw/zinc/18/95/97/944189597.db2.gz QNRPWOXPHPTVEE-UHFFFAOYSA-N 0 3 354.425 3.906 20 30 FHEDHN COC(=O)[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1c1ccc(F)cc1F ZINC000425513092 944191133 /nfs/dbraw/zinc/19/11/33/944191133.db2.gz QZEAIYYROMDRNB-FASAQXTFSA-N 0 3 370.399 3.786 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(COc3ccccc3)CC2)CC1 ZINC000517318065 944206857 /nfs/dbraw/zinc/20/68/57/944206857.db2.gz FAZJLFXMTGHYKC-UHFFFAOYSA-N 0 3 371.525 3.528 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2cccc(-c3nc(C)cs3)c2)CC1 ZINC000517376329 944254914 /nfs/dbraw/zinc/25/49/14/944254914.db2.gz BMFVHPWDKQZUDL-UHFFFAOYSA-N 0 3 356.495 3.890 20 30 FHEDHN CC#CCCCC(=O)Nc1ccc(N2CCN(CCC)CC2)cc1OCC ZINC000518433812 944378311 /nfs/dbraw/zinc/37/83/11/944378311.db2.gz XLJXXKOXRIPRMQ-UHFFFAOYSA-N 0 3 371.525 3.749 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC000518510570 944455932 /nfs/dbraw/zinc/45/59/32/944455932.db2.gz WWRBGXQWJUVMOI-UHFFFAOYSA-N 0 3 369.431 3.887 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000171740035 944481702 /nfs/dbraw/zinc/48/17/02/944481702.db2.gz QIWMZRJRULXOJJ-UHFFFAOYSA-N 0 3 352.276 3.529 20 30 FHEDHN C=CCc1cc(OCC)cc(CN(C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000162735466 944688817 /nfs/dbraw/zinc/68/88/17/944688817.db2.gz JXVFNOIQHILLOX-LJQANCHMSA-N 0 3 355.482 3.762 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000517971011 944894425 /nfs/dbraw/zinc/89/44/25/944894425.db2.gz CUHMFWCFURPDRH-CSODHUTKSA-N 0 3 362.477 3.754 20 30 FHEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426133216 944979247 /nfs/dbraw/zinc/97/92/47/944979247.db2.gz HXAGLJQPXPRGAT-UHFFFAOYSA-N 0 3 374.847 3.946 20 30 FHEDHN CC(C)(CCC#N)CN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000507167152 944999482 /nfs/dbraw/zinc/99/94/82/944999482.db2.gz IVGGMDBCTJWDIE-UHFFFAOYSA-N 0 3 364.331 3.897 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)CC1 ZINC000507174218 945023033 /nfs/dbraw/zinc/02/30/33/945023033.db2.gz CBWIJYMQFQZHEA-MGPUTAFESA-N 0 3 361.917 3.915 20 30 FHEDHN Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2Cl)N(C)C)cc1 ZINC000426150190 945026554 /nfs/dbraw/zinc/02/65/54/945026554.db2.gz DMZKURULYVTPKS-GOSISDBHSA-N 0 3 356.857 3.945 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000432084763 945029324 /nfs/dbraw/zinc/02/93/24/945029324.db2.gz JNXAUGDINXKTFQ-QGZVFWFLSA-N 0 3 361.917 3.879 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000432084762 945029628 /nfs/dbraw/zinc/02/96/28/945029628.db2.gz JNXAUGDINXKTFQ-KRWDZBQOSA-N 0 3 361.917 3.879 20 30 FHEDHN CN(C)[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000426157290 945032824 /nfs/dbraw/zinc/03/28/24/945032824.db2.gz SBEADYLEAYPIGY-INIZCTEOSA-N 0 3 356.857 3.506 20 30 FHEDHN N#Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000426155576 945041155 /nfs/dbraw/zinc/04/11/55/945041155.db2.gz YSHQSRJDGJDJPH-KRWDZBQOSA-N 0 3 368.868 3.998 20 30 FHEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)CN1Cc1ccccc1 ZINC000426167270 945050667 /nfs/dbraw/zinc/05/06/67/945050667.db2.gz SGPLRHWGPAANMD-WMLDXEAASA-N 0 3 368.868 3.996 20 30 FHEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000507612457 945374932 /nfs/dbraw/zinc/37/49/32/945374932.db2.gz CJQIRBOHGJZPRI-PXNSSMCTSA-N 0 3 350.462 3.817 20 30 FHEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000330162617 945382336 /nfs/dbraw/zinc/38/23/36/945382336.db2.gz SJGJUZWSKWEZRX-AEFFLSMTSA-N 0 3 362.470 3.619 20 30 FHEDHN Cc1cc(O[C@@H](C)C(=O)C(C#N)c2nnc3n2CCCCC3)ccc1Cl ZINC000125006377 945460488 /nfs/dbraw/zinc/46/04/88/945460488.db2.gz RUVVJEJATXSLKH-ZFWWWQNUSA-N 0 3 372.856 3.610 20 30 FHEDHN C=CCOc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1OC ZINC000519720038 945672837 /nfs/dbraw/zinc/67/28/37/945672837.db2.gz DUORKSDXIHYIOT-QGZVFWFLSA-N 0 3 368.477 3.510 20 30 FHEDHN CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000522833618 945953750 /nfs/dbraw/zinc/95/37/50/945953750.db2.gz ZZRDOJWYHHEGBC-GOSISDBHSA-N 0 3 362.477 3.733 20 30 FHEDHN C=CCC1(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)CCCC1 ZINC000661279393 945955876 /nfs/dbraw/zinc/95/58/76/945955876.db2.gz OLEHFRZUCBXDTD-UHFFFAOYSA-N 0 3 370.541 3.729 20 30 FHEDHN N#Cc1cccc(NC(=O)CCN2CCSC[C@@H]2c2ccccc2)c1 ZINC000444160851 946003675 /nfs/dbraw/zinc/00/36/75/946003675.db2.gz XRZMBBAAFZQSOP-LJQANCHMSA-N 0 3 351.475 3.677 20 30 FHEDHN CCC[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000181777577 946076994 /nfs/dbraw/zinc/07/69/94/946076994.db2.gz TVUJDEZKQAQPAD-FQEVSTJZSA-N 0 3 373.460 3.813 20 30 FHEDHN C[C@H](CCN1CCN(Cc2ccc(C#N)cc2)CC1)OCc1ccccc1 ZINC000475058557 946077749 /nfs/dbraw/zinc/07/77/49/946077749.db2.gz ZBEUYCANBAZSDU-HXUWFJFHSA-N 0 3 363.505 3.671 20 30 FHEDHN C=C(C)COc1cc(CN[C@]2(CO)CCCc3ccccc32)ccc1OC ZINC000441357880 946483803 /nfs/dbraw/zinc/48/38/03/946483803.db2.gz NGRZIHGITFIYIF-QHCPKHFHSA-N 0 3 367.489 3.964 20 30 FHEDHN C=C(C)COc1cc(CN[C@@]2(CO)CCCc3ccccc32)ccc1OC ZINC000441357877 946483841 /nfs/dbraw/zinc/48/38/41/946483841.db2.gz NGRZIHGITFIYIF-HSZRJFAPSA-N 0 3 367.489 3.964 20 30 FHEDHN C=CC1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000441391219 946546712 /nfs/dbraw/zinc/54/67/12/946546712.db2.gz GHLNKKOSJJDMPU-KRWDZBQOSA-N 0 3 350.409 3.681 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000664969002 946601298 /nfs/dbraw/zinc/60/12/98/946601298.db2.gz CHDWMBQJOITRHA-ZIFCJYIRSA-N 0 3 359.539 3.904 20 30 FHEDHN CC(C)N(CCN(C)C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000151933095 946657400 /nfs/dbraw/zinc/65/74/00/946657400.db2.gz OKFTVIUARBPXIV-UHFFFAOYSA-N 0 3 365.477 3.549 20 30 FHEDHN C=C(C)CNC(=S)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000840821963 946758973 /nfs/dbraw/zinc/75/89/73/946758973.db2.gz IPLGRXMNXZGXTH-UHFFFAOYSA-N 0 3 353.919 3.676 20 30 FHEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]CC1CC(c2ccccc2)C1 ZINC000328747874 947008372 /nfs/dbraw/zinc/00/83/72/947008372.db2.gz PGIPIOMQGHNWIS-UUKMXZOPSA-N 0 3 352.482 3.764 20 30 FHEDHN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC[C@H](C2CCOCC2)C1 ZINC000328805162 947028913 /nfs/dbraw/zinc/02/89/13/947028913.db2.gz CYPDPCIPYFJEHG-HHXXYDBFSA-N 0 3 358.482 3.604 20 30 FHEDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CCCC12CCOCC2 ZINC000328815547 947035030 /nfs/dbraw/zinc/03/50/30/947035030.db2.gz NQNXHRWZBGHFQI-WOJBJXKFSA-N 0 3 371.525 3.676 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328831803 947055463 /nfs/dbraw/zinc/05/54/63/947055463.db2.gz RIOGPRWOGCCBJE-YZGWKJHDSA-N 0 3 371.525 3.675 20 30 FHEDHN CC(C)(C)[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCO1 ZINC000328918184 947107549 /nfs/dbraw/zinc/10/75/49/947107549.db2.gz LBQSQZOGFMFGKB-AQNXPRMDSA-N 0 3 373.541 3.921 20 30 FHEDHN CN1C[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)[C@H](c2ccccc2)C1 ZINC000328926499 947112029 /nfs/dbraw/zinc/11/20/29/947112029.db2.gz FHGVWHWJHDWBEB-LPHOPBHVSA-N 0 3 363.461 3.968 20 30 FHEDHN C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)C(=O)NCCN1CCCCC1 ZINC000328981839 947132962 /nfs/dbraw/zinc/13/29/62/947132962.db2.gz DVONATLSPDOTOA-VQIMIIECSA-N 0 3 357.498 3.894 20 30 FHEDHN COc1cc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000440611885 947361490 /nfs/dbraw/zinc/36/14/90/947361490.db2.gz LTVTXUCFNMHXBI-IEBWSBKVSA-N 0 3 360.816 3.979 20 30 FHEDHN CCNC(=O)Nc1ccc(C)c(NC(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000331221083 947373531 /nfs/dbraw/zinc/37/35/31/947373531.db2.gz YKCNOHJAQCSXMX-SFHVURJKSA-N 0 3 360.502 3.790 20 30 FHEDHN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000331242489 947379551 /nfs/dbraw/zinc/37/95/51/947379551.db2.gz PLTKLTCUAPZZCX-GOSISDBHSA-N 0 3 360.502 3.551 20 30 FHEDHN CCCCN1Cc2cccc(N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2C1 ZINC000066967339 948106876 /nfs/dbraw/zinc/10/68/76/948106876.db2.gz HYENOWLYDNTDCQ-IERDGZPVSA-N 0 3 356.514 3.657 20 30 FHEDHN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cc(C#N)ccn1 ZINC001167842920 948394471 /nfs/dbraw/zinc/39/44/71/948394471.db2.gz COQNDMFJWNHBTK-QRWLVFNGSA-N 0 3 358.486 3.516 20 30 FHEDHN N#Cc1ccc(OC2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000507803241 948652993 /nfs/dbraw/zinc/65/29/93/948652993.db2.gz HFDOFBJNHZIEPV-UHFFFAOYSA-N 0 3 358.445 3.787 20 30 FHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000481459523 567956089 /nfs/dbraw/zinc/95/60/89/567956089.db2.gz MPNKZUOGUAAJNO-OALUTQOASA-N 0 3 370.541 3.846 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(Br)c(F)c1 ZINC000602523909 567987587 /nfs/dbraw/zinc/98/75/87/567987587.db2.gz IBXCUQUNUDYDNN-LBPRGKRZSA-N 0 3 355.251 3.777 20 30 FHEDHN CS(=O)(=O)c1cccc([C@@H](NC2CCC(C#N)CC2)c2ccccc2)c1 ZINC000602586968 567994498 /nfs/dbraw/zinc/99/44/98/567994498.db2.gz FJUPUOISCOKLBR-IOYBJCICSA-N 0 3 368.502 3.851 20 30 FHEDHN C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@H](N)CCCCC#N ZINC000602605505 567997117 /nfs/dbraw/zinc/99/71/17/567997117.db2.gz WCBGOESZTJLZMO-AEFFLSMTSA-N 0 3 367.415 3.954 20 30 FHEDHN C[C@@H](CCC#N)CN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000602599897 568000471 /nfs/dbraw/zinc/00/04/71/568000471.db2.gz TTWSELAJVCGHIN-RDJZCZTQSA-N 0 3 357.502 3.658 20 30 FHEDHN Cc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)ccc1Br ZINC000602687702 568011413 /nfs/dbraw/zinc/01/14/13/568011413.db2.gz AAOXAEWGOVVGJH-AWEZNQCLSA-N 0 3 351.288 3.946 20 30 FHEDHN COC(=O)c1cc(C2CCN(Cc3ccc(C(C)(C)C#N)cc3)CC2)no1 ZINC000602742532 568021196 /nfs/dbraw/zinc/02/11/96/568021196.db2.gz HOYONMWRCBJRSW-UHFFFAOYSA-N 0 3 367.449 3.642 20 30 FHEDHN CSc1ccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)N(C)C)cc1 ZINC000568319862 568024099 /nfs/dbraw/zinc/02/40/99/568024099.db2.gz XUJWAHDUGGMSQA-FQEVSTJZSA-N 0 3 367.518 3.632 20 30 FHEDHN N#Cc1cnn2cc(CN3CCCC[C@@H]3CCCc3ccccc3)cnc12 ZINC000568392488 568036702 /nfs/dbraw/zinc/03/67/02/568036702.db2.gz DPDTXWUPUDGKOJ-OAQYLSRUSA-N 0 3 359.477 3.978 20 30 FHEDHN Cc1cc(NC(=O)c2ccc(C#N)s2)cc(N2CCN(C(C)C)CC2)c1 ZINC000481631701 568071880 /nfs/dbraw/zinc/07/18/80/568071880.db2.gz SSJIOMFJFWMNKO-UHFFFAOYSA-N 0 3 368.506 3.711 20 30 FHEDHN CC[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCc2ccccc2C1 ZINC000481709102 568090497 /nfs/dbraw/zinc/09/04/97/568090497.db2.gz BVWRHWSVHZIZGW-LJQANCHMSA-N 0 3 366.440 3.656 20 30 FHEDHN CCOC(=O)C[C@@](C)(NCc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000481716662 568093859 /nfs/dbraw/zinc/09/38/59/568093859.db2.gz HCXGRZKENOTYDP-GOSISDBHSA-N 0 3 354.397 3.617 20 30 FHEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC000481841885 568147916 /nfs/dbraw/zinc/14/79/16/568147916.db2.gz QLMNTMHIHBWAJV-HXUWFJFHSA-N 0 3 370.880 3.831 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000568806700 568229117 /nfs/dbraw/zinc/22/91/17/568229117.db2.gz JTTBWYFCUGRDPH-RTWAWAEBSA-N 0 3 374.488 3.853 20 30 FHEDHN CN1CCC(Oc2ccc(Cl)cc2NCc2nc(C#N)cs2)CC1 ZINC000568847565 568236089 /nfs/dbraw/zinc/23/60/89/568236089.db2.gz NZDUGCRJGWQKGK-UHFFFAOYSA-N 0 3 362.886 3.753 20 30 FHEDHN COc1cc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1C#N ZINC000569171806 568299486 /nfs/dbraw/zinc/29/94/86/568299486.db2.gz CMGBCPLEGKARFN-IBGZPJMESA-N 0 3 373.460 3.732 20 30 FHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520758 568308019 /nfs/dbraw/zinc/30/80/19/568308019.db2.gz MHISSABTTLGMJM-IWLVTHKOSA-N 0 3 371.525 3.529 20 30 FHEDHN COc1ccc2c(c1)C[C@H](C)N(CCC(=O)Nc1ccccc1C#N)[C@H]2C ZINC000541990073 568320824 /nfs/dbraw/zinc/32/08/24/568320824.db2.gz MIOSHFZTGXUESL-HOTGVXAUSA-N 0 3 363.461 3.903 20 30 FHEDHN COc1ccc([C@@H](NCc2ccc(C#N)c(F)c2)C2CCOCC2)cc1 ZINC000365269968 568388392 /nfs/dbraw/zinc/38/83/92/568388392.db2.gz RVQVSNXFNPCDFZ-OAQYLSRUSA-N 0 3 354.425 3.963 20 30 FHEDHN C[C@@H]1CSc2ccccc2CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000365305680 568466242 /nfs/dbraw/zinc/46/62/42/568466242.db2.gz LKKBRNRPXGWLLF-BEFAXECRSA-N 0 3 361.470 3.764 20 30 FHEDHN N#Cc1ccc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)cc1F ZINC000225536730 571337054 /nfs/dbraw/zinc/33/70/54/571337054.db2.gz TWSIGULIBTWMCW-ZDUSSCGKSA-N 0 3 352.335 3.819 20 30 FHEDHN Cc1nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)ccc1CC#N ZINC001164995909 722209436 /nfs/dbraw/zinc/20/94/36/722209436.db2.gz PSJFJMMJKCYBTE-QFIPXVFZSA-N 0 3 364.468 3.840 20 30 FHEDHN C=CCOc1ccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000473073379 945064435 /nfs/dbraw/zinc/06/44/35/945064435.db2.gz BLMTXCDCDWZASF-UHFFFAOYSA-N 0 3 355.453 3.960 20 30 FHEDHN C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000160179778 927094951 /nfs/dbraw/zinc/09/49/51/927094951.db2.gz FIIWNDKGGRIQHA-UTKZUKDTSA-N 0 3 366.461 3.864 20 30 FHEDHN C[C@H](C#N)Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000160179778 927094968 /nfs/dbraw/zinc/09/49/68/927094968.db2.gz FIIWNDKGGRIQHA-UTKZUKDTSA-N 0 3 366.461 3.864 20 30 FHEDHN N#CC(C(=O)CCCc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 ZINC000049486085 927098277 /nfs/dbraw/zinc/09/82/77/927098277.db2.gz PGIJSHGVEJVNNE-IBGZPJMESA-N 0 3 359.429 3.516 20 30 FHEDHN N#CC1(NC(=O)CS[C@H]2CCCN(Cc3ccccc3)C2)CCCCC1 ZINC000579717723 927166989 /nfs/dbraw/zinc/16/69/89/927166989.db2.gz IRFZCKIIRPXNJZ-IBGZPJMESA-N 0 3 371.550 3.727 20 30 FHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@H](C)c2ccccc2)cc1 ZINC000160194102 927221332 /nfs/dbraw/zinc/22/13/32/927221332.db2.gz RKJNQULSNWCLQB-HNAYVOBHSA-N 0 3 350.418 3.926 20 30 FHEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc(-c4ccccn4)c3)C2)nc1 ZINC000430185819 927665349 /nfs/dbraw/zinc/66/53/49/927665349.db2.gz KIUIPQPZBUSMPH-FQEVSTJZSA-N 0 3 356.429 3.669 20 30 FHEDHN CN1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccccc1 ZINC000248045273 937199074 /nfs/dbraw/zinc/19/90/74/937199074.db2.gz MVBNXSPZBAHFTQ-FGZHOGPDSA-N 0 3 374.488 3.678 20 30 FHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000187145781 927976902 /nfs/dbraw/zinc/97/69/02/927976902.db2.gz MNGYVDRKAHQYDS-INIZCTEOSA-N 0 3 354.498 3.716 20 30 FHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C)CCC[C@H]2C)cc1 ZINC000610215470 928190535 /nfs/dbraw/zinc/19/05/35/928190535.db2.gz XWOTXYBGJVLPBY-ZWKOTPCHSA-N 0 3 357.498 3.842 20 30 FHEDHN CCN1CCN([C@H](C)CNc2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000579856358 928615489 /nfs/dbraw/zinc/61/54/89/928615489.db2.gz WGLITEHBPYEEMM-OAHLLOKOSA-N 0 3 371.916 3.506 20 30 FHEDHN COc1cc(N2CCN(CCCc3ccc(C#N)cc3)CC2)ccc1Cl ZINC001208864023 928813112 /nfs/dbraw/zinc/81/31/12/928813112.db2.gz HEWBIROCZGASBM-UHFFFAOYSA-N 0 3 369.896 3.975 20 30 FHEDHN CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000278157136 937278181 /nfs/dbraw/zinc/27/81/81/937278181.db2.gz AZCPBTCYPGLMMN-QRWLVFNGSA-N 0 3 371.506 3.610 20 30 FHEDHN C[C@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000187212523 929553892 /nfs/dbraw/zinc/55/38/92/929553892.db2.gz ZFTJKUHRBCSWFH-KKSFZXQISA-N 0 3 367.518 3.599 20 30 FHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000579967354 929647057 /nfs/dbraw/zinc/64/70/57/929647057.db2.gz FHAGJGMQBWRNIO-KRWDZBQOSA-N 0 3 357.498 3.819 20 30 FHEDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2C[C@@H](O)COc2ccc(CC#N)cc2)o1 ZINC000610372058 930178832 /nfs/dbraw/zinc/17/88/32/930178832.db2.gz XENBZRZMPQWTKP-SCWSEQNSSA-N 0 3 368.477 3.867 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000255374563 930488518 /nfs/dbraw/zinc/48/85/18/930488518.db2.gz RXEVOKBPONLYIM-PLNGDYQASA-N 0 3 365.452 3.691 20 30 FHEDHN C[C@@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000125733248 930735594 /nfs/dbraw/zinc/73/55/94/930735594.db2.gz ADGDBVHZYFXTFU-OAHLLOKOSA-N 0 3 360.379 3.524 20 30 FHEDHN FC(F)Oc1ccc(CNCCOC(F)(F)F)c(OC(F)F)c1 ZINC000398161675 930995973 /nfs/dbraw/zinc/99/59/73/930995973.db2.gz ZZXIHVAPLHFGNW-UHFFFAOYSA-N 0 3 351.218 3.515 20 30 FHEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](Cc2nc(C)cs2)C1)c1ccccc1 ZINC000933125302 931755786 /nfs/dbraw/zinc/75/57/86/931755786.db2.gz KIOYDEKZWJVNIJ-GHTZIAJQSA-N 0 3 367.518 3.757 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccccc2Cn2cncn2)s1 ZINC000430619399 932342575 /nfs/dbraw/zinc/34/25/75/932342575.db2.gz ASZROGCMBRQVBM-HNNXBMFYSA-N 0 3 365.462 3.570 20 30 FHEDHN CC[C@@H](Cc1ccccc1Br)NCc1nc(C#N)cs1 ZINC000581636570 932363917 /nfs/dbraw/zinc/36/39/17/932363917.db2.gz FMPTXGUVGSBOJA-LBPRGKRZSA-N 0 3 350.285 3.888 20 30 FHEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(OC(F)(F)F)cc2)sc1C ZINC000155655559 932597423 /nfs/dbraw/zinc/59/74/23/932597423.db2.gz GMYJJVFQUDSIBN-GFCCVEGCSA-N 0 3 355.341 3.904 20 30 FHEDHN C=CCN(CCC(=O)Nc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000055905839 932739052 /nfs/dbraw/zinc/73/90/52/932739052.db2.gz RINXIPUPEGEEDU-UHFFFAOYSA-N 0 3 354.450 3.721 20 30 FHEDHN N#Cc1c[nH]c(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c1 ZINC000175976147 932947648 /nfs/dbraw/zinc/94/76/48/932947648.db2.gz NMFIUIVVMOMWBM-UHFFFAOYSA-N 0 3 362.477 3.547 20 30 FHEDHN CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000471927181 933834965 /nfs/dbraw/zinc/83/49/65/933834965.db2.gz ADJCPGXNMZEEGK-QZTJIDSGSA-N 0 3 354.841 3.779 20 30 FHEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000510856878 933874096 /nfs/dbraw/zinc/87/40/96/933874096.db2.gz LSVDARLIYGVCAO-UHFFFAOYSA-N 0 3 358.486 3.543 20 30 FHEDHN Cc1ccc(C(=O)NC2CCN([C@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000187665081 934133102 /nfs/dbraw/zinc/13/31/02/934133102.db2.gz KNNUERRVBXZNMI-OAHLLOKOSA-N 0 3 353.491 3.884 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000187666367 934133981 /nfs/dbraw/zinc/13/39/81/934133981.db2.gz HLZRNKQTOMIRGV-OAHLLOKOSA-N 0 3 359.433 3.944 20 30 FHEDHN COc1ccc([C@@H](C/N=C/c2cc(OC)ccc2O)N2CCCC2)cc1 ZINC000022768428 934363049 /nfs/dbraw/zinc/36/30/49/934363049.db2.gz DXHXRDUGPFXIRD-YRXLECQKSA-N 0 3 354.450 3.665 20 30 FHEDHN CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610830432 934502638 /nfs/dbraw/zinc/50/26/38/934502638.db2.gz STWMUEQTQRCBCG-CABCVRRESA-N 0 3 357.479 3.732 20 30 FHEDHN C[C@@H](N[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1cccc(C#N)c1 ZINC000610829846 934502683 /nfs/dbraw/zinc/50/26/83/934502683.db2.gz OKBYOOYDMLTKKK-CVEARBPZSA-N 0 3 369.490 3.510 20 30 FHEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000084294936 934817179 /nfs/dbraw/zinc/81/71/79/934817179.db2.gz IAHWUPPPLRYSLG-UHFFFAOYSA-N 0 3 362.886 3.869 20 30 FHEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cncs1 ZINC000934196768 934979963 /nfs/dbraw/zinc/97/99/63/934979963.db2.gz DLNUSLGNGBCVJV-NWDGAFQWSA-N 0 3 374.535 3.880 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn([C@H](C)CC)c2C2CC2)CC1 ZINC000536511418 935124030 /nfs/dbraw/zinc/12/40/30/935124030.db2.gz QHSKSDISMFLRDI-OAHLLOKOSA-N 0 3 359.518 3.894 20 30 FHEDHN C=CCCn1cc(CNCC(C)(C)c2cccc(Br)c2)nn1 ZINC000657341223 935278364 /nfs/dbraw/zinc/27/83/64/935278364.db2.gz PPVQBWPRQLVKDQ-UHFFFAOYSA-N 0 3 363.303 3.684 20 30 FHEDHN CC(C)[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000507272121 945097571 /nfs/dbraw/zinc/09/75/71/945097571.db2.gz JXJITDFHDWSUEW-RBUKOAKNSA-N 0 3 355.869 3.767 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000178546659 935391401 /nfs/dbraw/zinc/39/14/01/935391401.db2.gz WGWGDYMAYDTPMR-UHFFFAOYSA-N 0 3 354.429 3.602 20 30 FHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000118394287 935401139 /nfs/dbraw/zinc/40/11/39/935401139.db2.gz KKNLQVSPWPBBAT-INIZCTEOSA-N 0 3 354.498 3.716 20 30 FHEDHN CCOc1cccc(/C=N/C2CCN([C@H](C)c3ccncc3)CC2)c1O ZINC000158273889 935478465 /nfs/dbraw/zinc/47/84/65/935478465.db2.gz SERMACGJACKDLG-LGVXEURYSA-N 0 3 353.466 3.830 20 30 FHEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCC2CCCCC2)cc1 ZINC000051620631 935560279 /nfs/dbraw/zinc/56/02/79/935560279.db2.gz ODTDGOACMHUKHU-LJQANCHMSA-N 0 3 356.466 3.771 20 30 FHEDHN N#CC1(C[C@H](O)CN2CCC(C(=O)c3ccccc3Cl)CC2)CCC1 ZINC000934418028 935608656 /nfs/dbraw/zinc/60/86/56/935608656.db2.gz PANKZGHJNJUBMP-INIZCTEOSA-N 0 3 360.885 3.680 20 30 FHEDHN N#CC(C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)NC1CCCC1 ZINC000051651907 935644528 /nfs/dbraw/zinc/64/45/28/935644528.db2.gz TWVSBAGZUWICLH-KRWDZBQOSA-N 0 3 368.408 3.786 20 30 FHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CSc2ccc(F)c(F)c2)c1 ZINC000127705621 935751322 /nfs/dbraw/zinc/75/13/22/935751322.db2.gz ZMRHXIVSGUCSOT-CQSZACIVSA-N 0 3 360.385 3.713 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000582472816 935758525 /nfs/dbraw/zinc/75/85/25/935758525.db2.gz CROKGJJEIILVIJ-HAFPXEGZSA-N 0 3 359.473 3.613 20 30 FHEDHN N#C[C@]1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC12CCCC2 ZINC000294614581 945123439 /nfs/dbraw/zinc/12/34/39/945123439.db2.gz DSZJBGLNAHBOSV-NRFANRHFSA-N 0 3 369.534 3.690 20 30 FHEDHN Cc1ccc(C(C)C)c(OCC(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000127868135 935828332 /nfs/dbraw/zinc/82/83/32/935828332.db2.gz HSPUMIJIBZKQGJ-GOSISDBHSA-N 0 3 350.418 3.845 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C#N)c1ccccc1 ZINC000516663989 945127160 /nfs/dbraw/zinc/12/71/60/945127160.db2.gz ITHIGLPZELBPFI-GOSISDBHSA-N 0 3 367.522 3.849 20 30 FHEDHN COc1cc(CN2CCC(CC#N)CC2)ccc1OCc1ccncc1 ZINC000611622776 935836515 /nfs/dbraw/zinc/83/65/15/935836515.db2.gz GANLBIZAUJOGBJ-UHFFFAOYSA-N 0 3 351.450 3.795 20 30 FHEDHN C=CCCn1cc(CN[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)nn1 ZINC000657498113 935877425 /nfs/dbraw/zinc/87/74/25/935877425.db2.gz NTSZSBVJZSSJSW-AWEZNQCLSA-N 0 3 355.873 3.636 20 30 FHEDHN COc1cc(CNCc2cccc(OCc3ccccn3)c2)ccc1C#N ZINC000582635299 935897270 /nfs/dbraw/zinc/89/72/70/935897270.db2.gz VIZYASGNMYHKQO-UHFFFAOYSA-N 0 3 359.429 3.831 20 30 FHEDHN C[C@H]1[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCN1Cc1ccccc1 ZINC000582805938 936141856 /nfs/dbraw/zinc/14/18/56/936141856.db2.gz UYBAWTNYIVRORO-LAUBAEHRSA-N 0 3 359.473 3.635 20 30 FHEDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000161669591 936283281 /nfs/dbraw/zinc/28/32/81/936283281.db2.gz BDICCKHIVIBZLK-UHFFFAOYSA-N 0 3 350.466 3.771 20 30 FHEDHN CCOc1ccc(N(CCC#N)C(=O)CNC(C)(C)c2ccccc2)cc1 ZINC000507378257 945175105 /nfs/dbraw/zinc/17/51/05/945175105.db2.gz KESXNAXQQVSGRE-UHFFFAOYSA-N 0 3 365.477 3.857 20 30 FHEDHN CSc1ccc(O[C@H](C)C(=O)C(C#N)C(=O)Nc2cccc(C)c2)cc1 ZINC000158709444 938568182 /nfs/dbraw/zinc/56/81/82/938568182.db2.gz TYMJKNPHDGAVQH-KDOFPFPSSA-N 0 3 368.458 3.832 20 30 FHEDHN C=C(C)[C@@H](NC[C@H](O)COCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187786136 938779453 /nfs/dbraw/zinc/77/94/53/938779453.db2.gz QTZZJHQOVALAFS-OXJNMPFZSA-N 0 3 365.395 3.888 20 30 FHEDHN N#CCCCCCC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000588949154 938806586 /nfs/dbraw/zinc/80/65/86/938806586.db2.gz GWCNXNATDUCYDX-LJQANCHMSA-N 0 3 365.481 3.743 20 30 FHEDHN CC[C@H](NCc1cc(F)ccc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000278768111 938847275 /nfs/dbraw/zinc/84/72/75/938847275.db2.gz OZPDIOITRXTXKV-FQEVSTJZSA-N 0 3 353.441 3.775 20 30 FHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472355635 939020125 /nfs/dbraw/zinc/02/01/25/939020125.db2.gz YIZNSMYMRBNWQX-NLWGTHIKSA-N 0 3 353.510 3.671 20 30 FHEDHN CCc1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2Cl)N(C)C)cc1 ZINC000506026461 945232794 /nfs/dbraw/zinc/23/27/94/945232794.db2.gz KMJYWHXJVPOXIA-LJQANCHMSA-N 0 3 355.869 3.807 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)CC1 ZINC000519301388 945290059 /nfs/dbraw/zinc/29/00/59/945290059.db2.gz BDNJNKGXTPDADE-FQEVSTJZSA-N 0 3 357.498 3.582 20 30 FHEDHN CC1(C)CO[C@@H](CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000892497384 940070140 /nfs/dbraw/zinc/07/01/40/940070140.db2.gz ZAYYZHGCXQLEMR-NWDGAFQWSA-N 0 3 369.248 3.846 20 30 FHEDHN C[C@H](CCC#N)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000298790979 945312509 /nfs/dbraw/zinc/31/25/09/945312509.db2.gz YISDOCWRWLVWTH-OLZOCXBDSA-N 0 3 351.376 3.620 20 30 FHEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000066510522 940594600 /nfs/dbraw/zinc/59/46/00/940594600.db2.gz QXIDUXOPIFKCSE-WBMJQRKESA-N 0 3 366.383 3.967 20 30 FHEDHN Cn1cc(CNCc2cccc(OC(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180172873 940738988 /nfs/dbraw/zinc/73/89/88/940738988.db2.gz WGMMJTDHCCMDCT-UHFFFAOYSA-N 0 3 368.387 3.850 20 30 FHEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000376340810 940803837 /nfs/dbraw/zinc/80/38/37/940803837.db2.gz MCRYGASFLBYHJO-RBBKRZOGSA-N 0 3 363.505 3.770 20 30 FHEDHN C#C[C@@H](CC)NCc1cc(Br)c(OC)c(Br)c1 ZINC000229890822 940891677 /nfs/dbraw/zinc/89/16/77/940891677.db2.gz RMAZHIBRXYVERI-JTQLQIEISA-N 0 3 361.077 3.722 20 30 FHEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(C#N)cn3C)n2)cc1 ZINC000176112707 940986793 /nfs/dbraw/zinc/98/67/93/940986793.db2.gz DOBSZEVEDNCNLR-OAHLLOKOSA-N 0 3 362.414 3.519 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccn1C1CCCC1 ZINC000181106114 941109476 /nfs/dbraw/zinc/10/94/76/941109476.db2.gz FBARCOLSXBGGBS-UHFFFAOYSA-N 0 3 364.493 3.679 20 30 FHEDHN C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)CCN1Cc1ccccc1 ZINC000177897631 941153574 /nfs/dbraw/zinc/15/35/74/941153574.db2.gz OUZWBKBRKJVTGR-MRXNPFEDSA-N 0 3 366.440 3.826 20 30 FHEDHN C=CCN1CCC(NC(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000178525702 941275184 /nfs/dbraw/zinc/27/51/84/941275184.db2.gz MDCFSPFHWIHZHB-UHFFFAOYSA-N 0 3 373.294 3.983 20 30 FHEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc(O)c1 ZINC000181498745 941356015 /nfs/dbraw/zinc/35/60/15/941356015.db2.gz FEMVAMPKJQIBJP-ZDUSSCGKSA-N 0 3 369.490 3.884 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000377398221 941691946 /nfs/dbraw/zinc/69/19/46/941691946.db2.gz JCGPCCWZGATBMT-OAQYLSRUSA-N 0 3 364.493 3.511 20 30 FHEDHN C=CCc1cc(CN2CC[C@@H](n3ncc4ccccc43)C2)cc(OC)c1O ZINC000513391668 941888060 /nfs/dbraw/zinc/88/80/60/941888060.db2.gz ZCSGDCZVZLECFZ-LJQANCHMSA-N 0 3 363.461 3.926 20 30 FHEDHN N#CC1(COC(=O)c2cnc(C3CC3)o2)CCN(Cc2ccccc2)CC1 ZINC000893116295 942066808 /nfs/dbraw/zinc/06/68/08/942066808.db2.gz ZHKPJFURPCUYBG-UHFFFAOYSA-N 0 3 365.433 3.515 20 30 FHEDHN CN1CC[C@@H](CNc2cccc(Br)c2C#N)[C@@H]1c1cccnc1 ZINC000377974352 942102171 /nfs/dbraw/zinc/10/21/71/942102171.db2.gz SSWWGTQEHMDYNQ-KSSFIOAISA-N 0 3 371.282 3.821 20 30 FHEDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000183428606 942216134 /nfs/dbraw/zinc/21/61/34/942216134.db2.gz PTKMMBDZXLNHQV-NHCUHLMSSA-N 0 3 368.502 3.671 20 30 FHEDHN CN1CCC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000502129131 942236321 /nfs/dbraw/zinc/23/63/21/942236321.db2.gz XGVVOJZHPAQNML-INIZCTEOSA-N 0 3 351.475 3.533 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC000188041419 942310752 /nfs/dbraw/zinc/31/07/52/942310752.db2.gz XVHSPDNAJHRFIC-UHFFFAOYSA-N 0 3 361.917 3.879 20 30 FHEDHN N#Cc1ccc2nc(NC3CC(N4CCC(C(F)(F)F)CC4)C3)ccc2c1 ZINC000366858887 942470286 /nfs/dbraw/zinc/47/02/86/942470286.db2.gz RIRZJIGODMXNDX-UHFFFAOYSA-N 0 3 374.410 3.746 20 30 FHEDHN N#Cc1cnc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(Cl)c1 ZINC000366502204 942471752 /nfs/dbraw/zinc/47/17/52/942471752.db2.gz ADVOXMKMFQOTDJ-UHFFFAOYSA-N 0 3 358.795 3.824 20 30 FHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](Oc2ccccc2)C1 ZINC000502552224 942519209 /nfs/dbraw/zinc/51/92/09/942519209.db2.gz BFVMEIAXRVVGPQ-UNMCSNQZSA-N 0 3 367.489 3.698 20 30 FHEDHN N#Cc1ccc(C2=CCN(CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000502555703 942539157 /nfs/dbraw/zinc/53/91/57/942539157.db2.gz ZACSQSKQIVTIBI-UHFFFAOYSA-N 0 3 356.429 3.940 20 30 FHEDHN COCCOc1cccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000513717220 942543871 /nfs/dbraw/zinc/54/38/71/942543871.db2.gz MVGGJHFJJCCMOR-UHFFFAOYSA-N 0 3 366.461 3.627 20 30 FHEDHN N#Cc1cccc(OCCN[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000501561720 942550574 /nfs/dbraw/zinc/55/05/74/942550574.db2.gz NXSIJUNUOBMOJV-QGZVFWFLSA-N 0 3 373.250 3.813 20 30 FHEDHN Cc1ccn(C2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)n1 ZINC000378349316 942632203 /nfs/dbraw/zinc/63/22/03/942632203.db2.gz JIHJZSVCNGUFII-UHFFFAOYSA-N 0 3 374.492 3.806 20 30 FHEDHN CC1(C)CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H]1C#N ZINC000434446997 942671279 /nfs/dbraw/zinc/67/12/79/942671279.db2.gz SGUXCUAXWBBVDZ-PKOBYXMFSA-N 0 3 357.473 3.578 20 30 FHEDHN Cc1ccccc1C[C@H]1CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000514185651 942794647 /nfs/dbraw/zinc/79/46/47/942794647.db2.gz JIEGZARAXNGJDE-HXUWFJFHSA-N 0 3 353.510 3.687 20 30 FHEDHN C[C@@H](N[C@@H](C)c1cccc(OCc2ccccc2)c1)C(=O)N(C)CCC#N ZINC000434634291 942810836 /nfs/dbraw/zinc/81/08/36/942810836.db2.gz RBXCTTIIBUBWDB-ZWKOTPCHSA-N 0 3 365.477 3.677 20 30 FHEDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000421924901 942893429 /nfs/dbraw/zinc/89/34/29/942893429.db2.gz OQSBJYSLVNOFRL-NZSAHSFTSA-N 0 3 370.493 3.728 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000473002675 942970047 /nfs/dbraw/zinc/97/00/47/942970047.db2.gz QSBOZEWROCQSLC-UYAOXDASSA-N 0 3 355.526 3.690 20 30 FHEDHN Cc1cc(F)ccc1CN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434987465 943088178 /nfs/dbraw/zinc/08/81/78/943088178.db2.gz MZGNJDVRWMBUPG-UHFFFAOYSA-N 0 3 363.440 3.938 20 30 FHEDHN C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000505606774 943176227 /nfs/dbraw/zinc/17/62/27/943176227.db2.gz GQHUAWYWADEVMR-QRWLVFNGSA-N 0 3 365.452 3.537 20 30 FHEDHN CN(C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000435152278 943193550 /nfs/dbraw/zinc/19/35/50/943193550.db2.gz SMCQGYNIRZTERA-LJQANCHMSA-N 0 3 366.440 3.826 20 30 FHEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1C#N ZINC000435153576 943194422 /nfs/dbraw/zinc/19/44/22/943194422.db2.gz LBKZDOKWFUATKR-UHFFFAOYSA-N 0 3 374.847 3.946 20 30 FHEDHN C=CC[C@@H]1CCCN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)C1 ZINC000664332037 943333520 /nfs/dbraw/zinc/33/35/20/943333520.db2.gz BHAPKEABMHWWEL-LJQANCHMSA-N 0 3 370.541 3.957 20 30 FHEDHN COCCOc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000425365997 943376345 /nfs/dbraw/zinc/37/63/45/943376345.db2.gz NTWXKZXVTUJPAH-INIZCTEOSA-N 0 3 354.450 3.785 20 30 FHEDHN Cc1c(C#N)c(NC2CCN([C@H](C)c3ccncc3)CC2)nc2ccccc12 ZINC000514932860 943402731 /nfs/dbraw/zinc/40/27/31/943402731.db2.gz MLJCPETZRWQZLI-QGZVFWFLSA-N 0 3 371.488 3.869 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000503912142 943417144 /nfs/dbraw/zinc/41/71/44/943417144.db2.gz RQNAQEOELPJZRX-KUFMOJEASA-N 0 3 353.510 3.914 20 30 FHEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NCc1nc(C#N)cs1 ZINC000514975091 943427676 /nfs/dbraw/zinc/42/76/76/943427676.db2.gz BCJUIBCHUBKLAB-GOSISDBHSA-N 0 3 354.523 3.577 20 30 FHEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CN(C[C@H](CC)CCCC)C[C@@H](C1)O2 ZINC001269977035 943469593 /nfs/dbraw/zinc/46/95/93/943469593.db2.gz GVZOVWZVUZDYPZ-QRVBRYPASA-N 0 3 350.547 3.717 20 30 FHEDHN COC(=O)COc1ccccc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417374287 943544272 /nfs/dbraw/zinc/54/42/72/943544272.db2.gz XWWHJCHRFJIKLH-QRWLVFNGSA-N 0 3 364.445 3.838 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000424080670 943714008 /nfs/dbraw/zinc/71/40/08/943714008.db2.gz TUMKVQAGKNFAKO-MRXNPFEDSA-N 0 3 354.479 3.649 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000424109505 943734886 /nfs/dbraw/zinc/73/48/86/943734886.db2.gz BDDUDYVTODTIBJ-OALUTQOASA-N 0 3 355.869 3.761 20 30 FHEDHN CC(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424110972 943737131 /nfs/dbraw/zinc/73/71/31/943737131.db2.gz DZIDCVHNEWFSAM-CVEARBPZSA-N 0 3 355.404 3.930 20 30 FHEDHN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424117543 943740267 /nfs/dbraw/zinc/74/02/67/943740267.db2.gz CKYQCLFVXBWCPS-OXQOHEQNSA-N 0 3 365.477 3.903 20 30 FHEDHN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000424118972 943741544 /nfs/dbraw/zinc/74/15/44/943741544.db2.gz DAAMYMIPTFEFRA-INIZCTEOSA-N 0 3 363.575 3.590 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000424119720 943742199 /nfs/dbraw/zinc/74/21/99/943742199.db2.gz GDSZNTIZYGOBEU-MRXNPFEDSA-N 0 3 357.841 3.879 20 30 FHEDHN CC(C)(C)Oc1ccc(CNC(=O)[C@H](N)CCCC#N)c(C(F)(F)F)c1 ZINC000424122899 943743680 /nfs/dbraw/zinc/74/36/80/943743680.db2.gz JIYVHHPYEMCKMG-OAHLLOKOSA-N 0 3 371.403 3.520 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000424137086 943748256 /nfs/dbraw/zinc/74/82/56/943748256.db2.gz LKNCTCBKSCXXKY-QGZVFWFLSA-N 0 3 367.415 3.998 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000424146536 943750037 /nfs/dbraw/zinc/75/00/37/943750037.db2.gz WPRICAABXLGAQJ-GOSISDBHSA-N 0 3 357.841 3.879 20 30 FHEDHN C=CCN(Cc1ccccc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000504965738 943942796 /nfs/dbraw/zinc/94/27/96/943942796.db2.gz QBIINZXSVPMOTF-UHFFFAOYSA-N 0 3 373.566 3.746 20 30 FHEDHN C[C@@H]1CC[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2sccc21 ZINC000515599125 944036192 /nfs/dbraw/zinc/03/61/92/944036192.db2.gz HWPVZRMTVRNWON-CCKFTAQKSA-N 0 3 365.502 3.949 20 30 FHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C[C@@H](C)O)C2CCCCC2)c1 ZINC000517136150 944037681 /nfs/dbraw/zinc/03/76/81/944037681.db2.gz VBPLGEKNQYCHNS-LJQANCHMSA-N 0 3 371.525 3.566 20 30 FHEDHN N#CCCn1cc(CN2CCC(OC3CCC3)CC2)c(-c2ccccc2)n1 ZINC000418100932 944156328 /nfs/dbraw/zinc/15/63/28/944156328.db2.gz RRCOZCHJTVKMLT-UHFFFAOYSA-N 0 3 364.493 3.997 20 30 FHEDHN CCN(CCc1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000425554515 944324911 /nfs/dbraw/zinc/32/49/11/944324911.db2.gz WPROAIODPFCDPF-CQSZACIVSA-N 0 3 367.415 3.521 20 30 FHEDHN C=CC1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000111742405 944421661 /nfs/dbraw/zinc/42/16/61/944421661.db2.gz RFYPZLAOHIAKTD-UHFFFAOYSA-N 0 3 359.539 3.708 20 30 FHEDHN Cc1cc([C@@H]2CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)on1 ZINC000505848512 944425650 /nfs/dbraw/zinc/42/56/50/944425650.db2.gz UPGHEZIOKSSJSB-INIZCTEOSA-N 0 3 358.829 3.674 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CCc3c(cccc3C(C)C)C2)CC1 ZINC000473823444 944571431 /nfs/dbraw/zinc/57/14/31/944571431.db2.gz RYDATAIPKHMVKH-UHFFFAOYSA-N 0 3 355.526 3.918 20 30 FHEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)NCCN1CCC(C)CC1 ZINC000518684527 944595575 /nfs/dbraw/zinc/59/55/75/944595575.db2.gz FUXPBIBYKDCTKG-INIZCTEOSA-N 0 3 360.527 3.792 20 30 FHEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000518751972 944695169 /nfs/dbraw/zinc/69/51/69/944695169.db2.gz BVNOIJBRSAQJHN-GOSISDBHSA-N 0 3 371.525 3.633 20 30 FHEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000518751973 944695444 /nfs/dbraw/zinc/69/54/44/944695444.db2.gz BVNOIJBRSAQJHN-SFHVURJKSA-N 0 3 371.525 3.633 20 30 FHEDHN C=CCN1CCC(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000517982120 944906047 /nfs/dbraw/zinc/90/60/47/944906047.db2.gz CPWRBHUSVVRYTH-UHFFFAOYSA-N 0 3 371.506 3.507 20 30 FHEDHN Cc1cc(C(=O)Nc2cc(C)cc(CN(C)C)c2)nn1-c1cccc(C#N)c1 ZINC000507091844 944929688 /nfs/dbraw/zinc/92/96/88/944929688.db2.gz ZMXCGRSHQGPQGA-UHFFFAOYSA-N 0 3 373.460 3.675 20 30 FHEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC000426950622 944961723 /nfs/dbraw/zinc/96/17/23/944961723.db2.gz GMHIIYMDALFUDV-UHFFFAOYSA-N 0 3 355.869 3.724 20 30 FHEDHN CCCCCCCCC(=O)N1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001270163296 944967244 /nfs/dbraw/zinc/96/72/44/944967244.db2.gz ANQYTHNLSPEXEV-UHFFFAOYSA-N 0 3 360.546 3.975 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@](F)(c3ccccc3C)C2)CC1 ZINC000507178783 945009495 /nfs/dbraw/zinc/00/94/95/945009495.db2.gz IVWPPFLRRVYZBT-OAQYLSRUSA-N 0 3 359.489 3.616 20 30 FHEDHN C[C@H](c1ccncc1)N1CCC(Nc2cccc(-n3cccn3)c2C#N)CC1 ZINC000578906684 945054273 /nfs/dbraw/zinc/05/42/73/945054273.db2.gz RBGQPRPSASLXKC-QGZVFWFLSA-N 0 3 372.476 3.776 20 30 FHEDHN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000330142489 945375582 /nfs/dbraw/zinc/37/55/82/945375582.db2.gz YHINDXOJIXFQKO-QZTJIDSGSA-N 0 3 356.445 3.937 20 30 FHEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000330255225 945427676 /nfs/dbraw/zinc/42/76/76/945427676.db2.gz JWGLZBXWCQXCCT-VQISRLSMSA-N 0 3 353.260 3.583 20 30 FHEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000473615610 945496435 /nfs/dbraw/zinc/49/64/35/945496435.db2.gz QHNNCTHVXIHICI-IFMALSPDSA-N 0 3 358.526 3.805 20 30 FHEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000125092913 945594712 /nfs/dbraw/zinc/59/47/12/945594712.db2.gz ZDIUHYWRDRIJKP-AWEZNQCLSA-N 0 3 365.389 3.910 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)CC1 ZINC000281360900 945612852 /nfs/dbraw/zinc/61/28/52/945612852.db2.gz PSQKHILLGZEAGX-UHFFFAOYSA-N 0 3 373.888 3.606 20 30 FHEDHN Cc1nc2c(n1[C@@H]1CCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)C1)CCCC2 ZINC000330355910 945660719 /nfs/dbraw/zinc/66/07/19/945660719.db2.gz RBFKAQSHEQEMNS-CGTJXYLNSA-N 0 3 358.530 3.852 20 30 FHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000661116754 945747960 /nfs/dbraw/zinc/74/79/60/945747960.db2.gz ZWEKGQXLTWEMJR-DNVCBOLYSA-N 0 3 374.506 3.970 20 30 FHEDHN COc1ccc(C#N)cc1CN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519850047 945819108 /nfs/dbraw/zinc/81/91/08/945819108.db2.gz LJPPLSJNIRFKFO-UYAOXDASSA-N 0 3 373.859 3.894 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCOc2ccccc2C)c1 ZINC000127148379 945850350 /nfs/dbraw/zinc/85/03/50/945850350.db2.gz GAHLPGUTXOBFLS-GOSISDBHSA-N 0 3 366.417 3.510 20 30 FHEDHN COc1cc(CN[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)ccc1C#N ZINC000281848472 945880145 /nfs/dbraw/zinc/88/01/45/945880145.db2.gz YYRDHPAQQYYOKO-CQSZACIVSA-N 0 3 364.449 3.702 20 30 FHEDHN N#Cc1ccc(CCC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000075630876 946101549 /nfs/dbraw/zinc/10/15/49/946101549.db2.gz BYJOQJWBFQUBCV-JOCHJYFZSA-N 0 3 361.489 3.834 20 30 FHEDHN C=CCCCN(C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000522945144 946142612 /nfs/dbraw/zinc/14/26/12/946142612.db2.gz PPOYCEFNRNUWFL-GOSISDBHSA-N 0 3 354.416 3.866 20 30 FHEDHN Cc1nc2ccccc2nc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000046086480 946339461 /nfs/dbraw/zinc/33/94/61/946339461.db2.gz LTJNIKDLQDRMPK-UHFFFAOYSA-N 0 3 357.461 3.522 20 30 FHEDHN N#CCCn1cc(CN2CCC(F)(C3CC3)CC2)c(-c2ccncc2)n1 ZINC000896945988 946348441 /nfs/dbraw/zinc/34/84/41/946348441.db2.gz LLZTYEJEOKXEEF-UHFFFAOYSA-N 0 3 353.445 3.573 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCOc2ccccc2F)cc1 ZINC000125541249 946542888 /nfs/dbraw/zinc/54/28/88/946542888.db2.gz WNSXJUMONGCSSH-QGZVFWFLSA-N 0 3 368.408 3.895 20 30 FHEDHN CCn1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000473141683 946580395 /nfs/dbraw/zinc/58/03/95/946580395.db2.gz AKDLTVWPCDVARM-UHFFFAOYSA-N 0 3 373.504 3.636 20 30 FHEDHN C=CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C(C)(C)C ZINC000661755668 946591368 /nfs/dbraw/zinc/59/13/68/946591368.db2.gz OHAUQYCCKNZMQV-SFHVURJKSA-N 0 3 372.509 3.798 20 30 FHEDHN C=CCN1CCC(NC(=O)C2(c3ccc(C)c(OC)c3)CCCC2)CC1 ZINC000170982711 946700393 /nfs/dbraw/zinc/70/03/93/946700393.db2.gz SYSXMANHVNGTFO-UHFFFAOYSA-N 0 3 356.510 3.582 20 30 FHEDHN N#C[C@@H](c1ccccc1)N1CCN(CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001167785185 946927089 /nfs/dbraw/zinc/92/70/89/946927089.db2.gz RROCHDHJGHMQRR-LEWJYISDSA-N 0 3 353.510 3.608 20 30 FHEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)CN1Cc1ccccc1 ZINC000328693014 946990527 /nfs/dbraw/zinc/99/05/27/946990527.db2.gz CKBMEEMDUXTNNF-YZGWKJHDSA-N 0 3 371.525 3.502 20 30 FHEDHN N#Cc1ccccc1NC(=O)CCN1CCS[C@@H](c2ccccc2)C1 ZINC000609800487 947006529 /nfs/dbraw/zinc/00/65/29/947006529.db2.gz JPOSOWAUVWYHOD-LJQANCHMSA-N 0 3 351.475 3.677 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328807668 947029878 /nfs/dbraw/zinc/02/98/78/947029878.db2.gz MFFSGSVWPLCWGR-YGWPLHOASA-N 0 3 374.525 3.650 20 30 FHEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000328784742 947045600 /nfs/dbraw/zinc/04/56/00/947045600.db2.gz IJVXUNRZTZMGSK-TXPKVOOTSA-N 0 3 357.498 3.999 20 30 FHEDHN N#CC(C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1ccccn1 ZINC000049458276 947074557 /nfs/dbraw/zinc/07/45/57/947074557.db2.gz NOGAELOBUUYTBA-OAHLLOKOSA-N 0 3 367.206 3.520 20 30 FHEDHN Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@H](C3CCOCC3)C2)c(C)c1 ZINC000328870955 947076361 /nfs/dbraw/zinc/07/63/61/947076361.db2.gz YDWDPRIJBGTVDC-WMZOPIPTSA-N 0 3 373.497 3.942 20 30 FHEDHN C=CCC[C@H]([NH2+]CCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573334148 947449977 /nfs/dbraw/zinc/44/99/77/947449977.db2.gz KLARRXIMVATWPN-FQEVSTJZSA-N 0 3 363.465 3.933 20 30 FHEDHN C=CC[N@H+](CCCCC1(C#N)CCC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573341702 947534159 /nfs/dbraw/zinc/53/41/59/947534159.db2.gz OZGDBEBPRYXCIK-UHFFFAOYSA-N 0 3 350.470 3.719 20 30 FHEDHN C=CC[N@@H+](CCCCC1(C#N)CCC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573341702 947534170 /nfs/dbraw/zinc/53/41/70/947534170.db2.gz OZGDBEBPRYXCIK-UHFFFAOYSA-N 0 3 350.470 3.719 20 30 FHEDHN C=CC[N@H+](CCCCC1(C#N)CCC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573341702 947534177 /nfs/dbraw/zinc/53/41/77/947534177.db2.gz OZGDBEBPRYXCIK-UHFFFAOYSA-N 0 3 350.470 3.719 20 30 FHEDHN C=CC[N@@H+](CCCCC1(C#N)CCC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573341702 947534184 /nfs/dbraw/zinc/53/41/84/947534184.db2.gz OZGDBEBPRYXCIK-UHFFFAOYSA-N 0 3 350.470 3.719 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)Oc2cccc(F)c2)cc1 ZINC000128527807 947675499 /nfs/dbraw/zinc/67/54/99/947675499.db2.gz SMQYGTPDRZDMLR-SCLBCKFNSA-N 0 3 354.381 3.503 20 30 FHEDHN CCCCCCCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000105314577 948002896 /nfs/dbraw/zinc/00/28/96/948002896.db2.gz WPWDLCKXWKRROG-UHFFFAOYSA-N 0 3 359.514 3.683 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2cc(C)c(Br)c(F)c2)CC1 ZINC000417549246 948176884 /nfs/dbraw/zinc/17/68/84/948176884.db2.gz JKGWGMZOMAVQLZ-UHFFFAOYSA-N 0 3 370.266 3.669 20 30 FHEDHN CC(C)(C#N)c1ccccc1CN(Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000585718624 948234578 /nfs/dbraw/zinc/23/45/78/948234578.db2.gz PANUJBLBDWWELZ-QHCPKHFHSA-N 0 3 364.489 3.641 20 30 FHEDHN C[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000571479967 948625539 /nfs/dbraw/zinc/62/55/39/948625539.db2.gz VNUZPGQKQMLHOR-HNNXBMFYSA-N 0 3 361.420 3.818 20 30 FHEDHN N#CCCSc1ccccc1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000601963054 567888068 /nfs/dbraw/zinc/88/80/68/567888068.db2.gz BSJJKINQMZISCZ-OAQYLSRUSA-N 0 3 367.518 3.741 20 30 FHEDHN Cc1cc(Cl)ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000481464026 567966346 /nfs/dbraw/zinc/96/63/46/567966346.db2.gz LIUXLDPDNGCQEV-UHFFFAOYSA-N 0 3 355.869 3.724 20 30 FHEDHN N#CCC[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602583677 567994015 /nfs/dbraw/zinc/99/40/15/567994015.db2.gz TWYBMBHFQDPGMQ-IBGZPJMESA-N 0 3 365.437 3.593 20 30 FHEDHN C[C@H](CCC#N)CN[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000602587438 567994450 /nfs/dbraw/zinc/99/44/50/567994450.db2.gz GTQNOLMLHSCZLJ-OXQOHEQNSA-N 0 3 356.491 3.709 20 30 FHEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(OC[C@H]2CCCO2)c1 ZINC000602567552 567995833 /nfs/dbraw/zinc/99/58/33/567995833.db2.gz FPFCXYVODGEDJO-UYAOXDASSA-N 0 3 372.509 3.741 20 30 FHEDHN Cc1c(Br)cccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602703807 568017724 /nfs/dbraw/zinc/01/77/24/568017724.db2.gz BYMRNZCSQADXIS-CYBMUJFWSA-N 0 3 351.288 3.946 20 30 FHEDHN Cc1ccc(C(=O)NC2CCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC000602731062 568024936 /nfs/dbraw/zinc/02/49/36/568024936.db2.gz KAPLKMHWAHZLRR-UHFFFAOYSA-N 0 3 373.500 3.945 20 30 FHEDHN N#CCC1(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)CC1 ZINC000602795004 568034983 /nfs/dbraw/zinc/03/49/83/568034983.db2.gz QNIQPFGSUZYPJY-UHFFFAOYSA-N 0 3 351.494 3.583 20 30 FHEDHN C=CCOc1ccc(CNCc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000067249253 568072210 /nfs/dbraw/zinc/07/22/10/568072210.db2.gz RKELKQBKXVVYLM-UHFFFAOYSA-N 0 3 360.457 3.751 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000481659610 568081478 /nfs/dbraw/zinc/08/14/78/568081478.db2.gz RIORQIAZXPDSMD-RDTXWAMCSA-N 0 3 352.413 3.654 20 30 FHEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc2cccc(OC)c2o1)C(C)C ZINC000603287891 568083023 /nfs/dbraw/zinc/08/30/23/568083023.db2.gz ROMYSVFISWHOBI-KRWDZBQOSA-N 0 3 356.466 3.870 20 30 FHEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000568636747 568103254 /nfs/dbraw/zinc/10/32/54/568103254.db2.gz AXZADQHLSGCRME-HXUWFJFHSA-N 0 3 364.449 3.563 20 30 FHEDHN C[C@H](c1cccc(Cl)c1)N(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603843041 568155353 /nfs/dbraw/zinc/15/53/53/568155353.db2.gz RKGKYHQVSMBFRL-DNVCBOLYSA-N 0 3 358.869 3.839 20 30 FHEDHN CS(=O)(=O)Cc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481915889 568182418 /nfs/dbraw/zinc/18/24/18/568182418.db2.gz FSNXOTDWAXPJNL-OAQYLSRUSA-N 0 3 368.502 3.660 20 30 FHEDHN CC[C@@H](C)N[C@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccco1 ZINC000569040839 568278303 /nfs/dbraw/zinc/27/83/03/568278303.db2.gz JYGJSCDBAPCAAE-CRAIPNDOSA-N 0 3 371.506 3.630 20 30 FHEDHN CC[C@H](C)N[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccco1 ZINC000569040842 568278331 /nfs/dbraw/zinc/27/83/31/568278331.db2.gz JYGJSCDBAPCAAE-YJBOKZPZSA-N 0 3 371.506 3.630 20 30 FHEDHN Cc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)cc1C ZINC000604436923 568293087 /nfs/dbraw/zinc/29/30/87/568293087.db2.gz VELHNMJMEAINSN-FYYLOGMGSA-N 0 3 364.489 3.946 20 30 FHEDHN N#CCN1CCC(Nc2ccnc3ccc(Oc4ccccc4)cc32)CC1 ZINC000617950178 568309765 /nfs/dbraw/zinc/30/97/65/568309765.db2.gz IYCLXLJHKFHZHI-UHFFFAOYSA-N 0 3 358.445 3.849 20 30 FHEDHN N#Cc1cc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)ccc1F ZINC000225537044 571161207 /nfs/dbraw/zinc/16/12/07/571161207.db2.gz VPHQWDDJRXMPHU-LBPRGKRZSA-N 0 3 352.335 3.819 20 30 FHEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000820092174 607059716 /nfs/dbraw/zinc/05/97/16/607059716.db2.gz IIYBNICYPKUHDL-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000820092174 607059718 /nfs/dbraw/zinc/05/97/18/607059718.db2.gz IIYBNICYPKUHDL-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820092174 607059720 /nfs/dbraw/zinc/05/97/20/607059720.db2.gz IIYBNICYPKUHDL-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820092174 607059722 /nfs/dbraw/zinc/05/97/22/607059722.db2.gz IIYBNICYPKUHDL-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000178770508 937099482 /nfs/dbraw/zinc/09/94/82/937099482.db2.gz DHPXAIKNYVBILG-SFHVURJKSA-N 0 3 351.425 3.857 20 30 FHEDHN CN(C)C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000577522090 927132098 /nfs/dbraw/zinc/13/20/98/927132098.db2.gz WDKKFIWDBGPEMY-QGZVFWFLSA-N 0 3 360.820 3.775 20 30 FHEDHN C=CCN1CC[C@@H](N(Cc2cccs2)C2Cc3ccccc3C2)C1=O ZINC000579724288 927190634 /nfs/dbraw/zinc/19/06/34/927190634.db2.gz KFRBIRQCYFBARG-HXUWFJFHSA-N 0 3 352.503 3.504 20 30 FHEDHN CCN(Cc1cccc(C(=O)OC)c1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000535962186 937242602 /nfs/dbraw/zinc/24/26/02/937242602.db2.gz BURQGZZJCWUUPQ-MRXNPFEDSA-N 0 3 366.461 3.807 20 30 FHEDHN C[C@@H](O)CN(Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000583222040 937250333 /nfs/dbraw/zinc/25/03/33/937250333.db2.gz VJCXRYVBJNFDKB-CYBMUJFWSA-N 0 3 351.288 3.836 20 30 FHEDHN N#Cc1cccc(CCCN2CCc3ncc(Br)cc3C2)c1 ZINC001208853496 928781200 /nfs/dbraw/zinc/78/12/00/928781200.db2.gz OFTMQWSDRWQAPT-UHFFFAOYSA-N 0 3 356.267 3.707 20 30 FHEDHN C[C@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000187212556 929555590 /nfs/dbraw/zinc/55/55/90/929555590.db2.gz ZFTJKUHRBCSWFH-HRAATJIYSA-N 0 3 367.518 3.599 20 30 FHEDHN CCOc1c(OC)cc(CN[C@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000579291922 930050104 /nfs/dbraw/zinc/05/01/04/930050104.db2.gz NYUQQBWGUDTKNN-SFHVURJKSA-N 0 3 352.434 3.751 20 30 FHEDHN Cc1cc(F)ccc1N1CCC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1=O ZINC000610346468 930056603 /nfs/dbraw/zinc/05/66/03/930056603.db2.gz VKQXFDKWTONACB-DNVCBOLYSA-N 0 3 351.425 3.852 20 30 FHEDHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cc(C#N)cs1 ZINC000177694345 930166236 /nfs/dbraw/zinc/16/62/36/930166236.db2.gz CKVDIYVJULJKJW-OAHLLOKOSA-N 0 3 368.506 3.727 20 30 FHEDHN Cc1ccc([C@@H]2C[C@H](C)CCN2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000610372057 930178292 /nfs/dbraw/zinc/17/82/92/930178292.db2.gz XENBZRZMPQWTKP-PBEJRMEISA-N 0 3 368.477 3.867 20 30 FHEDHN C#CCN1CCC(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000050025686 930358849 /nfs/dbraw/zinc/35/88/49/930358849.db2.gz WCSNBSPSSPRGIE-UHFFFAOYSA-N 0 3 366.436 3.579 20 30 FHEDHN O=C(C[C@H]1CCCN(CC#Cc2ccccc2)C1)NCc1ccc(F)cc1 ZINC000580308534 930467294 /nfs/dbraw/zinc/46/72/94/930467294.db2.gz JZQQKUCXVPMZMQ-OAQYLSRUSA-N 0 3 364.464 3.596 20 30 FHEDHN C[C@H](NC(=O)N(CCN(C)C)CC1CCCCC1)c1cccc(C#N)c1 ZINC000074918104 930592090 /nfs/dbraw/zinc/59/20/90/930592090.db2.gz HZXQBATTWHPHPX-KRWDZBQOSA-N 0 3 356.514 3.773 20 30 FHEDHN CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1CCCN(C)C1 ZINC000175839078 931089638 /nfs/dbraw/zinc/08/96/38/931089638.db2.gz NDEHTQWQCAXSEV-SFHVURJKSA-N 0 3 365.502 3.876 20 30 FHEDHN C[C@@H]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000610476895 931556568 /nfs/dbraw/zinc/55/65/68/931556568.db2.gz RIQLSHZQUMXVLU-BUVFEPMLSA-N 0 3 368.452 3.715 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CSc1ccccc1 ZINC000255277544 931603887 /nfs/dbraw/zinc/60/38/87/931603887.db2.gz FWCKOXFNXSZJPP-SSCKCOOKSA-N 0 3 352.415 3.649 20 30 FHEDHN CC(C)CCSCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000121350081 932036874 /nfs/dbraw/zinc/03/68/74/932036874.db2.gz KCCGGVZGRBHOSI-GFCCVEGCSA-N 0 3 356.850 3.906 20 30 FHEDHN CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C1CC1)C1CC1 ZINC000050989476 932074978 /nfs/dbraw/zinc/07/49/78/932074978.db2.gz CRRZMZPVVHAXJV-UHFFFAOYSA-N 0 3 357.523 3.948 20 30 FHEDHN COCCOc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430614100 932284102 /nfs/dbraw/zinc/28/41/02/932284102.db2.gz YCUOOHCMFCXHKR-OAHLLOKOSA-N 0 3 358.463 3.956 20 30 FHEDHN CC(C)(C#N)C(=O)N1CCC2(CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001143399574 932778037 /nfs/dbraw/zinc/77/80/37/932778037.db2.gz SRSMENGHOJJUID-UHFFFAOYSA-N 0 3 373.500 3.860 20 30 FHEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000510606244 933271168 /nfs/dbraw/zinc/27/11/68/933271168.db2.gz OVUNUTIICKAYGP-UHFFFAOYSA-N 0 3 371.529 3.845 20 30 FHEDHN C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)CN1Cc1ccccc1 ZINC000610714392 933891312 /nfs/dbraw/zinc/89/13/12/933891312.db2.gz MQKONVMEDUZDEO-YLJYHZDGSA-N 0 3 372.472 3.558 20 30 FHEDHN CN(Cc1cc(C#N)cs1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000891895105 933921665 /nfs/dbraw/zinc/92/16/65/933921665.db2.gz BRCKUPIUTZWYLM-IBGZPJMESA-N 0 3 368.506 3.598 20 30 FHEDHN C=CCc1cc(CN2CCC[C@H](C(=O)N[C@H](C)CCC)C2)cc(OC)c1O ZINC000092730714 934150514 /nfs/dbraw/zinc/15/05/14/934150514.db2.gz UVRINHYGTKSHCU-APWZRJJASA-N 0 3 374.525 3.646 20 30 FHEDHN C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)N1[C@H](C)CC[C@@H]1C ZINC000413421427 934597647 /nfs/dbraw/zinc/59/76/47/934597647.db2.gz WZAKMIUAWIYSQK-IATRGZMQSA-N 0 3 353.388 3.648 20 30 FHEDHN C=CCN1CCC(NC(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)CC1 ZINC000458330437 934712650 /nfs/dbraw/zinc/71/26/50/934712650.db2.gz GRRFMUVRLXIYDM-UHFFFAOYSA-N 0 3 359.489 3.586 20 30 FHEDHN C#CCOc1ccc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)cc1 ZINC000236808004 934772662 /nfs/dbraw/zinc/77/26/62/934772662.db2.gz XRMMQYIPCXBMNQ-UHFFFAOYSA-N 0 3 351.446 3.944 20 30 FHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCOc2ccc(F)cc2F)c1 ZINC000119594468 934908970 /nfs/dbraw/zinc/90/89/70/934908970.db2.gz DSSZTULGDGIIQZ-MRXNPFEDSA-N 0 3 372.371 3.780 20 30 FHEDHN CC(C)C[C@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001167548570 935280227 /nfs/dbraw/zinc/28/02/27/935280227.db2.gz BMYDXAJRIFEQSO-QGZVFWFLSA-N 0 3 366.427 3.541 20 30 FHEDHN COc1cc(CN(C)CCOc2cccc(C#N)c2)ccc1OC(F)F ZINC000051472690 935337648 /nfs/dbraw/zinc/33/76/48/935337648.db2.gz MBPKJUODLCBWSI-UHFFFAOYSA-N 0 3 362.376 3.679 20 30 FHEDHN N#Cc1ccc(OC[C@H](O)CNC(c2ccccc2)c2ccccc2)cc1 ZINC000023387266 935581270 /nfs/dbraw/zinc/58/12/70/935581270.db2.gz AYLGKMWSJSDDOD-OAQYLSRUSA-N 0 3 358.441 3.677 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000178569911 935587512 /nfs/dbraw/zinc/58/75/12/935587512.db2.gz UFWTVVTZIQXTSJ-KRWDZBQOSA-N 0 3 354.479 3.887 20 30 FHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCOc2ccc(F)cc2)c1 ZINC000127731116 935761915 /nfs/dbraw/zinc/76/19/15/935761915.db2.gz OMOWWYJUTZUANZ-SFHVURJKSA-N 0 3 354.381 3.641 20 30 FHEDHN COc1ccc(CN(C)CCOc2cccc(C#N)c2)cc1OC(F)F ZINC000051709638 935767192 /nfs/dbraw/zinc/76/71/92/935767192.db2.gz IAKAMBVMDVDLRN-UHFFFAOYSA-N 0 3 362.376 3.679 20 30 FHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCOCCc2ccccc2)c1 ZINC000127802194 935808066 /nfs/dbraw/zinc/80/80/66/935808066.db2.gz MRIMURSDJZYKPS-FQEVSTJZSA-N 0 3 364.445 3.682 20 30 FHEDHN C=CC[C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1 ZINC000427165960 945134635 /nfs/dbraw/zinc/13/46/35/945134635.db2.gz YXBBXLQCQPXCAI-JOCHJYFZSA-N 0 3 364.489 3.942 20 30 FHEDHN N#CCC[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000438854218 945142197 /nfs/dbraw/zinc/14/21/97/945142197.db2.gz RDCWPLBBELDEJS-SFTDATJTSA-N 0 3 362.477 3.605 20 30 FHEDHN N#CC(C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 ZINC000102122288 936083679 /nfs/dbraw/zinc/08/36/79/936083679.db2.gz KYQNJWVXVATZSS-ZDUSSCGKSA-N 0 3 353.249 3.694 20 30 FHEDHN C[C@@H](N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000093918846 938932028 /nfs/dbraw/zinc/93/20/28/938932028.db2.gz CHUYWGJXZCIKHZ-HZPDHXFCSA-N 0 3 353.441 3.904 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCc2sccc2C1=O ZINC000892419230 939015857 /nfs/dbraw/zinc/01/58/57/939015857.db2.gz AGNRPAKYADICTB-JSGCOSHPSA-N 0 3 363.442 3.646 20 30 FHEDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000472357586 939048128 /nfs/dbraw/zinc/04/81/28/939048128.db2.gz BOYIYUXMEHKDDM-TZIWHRDSSA-N 0 3 361.489 3.886 20 30 FHEDHN N#CC(C(=O)C[C@H]1CCC2(CCOCC2)CO1)c1ccc2ccccc2n1 ZINC000892428440 939081085 /nfs/dbraw/zinc/08/10/85/939081085.db2.gz ZWKIEIGSEOXLAA-QZTJIDSGSA-N 0 3 364.445 3.777 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccc(Cl)s1 ZINC000255689632 939113848 /nfs/dbraw/zinc/11/38/48/939113848.db2.gz FZMYUTBFLPOMSU-NTMALXAHSA-N 0 3 373.909 3.877 20 30 FHEDHN C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cccc(C#N)c1 ZINC000074917198 939183949 /nfs/dbraw/zinc/18/39/49/939183949.db2.gz SJKFYPQPTWKICM-MRXNPFEDSA-N 0 3 366.465 3.518 20 30 FHEDHN Cc1ccc2oc(C(=O)C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2n1 ZINC000179617188 939896526 /nfs/dbraw/zinc/89/65/26/939896526.db2.gz YNKDZZCESHQFSS-NSHDSACASA-N 0 3 371.755 3.890 20 30 FHEDHN C=CCOc1ccc(CN[C@@H]2CCN(C(C)=O)Cc3ccccc32)cc1 ZINC000375863783 939986360 /nfs/dbraw/zinc/98/63/60/939986360.db2.gz YHJLDSNIAOJTJE-JOCHJYFZSA-N 0 3 350.462 3.835 20 30 FHEDHN N#Cc1ccccc1Cn1cccc1CN1CCC[C@H](c2ccncn2)C1 ZINC000364850795 940012839 /nfs/dbraw/zinc/01/28/39/940012839.db2.gz VLRHTCNUOBRTTL-FQEVSTJZSA-N 0 3 357.461 3.578 20 30 FHEDHN C=CCSCCN[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185968547 940062631 /nfs/dbraw/zinc/06/26/31/940062631.db2.gz RZVXZXPXTJLRPD-ROUUACIJSA-N 0 3 353.553 3.589 20 30 FHEDHN CCCOc1cccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065930429 940077884 /nfs/dbraw/zinc/07/78/84/940077884.db2.gz OOXFMJUXYOPHHZ-UHFFFAOYSA-N 0 3 365.477 3.551 20 30 FHEDHN CCc1sc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1C ZINC000065931039 940079276 /nfs/dbraw/zinc/07/92/76/940079276.db2.gz XJKUDTWUHLAWSZ-UHFFFAOYSA-N 0 3 355.507 3.695 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2s1 ZINC000065931098 940079286 /nfs/dbraw/zinc/07/92/86/940079286.db2.gz WNJYSAFFELZYQW-UHFFFAOYSA-N 0 3 363.486 3.977 20 30 FHEDHN Cc1nc(C(C)C)sc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930498 940079377 /nfs/dbraw/zinc/07/93/77/940079377.db2.gz GQGDPNPAEJHRKV-UHFFFAOYSA-N 0 3 370.522 3.651 20 30 FHEDHN CC(C)(C)OC(=O)N[C@H](CNCc1cc(C#N)cs1)c1ccccc1 ZINC000177706805 940372208 /nfs/dbraw/zinc/37/22/08/940372208.db2.gz GDQNFXZTRRIWTO-QGZVFWFLSA-N 0 3 357.479 3.975 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000511444228 940477873 /nfs/dbraw/zinc/47/78/73/940477873.db2.gz KOSJNRXQUMMFQN-IBGZPJMESA-N 0 3 365.880 3.571 20 30 FHEDHN Cc1c2occ(CC(=O)C(C#N)C(=O)NC3CCCC3)c2ccc1Cl ZINC000892530217 940478108 /nfs/dbraw/zinc/47/81/08/940478108.db2.gz KWGSXVWOGLDRDF-OAHLLOKOSA-N 0 3 358.825 3.705 20 30 FHEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000066510516 940594506 /nfs/dbraw/zinc/59/45/06/940594506.db2.gz QXIDUXOPIFKCSE-BLLLJJGKSA-N 0 3 366.383 3.967 20 30 FHEDHN CC(C)(C)CC(=O)NCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000066510946 940594938 /nfs/dbraw/zinc/59/49/38/940594938.db2.gz MSLDYUCWSWYSLW-LLVKDONJSA-N 0 3 363.870 3.678 20 30 FHEDHN C[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000376282616 940693771 /nfs/dbraw/zinc/69/37/71/940693771.db2.gz RGWLBDZQEPUEMM-CQSZACIVSA-N 0 3 360.417 3.538 20 30 FHEDHN N#CC(C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1 ZINC000124905183 945341309 /nfs/dbraw/zinc/34/13/09/945341309.db2.gz IRRYTWXAYQDBBR-ZDUSSCGKSA-N 0 3 353.249 3.647 20 30 FHEDHN CC[C@H](c1ccncc1)N(C)CC#CCN(C)[C@@H](CC)c1ccncc1 ZINC000472565991 940833069 /nfs/dbraw/zinc/83/30/69/940833069.db2.gz CNIOMZXABPAWIM-SZPZYZBQSA-N 0 3 350.510 3.946 20 30 FHEDHN CN(C)c1cccc(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180245355 940875098 /nfs/dbraw/zinc/87/50/98/940875098.db2.gz BLQXOCZHBKRULI-UHFFFAOYSA-N 0 3 359.477 3.657 20 30 FHEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(C#N)cn3C)n2)cc1 ZINC000176112724 940986634 /nfs/dbraw/zinc/98/66/34/940986634.db2.gz DOBSZEVEDNCNLR-HNNXBMFYSA-N 0 3 362.414 3.519 20 30 FHEDHN C=CCN(Cc1ccccc1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659030512 941031456 /nfs/dbraw/zinc/03/14/56/941031456.db2.gz HUBQCSJLJGCFOT-FQEVSTJZSA-N 0 3 351.450 3.568 20 30 FHEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(CC1CC1)CC1CC1 ZINC000115562680 941137836 /nfs/dbraw/zinc/13/78/36/941137836.db2.gz CKJHRKAVZNMZST-HNNXBMFYSA-N 0 3 357.523 3.999 20 30 FHEDHN Cc1ccccc1CN1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000376992405 941489084 /nfs/dbraw/zinc/48/90/84/941489084.db2.gz HYLMWALOEHTGIB-UHFFFAOYSA-N 0 3 356.514 3.542 20 30 FHEDHN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C12CCCN1CCC2 ZINC000414878864 941496883 /nfs/dbraw/zinc/49/68/83/941496883.db2.gz HUOBOLMOURKJBX-UHFFFAOYSA-N 0 3 362.433 3.621 20 30 FHEDHN N#CCOc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000729267092 941705306 /nfs/dbraw/zinc/70/53/06/941705306.db2.gz JCVZYGSKHSPCCC-LJQANCHMSA-N 0 3 350.418 3.697 20 30 FHEDHN C=CCCc1ccccc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000614478592 941773471 /nfs/dbraw/zinc/77/34/71/941773471.db2.gz BMKICDNKLCJKDS-CABCVRRESA-N 0 3 357.372 3.728 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CCCCC[C@H]2c2ccncc2)CC1 ZINC000377569462 941815964 /nfs/dbraw/zinc/81/59/64/941815964.db2.gz WANUYKKJJQUOCS-FQEVSTJZSA-N 0 3 356.514 3.749 20 30 FHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(n2cc(Br)cn2)CC1 ZINC000377727393 941938528 /nfs/dbraw/zinc/93/85/28/941938528.db2.gz ZWMAHECXAIDYEX-CYBMUJFWSA-N 0 3 359.271 3.915 20 30 FHEDHN CCOc1c(OC)cc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1OC ZINC000728711849 941991776 /nfs/dbraw/zinc/99/17/76/941991776.db2.gz NGEMULJVDIOZGF-HNNXBMFYSA-N 0 3 370.449 3.683 20 30 FHEDHN CN(Cc1ccc(C#N)s1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377927314 942072137 /nfs/dbraw/zinc/07/21/37/942072137.db2.gz ZZAMDFPTCVADPL-UHFFFAOYSA-N 0 3 368.506 3.996 20 30 FHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000179752986 942279635 /nfs/dbraw/zinc/27/96/35/942279635.db2.gz OICZSZCSNPJJHX-SFHVURJKSA-N 0 3 369.509 3.592 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C(F)(F)F)cc2C)CC1 ZINC000188066419 942324901 /nfs/dbraw/zinc/32/49/01/942324901.db2.gz UKCPBMXAKPWKPC-UHFFFAOYSA-N 0 3 369.431 3.854 20 30 FHEDHN C=CCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1cccs1 ZINC000501463928 942487488 /nfs/dbraw/zinc/48/74/88/942487488.db2.gz XBRIACNEJMCMRP-UHFFFAOYSA-N 0 3 354.475 3.813 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc2ccoc21 ZINC001125870294 942488378 /nfs/dbraw/zinc/48/83/78/942488378.db2.gz FCYGFZSGFZFEPR-UHFFFAOYSA-N 0 3 365.408 3.648 20 30 FHEDHN Cc1ccc(C)c(OC[C@H](O)CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502530315 942503990 /nfs/dbraw/zinc/50/39/90/942503990.db2.gz QCKRTFXIWGKTCD-JOCHJYFZSA-N 0 3 362.473 3.704 20 30 FHEDHN C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccc(C#N)s1 ZINC000421355466 942505238 /nfs/dbraw/zinc/50/52/38/942505238.db2.gz ZKAZIMCFFZFIKX-CYBMUJFWSA-N 0 3 361.898 3.800 20 30 FHEDHN COc1cccc(NC(=O)CCN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502535347 942512383 /nfs/dbraw/zinc/51/23/83/942512383.db2.gz YATYSXRLTBNXDM-UHFFFAOYSA-N 0 3 361.445 3.685 20 30 FHEDHN N#Cc1ccc(OCCN[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000501520455 942522334 /nfs/dbraw/zinc/52/23/34/942522334.db2.gz DXNLRZLLTUUNSR-KRWDZBQOSA-N 0 3 373.250 3.813 20 30 FHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H](C)[C@H]2CCCO2)c1C#N ZINC000183160826 942837044 /nfs/dbraw/zinc/83/70/44/942837044.db2.gz CTUIQNNQVMXOJR-DNVCBOLYSA-N 0 3 372.513 3.577 20 30 FHEDHN Cc1sc(NC(=O)CN[C@H](c2ccccc2)[C@@H]2CCOC2)c(C#N)c1C ZINC000378504944 942839221 /nfs/dbraw/zinc/83/92/21/942839221.db2.gz CIOIMTNCHBMFLM-VQIMIIECSA-N 0 3 369.490 3.543 20 30 FHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(OCc2nccn2C)cc1 ZINC000421866704 942854203 /nfs/dbraw/zinc/85/42/03/942854203.db2.gz BLHRANROHFDBCK-AWEZNQCLSA-N 0 3 352.463 3.783 20 30 FHEDHN N#Cc1cccc([N+](=O)[O-])c1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000425252288 943055272 /nfs/dbraw/zinc/05/52/72/943055272.db2.gz BALIHBQCFPULNL-UHFFFAOYSA-N 0 3 368.359 3.684 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccsc1 ZINC000435051014 943122640 /nfs/dbraw/zinc/12/26/40/943122640.db2.gz XSFZUPTWWYEPOR-IBGZPJMESA-N 0 3 367.518 3.851 20 30 FHEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1c1ccc(Cl)cc1 ZINC000430127359 943221914 /nfs/dbraw/zinc/22/19/14/943221914.db2.gz PFNOSYFAUTXOHA-DLBZAZTESA-N 0 3 360.866 3.662 20 30 FHEDHN N#Cc1ccc(Cl)c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000503688053 943332402 /nfs/dbraw/zinc/33/24/02/943332402.db2.gz JXALDNCQESQUBC-LJQANCHMSA-N 0 3 353.853 3.779 20 30 FHEDHN CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000503765063 943363025 /nfs/dbraw/zinc/36/30/25/943363025.db2.gz MIOVRJUNJYGIJF-RTWAWAEBSA-N 0 3 370.541 3.846 20 30 FHEDHN CCOC(=O)COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425365216 943373112 /nfs/dbraw/zinc/37/31/12/943373112.db2.gz JOOATKZQQPKBPI-INIZCTEOSA-N 0 3 352.434 3.693 20 30 FHEDHN C=CC[C@@H](C)C(=O)N1CCC[C@@]2(CCCN(Cc3scnc3C)C2)C1 ZINC001269961529 943415124 /nfs/dbraw/zinc/41/51/24/943415124.db2.gz ZHYRRXBLXKZVBU-OXQOHEQNSA-N 0 3 361.555 3.868 20 30 FHEDHN COC(=O)COc1ccccc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417374286 943544195 /nfs/dbraw/zinc/54/41/95/943544195.db2.gz XWWHJCHRFJIKLH-MGPUTAFESA-N 0 3 364.445 3.838 20 30 FHEDHN CCCc1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)c2cccs2)cc1 ZINC000424071044 943708189 /nfs/dbraw/zinc/70/81/89/943708189.db2.gz YYBAFXUXHQQQOG-IEBWSBKVSA-N 0 3 355.507 3.927 20 30 FHEDHN COc1ccc(Sc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)cc1 ZINC000424110167 943735416 /nfs/dbraw/zinc/73/54/16/943735416.db2.gz CBOHHCDGQNFWBF-SFHVURJKSA-N 0 3 355.463 3.806 20 30 FHEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000424111349 943736062 /nfs/dbraw/zinc/73/60/62/943736062.db2.gz AOCUUCFVOILRGB-YYWHXJBOSA-N 0 3 366.461 3.556 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 ZINC000424110651 943737149 /nfs/dbraw/zinc/73/71/49/943737149.db2.gz DDDOYHAWKUHXQV-HNNXBMFYSA-N 0 3 372.469 3.710 20 30 FHEDHN CC(C)(C)[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424116650 943740334 /nfs/dbraw/zinc/74/03/34/943740334.db2.gz XRUQETVZHMCIBV-HUUCEWRRSA-N 0 3 355.404 3.930 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000424154603 943755366 /nfs/dbraw/zinc/75/53/66/943755366.db2.gz ONELZBWDNWQTQN-PMACEKPBSA-N 0 3 367.880 3.987 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1NCc1ccc(Cl)cc1 ZINC000424169114 943772572 /nfs/dbraw/zinc/77/25/72/943772572.db2.gz JFHPLGIVFDATMR-INIZCTEOSA-N 0 3 356.857 3.912 20 30 FHEDHN N#Cc1ccc(NC(=O)CCN2CCS[C@H]3CCCC[C@H]32)cc1Cl ZINC000437504572 943867941 /nfs/dbraw/zinc/86/79/41/943867941.db2.gz MBPGRSPBRWONCH-SJORKVTESA-N 0 3 363.914 3.900 20 30 FHEDHN CC1(C)CC[C@@H]2C[C@H](NCc3cnc4c(C#N)cnn4c3)c3cccc1c32 ZINC000516971267 943872512 /nfs/dbraw/zinc/87/25/12/943872512.db2.gz QWYSRRVHZLSHGH-BEFAXECRSA-N 0 3 357.461 3.991 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)CC1 ZINC000516986972 943891879 /nfs/dbraw/zinc/89/18/79/943891879.db2.gz WRGWZFOOXUMISN-FQEVSTJZSA-N 0 3 355.526 3.610 20 30 FHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000517030513 943927981 /nfs/dbraw/zinc/92/79/81/943927981.db2.gz XAJRCQJBVLEKDP-KRWDZBQOSA-N 0 3 360.461 3.916 20 30 FHEDHN C=C(C)C(C)(C)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000424584655 943979433 /nfs/dbraw/zinc/97/94/33/943979433.db2.gz PRJCCPFDNFNLAW-UHFFFAOYSA-N 0 3 357.542 3.616 20 30 FHEDHN C[C@@H]1CN(c2ccccc2CN[C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000418139092 944198804 /nfs/dbraw/zinc/19/88/04/944198804.db2.gz DIZWTENHFGQXSI-VGOFRKELSA-N 0 3 361.489 3.951 20 30 FHEDHN C[C@H]1CN(c2ccccc2CN[C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000418139090 944198844 /nfs/dbraw/zinc/19/88/44/944198844.db2.gz DIZWTENHFGQXSI-HTAPYJJXSA-N 0 3 361.489 3.951 20 30 FHEDHN C=CCCCCCCCCCN1CC2(C[C@@H]2C(=O)N(C)CCOC)C1 ZINC001280191222 944225979 /nfs/dbraw/zinc/22/59/79/944225979.db2.gz MFVMTCLVZBUILB-LJQANCHMSA-N 0 3 350.547 3.720 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000123848157 944444477 /nfs/dbraw/zinc/44/44/77/944444477.db2.gz FKLKWXGVDWJPIK-AWEZNQCLSA-N 0 3 367.792 3.572 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000518510493 944455215 /nfs/dbraw/zinc/45/52/15/944455215.db2.gz RSFHMOMSBSCHIP-QGZVFWFLSA-N 0 3 363.502 3.702 20 30 FHEDHN CCN1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000517681749 944509911 /nfs/dbraw/zinc/50/99/11/944509911.db2.gz SWAKPXGZSYDRTQ-UHFFFAOYSA-N 0 3 363.461 3.713 20 30 FHEDHN COc1ccccc1/C=C\CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506259958 944710143 /nfs/dbraw/zinc/71/01/43/944710143.db2.gz SGIGCOHKQDTCMO-DAXSKMNVSA-N 0 3 361.489 3.788 20 30 FHEDHN C=C(C)COc1cc(CN[C@H]2C[C@@H](CO)c3ccccc32)ccc1OC ZINC000364444093 944720542 /nfs/dbraw/zinc/72/05/42/944720542.db2.gz UWYHINOFPSIGHR-PXNSSMCTSA-N 0 3 353.462 3.961 20 30 FHEDHN CCn1c(CNCCSCc2ccccc2C#N)nc2ccccc21 ZINC000054172819 944764219 /nfs/dbraw/zinc/76/42/19/944764219.db2.gz OVPPLULBGBVLKY-UHFFFAOYSA-N 0 3 350.491 3.951 20 30 FHEDHN CCCCCCCCC(=O)N1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001270164042 944955416 /nfs/dbraw/zinc/95/54/16/944955416.db2.gz NSRIZSOAWJQQRT-UHFFFAOYSA-N 0 3 360.546 3.558 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)CC1 ZINC000507174220 945023010 /nfs/dbraw/zinc/02/30/10/945023010.db2.gz CBWIJYMQFQZHEA-YWZLYKJASA-N 0 3 361.917 3.915 20 30 FHEDHN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000330142432 945375825 /nfs/dbraw/zinc/37/58/25/945375825.db2.gz YHINDXOJIXFQKO-MSOLQXFVSA-N 0 3 356.445 3.937 20 30 FHEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000440326973 945405434 /nfs/dbraw/zinc/40/54/34/945405434.db2.gz IDRQZTXZOWVQFI-HKUYNNGSSA-N 0 3 372.534 3.929 20 30 FHEDHN CC(C)(C)c1ccc(SCC(=O)C(C#N)C(=O)Nc2ccccn2)cc1 ZINC000125049561 945528099 /nfs/dbraw/zinc/52/80/99/945528099.db2.gz DZPDFLJNASFLJE-MRXNPFEDSA-N 0 3 367.474 3.819 20 30 FHEDHN Cc1ccc(SCCC(=O)C(C#N)C(=O)Nc2ccccn2)cc1C ZINC000125071629 945554133 /nfs/dbraw/zinc/55/41/33/945554133.db2.gz DQHOEYBSGOPTBD-MRXNPFEDSA-N 0 3 353.447 3.528 20 30 FHEDHN N#CC(C(=O)CCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccn1 ZINC000125208604 945669656 /nfs/dbraw/zinc/66/96/56/945669656.db2.gz WIYNFSCSHQOPPA-CYBMUJFWSA-N 0 3 362.216 3.669 20 30 FHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(-c2ccc(OC)cc2OC)no1 ZINC000661116375 945748681 /nfs/dbraw/zinc/74/86/81/945748681.db2.gz JIQSEXPKWUVFCZ-WMLDXEAASA-N 0 3 357.454 3.978 20 30 FHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000661117877 945749823 /nfs/dbraw/zinc/74/98/23/945749823.db2.gz UTSWCYPCUZHMNK-WBVHZDCISA-N 0 3 372.538 3.745 20 30 FHEDHN CCN1CC[C@@H](NCc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519830793 945791855 /nfs/dbraw/zinc/79/18/55/945791855.db2.gz AQQOLDDNZGATKS-RTBURBONSA-N 0 3 358.848 3.671 20 30 FHEDHN CC(C)[C@](C)(C#N)NC(=O)CN(CCc1ccccc1F)C1CCCC1 ZINC000519904471 945889078 /nfs/dbraw/zinc/88/90/78/945889078.db2.gz MDVQHWIMDSNECX-NRFANRHFSA-N 0 3 359.489 3.667 20 30 FHEDHN C[C@@H]1CCN(C(=O)NCC2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC000440994963 946096920 /nfs/dbraw/zinc/09/69/20/946096920.db2.gz XUQRZQRUOJQMAL-XEVCZEQESA-N 0 3 368.525 3.622 20 30 FHEDHN CC(C)(C#N)c1ccccc1CN1CCN(CCc2cccs2)CC1 ZINC000487359026 946376192 /nfs/dbraw/zinc/37/61/92/946376192.db2.gz DDSIQJPEMWUURA-UHFFFAOYSA-N 0 3 353.535 3.910 20 30 FHEDHN N#CC1CCC(CNCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000441374771 946527335 /nfs/dbraw/zinc/52/73/35/946527335.db2.gz WTPSZOQVBUUMJN-UHFFFAOYSA-N 0 3 364.280 3.994 20 30 FHEDHN C#CCOc1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000783595463 946590517 /nfs/dbraw/zinc/59/05/17/946590517.db2.gz PZSKVCZXXHAERM-MRXNPFEDSA-N 0 3 363.383 3.751 20 30 FHEDHN C=CCn1c(C2CC2)nnc1N1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000508493944 946700186 /nfs/dbraw/zinc/70/01/86/946700186.db2.gz ZUSWZZZXZHWYJM-HXUWFJFHSA-N 0 3 365.525 3.832 20 30 FHEDHN N#CC(C(=O)CCOCc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000125585811 946832916 /nfs/dbraw/zinc/83/29/16/946832916.db2.gz FEUSUTNVRYZRSH-HNNXBMFYSA-N 0 3 374.799 3.733 20 30 FHEDHN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CCCN1C1CCCC1 ZINC000328692565 946990742 /nfs/dbraw/zinc/99/07/42/946990742.db2.gz JEAGQWPRIVMCIZ-SFHVURJKSA-N 0 3 366.469 3.670 20 30 FHEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1 ZINC000328823730 947039975 /nfs/dbraw/zinc/03/99/75/947039975.db2.gz IMMGQYQFHAJHQS-BPQIPLTHSA-N 0 3 363.465 3.918 20 30 FHEDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1nc2ccccc2s1 ZINC000328831933 947055285 /nfs/dbraw/zinc/05/52/85/947055285.db2.gz KOFVAPLIUSOHTP-WNMQOVRZSA-N 0 3 358.467 3.760 20 30 FHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000444745894 947182601 /nfs/dbraw/zinc/18/26/01/947182601.db2.gz UAXMZZNRLXTJNF-OGHNNQOOSA-N 0 3 366.303 3.543 20 30 FHEDHN C=CC[C@@H]1N(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CCCC1(C)C ZINC000444778112 947213688 /nfs/dbraw/zinc/21/36/88/947213688.db2.gz HNGCGNIIUZXJEC-CTNGQTDRSA-N 0 3 369.553 3.696 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000662086711 947224542 /nfs/dbraw/zinc/22/45/42/947224542.db2.gz WKLZJXLNMIEAIM-CEXWTWQISA-N 0 3 370.493 3.550 20 30 FHEDHN C=CC[C@@H]1N(CC(=O)Nc2cccc(N3CCCC3=O)c2)CCCC1(C)C ZINC000444788349 947229154 /nfs/dbraw/zinc/22/91/54/947229154.db2.gz UOJUBAMUKMTVJF-IBGZPJMESA-N 0 3 369.509 3.819 20 30 FHEDHN C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C1=CCN(C)CC1 ZINC000330780884 947271822 /nfs/dbraw/zinc/27/18/22/947271822.db2.gz FFXMREYQXAJVIX-CQSZACIVSA-N 0 3 361.534 3.912 20 30 FHEDHN C[C@@H]1CC[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000249119074 947321108 /nfs/dbraw/zinc/32/11/08/947321108.db2.gz WRFHYFOGAKDQML-XGRCMKMKSA-N 0 3 359.473 3.887 20 30 FHEDHN CC(=O)N1CC[C@H](N[C@H](C)c2cccc(C#N)c2)c2ccc(F)cc2C1 ZINC000184535215 947470262 /nfs/dbraw/zinc/47/02/62/947470262.db2.gz NHPMBQWAYQKISG-SZNDQCEHSA-N 0 3 351.425 3.841 20 30 FHEDHN CC(=O)N1CC[C@H](N[C@@H](C)c2cccc(C#N)c2)c2ccc(F)cc2C1 ZINC000184535200 947470427 /nfs/dbraw/zinc/47/04/27/947470427.db2.gz NHPMBQWAYQKISG-QKKBWIMNSA-N 0 3 351.425 3.841 20 30 FHEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cccc(F)c1OC)[C@@H]2CC ZINC001143525098 947863507 /nfs/dbraw/zinc/86/35/07/947863507.db2.gz YDRWYDJAIIZKMR-NQIIRXRSSA-N 0 3 360.473 3.756 20 30 FHEDHN C=CCC[C@H](C(=O)NC1CCN(CCOC(C)C)CC1)c1ccccc1 ZINC000190072074 947916296 /nfs/dbraw/zinc/91/62/96/947916296.db2.gz ATCRCCVIRAQAHA-NRFANRHFSA-N 0 3 358.526 3.742 20 30 FHEDHN C=CCC1(CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)CCCC1 ZINC000459047749 947998673 /nfs/dbraw/zinc/99/86/73/947998673.db2.gz CROHOTXSNBNXOC-HXUWFJFHSA-N 0 3 370.541 3.681 20 30 FHEDHN C=CCC1(CNC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCCC1 ZINC000459107734 948175689 /nfs/dbraw/zinc/17/56/89/948175689.db2.gz PYOVDNBFJUQUGY-PMACEKPBSA-N 0 3 370.541 3.852 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2cc(Br)c(C)cc2Cl)CC1 ZINC000839451911 948393467 /nfs/dbraw/zinc/39/34/67/948393467.db2.gz SEONGPSVFLELBE-UHFFFAOYSA-N 0 3 369.690 3.695 20 30 FHEDHN CC(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000436555484 567851451 /nfs/dbraw/zinc/85/14/51/567851451.db2.gz KTJNNNZIQPXRNK-UHFFFAOYSA-N 0 3 365.477 3.591 20 30 FHEDHN Cc1cccc(NC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1C ZINC000062368367 567950023 /nfs/dbraw/zinc/95/00/23/567950023.db2.gz TXMZKRLQYGRMBM-UHFFFAOYSA-N 0 3 350.466 3.771 20 30 FHEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000481460581 567961279 /nfs/dbraw/zinc/96/12/79/567961279.db2.gz SPBDNOVKXLURQT-VBKZILBWSA-N 0 3 371.868 3.906 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000602492139 567986284 /nfs/dbraw/zinc/98/62/84/567986284.db2.gz SDSPGHFZUQLOQI-SFHVURJKSA-N 0 3 373.566 3.789 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1cccc(C(F)(F)F)c1 ZINC000602522259 567987352 /nfs/dbraw/zinc/98/73/52/567987352.db2.gz UBZCJDHCDJAANO-AWEZNQCLSA-N 0 3 356.388 3.773 20 30 FHEDHN CC(C)CC(=O)Nc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602525838 567987783 /nfs/dbraw/zinc/98/77/83/567987783.db2.gz CVOQSDPJDKCCEU-QGZVFWFLSA-N 0 3 357.498 3.860 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602641434 568003127 /nfs/dbraw/zinc/00/31/27/568003127.db2.gz RKRFCORCWDNHDQ-LBPRGKRZSA-N 0 3 371.359 3.802 20 30 FHEDHN Cc1cc(Br)cc(C)c1NC(=O)CCCN[C@@H](C)CC#N ZINC000602868592 568008633 /nfs/dbraw/zinc/00/86/33/568008633.db2.gz JPSKFIIMINPYPH-ZDUSSCGKSA-N 0 3 352.276 3.676 20 30 FHEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1Br ZINC000602750119 568029721 /nfs/dbraw/zinc/02/97/21/568029721.db2.gz BNEINGLXVQQMIU-AWEZNQCLSA-N 0 3 351.288 3.946 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000481569839 568052192 /nfs/dbraw/zinc/05/21/92/568052192.db2.gz HMOAQAUDQXJXPU-DOTOQJQBSA-N 0 3 353.491 3.638 20 30 FHEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000568754161 568180209 /nfs/dbraw/zinc/18/02/09/568180209.db2.gz DUECMXJUQUDLQG-FPOVZHCZSA-N 0 3 368.502 3.505 20 30 FHEDHN N#CC1(NC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2)CCCCC1 ZINC000302594778 568233109 /nfs/dbraw/zinc/23/31/09/568233109.db2.gz QCFVPPLXTGHMCN-NRFANRHFSA-N 0 3 361.489 3.903 20 30 FHEDHN CC(C)N(Cc1cccc(F)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604416471 568274570 /nfs/dbraw/zinc/27/45/70/568274570.db2.gz SGZQMNNEIBKVSN-FQEVSTJZSA-N 0 3 356.441 3.542 20 30 FHEDHN COc1cccc(C[C@@H]2CCCN2CCC(=O)Nc2sccc2C#N)c1 ZINC000569025074 568275248 /nfs/dbraw/zinc/27/52/48/568275248.db2.gz PILQAYWOSQMNQJ-KRWDZBQOSA-N 0 3 369.490 3.664 20 30 FHEDHN CC(C)Oc1ccc(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1C#N ZINC000570027936 568441961 /nfs/dbraw/zinc/44/19/61/568441961.db2.gz VOAZJDKANIGUBW-MRXNPFEDSA-N 0 3 370.497 3.684 20 30 FHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CC(=O)N(c3ccc(Cl)c(F)c3)C1)CC2 ZINC000569974627 568445441 /nfs/dbraw/zinc/44/54/41/568445441.db2.gz VBVMTVPXKQQAGE-KUHUBIRLSA-N 0 3 369.827 3.733 20 30 FHEDHN CC(C)[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N1CCc2ccccc2C1 ZINC000583124184 937145718 /nfs/dbraw/zinc/14/57/18/937145718.db2.gz QUXAZGSJDUHBQP-NFBKMPQASA-N 0 3 365.521 3.660 20 30 FHEDHN CC(C)[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N1CCc2ccccc2C1 ZINC000583124186 937145928 /nfs/dbraw/zinc/14/59/28/937145928.db2.gz QUXAZGSJDUHBQP-OFNKIYASSA-N 0 3 365.521 3.660 20 30 FHEDHN CC(C)Oc1ccc([C@H](CNc2nccc(C#N)c2Cl)N(C)C)cc1 ZINC000583166273 937198160 /nfs/dbraw/zinc/19/81/60/937198160.db2.gz KVOXNMLWILNCCG-KRWDZBQOSA-N 0 3 358.873 3.531 20 30 FHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000579816901 927915385 /nfs/dbraw/zinc/91/53/85/927915385.db2.gz NNBWFSLGSYETRO-IFMALSPDSA-N 0 3 374.488 3.509 20 30 FHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C)CCC[C@@H]2C)cc1 ZINC000610215469 928190631 /nfs/dbraw/zinc/19/06/31/928190631.db2.gz XWOTXYBGJVLPBY-ROUUACIJSA-N 0 3 357.498 3.842 20 30 FHEDHN CCN(Cc1cccc(C(=O)OC)c1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000535962157 937242291 /nfs/dbraw/zinc/24/22/91/937242291.db2.gz BURQGZZJCWUUPQ-INIZCTEOSA-N 0 3 366.461 3.807 20 30 FHEDHN O=C1C=C2CN(Cc3cc(Cl)ccc3Br)CCC2S1 ZINC001137523837 929108381 /nfs/dbraw/zinc/10/83/81/929108381.db2.gz KMAXXSUCVHTKCT-CYBMUJFWSA-N 0 3 358.688 3.877 20 30 FHEDHN C=CCCCCN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OCC ZINC001209206904 929502258 /nfs/dbraw/zinc/50/22/58/929502258.db2.gz COFGYPBLUDBGBH-GOSISDBHSA-N 0 3 361.482 3.913 20 30 FHEDHN COc1ccc(CC[C@H]2CCCCN2Cc2ccc(C#N)cn2)cc1OC ZINC000583330465 937352505 /nfs/dbraw/zinc/35/25/05/937352505.db2.gz ZZSTZBVBFPIWCO-HXUWFJFHSA-N 0 3 365.477 3.958 20 30 FHEDHN N#Cc1ccc(C2(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2)cc1 ZINC000187304264 929766136 /nfs/dbraw/zinc/76/61/36/929766136.db2.gz KDJAOPXGSXMLFL-SFHVURJKSA-N 0 3 365.502 3.605 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000123487489 930021686 /nfs/dbraw/zinc/02/16/86/930021686.db2.gz YUJVWBCWXDLMLI-UHFFFAOYSA-N 0 3 365.315 3.836 20 30 FHEDHN C[C@H](NCc1cnc2ccc(Br)cn12)c1cccc(C#N)c1 ZINC000610344936 930045652 /nfs/dbraw/zinc/04/56/52/930045652.db2.gz NOOTXQSHBPTYGZ-LBPRGKRZSA-N 0 3 355.239 3.819 20 30 FHEDHN N#Cc1csc(CNCCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000177705661 930228789 /nfs/dbraw/zinc/22/87/89/930228789.db2.gz MNWISWPIMLKXKU-UHFFFAOYSA-N 0 3 361.776 3.856 20 30 FHEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000728302590 930947971 /nfs/dbraw/zinc/94/79/71/930947971.db2.gz VQBSBTDBIIQHMX-MRXNPFEDSA-N 0 3 363.461 3.739 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)c1ccsc1 ZINC000042346499 931535434 /nfs/dbraw/zinc/53/54/34/931535434.db2.gz RCYHSRMSFHBTKW-IBGZPJMESA-N 0 3 370.522 3.844 20 30 FHEDHN C=CCn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000581218862 931694267 /nfs/dbraw/zinc/69/42/67/931694267.db2.gz BIBCPYQMOPRAKM-UXHICEINSA-N 0 3 365.525 3.679 20 30 FHEDHN C=CCOc1ccc(CNc2ccc([C@@H]3CNCCO3)cc2)cc1OC ZINC000656791695 932422805 /nfs/dbraw/zinc/42/28/05/932422805.db2.gz JDQZODXIIKQBAJ-NRFANRHFSA-N 0 3 354.450 3.533 20 30 FHEDHN N#Cc1ccccc1CSCCNCc1cnn(-c2ccc(F)cc2)c1 ZINC000477308051 932463688 /nfs/dbraw/zinc/46/36/88/932463688.db2.gz MUIADFGUXUZLCR-UHFFFAOYSA-N 0 3 366.465 3.906 20 30 FHEDHN C=C(C)COc1cc(CN2CCC(C(=O)N(C)C(C)C)CC2)ccc1OC ZINC000091952887 933736784 /nfs/dbraw/zinc/73/67/84/933736784.db2.gz NLFNTNNRPTWALY-UHFFFAOYSA-N 0 3 374.525 3.729 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)NCC#Cc1cccc(F)c1)c1ccsc1 ZINC000510854389 933859206 /nfs/dbraw/zinc/85/92/06/933859206.db2.gz QAOZYGVHIDUPGV-IBGZPJMESA-N 0 3 373.497 3.621 20 30 FHEDHN C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610707810 933862954 /nfs/dbraw/zinc/86/29/54/933862954.db2.gz XLNNOLNKTQEXOE-LLGFUMIMSA-N 0 3 362.477 3.581 20 30 FHEDHN C[C@@H]1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)CN1Cc1ccccc1 ZINC000610714391 933891137 /nfs/dbraw/zinc/89/11/37/933891137.db2.gz MQKONVMEDUZDEO-XLIONFOSSA-N 0 3 372.472 3.558 20 30 FHEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000477872208 933903037 /nfs/dbraw/zinc/90/30/37/933903037.db2.gz GAWMZHVMUYKZPS-IRXDYDNUSA-N 0 3 350.409 3.939 20 30 FHEDHN Cc1ccc(C(=O)NC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000187665062 934133201 /nfs/dbraw/zinc/13/32/01/934133201.db2.gz KNNUERRVBXZNMI-HNNXBMFYSA-N 0 3 353.491 3.884 20 30 FHEDHN COc1cccc([C@@H](C/N=C/c2cccc(OC)c2O)N2CCCC2)c1 ZINC000022768846 934364479 /nfs/dbraw/zinc/36/44/79/934364479.db2.gz NNGYQPYHKBKHQU-VZMFNRANSA-N 0 3 354.450 3.665 20 30 FHEDHN Cc1cc(C(=O)NC2CCN([C@H](C)c3cccc(C#N)c3)CC2)c(C)o1 ZINC000187674138 934426210 /nfs/dbraw/zinc/42/62/10/934426210.db2.gz XKVZPRUMBWXPIS-OAHLLOKOSA-N 0 3 351.450 3.724 20 30 FHEDHN CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1ccnc(C#N)c1 ZINC000610992188 934734770 /nfs/dbraw/zinc/73/47/70/934734770.db2.gz JTVUOFFUBJLTTK-UHFFFAOYSA-N 0 3 363.440 3.557 20 30 FHEDHN C=CCN1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181696127 934800153 /nfs/dbraw/zinc/80/01/53/934800153.db2.gz WFJFUFBROVTCOO-UHFFFAOYSA-N 0 3 361.445 3.731 20 30 FHEDHN CCn1ccnc1C(C#N)C(=O)c1c(C)c(C)sc1Br ZINC001349701334 934840822 /nfs/dbraw/zinc/84/08/22/934840822.db2.gz DCQWSTRHHHSHLD-JTQLQIEISA-N 0 3 352.257 3.834 20 30 FHEDHN C=C(C)COc1cc(CNCc2ccc([S@](C)=O)cc2)ccc1OC ZINC000080343416 934861518 /nfs/dbraw/zinc/86/15/18/934861518.db2.gz HTCYJMDQSFWDEX-RUZDIDTESA-N 0 3 359.491 3.677 20 30 FHEDHN CCO[C@H]1C[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C12CCCCC2 ZINC000538736081 934899342 /nfs/dbraw/zinc/89/93/42/934899342.db2.gz YBWJABQSGNFLHC-OALUTQOASA-N 0 3 352.482 3.766 20 30 FHEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cncs1 ZINC000934196770 934980113 /nfs/dbraw/zinc/98/01/13/934980113.db2.gz DLNUSLGNGBCVJV-VXGBXAGGSA-N 0 3 374.535 3.880 20 30 FHEDHN C=CCc1ccc(OC[C@@H](O)CN(C)[C@@H](C)c2cccs2)c(OC)c1 ZINC000053429803 935064640 /nfs/dbraw/zinc/06/46/40/935064640.db2.gz MZEUDGOGPNTZEF-RDJZCZTQSA-N 0 3 361.507 3.918 20 30 FHEDHN N#CC(C(=O)C=Cc1nc2ccccc2s1)c1nnc2n1CCCCC2 ZINC000255472710 935104154 /nfs/dbraw/zinc/10/41/54/935104154.db2.gz VBIOWXRXOWHZLR-ASCRHOAZSA-N 0 3 363.446 3.504 20 30 FHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c2ccccc2n1 ZINC000072087282 935294041 /nfs/dbraw/zinc/29/40/41/935294041.db2.gz SVPYSWMSYSMVEN-UHFFFAOYSA-N 0 3 372.472 3.619 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(C[NH+]2CCCC2)cc1 ZINC000582188144 935386837 /nfs/dbraw/zinc/38/68/37/935386837.db2.gz MXNKXJWHHQHGBN-SFHVURJKSA-N 0 3 358.445 3.659 20 30 FHEDHN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000582188144 935386844 /nfs/dbraw/zinc/38/68/44/935386844.db2.gz MXNKXJWHHQHGBN-SFHVURJKSA-N 0 3 358.445 3.659 20 30 FHEDHN C[C@@H]1SCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H]1C ZINC000118416912 935423934 /nfs/dbraw/zinc/42/39/34/935423934.db2.gz QFMQEECWXNPRPK-STQMWFEESA-N 0 3 363.552 3.653 20 30 FHEDHN C[C@H]1SCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H]1C ZINC000118416919 935424110 /nfs/dbraw/zinc/42/41/10/935424110.db2.gz QFMQEECWXNPRPK-QWHCGFSZSA-N 0 3 363.552 3.653 20 30 FHEDHN CCN1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000091174445 935452447 /nfs/dbraw/zinc/45/24/47/935452447.db2.gz FYTUZNKQKANNQQ-UHFFFAOYSA-N 0 3 364.449 3.910 20 30 FHEDHN COc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)c(O)c1OC ZINC000892246082 935505811 /nfs/dbraw/zinc/50/58/11/935505811.db2.gz KWMWKYWAAMKMJC-UHFFFAOYSA-N 0 3 350.418 3.570 20 30 FHEDHN N#CC(C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)NC1CCCC1 ZINC000051651906 935644425 /nfs/dbraw/zinc/64/44/25/935644425.db2.gz TWVSBAGZUWICLH-QGZVFWFLSA-N 0 3 368.408 3.786 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000582472819 935758484 /nfs/dbraw/zinc/75/84/84/935758484.db2.gz CROKGJJEIILVIJ-ZINXYGQCSA-N 0 3 359.473 3.613 20 30 FHEDHN N#CC(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000048790212 935865239 /nfs/dbraw/zinc/86/52/39/935865239.db2.gz LSIUGZGZGUZOPL-HNNXBMFYSA-N 0 3 363.377 3.540 20 30 FHEDHN CC[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC000472237709 935916642 /nfs/dbraw/zinc/91/66/42/935916642.db2.gz GRQOPZZTWYHDDR-IFMALSPDSA-N 0 3 361.489 3.690 20 30 FHEDHN CN(C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000582753690 936078828 /nfs/dbraw/zinc/07/88/28/936078828.db2.gz CUHHFGGAISATHI-LJQANCHMSA-N 0 3 366.440 3.826 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC1(O)CCCCCC1 ZINC000426202547 945148846 /nfs/dbraw/zinc/14/88/46/945148846.db2.gz VKRIBGTYGVRULW-QGZVFWFLSA-N 0 3 364.555 3.668 20 30 FHEDHN C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000583501409 938280284 /nfs/dbraw/zinc/28/02/84/938280284.db2.gz HMARZAYICVKKPC-NEWSRXKRSA-N 0 3 370.493 3.585 20 30 FHEDHN N#CCc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000583640146 938335268 /nfs/dbraw/zinc/33/52/68/938335268.db2.gz CDBPJCXAVLBCCW-KRWDZBQOSA-N 0 3 368.868 3.652 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(C#N)c1 ZINC000052485653 938339283 /nfs/dbraw/zinc/33/92/83/938339283.db2.gz ONQBGZWAAKVEFT-UHFFFAOYSA-N 0 3 367.522 3.656 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000074653573 938360815 /nfs/dbraw/zinc/36/08/15/938360815.db2.gz DONOQDSZXVQHCA-LEWJYISDSA-N 0 3 368.525 3.600 20 30 FHEDHN CN1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccccc1 ZINC000179013291 938507568 /nfs/dbraw/zinc/50/75/68/938507568.db2.gz LBLGOGPVVUFAMR-IEBWSBKVSA-N 0 3 365.481 3.682 20 30 FHEDHN CCOc1cccc(/C=N\C[C@@H]2CN(Cc3ccccc3)CCCO2)c1O ZINC000588592079 938673232 /nfs/dbraw/zinc/67/32/32/938673232.db2.gz AWWNSDSUIUCOQR-SPMKTWQFSA-N 0 3 368.477 3.501 20 30 FHEDHN CCc1nsc(N2CCCN(Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135265967 938677903 /nfs/dbraw/zinc/67/79/03/938677903.db2.gz APRUMXBTTFCBHI-UHFFFAOYSA-N 0 3 369.538 3.614 20 30 FHEDHN CC(C)(C)OC(=O)N[C@H](CNCc1ccc(C#N)s1)c1ccccc1 ZINC000176976897 939022929 /nfs/dbraw/zinc/02/29/29/939022929.db2.gz BEWIRNUOAYAOCC-QGZVFWFLSA-N 0 3 357.479 3.975 20 30 FHEDHN N#CC(C(=O)C[C@H]1CCC2(CCOCC2)CO1)c1ccc2ccccc2n1 ZINC000892428439 939081178 /nfs/dbraw/zinc/08/11/78/939081178.db2.gz ZWKIEIGSEOXLAA-MSOLQXFVSA-N 0 3 364.445 3.777 20 30 FHEDHN N#CCc1ccc(CN2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1 ZINC000796682782 939092180 /nfs/dbraw/zinc/09/21/80/939092180.db2.gz KWXRTSFCLIHMII-HXUWFJFHSA-N 0 3 355.482 3.776 20 30 FHEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179479582 939171180 /nfs/dbraw/zinc/17/11/80/939171180.db2.gz VJQZADPUBOVANO-YLJYHZDGSA-N 0 3 364.449 3.524 20 30 FHEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001125784663 939180820 /nfs/dbraw/zinc/18/08/20/939180820.db2.gz XAPMYCHQTHZLPT-IBGZPJMESA-N 0 3 363.505 3.636 20 30 FHEDHN CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000425791490 945259930 /nfs/dbraw/zinc/25/99/30/945259930.db2.gz UOSUBQDYEPFXHQ-FRQCXROJSA-N 0 3 368.481 3.983 20 30 FHEDHN N#CC(C(=O)C[C@@H]1CCC2(CCC2)CO1)C(=O)Nc1ccccc1Cl ZINC000892489140 940019157 /nfs/dbraw/zinc/01/91/57/940019157.db2.gz FDKGJMXOJMEIFC-KBPBESRZSA-N 0 3 360.841 3.727 20 30 FHEDHN CN(CCOc1ccc(F)cc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179891442 940084348 /nfs/dbraw/zinc/08/43/48/940084348.db2.gz YOIHHLIJKNKFBB-UHFFFAOYSA-N 0 3 364.424 3.609 20 30 FHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cncc(C(C)=O)c2)cc1 ZINC000892502130 940115305 /nfs/dbraw/zinc/11/53/05/940115305.db2.gz VZTJHAMKOPNLAU-YJYMSZOUSA-N 0 3 363.417 3.759 20 30 FHEDHN CC(C)CCOC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179944641 940159052 /nfs/dbraw/zinc/15/90/52/940159052.db2.gz YCAOVRSXBXHEKM-UHFFFAOYSA-N 0 3 366.509 3.986 20 30 FHEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000376003168 940171302 /nfs/dbraw/zinc/17/13/02/940171302.db2.gz JESBDZYTYDYTTR-KSSFIOAISA-N 0 3 357.841 3.536 20 30 FHEDHN CCCN(C)[C@@H](CNC(=O)c1ncc(C#N)cc1C)c1ccc(Cl)cc1 ZINC000580176653 940469368 /nfs/dbraw/zinc/46/93/68/940469368.db2.gz UFHJFZDGUUIYIL-SFHVURJKSA-N 0 3 370.884 3.728 20 30 FHEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)CCN1Cc1ccccc1 ZINC000581334499 940499529 /nfs/dbraw/zinc/49/95/29/940499529.db2.gz YTBPIZVINQEVFC-KDOFPFPSSA-N 0 3 368.868 3.996 20 30 FHEDHN C=CCc1ccccc1OC[C@@H](O)CN(Cc1cccc(F)c1)C1CC1 ZINC000613378112 940648687 /nfs/dbraw/zinc/64/86/87/940648687.db2.gz YFDBNHDKGAXAHJ-NRFANRHFSA-N 0 3 355.453 3.959 20 30 FHEDHN C[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000376282613 940693528 /nfs/dbraw/zinc/69/35/28/940693528.db2.gz RGWLBDZQEPUEMM-AWEZNQCLSA-N 0 3 360.417 3.538 20 30 FHEDHN COCc1cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1F ZINC000180181877 940760979 /nfs/dbraw/zinc/76/09/79/940760979.db2.gz CHJVVSPCMZETQN-UHFFFAOYSA-N 0 3 364.424 3.534 20 30 FHEDHN N[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1F ZINC000658975603 940956812 /nfs/dbraw/zinc/95/68/12/940956812.db2.gz GAXJHSYRZQBRFP-GHMZBOCLSA-N 0 3 373.272 3.627 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000177785168 941150217 /nfs/dbraw/zinc/15/02/17/941150217.db2.gz IRXSNWWLOHQAHV-CYBMUJFWSA-N 0 3 371.403 3.596 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000178810866 941308773 /nfs/dbraw/zinc/30/87/73/941308773.db2.gz KCZFTSDCWBKPJX-UHFFFAOYSA-N 0 3 367.497 3.569 20 30 FHEDHN CC(C)(C#N)CCCCN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000376633939 941369469 /nfs/dbraw/zinc/36/94/69/941369469.db2.gz IEEIZGADJDBYJH-UHFFFAOYSA-N 0 3 359.489 3.623 20 30 FHEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415033202 941556422 /nfs/dbraw/zinc/55/64/22/941556422.db2.gz GSLKNXAXBQSOCX-LSDHHAIUSA-N 0 3 350.422 3.565 20 30 FHEDHN C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H](C)CN1 ZINC000415033198 941556436 /nfs/dbraw/zinc/55/64/36/941556436.db2.gz GSLKNXAXBQSOCX-GJZGRUSLSA-N 0 3 350.422 3.565 20 30 FHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc([C@H]3CCC(=O)N3)cc2)n1 ZINC000892802436 941569963 /nfs/dbraw/zinc/56/99/63/941569963.db2.gz MLZHDLUBDJMMGI-LSDHHAIUSA-N 0 3 353.447 3.708 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2cccnc2-c2ccc(C)s2)CC1 ZINC000189464198 941757144 /nfs/dbraw/zinc/75/71/44/941757144.db2.gz TVBUZDAXYIDQRG-UHFFFAOYSA-N 0 3 356.495 3.890 20 30 FHEDHN C=CCOc1ccccc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000513225516 941797144 /nfs/dbraw/zinc/79/71/44/941797144.db2.gz BEPCBTSYFBLYNP-IBGZPJMESA-N 0 3 350.462 3.646 20 30 FHEDHN C=CCc1cc(CN2CC[C@H](n3ncc4ccccc43)C2)cc(OC)c1O ZINC000513391667 941887949 /nfs/dbraw/zinc/88/79/49/941887949.db2.gz ZCSGDCZVZLECFZ-IBGZPJMESA-N 0 3 363.461 3.926 20 30 FHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(n2cc(Br)cn2)CC1 ZINC000377727394 941938549 /nfs/dbraw/zinc/93/85/49/941938549.db2.gz ZWMAHECXAIDYEX-ZDUSSCGKSA-N 0 3 359.271 3.915 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC(F)F)c2ccccc2)CC1 ZINC000420795551 942201928 /nfs/dbraw/zinc/20/19/28/942201928.db2.gz SSQQSFXSZXMKBM-QGZVFWFLSA-N 0 3 351.441 3.723 20 30 FHEDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280589767 942210445 /nfs/dbraw/zinc/21/04/45/942210445.db2.gz SWWDOACOXMCBHZ-UHFFFAOYSA-N 0 3 365.477 3.817 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2c(C)onc2-c2ccccc2C)CC1 ZINC000280601431 942213085 /nfs/dbraw/zinc/21/30/85/942213085.db2.gz USHRHCWBMOZAAD-UHFFFAOYSA-N 0 3 353.466 3.729 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)NCc1ccc(C#N)s1)c1ccsc1 ZINC000420812724 942219997 /nfs/dbraw/zinc/21/99/97/942219997.db2.gz XMEBQUNKRQWFHQ-INIZCTEOSA-N 0 3 362.524 3.564 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)CC1 ZINC000188118008 942340596 /nfs/dbraw/zinc/34/05/96/942340596.db2.gz IJKLFTPYPKJTDR-UHFFFAOYSA-N 0 3 359.470 3.746 20 30 FHEDHN N#Cc1ccc(C2=CCN(CCC(=O)N3CCc4ccccc43)CC2)cc1 ZINC000502501855 942480525 /nfs/dbraw/zinc/48/05/25/942480525.db2.gz UZIBPQAFMRVMNV-UHFFFAOYSA-N 0 3 357.457 3.627 20 30 FHEDHN C[C@H]1CN(Cc2ccc(CNCc3ccc(C#N)c(F)c3)cc2)C[C@H](C)O1 ZINC000421334831 942508743 /nfs/dbraw/zinc/50/87/43/942508743.db2.gz QUGYYKBJSGSFPQ-IRXDYDNUSA-N 0 3 367.468 3.596 20 30 FHEDHN N#Cc1c(F)ccc(CNC2CCN(c3nccs3)CC2)c1Cl ZINC000366992529 942653179 /nfs/dbraw/zinc/65/31/79/942653179.db2.gz ZYSOUZYTSCBZME-UHFFFAOYSA-N 0 3 350.850 3.566 20 30 FHEDHN COc1cc(CN2[C@@H]3CC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)ccc1C#N ZINC000367027452 942689332 /nfs/dbraw/zinc/68/93/32/942689332.db2.gz BPAVGIQSNPKXLC-NNZMDNLPSA-N 0 3 371.481 3.587 20 30 FHEDHN CCOc1cc2c(cc1OCC)CN(CCCC1(C#N)CCOCC1)CC2 ZINC000282146058 943052388 /nfs/dbraw/zinc/05/23/88/943052388.db2.gz ZZUYFEKDPFZYAX-UHFFFAOYSA-N 0 3 372.509 3.943 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000435160477 943216203 /nfs/dbraw/zinc/21/62/03/943216203.db2.gz HYIZGNGUKNAIMW-RDTXWAMCSA-N 0 3 352.413 3.654 20 30 FHEDHN C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CCN(C2CC2)C1 ZINC000458846623 943221991 /nfs/dbraw/zinc/22/19/91/943221991.db2.gz RCJUGQXTBOARAB-PXNSSMCTSA-N 0 3 354.498 3.547 20 30 FHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000273075575 943269938 /nfs/dbraw/zinc/26/99/38/943269938.db2.gz PJNZGBBSBLCURC-JSNMRZPZSA-N 0 3 373.522 3.567 20 30 FHEDHN CS[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000728766644 943326446 /nfs/dbraw/zinc/32/64/46/943326446.db2.gz DZQFEUSYQWNXOE-UKRRQHHQSA-N 0 3 354.431 3.878 20 30 FHEDHN N#Cc1ccc(Cl)c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000503688052 943332769 /nfs/dbraw/zinc/33/27/69/943332769.db2.gz JXALDNCQESQUBC-IBGZPJMESA-N 0 3 353.853 3.779 20 30 FHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435352425 943350723 /nfs/dbraw/zinc/35/07/23/943350723.db2.gz DVOBRUNGOLBNOB-IBGZPJMESA-N 0 3 373.500 3.713 20 30 FHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613733005 943412779 /nfs/dbraw/zinc/41/27/79/943412779.db2.gz JQDMQYXEQXNYJR-IEBWSBKVSA-N 0 3 351.494 3.936 20 30 FHEDHN C=CCC(C)(C)C(=O)N1CCC[C@]2(CCN(Cc3scnc3C)C2)C1 ZINC001269977166 943470624 /nfs/dbraw/zinc/47/06/24/943470624.db2.gz IXUUEPFMDSUEPO-HXUWFJFHSA-N 0 3 361.555 3.868 20 30 FHEDHN C=CCC(C)(C)C(=O)N1CCC[C@@]2(CCN(Cc3scnc3C)C2)C1 ZINC001269977165 943470785 /nfs/dbraw/zinc/47/07/85/943470785.db2.gz IXUUEPFMDSUEPO-FQEVSTJZSA-N 0 3 361.555 3.868 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000435725640 943582257 /nfs/dbraw/zinc/58/22/57/943582257.db2.gz HUXIBFRBIPBNOX-PXAZEXFGSA-N 0 3 367.280 3.645 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000435735036 943587438 /nfs/dbraw/zinc/58/74/38/943587438.db2.gz ISSAZNGFRDQSPB-SJCJKPOMSA-N 0 3 367.280 3.645 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435742691 943592760 /nfs/dbraw/zinc/59/27/60/943592760.db2.gz WRNNEIOHKBEUFV-PBHICJAKSA-N 0 3 359.451 3.789 20 30 FHEDHN C[S@](=O)Cc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000584809032 943655679 /nfs/dbraw/zinc/65/56/79/943655679.db2.gz APOPLRKUWRLDNH-VWLOTQADSA-N 0 3 366.408 3.745 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000424105225 943720161 /nfs/dbraw/zinc/72/01/61/943720161.db2.gz VDEAZLWXCNSFQE-RBUKOAKNSA-N 0 3 355.869 3.761 20 30 FHEDHN Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@@H](N)CCCC#N)s1 ZINC000424093008 943728377 /nfs/dbraw/zinc/72/83/77/943728377.db2.gz QGFQEYUTGGGSNN-HNNXBMFYSA-N 0 3 362.886 3.655 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000424112000 943736987 /nfs/dbraw/zinc/73/69/87/943736987.db2.gz HWIYDYSRUPZKFX-JKSUJKDBSA-N 0 3 353.388 3.780 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000424113933 943738538 /nfs/dbraw/zinc/73/85/38/943738538.db2.gz PDJFLTIXOBBMDC-HOTGVXAUSA-N 0 3 353.388 3.780 20 30 FHEDHN COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424117031 943740235 /nfs/dbraw/zinc/74/02/35/943740235.db2.gz CFGQZQLJZWXYAD-BEFAXECRSA-N 0 3 351.450 3.561 20 30 FHEDHN Cc1cccc(COc2ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)cc2)c1 ZINC000424117942 943740773 /nfs/dbraw/zinc/74/07/73/943740773.db2.gz ZJWNLJXNGOTFQR-LAUBAEHRSA-N 0 3 365.477 3.772 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000424139573 943748472 /nfs/dbraw/zinc/74/84/72/943748472.db2.gz RJYCBRQJZYDRIY-INIZCTEOSA-N 0 3 356.857 3.912 20 30 FHEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000424179150 943762469 /nfs/dbraw/zinc/76/24/69/943762469.db2.gz YJFAKSYEZUCJOA-SFHVURJKSA-N 0 3 357.454 3.614 20 30 FHEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000437642962 943992614 /nfs/dbraw/zinc/99/26/14/943992614.db2.gz BCGPZWLZBDEGPT-XLIONFOSSA-N 0 3 364.555 3.866 20 30 FHEDHN Cc1cccc2c(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)coc21 ZINC000424614661 944026826 /nfs/dbraw/zinc/02/68/26/944026826.db2.gz JHWOIILHBFVKQP-UHFFFAOYSA-N 0 3 361.445 3.817 20 30 FHEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCOCC1 ZINC000424615838 944027528 /nfs/dbraw/zinc/02/75/28/944027528.db2.gz LHKCQEISEFQKHF-FQEVSTJZSA-N 0 3 356.510 3.530 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)c(C)s2)CC1 ZINC000424652907 944035114 /nfs/dbraw/zinc/03/51/14/944035114.db2.gz RNLLEZWAEGCOHM-UHFFFAOYSA-N 0 3 357.317 3.589 20 30 FHEDHN CSc1c(F)cccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000436132622 944046138 /nfs/dbraw/zinc/04/61/38/944046138.db2.gz RYGDRLZQBSGCHS-UHFFFAOYSA-N 0 3 371.481 3.623 20 30 FHEDHN CCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000436134304 944046734 /nfs/dbraw/zinc/04/67/34/944046734.db2.gz DDZVSPWNILUSDP-MAUKXSAKSA-N 0 3 351.450 3.757 20 30 FHEDHN Cc1oc(C#N)cc1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000436138919 944050767 /nfs/dbraw/zinc/05/07/67/944050767.db2.gz YXKHGVCRIAXGFX-FQEVSTJZSA-N 0 3 365.477 3.663 20 30 FHEDHN CN(C)C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000500102688 944099820 /nfs/dbraw/zinc/09/98/20/944099820.db2.gz OTLGJEWWBFKLQZ-UXHICEINSA-N 0 3 368.456 3.773 20 30 FHEDHN COC(=O)[C@H](C)Oc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418140235 944199923 /nfs/dbraw/zinc/19/99/23/944199923.db2.gz FNRNISRBUGPETG-BTYIYWSLSA-N 0 3 364.445 3.666 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCCCCCOC2CCCCC2)CC1 ZINC000111496057 944275430 /nfs/dbraw/zinc/27/54/30/944275430.db2.gz SHIVFZTVPBVTEP-UHFFFAOYSA-N 0 3 365.562 3.846 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000517543377 944372673 /nfs/dbraw/zinc/37/26/73/944372673.db2.gz AFJVCCRYVBMITJ-DYESRHJHSA-N 0 3 362.477 3.535 20 30 FHEDHN Cc1ccc(C#N)c(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000500296745 944443117 /nfs/dbraw/zinc/44/31/17/944443117.db2.gz OJBRFCXLYQVDAB-KRWDZBQOSA-N 0 3 360.383 3.967 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2ccccc21 ZINC000047010457 944518707 /nfs/dbraw/zinc/51/87/07/944518707.db2.gz CJMGIMPSPVZGSZ-QFIPXVFZSA-N 0 3 361.489 3.569 20 30 FHEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759842854 944532809 /nfs/dbraw/zinc/53/28/09/944532809.db2.gz DXIYNMWIRUWWSN-IBGZPJMESA-N 0 3 362.832 3.533 20 30 FHEDHN CN(C)C[C@H](NCc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000518606620 944544392 /nfs/dbraw/zinc/54/43/92/944544392.db2.gz YQVCMMQMHUYFNR-NRFANRHFSA-N 0 3 355.457 3.901 20 30 FHEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1 ZINC000517734168 944545725 /nfs/dbraw/zinc/54/57/25/944545725.db2.gz BMTPOURWWZGDNA-MRXNPFEDSA-N 0 3 357.461 3.561 20 30 FHEDHN N#Cc1cccc(COc2cccc(CN3CCc4cc[nH]c(=O)c4C3)c2)c1 ZINC000426368611 944579211 /nfs/dbraw/zinc/57/92/11/944579211.db2.gz BBHCSMFTNJWMME-UHFFFAOYSA-N 0 3 371.440 3.796 20 30 FHEDHN C=CCC[C@H]([NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1)c1ccco1 ZINC000436746485 944586273 /nfs/dbraw/zinc/58/62/73/944586273.db2.gz YHKOOUAIFWUTJZ-SFHVURJKSA-N 0 3 354.450 3.887 20 30 FHEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C12CCCCC2 ZINC000516376652 944778468 /nfs/dbraw/zinc/77/84/68/944778468.db2.gz KMRVSNQUCIXLRL-ATZDWAIDSA-N 0 3 355.482 3.603 20 30 FHEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C12CCCCC2 ZINC000516376655 944778617 /nfs/dbraw/zinc/77/86/17/944778617.db2.gz KMRVSNQUCIXLRL-ZYSHUDEJSA-N 0 3 355.482 3.603 20 30 FHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000425653527 944829292 /nfs/dbraw/zinc/82/92/92/944829292.db2.gz ZYCLQNLZAKXFGB-LAUBAEHRSA-N 0 3 362.477 3.535 20 30 FHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000425653532 944829756 /nfs/dbraw/zinc/82/97/56/944829756.db2.gz ZYCLQNLZAKXFGB-UWJYYQICSA-N 0 3 362.477 3.535 20 30 FHEDHN C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000505917546 944888231 /nfs/dbraw/zinc/88/82/31/944888231.db2.gz RPVCFXUEHDUEMC-BBRMVZONSA-N 0 3 353.388 3.651 20 30 FHEDHN CC(C)(C)[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000507023775 944889991 /nfs/dbraw/zinc/88/99/91/944889991.db2.gz ZOQHEYUTZDNHGZ-FQEVSTJZSA-N 0 3 353.441 3.691 20 30 FHEDHN C=CCc1cc(CN(C)C[C@H]2OCCc3ccccc32)cc(OC)c1O ZINC000511669851 944896421 /nfs/dbraw/zinc/89/64/21/944896421.db2.gz DTZZYOJGWLTQNH-OAQYLSRUSA-N 0 3 353.462 3.875 20 30 FHEDHN N#Cc1cccnc1N1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000507068980 944911383 /nfs/dbraw/zinc/91/13/83/944911383.db2.gz XQOZBZQMJKCPFK-UHFFFAOYSA-N 0 3 368.484 3.907 20 30 FHEDHN CC(C)Oc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)N(C)C)cc1 ZINC000516507637 944956350 /nfs/dbraw/zinc/95/63/50/944956350.db2.gz ZISFAJFYJVTFSU-HXUWFJFHSA-N 0 3 368.437 3.968 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)CC1 ZINC000507174219 945023581 /nfs/dbraw/zinc/02/35/81/945023581.db2.gz CBWIJYMQFQZHEA-QRWLVFNGSA-N 0 3 361.917 3.915 20 30 FHEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)CN1Cc1ccccc1 ZINC000426167268 945050413 /nfs/dbraw/zinc/05/04/13/945050413.db2.gz SGPLRHWGPAANMD-PBHICJAKSA-N 0 3 368.868 3.996 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc2n[nH]cc2c1 ZINC000507230550 945052116 /nfs/dbraw/zinc/05/21/16/945052116.db2.gz OJWKSBPLXBXWCZ-CABCVRRESA-N 0 3 368.506 3.878 20 30 FHEDHN CC(C)CCn1ncc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1C(C)C ZINC000330180997 945390559 /nfs/dbraw/zinc/39/05/59/945390559.db2.gz NRGAPMYNOSHSNW-AEFFLSMTSA-N 0 3 361.534 3.624 20 30 FHEDHN Cc1nc2c(n1[C@@H]1CCN(CC(=O)NC3CCCCCC3)C1)CCCC2 ZINC000330354708 945659166 /nfs/dbraw/zinc/65/91/66/945659166.db2.gz PSSRJCIUBYOKIY-GOSISDBHSA-N 0 3 358.530 3.996 20 30 FHEDHN Cc1ccc([C@@H](CN2CCOCC2)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000519735097 945699666 /nfs/dbraw/zinc/69/96/66/945699666.db2.gz OLFGMLGDBOFGFX-XZOQPEGZSA-N 0 3 361.489 3.517 20 30 FHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)Cc2csc(CC)n2)cc1 ZINC000121305192 945827963 /nfs/dbraw/zinc/82/79/63/945827963.db2.gz LBZUHLLSNBASCB-QGZVFWFLSA-N 0 3 369.490 3.938 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000111233799 945862383 /nfs/dbraw/zinc/86/23/83/945862383.db2.gz IKDGBLRABZUHHF-INIZCTEOSA-N 0 3 354.498 3.555 20 30 FHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cc1c(C)cc(C#N)cc1C ZINC001271405244 946001098 /nfs/dbraw/zinc/00/10/98/946001098.db2.gz UNKLSDOCDDGXMX-FYYLOGMGSA-N 0 3 373.500 3.861 20 30 FHEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)C1 ZINC000661378460 946051152 /nfs/dbraw/zinc/05/11/52/946051152.db2.gz GXHQPNKVRYXNLJ-QZTJIDSGSA-N 0 3 371.525 3.784 20 30 FHEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)C1 ZINC000661378459 946051758 /nfs/dbraw/zinc/05/17/58/946051758.db2.gz GXHQPNKVRYXNLJ-MSOLQXFVSA-N 0 3 371.525 3.784 20 30 FHEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)C1 ZINC000661378462 946052145 /nfs/dbraw/zinc/05/21/45/946052145.db2.gz GXHQPNKVRYXNLJ-ZWKOTPCHSA-N 0 3 371.525 3.784 20 30 FHEDHN CS[C@@H]1CCCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000441136226 946260917 /nfs/dbraw/zinc/26/09/17/946260917.db2.gz VGKJKQYGOFPJQR-DHADLLTHSA-N 0 3 351.560 3.523 20 30 FHEDHN COc1ccc(CN(Cc2cc(C#N)n(C)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000520259069 946310894 /nfs/dbraw/zinc/31/08/94/946310894.db2.gz SWJNMOUJRIKFEZ-HNNXBMFYSA-N 0 3 353.466 3.715 20 30 FHEDHN C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823894136 946503750 /nfs/dbraw/zinc/50/37/50/946503750.db2.gz INVMOVFQOYIQIA-MGPUTAFESA-N 0 3 363.465 3.511 20 30 FHEDHN C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823894136 946503756 /nfs/dbraw/zinc/50/37/56/946503756.db2.gz INVMOVFQOYIQIA-MGPUTAFESA-N 0 3 363.465 3.511 20 30 FHEDHN C=CCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)C(C)(C)C ZINC000661759956 946598973 /nfs/dbraw/zinc/59/89/73/946598973.db2.gz MWMCOIUCXNIZHY-QGZVFWFLSA-N 0 3 360.498 3.654 20 30 FHEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccncc1 ZINC000136654619 946702585 /nfs/dbraw/zinc/70/25/85/946702585.db2.gz NZWLDPRQFZQXNL-SMDDNHRTSA-N 0 3 359.788 3.715 20 30 FHEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000475271434 946805517 /nfs/dbraw/zinc/80/55/17/946805517.db2.gz XFWKJOPJLSMWQN-CJNGLKHVSA-N 0 3 363.387 3.631 20 30 FHEDHN C=CCOc1ccccc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475322953 946897604 /nfs/dbraw/zinc/89/76/04/946897604.db2.gz VCKRZEVAYNQCCL-IBGZPJMESA-N 0 3 350.462 3.598 20 30 FHEDHN CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccc(F)cc2C1 ZINC000184513511 946924874 /nfs/dbraw/zinc/92/48/74/946924874.db2.gz PUJQNUJIBPXVPA-QKKBWIMNSA-N 0 3 351.425 3.841 20 30 FHEDHN N#C[C@H](c1ccccc1)N1CCN(CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001167785187 946927100 /nfs/dbraw/zinc/92/71/00/946927100.db2.gz RROCHDHJGHMQRR-NHCUHLMSSA-N 0 3 353.510 3.608 20 30 FHEDHN N#Cc1ccsc1NC(=O)CCN1CCC(OC2CCCCC2)CC1 ZINC000125604757 946953137 /nfs/dbraw/zinc/95/31/37/946953137.db2.gz UWDKHGLAXHZDDR-UHFFFAOYSA-N 0 3 361.511 3.762 20 30 FHEDHN O=C(CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)NC1CCCCC1 ZINC000328614395 946958759 /nfs/dbraw/zinc/95/87/59/946958759.db2.gz RBXYLBZIGDJIHU-GFCCVEGCSA-N 0 3 358.408 3.897 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCCc3occc32)C1 ZINC000328661771 946971083 /nfs/dbraw/zinc/97/10/83/946971083.db2.gz ALAIQYKFJTXOGJ-HHXXYDBFSA-N 0 3 353.466 3.996 20 30 FHEDHN C[C@@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000328687969 946988250 /nfs/dbraw/zinc/98/82/50/946988250.db2.gz HJXVIDCPQBBRQA-IAQYHMDHSA-N 0 3 372.494 3.716 20 30 FHEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2CC(=O)Nc2cccc3nsnc32)C1 ZINC000328735877 947003735 /nfs/dbraw/zinc/00/37/35/947003735.db2.gz KURRKHNVSWSUMI-GFOFROLCSA-N 0 3 374.510 3.541 20 30 FHEDHN O=C(Nc1cc(Cl)ccc1[O-])C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000328770407 947019778 /nfs/dbraw/zinc/01/97/78/947019778.db2.gz RANSFVRWMJSLKV-CYBMUJFWSA-N 0 3 352.862 3.772 20 30 FHEDHN COc1ccccc1-c1noc(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000328853134 947065661 /nfs/dbraw/zinc/06/56/61/947065661.db2.gz SLXNJUNXQODFCX-GOEBONIOSA-N 0 3 352.438 3.617 20 30 FHEDHN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CC[C@@H](C3CCOCC3)C2)c(C)c1 ZINC000328870954 947076749 /nfs/dbraw/zinc/07/67/49/947076749.db2.gz YDWDPRIJBGTVDC-SJLPKXTDSA-N 0 3 373.497 3.942 20 30 FHEDHN CN1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000328890353 947084636 /nfs/dbraw/zinc/08/46/36/947084636.db2.gz ROEBUQWGYDWDAI-AABGKKOBSA-N 0 3 371.525 3.817 20 30 FHEDHN C=CCn1c(CC2CC2)nnc1N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000508509098 947245092 /nfs/dbraw/zinc/24/50/92/947245092.db2.gz MKCWRBMLCACTBU-FQEVSTJZSA-N 0 3 365.525 3.517 20 30 FHEDHN C=CCCCCCN(C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000523550869 947364948 /nfs/dbraw/zinc/36/49/48/947364948.db2.gz DZMXSYFXDYMKRA-LJQANCHMSA-N 0 3 372.509 3.800 20 30 FHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCN(C(C)C)CC1 ZINC000523561004 947388005 /nfs/dbraw/zinc/38/80/05/947388005.db2.gz QZCKFCIWCXEGBG-UHFFFAOYSA-N 0 3 370.415 3.827 20 30 FHEDHN C=CCC1(NCc2nc3oc(C)c(C(=O)OCC)c3c(N)n2)CCCCC1 ZINC000599609160 947391420 /nfs/dbraw/zinc/39/14/20/947391420.db2.gz HFXUXZMLAKRABV-UHFFFAOYSA-N 0 3 372.469 3.659 20 30 FHEDHN COc1cc(CNCc2ccc(COC3CCOCC3)cc2)ccc1C#N ZINC000440635220 947455338 /nfs/dbraw/zinc/45/53/38/947455338.db2.gz JUPFAHUAUWXMEW-UHFFFAOYSA-N 0 3 366.461 3.552 20 30 FHEDHN C=CCCC[C@@H]([NH2+]C[C@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573335137 947472008 /nfs/dbraw/zinc/47/20/08/947472008.db2.gz MLZYCMZRBHDDMH-UXHICEINSA-N 0 3 363.465 3.587 20 30 FHEDHN C=CCCC[C@@H]([NH2+]C[C@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573335137 947472013 /nfs/dbraw/zinc/47/20/13/947472013.db2.gz MLZYCMZRBHDDMH-UXHICEINSA-N 0 3 363.465 3.587 20 30 FHEDHN C=CCC[C@@H](C(=O)NC1CCN(CCOC(C)C)CC1)c1ccccc1 ZINC000190072091 947916481 /nfs/dbraw/zinc/91/64/81/947916481.db2.gz ATCRCCVIRAQAHA-OAQYLSRUSA-N 0 3 358.526 3.742 20 30 FHEDHN C=C(C)CCNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000459032036 947925284 /nfs/dbraw/zinc/92/52/84/947925284.db2.gz WDDPLRUCAUTJQU-UHFFFAOYSA-N 0 3 357.420 3.745 20 30 FHEDHN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3ccc(C)cc3)o2)n1 ZINC000007831859 948086114 /nfs/dbraw/zinc/08/61/14/948086114.db2.gz UUODAVBQAGCFHS-CYBMUJFWSA-N 0 3 370.459 3.779 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)O[C@@](C)(CC)O3)CC1 ZINC000190419606 948087514 /nfs/dbraw/zinc/08/75/14/948087514.db2.gz XUOOPTFLWOMPLM-FQEVSTJZSA-N 0 3 359.470 3.746 20 30 FHEDHN COc1ccc(CNCc2cccc(C#N)c2)cc1OCc1cccnc1 ZINC000066971956 948110339 /nfs/dbraw/zinc/11/03/39/948110339.db2.gz NZTDFCDYNRPDBC-UHFFFAOYSA-N 0 3 359.429 3.831 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ccc(C(C)C)cc2)CC1 ZINC000520693681 948596683 /nfs/dbraw/zinc/59/66/83/948596683.db2.gz LQGRDIWXQLQERL-UHFFFAOYSA-N 0 3 359.514 3.529 20 30 FHEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967598 567889493 /nfs/dbraw/zinc/88/94/93/567889493.db2.gz HHXPESBHEUWVRC-ZJUUUORDSA-N 0 3 355.269 3.821 20 30 FHEDHN N#Cc1ccccc1NC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000602183914 567947796 /nfs/dbraw/zinc/94/77/96/567947796.db2.gz PRLMCYOLOWRWQX-FQEVSTJZSA-N 0 3 372.472 3.734 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(OCC(F)(F)F)c1 ZINC000602515814 567986640 /nfs/dbraw/zinc/98/66/40/567986640.db2.gz ZDFDRVCLCMPUOI-CQSZACIVSA-N 0 3 356.388 3.816 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(OCC(F)(F)F)cc1 ZINC000602506979 567988810 /nfs/dbraw/zinc/98/88/10/567988810.db2.gz MGARZHNUFFTIHP-CQSZACIVSA-N 0 3 356.388 3.816 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000602562687 567991861 /nfs/dbraw/zinc/99/18/61/567991861.db2.gz XZWPUEZDYKDZME-INIZCTEOSA-N 0 3 358.482 3.830 20 30 FHEDHN CS(=O)(=O)c1cccc([C@H](NC2CCC(C#N)CC2)c2ccccc2)c1 ZINC000602586970 567994486 /nfs/dbraw/zinc/99/44/86/567994486.db2.gz FJUPUOISCOKLBR-VFIGECHUSA-N 0 3 368.502 3.851 20 30 FHEDHN C[C@@H](CCC#N)CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000602591289 567995000 /nfs/dbraw/zinc/99/50/00/567995000.db2.gz YKQCOLPCQNUOKR-YWZLYKJASA-N 0 3 374.481 3.848 20 30 FHEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(OC[C@H]2CCOC2)c1 ZINC000602575913 567996707 /nfs/dbraw/zinc/99/67/07/567996707.db2.gz KDLOGUPEJAZMJS-MOPGFXCFSA-N 0 3 372.509 3.599 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000602718334 568014773 /nfs/dbraw/zinc/01/47/73/568014773.db2.gz VVSADPJBYAQPAX-GHTZIAJQSA-N 0 3 372.509 3.571 20 30 FHEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000568471331 568041651 /nfs/dbraw/zinc/04/16/51/568041651.db2.gz LOZPUYVLNRZBRU-UHFFFAOYSA-N 0 3 360.417 3.836 20 30 FHEDHN CCc1nc2ccccc2c(N2CCN(c3cnccc3C#N)CC2)c1C ZINC000568581841 568064986 /nfs/dbraw/zinc/06/49/86/568064986.db2.gz QTYPFVRHLRFSEU-UHFFFAOYSA-N 0 3 357.461 3.699 20 30 FHEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481647060 568080378 /nfs/dbraw/zinc/08/03/78/568080378.db2.gz ZKMZZBAGQDYCDO-OPAMFIHVSA-N 0 3 372.472 3.714 20 30 FHEDHN C=CCN(Cc1ccc(F)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000522775390 568128085 /nfs/dbraw/zinc/12/80/85/568128085.db2.gz RNCOZAOCGVVZFM-AWEZNQCLSA-N 0 3 355.392 3.690 20 30 FHEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC000481841875 568147648 /nfs/dbraw/zinc/14/76/48/568147648.db2.gz QLMNTMHIHBWAJV-FQEVSTJZSA-N 0 3 370.880 3.831 20 30 FHEDHN C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(=O)N1Cc2ccccc2C1 ZINC000481991008 568215923 /nfs/dbraw/zinc/21/59/23/568215923.db2.gz JZDDALJEVINZET-ZHRRBRCNSA-N 0 3 359.473 3.846 20 30 FHEDHN O=C(NCC#Cc1ccccc1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604164838 568220288 /nfs/dbraw/zinc/22/02/88/568220288.db2.gz PMRJUDNETVTAKH-QFIPXVFZSA-N 0 3 361.489 3.565 20 30 FHEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2n2cccn2)c(Br)c1 ZINC000128749533 568247114 /nfs/dbraw/zinc/24/71/14/568247114.db2.gz GIBCQGFCGVTUGK-DLBZAZTESA-N 0 3 359.271 3.791 20 30 FHEDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000075926278 568262985 /nfs/dbraw/zinc/26/29/85/568262985.db2.gz DEICDPDDSJDGFN-KRWDZBQOSA-N 0 3 367.415 3.571 20 30 FHEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000482140114 568287976 /nfs/dbraw/zinc/28/79/76/568287976.db2.gz QQNNKMGHQOQDKB-IAOVAPTHSA-N 0 3 361.486 3.669 20 30 FHEDHN COc1ccc2c(c1)C[C@@H](C)N(CCC(=O)Nc1ccccc1C#N)[C@@H]2C ZINC000541990074 568310013 /nfs/dbraw/zinc/31/00/13/568310013.db2.gz MIOSHFZTGXUESL-HZPDHXFCSA-N 0 3 363.461 3.903 20 30 FHEDHN COc1ccc2c(c1)C[C@@H](C)N(CCC(=O)Nc1ccccc1C#N)[C@H]2C ZINC000541990072 568315046 /nfs/dbraw/zinc/31/50/46/568315046.db2.gz MIOSHFZTGXUESL-CVEARBPZSA-N 0 3 363.461 3.903 20 30 FHEDHN CN(CC#Cc1ccccc1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000365252445 568367988 /nfs/dbraw/zinc/36/79/88/568367988.db2.gz BCLYVSDYFNKXOD-UHFFFAOYSA-N 0 3 361.489 3.914 20 30 FHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000570580345 568495322 /nfs/dbraw/zinc/49/53/22/568495322.db2.gz TUFBQQWCAQBBQE-LJQANCHMSA-N 0 3 363.461 3.806 20 30 FHEDHN COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000050108094 568726975 /nfs/dbraw/zinc/72/69/75/568726975.db2.gz LYPZZFCWWKDHIE-INIZCTEOSA-N 0 3 370.478 3.587 20 30 FHEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824261886 608387687 /nfs/dbraw/zinc/38/76/87/608387687.db2.gz STEQVLUMJCJNGR-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824261886 608387690 /nfs/dbraw/zinc/38/76/90/608387690.db2.gz STEQVLUMJCJNGR-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824537004 608543168 /nfs/dbraw/zinc/54/31/68/608543168.db2.gz CEYBDBBEMIXGFI-LYGRKUJNSA-N 0 3 372.476 3.921 20 30 FHEDHN C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824537004 608543169 /nfs/dbraw/zinc/54/31/69/608543169.db2.gz CEYBDBBEMIXGFI-LYGRKUJNSA-N 0 3 372.476 3.921 20 30 FHEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCN(CC(C)C)CC3)c12 ZINC001164660580 719340766 /nfs/dbraw/zinc/34/07/66/719340766.db2.gz IVNPUNOWAFJLMY-UHFFFAOYSA-N 0 3 360.864 3.985 20 30 FHEDHN C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000583072761 937098125 /nfs/dbraw/zinc/09/81/25/937098125.db2.gz KOFKIURVDVMTQX-UHFFFAOYSA-N 0 3 355.413 3.528 20 30 FHEDHN CCN(Cc1cccc(Cl)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000047958686 927111503 /nfs/dbraw/zinc/11/15/03/927111503.db2.gz ZFQYUJCZVWUMDW-LJQANCHMSA-N 0 3 358.869 3.668 20 30 FHEDHN COc1ccc2ccccc2c1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430173461 927519955 /nfs/dbraw/zinc/51/99/55/927519955.db2.gz WIMHKMMQIVMAFY-SFHVURJKSA-N 0 3 359.429 3.768 20 30 FHEDHN C=CCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1OC ZINC000109289772 928983785 /nfs/dbraw/zinc/98/37/85/928983785.db2.gz BNIOFGCEGRVNQM-LJQANCHMSA-N 0 3 368.477 3.601 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)CC1 ZINC000155444610 937309979 /nfs/dbraw/zinc/30/99/79/937309979.db2.gz QPQLRBVKEZHAAY-UHFFFAOYSA-N 0 3 371.481 3.626 20 30 FHEDHN COc1cc(CN(C)[C@H]2CCCOC2)ccc1OCc1cccc(C#N)c1 ZINC000510161432 929527425 /nfs/dbraw/zinc/52/74/25/929527425.db2.gz WQLDXDBAYDJZEP-FQEVSTJZSA-N 0 3 366.461 3.757 20 30 FHEDHN Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000175789661 929818259 /nfs/dbraw/zinc/81/82/59/929818259.db2.gz AAMJCBUFHKIGMI-HXUWFJFHSA-N 0 3 362.477 3.995 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@H]([S@@](=O)CC)C2)c([O-])c1 ZINC000255138333 929925011 /nfs/dbraw/zinc/92/50/11/929925011.db2.gz DMODYGNBNOFCLO-NWBYYLKKSA-N 0 3 350.528 3.737 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000610350349 930085858 /nfs/dbraw/zinc/08/58/58/930085858.db2.gz SNXUICCFMQYHPA-UZLBHIALSA-N 0 3 350.466 3.530 20 30 FHEDHN C[C@@H]1C[C@H](c2ccccc2F)N(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610370746 930175222 /nfs/dbraw/zinc/17/52/22/930175222.db2.gz CBESFEZNEZLRKO-RADWXHQJSA-N 0 3 368.452 3.715 20 30 FHEDHN C[C@@H]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](c2ccco2)C1 ZINC000610372177 930177585 /nfs/dbraw/zinc/17/75/85/930177585.db2.gz HLTQLNMXBXHYBV-YVWKXTFCSA-N 0 3 354.450 3.559 20 30 FHEDHN CC(=O)[C@@](C#N)(CCN1CC[C@@H](Cc2nc(C)cs2)C1)c1ccccc1 ZINC000933125304 931756104 /nfs/dbraw/zinc/75/61/04/931756104.db2.gz KIOYDEKZWJVNIJ-RXVVDRJESA-N 0 3 367.518 3.757 20 30 FHEDHN CC(=O)[C@@](C#N)(CCN1CC[C@H](Cc2nc(C)cs2)C1)c1ccccc1 ZINC000933125303 931756221 /nfs/dbraw/zinc/75/62/21/931756221.db2.gz KIOYDEKZWJVNIJ-NQIIRXRSSA-N 0 3 367.518 3.757 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)CCC(=O)N3)s1 ZINC000430594179 932008047 /nfs/dbraw/zinc/00/80/47/932008047.db2.gz GEBNJHKIIYFPRL-CYBMUJFWSA-N 0 3 353.447 3.815 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCc2ccc(C)s2)c1 ZINC000176018042 932475460 /nfs/dbraw/zinc/47/54/60/932475460.db2.gz ZLLKXZISUHFUPT-QGZVFWFLSA-N 0 3 356.447 3.735 20 30 FHEDHN N#CC(C(=O)Nc1ccccn1)c1nc(-c2c(F)cccc2F)cs1 ZINC000155746000 932602715 /nfs/dbraw/zinc/60/27/15/932602715.db2.gz NGMFTNIFZYAGSR-SNVBAGLBSA-N 0 3 356.357 3.729 20 30 FHEDHN CCOC(=O)Nc1ccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)cc1C#N ZINC000161032936 932706802 /nfs/dbraw/zinc/70/68/02/932706802.db2.gz NPLUUIOYWAXXAX-GOSISDBHSA-N 0 3 372.469 3.576 20 30 FHEDHN C/C(=C\c1ccc(F)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000176033011 932844813 /nfs/dbraw/zinc/84/48/13/932844813.db2.gz GLKTWJZGMPPMIQ-SAPNQHFASA-N 0 3 365.452 3.691 20 30 FHEDHN N#CC(C(=O)c1cccc2c1CC(=O)CC2)c1cc(C(F)(F)F)ccn1 ZINC000581977728 933212070 /nfs/dbraw/zinc/21/20/70/933212070.db2.gz UGIVSGGXMJDHEU-INIZCTEOSA-N 0 3 358.319 3.648 20 30 FHEDHN CC(C)[C@H]1CCC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000510596028 933256753 /nfs/dbraw/zinc/25/67/53/933256753.db2.gz IRLOEJPOVMFZSV-LEWJYISDSA-N 0 3 370.541 3.846 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000187663595 934031380 /nfs/dbraw/zinc/03/13/80/934031380.db2.gz MKMFLUMBIARSKE-MRXNPFEDSA-N 0 3 367.518 3.752 20 30 FHEDHN C/C(=C\c1ccc(F)cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000176246105 934565916 /nfs/dbraw/zinc/56/59/16/934565916.db2.gz RWBRZQCTDSSCNH-GHRIWEEISA-N 0 3 365.452 3.691 20 30 FHEDHN C=CCOc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458365802 934785312 /nfs/dbraw/zinc/78/53/12/934785312.db2.gz BWFKIAIFQBCNJQ-UHFFFAOYSA-N 0 3 373.522 3.586 20 30 FHEDHN CC(C)(C)[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000538224367 934810542 /nfs/dbraw/zinc/81/05/42/934810542.db2.gz XWQSOTXUTXZLOV-JXFKEZNVSA-N 0 3 374.431 3.953 20 30 FHEDHN CCSc1cccc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000472079013 934960923 /nfs/dbraw/zinc/96/09/23/934960923.db2.gz RITAUKGKXCIQLP-FQEVSTJZSA-N 0 3 365.502 3.955 20 30 FHEDHN C[C@@H]1CN(CCCCNc2cccc(Br)c2C#N)C[C@@H](C)O1 ZINC000439965811 945115559 /nfs/dbraw/zinc/11/55/59/945115559.db2.gz HKDZUCSRLFOQAY-ZIAGYGMSSA-N 0 3 366.303 3.622 20 30 FHEDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000075925936 936017484 /nfs/dbraw/zinc/01/74/84/936017484.db2.gz XVXJEFJFOQHDDE-QGZVFWFLSA-N 0 3 367.415 3.571 20 30 FHEDHN C=CCOc1ccc(CNCc2ccccc2Cn2ccnc2)cc1OC ZINC000075758087 936019047 /nfs/dbraw/zinc/01/90/47/936019047.db2.gz SMCUPCOWUYQFMR-UHFFFAOYSA-N 0 3 363.461 3.795 20 30 FHEDHN C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000077840411 936058372 /nfs/dbraw/zinc/05/83/72/936058372.db2.gz BXJUFYQBZDLRQZ-UWJYYQICSA-N 0 3 362.477 3.583 20 30 FHEDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](CCC#N)c2ccccc2)o1 ZINC000160667672 936113316 /nfs/dbraw/zinc/11/33/16/936113316.db2.gz WHJYFSVZABAKFU-HXUWFJFHSA-N 0 3 368.481 3.706 20 30 FHEDHN C=CCC1(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCOCC1 ZINC000657633399 936127322 /nfs/dbraw/zinc/12/73/22/936127322.db2.gz NVVASNBBEZELJS-UHFFFAOYSA-N 0 3 367.280 3.789 20 30 FHEDHN C[C@H]1[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCN1Cc1ccccc1 ZINC000582805940 936141802 /nfs/dbraw/zinc/14/18/02/936141802.db2.gz UYBAWTNYIVRORO-UWJYYQICSA-N 0 3 359.473 3.635 20 30 FHEDHN N#CC(C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CCCCO1 ZINC000121971780 936220865 /nfs/dbraw/zinc/22/08/65/936220865.db2.gz IZHOUIHHCLGOBW-APWZRJJASA-N 0 3 364.401 3.695 20 30 FHEDHN COc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000052635598 938458037 /nfs/dbraw/zinc/45/80/37/938458037.db2.gz JZZWRJZOUAQZFY-HXUWFJFHSA-N 0 3 364.449 3.525 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)c(F)c1 ZINC000161950577 938482709 /nfs/dbraw/zinc/48/27/09/938482709.db2.gz GORYBRLRRDBUSN-GFCCVEGCSA-N 0 3 360.772 3.839 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(Cl)c(F)c1 ZINC000161950577 938482711 /nfs/dbraw/zinc/48/27/11/938482711.db2.gz GORYBRLRRDBUSN-GFCCVEGCSA-N 0 3 360.772 3.839 20 30 FHEDHN CSc1ccc([C@H](CNC(=O)NCC2CCC(C#N)CC2)N(C)C)cc1 ZINC000458738640 938506253 /nfs/dbraw/zinc/50/62/53/938506253.db2.gz QLMKNGROVJWJIO-RJYAGPCLSA-N 0 3 374.554 3.640 20 30 FHEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247968591 938522860 /nfs/dbraw/zinc/52/28/60/938522860.db2.gz FFKTUKILQAMROG-FCHUYYIVSA-N 0 3 374.488 3.701 20 30 FHEDHN CSc1ccc([C@H](CNC(=O)NCC(C)(C)CCC#N)N(C)C)cc1 ZINC000458755274 938527201 /nfs/dbraw/zinc/52/72/01/938527201.db2.gz CKHKGDAQYSBCDX-KRWDZBQOSA-N 0 3 362.543 3.640 20 30 FHEDHN CCCN(C)[C@@H](CNC(=O)N(C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000458765061 938540078 /nfs/dbraw/zinc/54/00/78/938540078.db2.gz JTGSKCXATJLMNA-KRWDZBQOSA-N 0 3 364.921 3.914 20 30 FHEDHN CN(C)CCN(C(=O)N[C@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000458795236 938591169 /nfs/dbraw/zinc/59/11/69/938591169.db2.gz CDQBOIBQVNIWOP-HXUWFJFHSA-N 0 3 356.514 3.937 20 30 FHEDHN CC(C)(NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000507370752 945189912 /nfs/dbraw/zinc/18/99/12/945189912.db2.gz MSXPGJRNPAIVBZ-UHFFFAOYSA-N 0 3 374.406 3.698 20 30 FHEDHN CC[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000278755864 938806980 /nfs/dbraw/zinc/80/69/80/938806980.db2.gz OGPGTHZXFYNWPD-HXUWFJFHSA-N 0 3 351.450 3.752 20 30 FHEDHN N#CCCCCNC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000086393067 938844161 /nfs/dbraw/zinc/84/41/61/938844161.db2.gz GGMIHUVMKMGIAM-UHFFFAOYSA-N 0 3 368.525 3.911 20 30 FHEDHN COc1cc(CNCc2ccc(OCc3ccccn3)cc2)ccc1C#N ZINC000573254587 938892821 /nfs/dbraw/zinc/89/28/21/938892821.db2.gz OFQCWIUSWUAQPW-UHFFFAOYSA-N 0 3 359.429 3.831 20 30 FHEDHN N#CCCn1cc(CN2CC[C@@H](Oc3ccncc3)C2)c(-c2ccccc2)n1 ZINC000093865760 938930819 /nfs/dbraw/zinc/93/08/19/938930819.db2.gz GUICOPSQJSSABB-OAQYLSRUSA-N 0 3 373.460 3.512 20 30 FHEDHN C[C@@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000472327151 938971868 /nfs/dbraw/zinc/97/18/68/938971868.db2.gz LRUITVSBZWJVIB-JJXUHFIVSA-N 0 3 354.425 3.520 20 30 FHEDHN COc1ccc([C@@H](CNc2nccc(C)c2C#N)N2CCCCC2)cc1 ZINC000544069106 938990242 /nfs/dbraw/zinc/99/02/42/938990242.db2.gz MLXLQIRWHJXLIN-HXUWFJFHSA-N 0 3 350.466 3.909 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2ccc(-c3ccccc3)c(C)n2)CC1 ZINC000685678626 939013458 /nfs/dbraw/zinc/01/34/58/939013458.db2.gz BYSNYIGKZZIKGK-UHFFFAOYSA-N 0 3 350.466 3.829 20 30 FHEDHN C=CCN1CCC(NC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)CC1 ZINC000519270432 945263841 /nfs/dbraw/zinc/26/38/41/945263841.db2.gz NJBUQGDHWYHEMX-UHFFFAOYSA-N 0 3 368.477 3.643 20 30 FHEDHN Cc1cc(C(C#N)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc(C)n1 ZINC000437374675 945282963 /nfs/dbraw/zinc/28/29/63/945282963.db2.gz ODKVRBXUSZNBKQ-ZDUSSCGKSA-N 0 3 364.283 3.511 20 30 FHEDHN N#Cc1ccccc1Cn1cccc1CN[C@H]1C[C@H](CO)c2ccccc21 ZINC000364554573 939962758 /nfs/dbraw/zinc/96/27/58/939962758.db2.gz YMPNNLHOZWDVND-XXBNENTESA-N 0 3 357.457 3.719 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCC(CCc3ccc(C)cc3)CC2)CC1 ZINC000519300412 945289218 /nfs/dbraw/zinc/28/92/18/945289218.db2.gz JWHCVUPHTDVZDO-UHFFFAOYSA-N 0 3 369.553 4.000 20 30 FHEDHN Cc1nc(C2CCC2)sc1CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000892494154 940052973 /nfs/dbraw/zinc/05/29/73/940052973.db2.gz ASDOJNUIFMVZSB-INIZCTEOSA-N 0 3 367.474 3.918 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CC[C@H]1CCc2ccccc21 ZINC000892496322 940062438 /nfs/dbraw/zinc/06/24/38/940062438.db2.gz LHQGQFRXNQXGDD-SJLPKXTDSA-N 0 3 362.429 3.853 20 30 FHEDHN CCn1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc2ccccc21 ZINC000065930286 940079181 /nfs/dbraw/zinc/07/91/81/940079181.db2.gz ARWZWOAYJYCRJE-UHFFFAOYSA-N 0 3 374.488 3.737 20 30 FHEDHN Cc1ccccc1OCCN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179891612 940084662 /nfs/dbraw/zinc/08/46/62/940084662.db2.gz UMUPEGDJYQCQNB-UHFFFAOYSA-N 0 3 360.461 3.778 20 30 FHEDHN Cc1nc(COc2ccc(CN(Cc3ccc(C#N)cc3)C3CC3)cc2)no1 ZINC000180030663 940274707 /nfs/dbraw/zinc/27/47/07/940274707.db2.gz OQUIUJOORJCXBW-UHFFFAOYSA-N 0 3 374.444 3.993 20 30 FHEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1c(F)cncc1F ZINC000376108046 940320363 /nfs/dbraw/zinc/32/03/63/940320363.db2.gz ZYLRBQIWJSOJEE-AWEZNQCLSA-N 0 3 356.420 3.547 20 30 FHEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000298790984 945312458 /nfs/dbraw/zinc/31/24/58/945312458.db2.gz YISDOCWRWLVWTH-QWHCGFSZSA-N 0 3 351.376 3.620 20 30 FHEDHN COc1ccc2[nH]cc(C3=CCN(C[C@@H](O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000177710858 940373437 /nfs/dbraw/zinc/37/34/37/940373437.db2.gz KURQHGXBVVWUCX-HSZRJFAPSA-N 0 3 373.456 3.871 20 30 FHEDHN Cc1c2occ(CC(=O)C(C#N)C(=O)NC3CCCC3)c2ccc1Cl ZINC000892530216 940478032 /nfs/dbraw/zinc/47/80/32/940478032.db2.gz KWGSXVWOGLDRDF-HNNXBMFYSA-N 0 3 358.825 3.705 20 30 FHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cn(C)nc1-c1ccccc1 ZINC000581039844 940490976 /nfs/dbraw/zinc/49/09/76/940490976.db2.gz WQEFAKHOMSHPGK-UHFFFAOYSA-N 0 3 360.461 3.607 20 30 FHEDHN COc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000414117122 940607601 /nfs/dbraw/zinc/60/76/01/940607601.db2.gz YQDRYNBSSBVBLE-KKSFZXQISA-N 0 3 363.461 3.722 20 30 FHEDHN COc1cccc([C@H](CNc2nc(C(C)(C)C)ccc2C#N)N(C)C)c1 ZINC000613409322 940683875 /nfs/dbraw/zinc/68/38/75/940683875.db2.gz VBQPJIYYGSSQJT-SFHVURJKSA-N 0 3 352.482 3.974 20 30 FHEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)C1 ZINC000330089744 945351638 /nfs/dbraw/zinc/35/16/38/945351638.db2.gz OYDQUVDBJACFCP-NJDAHSKKSA-N 0 3 371.525 3.530 20 30 FHEDHN N#CCSc1cccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000175948423 940957122 /nfs/dbraw/zinc/95/71/22/940957122.db2.gz WUBZEZKGMGZUPT-LJQANCHMSA-N 0 3 365.502 3.697 20 30 FHEDHN C[C@@H]1OCC[C@H]1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000163643408 941301232 /nfs/dbraw/zinc/30/12/32/941301232.db2.gz OHAOEHTXDXJOLB-DXCKQFNASA-N 0 3 358.488 3.897 20 30 FHEDHN COC(=O)N[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C(C)C ZINC000066729517 941350009 /nfs/dbraw/zinc/35/00/09/941350009.db2.gz YGEYUQSYZDJYBK-GWCFXTLKSA-N 0 3 365.842 3.507 20 30 FHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000181526265 941431171 /nfs/dbraw/zinc/43/11/71/941431171.db2.gz UQZBTWCOAKVRBL-CVEARBPZSA-N 0 3 363.461 3.627 20 30 FHEDHN C=CCN(CCc1ccccc1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000472764596 941712510 /nfs/dbraw/zinc/71/25/10/941712510.db2.gz CQWLNPJMWYYDHV-IBGZPJMESA-N 0 3 350.462 3.638 20 30 FHEDHN CN1CCC(N(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2)CC1 ZINC000614472022 941752251 /nfs/dbraw/zinc/75/22/51/941752251.db2.gz IVSDNNHCAGGUPE-UHFFFAOYSA-N 0 3 353.853 3.953 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000549367943 942062550 /nfs/dbraw/zinc/06/25/50/942062550.db2.gz KSOIHKXOCNFBBF-UHFFFAOYSA-N 0 3 372.694 3.874 20 30 FHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C#N)s1 ZINC000420830416 942216828 /nfs/dbraw/zinc/21/68/28/942216828.db2.gz HZMMQWPZUNKNTB-IBGZPJMESA-N 0 3 370.522 3.576 20 30 FHEDHN C=CCOc1ccc(CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000501129863 942314715 /nfs/dbraw/zinc/31/47/15/942314715.db2.gz IGXKOZJJLLSPAO-NRFANRHFSA-N 0 3 368.521 3.866 20 30 FHEDHN COc1cc(C#N)ccc1CN(Cc1ccccc1)CC1(O)CCCC1 ZINC000501244295 942358476 /nfs/dbraw/zinc/35/84/76/942358476.db2.gz UZSGEUBIYFXKHF-UHFFFAOYSA-N 0 3 350.462 3.874 20 30 FHEDHN CN(C)CCN(CC1CCCCC1)C(=O)CSCc1ccc(C#N)cc1 ZINC000501231830 942361918 /nfs/dbraw/zinc/36/19/18/942361918.db2.gz ZJXCZRRVAFRIQX-UHFFFAOYSA-N 0 3 373.566 3.762 20 30 FHEDHN Cc1ccc(OC[C@H](O)CN2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000502508215 942485304 /nfs/dbraw/zinc/48/53/04/942485304.db2.gz QCJCKFUDOBPCSC-JOCHJYFZSA-N 0 3 362.473 3.704 20 30 FHEDHN C=CCOc1cccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000414543302 942725642 /nfs/dbraw/zinc/72/56/42/942725642.db2.gz SQNYIMXSNNMMFZ-QFIPXVFZSA-N 0 3 367.489 3.871 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cc2cccc(F)c2o1 ZINC000122925573 942737627 /nfs/dbraw/zinc/73/76/27/942737627.db2.gz ZSPRTNDEPKOEFO-GFCCVEGCSA-N 0 3 352.321 3.542 20 30 FHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(OCc2nccn2C)cc1 ZINC000421866705 942853901 /nfs/dbraw/zinc/85/39/01/942853901.db2.gz BLHRANROHFDBCK-CQSZACIVSA-N 0 3 352.463 3.783 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCSC(C)(C)CC1 ZINC000434677644 942863309 /nfs/dbraw/zinc/86/33/09/942863309.db2.gz ZJBSJZNTPLNIPH-HNNXBMFYSA-N 0 3 352.569 3.869 20 30 FHEDHN C=CCOc1ccccc1CN[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000509961949 942920742 /nfs/dbraw/zinc/92/07/42/942920742.db2.gz ARYZRJUXVPVZAB-OAQYLSRUSA-N 0 3 364.489 3.575 20 30 FHEDHN Fc1cc(CNCCOCC(F)(F)C(F)F)cc(C(F)(F)F)c1 ZINC000434790069 942968199 /nfs/dbraw/zinc/96/81/99/942968199.db2.gz QFJPMZMOCDVVEO-UHFFFAOYSA-N 0 3 351.237 3.851 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000473002674 942970510 /nfs/dbraw/zinc/97/05/10/942970510.db2.gz QSBOZEWROCQSLC-QUCCMNQESA-N 0 3 355.526 3.690 20 30 FHEDHN CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(OCC#N)cc3)ccc2NC1=O ZINC000271702659 943037857 /nfs/dbraw/zinc/03/78/57/943037857.db2.gz HVGICGBVNQKULK-LIRRHRJNSA-N 0 3 365.433 3.549 20 30 FHEDHN CCc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000047944024 943117583 /nfs/dbraw/zinc/11/75/83/943117583.db2.gz SHIPVRMGIQQCRJ-IIBYNOLFSA-N 0 3 364.493 3.784 20 30 FHEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccccc3CC#N)cc2)CC1 ZINC000514618367 943153256 /nfs/dbraw/zinc/15/32/56/943153256.db2.gz XUEBNANTJZBKAI-UHFFFAOYSA-N 0 3 362.477 3.535 20 30 FHEDHN CC1(C#N)CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000272492419 943164390 /nfs/dbraw/zinc/16/43/90/943164390.db2.gz CJVDGPGXCKTISY-UHFFFAOYSA-N 0 3 368.250 3.542 20 30 FHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272639788 943190982 /nfs/dbraw/zinc/19/09/82/943190982.db2.gz CCAVTOLTKKLHMS-CABCVRRESA-N 0 3 358.511 3.853 20 30 FHEDHN CCCC[C@H](ON=C(C)C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000272642443 943191907 /nfs/dbraw/zinc/19/19/07/943191907.db2.gz XYGWVDGDTFPHAX-IBGZPJMESA-N 0 3 363.502 3.674 20 30 FHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272710880 943206916 /nfs/dbraw/zinc/20/69/16/943206916.db2.gz KNISULMMKATADG-HUUCEWRRSA-N 0 3 358.511 3.710 20 30 FHEDHN COc1ccc([C@H](CNc2cccc(Cl)c2C#N)N(C)C)cc1OC ZINC000514767805 943278897 /nfs/dbraw/zinc/27/88/97/943278897.db2.gz WCJHBPROWCQYQE-KRWDZBQOSA-N 0 3 359.857 3.944 20 30 FHEDHN C=CCCCC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435300958 943320954 /nfs/dbraw/zinc/32/09/54/943320954.db2.gz WYFRFYKGPPEZOY-IBGZPJMESA-N 0 3 352.482 3.933 20 30 FHEDHN CN1C(=O)C[C@H](NCCC2(C#N)CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000514844995 943326787 /nfs/dbraw/zinc/32/67/87/943326787.db2.gz QLDUWGHWATZSCR-PKOBYXMFSA-N 0 3 361.436 3.690 20 30 FHEDHN COC(=O)[C@@H](C)Oc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425366052 943376145 /nfs/dbraw/zinc/37/61/45/943376145.db2.gz OHHFDLNGKZAGCA-JKSUJKDBSA-N 0 3 352.434 3.692 20 30 FHEDHN CC(C)Oc1ccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)cc1C#N ZINC000435554635 943484257 /nfs/dbraw/zinc/48/42/57/943484257.db2.gz SRMWYHNOSCLFJV-LJQANCHMSA-N 0 3 366.465 3.770 20 30 FHEDHN COC(=O)COc1ccccc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417374288 943544057 /nfs/dbraw/zinc/54/40/57/943544057.db2.gz XWWHJCHRFJIKLH-YWZLYKJASA-N 0 3 364.445 3.838 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000435725642 943582157 /nfs/dbraw/zinc/58/21/57/943582157.db2.gz HUXIBFRBIPBNOX-SJCJKPOMSA-N 0 3 367.280 3.645 20 30 FHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Br)cc(OC)cc1OC ZINC000435752432 943586142 /nfs/dbraw/zinc/58/61/42/943586142.db2.gz XXUXQBMNJQRSME-SJKOYZFVSA-N 0 3 370.287 3.537 20 30 FHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000435735038 943587263 /nfs/dbraw/zinc/58/72/63/943587263.db2.gz ISSAZNGFRDQSPB-YVEFUNNKSA-N 0 3 367.280 3.645 20 30 FHEDHN Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H](N)CCCC#N)s1 ZINC000424068429 943706838 /nfs/dbraw/zinc/70/68/38/943706838.db2.gz SACAZIJEFBURFT-LJQANCHMSA-N 0 3 355.507 3.649 20 30 FHEDHN CCCc1ccc([C@H](NC(=O)[C@H](N)CCCC#N)c2cccs2)cc1 ZINC000424071045 943708672 /nfs/dbraw/zinc/70/86/72/943708672.db2.gz YYBAFXUXHQQQOG-MJGOQNOKSA-N 0 3 355.507 3.927 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000424082985 943721134 /nfs/dbraw/zinc/72/11/34/943721134.db2.gz MMTIJKXXRHIEOT-GFCCVEGCSA-N 0 3 368.384 3.789 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000424146538 943750045 /nfs/dbraw/zinc/75/00/45/943750045.db2.gz WPRICAABXLGAQJ-SFHVURJKSA-N 0 3 357.841 3.879 20 30 FHEDHN COc1ccccc1[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1Cl ZINC000424133578 943759301 /nfs/dbraw/zinc/75/93/01/943759301.db2.gz XMAWTFHBBZDJJU-HKUYNNGSSA-N 0 3 371.868 3.575 20 30 FHEDHN COCCN(CCc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437437900 943815141 /nfs/dbraw/zinc/81/51/41/943815141.db2.gz HRZLOLKXFUDHAH-UHFFFAOYSA-N 0 3 360.404 3.851 20 30 FHEDHN N#CCOc1cccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000077747685 943878744 /nfs/dbraw/zinc/87/87/44/943878744.db2.gz WCXIMLZHOYUMFD-HXUWFJFHSA-N 0 3 364.449 3.548 20 30 FHEDHN C=CCC1(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)CCOCC1 ZINC000424572737 943989420 /nfs/dbraw/zinc/98/94/20/943989420.db2.gz HYRJCNHJQXNXFQ-OAQYLSRUSA-N 0 3 370.537 3.558 20 30 FHEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000437642959 943992777 /nfs/dbraw/zinc/99/27/77/943992777.db2.gz BCGPZWLZBDEGPT-PXNSSMCTSA-N 0 3 364.555 3.866 20 30 FHEDHN C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000436100170 944014797 /nfs/dbraw/zinc/01/47/97/944014797.db2.gz JFZARARQMWHAMX-FRRDWIJNSA-N 0 3 369.387 3.699 20 30 FHEDHN CCN(C(=O)c1cc(C#N)oc1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436134305 944046421 /nfs/dbraw/zinc/04/64/21/944046421.db2.gz DDZVSPWNILUSDP-QAPCUYQASA-N 0 3 351.450 3.757 20 30 FHEDHN N#CCCC[C@@H](NC(=O)NC[C@@H]1NCCc2ccccc21)c1ccccc1 ZINC000418218059 944278018 /nfs/dbraw/zinc/27/80/18/944278018.db2.gz QEJLXKUDZONQIM-RTWAWAEBSA-N 0 3 362.477 3.608 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000425543295 944294186 /nfs/dbraw/zinc/29/41/86/944294186.db2.gz ZDTZNWHZBONYBB-OAHLLOKOSA-N 0 3 350.418 3.595 20 30 FHEDHN Cc1ccc(C[C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000500236679 944316550 /nfs/dbraw/zinc/31/65/50/944316550.db2.gz BMZIYYFHHYLUSN-JOCHJYFZSA-N 0 3 361.489 3.949 20 30 FHEDHN C=CCOc1ccc(CC(=O)N(CCN(C)C)Cc2ccccc2F)cc1 ZINC001125935927 944415902 /nfs/dbraw/zinc/41/59/02/944415902.db2.gz BNDPRTDDVMACCF-UHFFFAOYSA-N 0 3 370.468 3.523 20 30 FHEDHN Cc1cc([C@H]2CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)on1 ZINC000505848513 944425522 /nfs/dbraw/zinc/42/55/22/944425522.db2.gz UPGHEZIOKSSJSB-MRXNPFEDSA-N 0 3 358.829 3.674 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000518510492 944454812 /nfs/dbraw/zinc/45/48/12/944454812.db2.gz RSFHMOMSBSCHIP-KRWDZBQOSA-N 0 3 363.502 3.702 20 30 FHEDHN Cc1oc(C(C)C)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000506202491 944476250 /nfs/dbraw/zinc/47/62/50/944476250.db2.gz IKVQKVAKZIRAKM-UHFFFAOYSA-N 0 3 353.466 3.787 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000047011123 944518406 /nfs/dbraw/zinc/51/84/06/944518406.db2.gz GASQCEXRYQEQDD-UHFFFAOYSA-N 0 3 372.472 3.553 20 30 FHEDHN Cc1cccc(C2=CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000092821952 944540781 /nfs/dbraw/zinc/54/07/81/944540781.db2.gz BBHGTGYHESQKJW-QFIPXVFZSA-N 0 3 362.473 3.590 20 30 FHEDHN CCCC1CCC(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000517736997 944549008 /nfs/dbraw/zinc/54/90/08/944549008.db2.gz GJQGQYDKXKBVDD-UHFFFAOYSA-N 0 3 370.541 3.990 20 30 FHEDHN C[C@H](OC[C@@H](O)CNCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000566673856 944560216 /nfs/dbraw/zinc/56/02/16/944560216.db2.gz CTQRIXSSDHAFDC-UGSOOPFHSA-N 0 3 362.832 3.579 20 30 FHEDHN C=CC[C@@H](CC)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467405934 944656857 /nfs/dbraw/zinc/65/68/57/944656857.db2.gz ODVHNCFJETYCFE-OCCSQVGLSA-N 0 3 358.301 3.612 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000429801367 944730429 /nfs/dbraw/zinc/73/04/29/944730429.db2.gz LXWVJYQWZNFZMD-KGLIPLIRSA-N 0 3 355.507 3.932 20 30 FHEDHN CCN1CCC[C@@H](CN(C)c2ccc(C#N)c(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000509605454 944750977 /nfs/dbraw/zinc/75/09/77/944750977.db2.gz ZAFUHORKIWRIOJ-OXJNMPFZSA-N 0 3 371.916 3.855 20 30 FHEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccccc2)cs1)N(C)CC(F)(F)F ZINC000194890133 944759906 /nfs/dbraw/zinc/75/99/06/944759906.db2.gz OVOKUMGUDSHTSB-DGCLKSJQSA-N 0 3 367.396 3.869 20 30 FHEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C12CCCCC2 ZINC000516376653 944778895 /nfs/dbraw/zinc/77/88/95/944778895.db2.gz KMRVSNQUCIXLRL-AYOQOUSVSA-N 0 3 355.482 3.603 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000518008509 944912875 /nfs/dbraw/zinc/91/28/75/944912875.db2.gz ZZKVCNWWRHVJNU-UHFFFAOYSA-N 0 3 370.266 3.750 20 30 FHEDHN N#Cc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)c(Cl)c1 ZINC000426131030 944974089 /nfs/dbraw/zinc/97/40/89/944974089.db2.gz MTKPMBRCLWCPGB-UHFFFAOYSA-N 0 3 368.868 3.782 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2Cl)N(C)C)cc1 ZINC000426150191 945026721 /nfs/dbraw/zinc/02/67/21/945026721.db2.gz DMZKURULYVTPKS-SFHVURJKSA-N 0 3 356.857 3.945 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C(C)(F)F)cc2)CC1 ZINC000432085328 945028043 /nfs/dbraw/zinc/02/80/43/945028043.db2.gz OKYOZNOQQQVWQS-UHFFFAOYSA-N 0 3 351.441 3.638 20 30 FHEDHN CC(C)CCn1ncc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1C(C)C ZINC000330180998 945391074 /nfs/dbraw/zinc/39/10/74/945391074.db2.gz NRGAPMYNOSHSNW-FUHWJXTLSA-N 0 3 361.534 3.624 20 30 FHEDHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1cccc(Br)c1 ZINC000330250186 945425234 /nfs/dbraw/zinc/42/52/34/945425234.db2.gz GSICNURFZYFZPN-FVQBIDKESA-N 0 3 365.271 3.584 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCSc2ccc(F)cc2)c1 ZINC000127048567 945481779 /nfs/dbraw/zinc/48/17/79/945481779.db2.gz AXRJATLXNXUPKZ-QGZVFWFLSA-N 0 3 372.421 3.664 20 30 FHEDHN Cc1nc(-c2cccs2)sc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125086443 945576929 /nfs/dbraw/zinc/57/69/29/945576929.db2.gz FCHPOTDBFPAAGN-LLVKDONJSA-N 0 3 368.443 3.536 20 30 FHEDHN Cc1ccc([C@H](CN2CCOCC2)N[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000519735096 945698029 /nfs/dbraw/zinc/69/80/29/945698029.db2.gz OLFGMLGDBOFGFX-PKTZIBPZSA-N 0 3 361.489 3.517 20 30 FHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000661115810 945738450 /nfs/dbraw/zinc/73/84/50/945738450.db2.gz FDSGCRKSZNAWRK-HOCLYGCPSA-N 0 3 362.495 3.846 20 30 FHEDHN CCN1CC[C@H](NCc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519830786 945792202 /nfs/dbraw/zinc/79/22/02/945792202.db2.gz AQQOLDDNZGATKS-OALUTQOASA-N 0 3 358.848 3.671 20 30 FHEDHN COc1cc(CNCc2cccc(COCC(F)(F)F)c2)ccc1C#N ZINC000281694568 945815727 /nfs/dbraw/zinc/81/57/27/945815727.db2.gz NGVQJGARELUQPN-UHFFFAOYSA-N 0 3 364.367 3.936 20 30 FHEDHN CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2cccc(C#N)c2)s1 ZINC000444222198 946096552 /nfs/dbraw/zinc/09/65/52/946096552.db2.gz DWHJFNTUSOLKBL-AWEZNQCLSA-N 0 3 356.495 3.907 20 30 FHEDHN N#Cc1ccccc1COc1cccc(CNCc2cccc(CO)c2)c1 ZINC000066905988 946494203 /nfs/dbraw/zinc/49/42/03/946494203.db2.gz VTZUOMWAKKZJTM-UHFFFAOYSA-N 0 3 358.441 3.919 20 30 FHEDHN C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1nc2c(s1)CCCC2 ZINC000093404723 946540257 /nfs/dbraw/zinc/54/02/57/946540257.db2.gz KKKBXSZQSJNGKT-CQSZACIVSA-N 0 3 367.522 3.608 20 30 FHEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000475271433 946805544 /nfs/dbraw/zinc/80/55/44/946805544.db2.gz XFWKJOPJLSMWQN-BBRMVZONSA-N 0 3 363.387 3.631 20 30 FHEDHN C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000125608876 946942147 /nfs/dbraw/zinc/94/21/47/946942147.db2.gz LDCRIOQJYQDPSB-XGHQBKJUSA-N 0 3 362.477 3.581 20 30 FHEDHN Cc1nn(C)c2ncc(C(=O)NCCN3CCC4(CCCCC4)CC3)cc12 ZINC000328703339 946996301 /nfs/dbraw/zinc/99/63/01/946996301.db2.gz KCDYNJUNUGXHCJ-UHFFFAOYSA-N 0 3 369.513 3.628 20 30 FHEDHN COC(=O)c1ccc(N2CCN(CCCCC(C)(C)C#N)[C@H](C)C2)cc1 ZINC000444607278 947033849 /nfs/dbraw/zinc/03/38/49/947033849.db2.gz IHEFTFUQXMGKRN-QGZVFWFLSA-N 0 3 357.498 3.704 20 30 FHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328819419 947037206 /nfs/dbraw/zinc/03/72/06/947037206.db2.gz HIASXSLUKTYBHK-CZUORRHYSA-N 0 3 361.873 3.937 20 30 FHEDHN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000328829324 947053981 /nfs/dbraw/zinc/05/39/81/947053981.db2.gz UCXZFLSMEZEUOJ-HUUCEWRRSA-N 0 3 363.527 3.667 20 30 FHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000444645084 947087303 /nfs/dbraw/zinc/08/73/03/947087303.db2.gz WVFBTAZOKUMSEY-PKOBYXMFSA-N 0 3 371.525 3.874 20 30 FHEDHN C=CC[C@@H]1N(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCCC1(C)C ZINC000444778113 947214114 /nfs/dbraw/zinc/21/41/14/947214114.db2.gz HNGCGNIIUZXJEC-FPOVZHCZSA-N 0 3 369.553 3.696 20 30 FHEDHN COc1ccc(C2(NCc3ccc(CC#N)cc3)CCOCC2)cc1F ZINC000444817456 947252993 /nfs/dbraw/zinc/25/29/93/947252993.db2.gz MCPRUNMPCSIIFG-UHFFFAOYSA-N 0 3 354.425 3.696 20 30 FHEDHN CCCO[C@H]1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000247206819 947264088 /nfs/dbraw/zinc/26/40/88/947264088.db2.gz RJGQMPPHUFRRLW-LSNYBQGISA-N 0 3 363.546 3.587 20 30 FHEDHN CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCCN1CCC[C@H](C)C1 ZINC000331004097 947331225 /nfs/dbraw/zinc/33/12/25/947331225.db2.gz YHDCPSZGXPPUAV-ZDUSSCGKSA-N 0 3 364.559 3.841 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nc(C(C)C)nc2SC)CC1 ZINC000331038437 947334707 /nfs/dbraw/zinc/33/47/07/947334707.db2.gz OQYOIKCJDIDQOW-UHFFFAOYSA-N 0 3 362.543 3.975 20 30 FHEDHN COc1cc(Cl)c(Cl)cc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000331101299 947345687 /nfs/dbraw/zinc/34/56/87/947345687.db2.gz DBAXYSCHGDCKGW-SNVBAGLBSA-N 0 3 358.269 3.978 20 30 FHEDHN Cc1cc(Cl)ccc1C1=CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599620264 947393848 /nfs/dbraw/zinc/39/38/48/947393848.db2.gz TWLAGVFQDXIJMO-IBGZPJMESA-N 0 3 374.912 3.809 20 30 FHEDHN C=C(C)CCNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000459001778 947755314 /nfs/dbraw/zinc/75/53/14/947755314.db2.gz NFNXKUPADKSMES-UHFFFAOYSA-N 0 3 357.420 3.745 20 30 FHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)Cc2c(C)noc2C)cc1 ZINC000128627314 947928856 /nfs/dbraw/zinc/92/88/56/947928856.db2.gz JPHXYXPPHHHFQE-GOSISDBHSA-N 0 3 353.422 3.524 20 30 FHEDHN CN(C)C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000549616387 948072641 /nfs/dbraw/zinc/07/26/41/948072641.db2.gz AXRZERIYTOOSCD-IBGZPJMESA-N 0 3 355.869 3.563 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000106562922 948709030 /nfs/dbraw/zinc/70/90/30/948709030.db2.gz MMNHTXLRNQWUMN-CQSZACIVSA-N 0 3 364.559 3.841 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000047671737 205149355 /nfs/dbraw/zinc/14/93/55/205149355.db2.gz IXSCJVMUNPKQND-UHFFFAOYSA-N 0 3 356.857 3.807 20 30 FHEDHN CC(=O)Nc1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)ccc1F ZINC000121122255 206108729 /nfs/dbraw/zinc/10/87/29/206108729.db2.gz SFZOVBXXUBUELQ-LBPRGKRZSA-N 0 3 365.286 3.688 20 30 FHEDHN C[C@@H]1Cc2ccccc2CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568112595 567888578 /nfs/dbraw/zinc/88/85/78/567888578.db2.gz BHIUJOWWUMSZPR-CQSZACIVSA-N 0 3 353.853 3.987 20 30 FHEDHN C=CC[C@@H](C(=O)NCc1ccccc1OCCN(C)C)c1ccccc1 ZINC000188794182 567890623 /nfs/dbraw/zinc/89/06/23/567890623.db2.gz OXPFCJKJLNUSLX-HXUWFJFHSA-N 0 3 352.478 3.603 20 30 FHEDHN C=CCN1CCC(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000186688273 567969588 /nfs/dbraw/zinc/96/95/88/567969588.db2.gz SRQANVUQMVQUPN-UHFFFAOYSA-N 0 3 366.427 3.795 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000602492138 567986296 /nfs/dbraw/zinc/98/62/96/567986296.db2.gz SDSPGHFZUQLOQI-GOSISDBHSA-N 0 3 373.566 3.789 20 30 FHEDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602515768 567986631 /nfs/dbraw/zinc/98/66/31/567986631.db2.gz ZGGBUYFKUJXVHP-QGZVFWFLSA-N 0 3 366.509 3.737 20 30 FHEDHN CCOc1c(Cl)cc(CN[C@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602517663 567986787 /nfs/dbraw/zinc/98/67/87/567986787.db2.gz IWIMANGTCZISKX-CQSZACIVSA-N 0 3 366.889 3.936 20 30 FHEDHN C[C@@H](NC1CCC(C#N)CC1)c1cc2c(cc1Br)OCCO2 ZINC000602520991 567987306 /nfs/dbraw/zinc/98/73/06/567987306.db2.gz LRYNWDNQEJEFIZ-PNESKVBLSA-N 0 3 365.271 3.953 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000602509175 567989082 /nfs/dbraw/zinc/98/90/82/567989082.db2.gz CKERLJFJPHNCFE-AWEZNQCLSA-N 0 3 364.873 3.690 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000602545493 567990111 /nfs/dbraw/zinc/99/01/11/567990111.db2.gz DJYLLRNCFBLRRZ-AWEZNQCLSA-N 0 3 374.872 3.621 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000602545494 567990161 /nfs/dbraw/zinc/99/01/61/567990161.db2.gz DJYLLRNCFBLRRZ-CQSZACIVSA-N 0 3 374.872 3.621 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccccc1C(F)(F)F ZINC000602540110 567992874 /nfs/dbraw/zinc/99/28/74/567992874.db2.gz VVWWRXXZSKLDLD-AWEZNQCLSA-N 0 3 356.388 3.773 20 30 FHEDHN Cc1cc(C)n(-c2ccccc2CN[C@H](C)CC2(C#N)CCOCC2)n1 ZINC000602571505 567996211 /nfs/dbraw/zinc/99/62/11/567996211.db2.gz XFUYWFNJCFEHDZ-QGZVFWFLSA-N 0 3 352.482 3.678 20 30 FHEDHN C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@H](N)CCCC#N ZINC000602605425 567997063 /nfs/dbraw/zinc/99/70/63/567997063.db2.gz VHBXKUOSXPAUDT-NVXWUHKLSA-N 0 3 353.388 3.564 20 30 FHEDHN CC[C@H](CC#N)N[C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000602613204 567997755 /nfs/dbraw/zinc/99/77/55/567997755.db2.gz UBQTVHCQNAVMRM-IKGGRYGDSA-N 0 3 350.304 3.866 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000602718339 568014937 /nfs/dbraw/zinc/01/49/37/568014937.db2.gz VVSADPJBYAQPAX-WIYYLYMNSA-N 0 3 372.509 3.571 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000481569846 568057442 /nfs/dbraw/zinc/05/74/42/568057442.db2.gz HMOAQAUDQXJXPU-WBVHZDCISA-N 0 3 353.491 3.638 20 30 FHEDHN CCOC(=O)c1[nH]c(C)c(C(=O)C(C#N)c2ccc3ccccc3n2)c1C ZINC000603835727 568159305 /nfs/dbraw/zinc/15/93/05/568159305.db2.gz MANCABPLLCHPQS-OAHLLOKOSA-N 0 3 361.401 3.847 20 30 FHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291440308 568161257 /nfs/dbraw/zinc/16/12/57/568161257.db2.gz GAFSLFPCEWGEHZ-QFBILLFUSA-N 0 3 364.401 3.588 20 30 FHEDHN CN(C)C(=O)[C@H](Cc1ccccc1)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000481898156 568162572 /nfs/dbraw/zinc/16/25/72/568162572.db2.gz AVOQZGPPDPORBU-VXKWHMMOSA-N 0 3 361.489 3.615 20 30 FHEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000568754162 568180234 /nfs/dbraw/zinc/18/02/34/568180234.db2.gz DUECMXJUQUDLQG-PZJWPPBQSA-N 0 3 368.502 3.505 20 30 FHEDHN O=C(NCC#Cc1ccccc1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604164837 568220260 /nfs/dbraw/zinc/22/02/60/568220260.db2.gz PMRJUDNETVTAKH-JOCHJYFZSA-N 0 3 361.489 3.565 20 30 FHEDHN CN(C)CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C1CCCCC1 ZINC000569067948 568270301 /nfs/dbraw/zinc/27/03/01/568270301.db2.gz MZNMACPJSVRGTL-UHFFFAOYSA-N 0 3 366.465 3.550 20 30 FHEDHN C=CCOc1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000604766018 568361932 /nfs/dbraw/zinc/36/19/32/568361932.db2.gz MWNFCDCAQRKWPE-OALUTQOASA-N 0 3 365.395 3.876 20 30 FHEDHN C[C@@]1(c2ccc(F)cc2)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000569542340 568406651 /nfs/dbraw/zinc/40/66/51/568406651.db2.gz UDNVQVKYNYWNGB-LJQANCHMSA-N 0 3 357.454 3.751 20 30 FHEDHN N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000826387439 608311029 /nfs/dbraw/zinc/31/10/29/608311029.db2.gz VJUCKMACKXRMSZ-UHFFFAOYSA-N 0 3 372.457 3.757 20 30 FHEDHN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824761953 608463105 /nfs/dbraw/zinc/46/31/05/608463105.db2.gz DIAFHOQSXDBCRK-HNNXBMFYSA-N 0 3 356.433 3.589 20 30 FHEDHN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824761953 608463107 /nfs/dbraw/zinc/46/31/07/608463107.db2.gz DIAFHOQSXDBCRK-HNNXBMFYSA-N 0 3 356.433 3.589 20 30 FHEDHN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824761953 608463108 /nfs/dbraw/zinc/46/31/08/608463108.db2.gz DIAFHOQSXDBCRK-HNNXBMFYSA-N 0 3 356.433 3.589 20 30 FHEDHN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824761953 608463110 /nfs/dbraw/zinc/46/31/10/608463110.db2.gz DIAFHOQSXDBCRK-HNNXBMFYSA-N 0 3 356.433 3.589 20 30 FHEDHN COC[C@@H]1CCCCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000467119856 936324735 /nfs/dbraw/zinc/32/47/35/936324735.db2.gz SXIDSFHUZYDQLV-WOJBJXKFSA-N 0 3 371.525 3.687 20 30 FHEDHN COC[C@H]1CCCCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000467119853 936324854 /nfs/dbraw/zinc/32/48/54/936324854.db2.gz SXIDSFHUZYDQLV-PMACEKPBSA-N 0 3 371.525 3.687 20 30 FHEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000052075717 937088031 /nfs/dbraw/zinc/08/80/31/937088031.db2.gz PWHSCHOXUVDMHA-FQEVSTJZSA-N 0 3 370.880 3.810 20 30 FHEDHN C#CCOc1ccc(CNCc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000238162936 937103283 /nfs/dbraw/zinc/10/32/83/937103283.db2.gz FJFZJBIFSYPWHB-UHFFFAOYSA-N 0 3 362.473 3.615 20 30 FHEDHN C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1 ZINC000047956438 927096490 /nfs/dbraw/zinc/09/64/90/927096490.db2.gz WOWDTXJQRQMLAF-MAUKXSAKSA-N 0 3 368.506 3.817 20 30 FHEDHN C=CCN1CCC(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)CC1 ZINC000654747661 927258564 /nfs/dbraw/zinc/25/85/64/927258564.db2.gz KESFVYIHGRZUPD-UHFFFAOYSA-N 0 3 366.427 3.894 20 30 FHEDHN C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000186918192 927574901 /nfs/dbraw/zinc/57/49/01/927574901.db2.gz FSRQWIZGOJETRZ-UZLBHIALSA-N 0 3 365.477 3.523 20 30 FHEDHN CCCCOc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000430180899 927601753 /nfs/dbraw/zinc/60/17/53/927601753.db2.gz SPYCRPUEFOOXIO-FQEVSTJZSA-N 0 3 351.450 3.785 20 30 FHEDHN CC(C)Oc1ccc([C@@H](CNc2nccc(C#N)c2Cl)N(C)C)cc1 ZINC000583166274 937198165 /nfs/dbraw/zinc/19/81/65/937198165.db2.gz KVOXNMLWILNCCG-QGZVFWFLSA-N 0 3 358.873 3.531 20 30 FHEDHN C=CCc1cc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)cc(OC)c1O ZINC000657747740 937311728 /nfs/dbraw/zinc/31/17/28/937311728.db2.gz RRMIBSMYHFBMNI-NHCUHLMSSA-N 0 3 355.478 3.977 20 30 FHEDHN CCc1ccc([C@H](COC)NC2CCN(c3ccc(C#N)cc3)CC2)o1 ZINC000560528461 929855613 /nfs/dbraw/zinc/85/56/13/929855613.db2.gz GIBRVLZUMRCJKT-FQEVSTJZSA-N 0 3 353.466 3.660 20 30 FHEDHN C[C@@H](NCc1cnc2ccc(Br)cn12)c1cccc(C#N)c1 ZINC000610344935 930045540 /nfs/dbraw/zinc/04/55/40/930045540.db2.gz NOOTXQSHBPTYGZ-GFCCVEGCSA-N 0 3 355.239 3.819 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000610348941 930065086 /nfs/dbraw/zinc/06/50/86/930065086.db2.gz CZKBNIDURYDECO-CSODHUTKSA-N 0 3 362.477 3.754 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CC1 ZINC000064896718 930204470 /nfs/dbraw/zinc/20/44/70/930204470.db2.gz RYUPUGABJINPJS-UHFFFAOYSA-N 0 3 358.445 3.514 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1ccc(Cl)s1 ZINC000255196564 930525671 /nfs/dbraw/zinc/52/56/71/930525671.db2.gz QLAJNKGFLRWOQH-CLFYSBASSA-N 0 3 373.909 3.877 20 30 FHEDHN Cc1ccc(CNC(=O)C2CCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000047893080 930612297 /nfs/dbraw/zinc/61/22/97/930612297.db2.gz KOHHKDHZGLWETO-UHFFFAOYSA-N 0 3 365.452 3.534 20 30 FHEDHN N#CC(C(=O)CCc1ccoc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000175944695 930656618 /nfs/dbraw/zinc/65/66/18/930656618.db2.gz AREFSWLYSVBVML-LBPRGKRZSA-N 0 3 351.189 3.867 20 30 FHEDHN CCOCCCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944087 930990231 /nfs/dbraw/zinc/99/02/31/930990231.db2.gz QGZVCLLJJLTGHW-IUCAKERBSA-N 0 3 355.269 3.516 20 30 FHEDHN N#Cc1ccc(NC(=O)CCN2CCC=C(c3ccccn3)C2)cc1Cl ZINC000580960363 931414418 /nfs/dbraw/zinc/41/44/18/931414418.db2.gz LKCRZPZZFVTEDJ-UHFFFAOYSA-N 0 3 366.852 3.725 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CSc1ccccc1 ZINC000255277542 931603593 /nfs/dbraw/zinc/60/35/93/931603593.db2.gz FWCKOXFNXSZJPP-QYMJWVLRSA-N 0 3 352.415 3.649 20 30 FHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccnc(OCc2ccccc2)c1 ZINC000121293001 931903929 /nfs/dbraw/zinc/90/39/29/931903929.db2.gz KWXSUCDZOVAARI-IBGZPJMESA-N 0 3 371.396 3.622 20 30 FHEDHN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000581428744 932056682 /nfs/dbraw/zinc/05/66/82/932056682.db2.gz ASPQHJXGOUNWOY-UHFFFAOYSA-N 0 3 373.467 3.517 20 30 FHEDHN CN(CCOCCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000559082721 932642508 /nfs/dbraw/zinc/64/25/08/932642508.db2.gz FTWRDKHEIBPLFY-AWEZNQCLSA-N 0 3 355.301 3.848 20 30 FHEDHN CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000178178743 932761981 /nfs/dbraw/zinc/76/19/81/932761981.db2.gz BNTSPNYEJRHPNQ-UZLBHIALSA-N 0 3 365.477 3.827 20 30 FHEDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000085586497 933062340 /nfs/dbraw/zinc/06/23/40/933062340.db2.gz LCZIHUAREPISDW-MRXNPFEDSA-N 0 3 362.543 3.990 20 30 FHEDHN N#CC(C(=O)C=Cc1cncc(F)c1)c1nc2ccccc2n1C(F)F ZINC000255394211 933123544 /nfs/dbraw/zinc/12/35/44/933123544.db2.gz SYIPCQACFTUPFV-SZZPACECSA-N 0 3 356.307 3.855 20 30 FHEDHN N#Cc1cccc(OCCN2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000430918117 933404497 /nfs/dbraw/zinc/40/44/97/933404497.db2.gz GFXRQSDLVPNLKJ-JOCHJYFZSA-N 0 3 350.462 3.661 20 30 FHEDHN Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1NC(=O)CC[NH+](C)C ZINC000588476263 934514240 /nfs/dbraw/zinc/51/42/40/934514240.db2.gz AISJWCRXUQZSCP-UHFFFAOYSA-N 0 3 359.857 3.995 20 30 FHEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000176230961 934644802 /nfs/dbraw/zinc/64/48/02/934644802.db2.gz URRXIAQUONYVDB-HXUWFJFHSA-N 0 3 372.465 3.602 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@](C)(Cc2ccccc2)C2CC2)CC1 ZINC000458316096 934685231 /nfs/dbraw/zinc/68/52/31/934685231.db2.gz HEGVFRIMFVDDQK-QFIPXVFZSA-N 0 3 355.526 3.738 20 30 FHEDHN C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H](C)CN1 ZINC000415006109 945078489 /nfs/dbraw/zinc/07/84/89/945078489.db2.gz JYUJUZGMRDBOQJ-GJZGRUSLSA-N 0 3 350.422 3.565 20 30 FHEDHN Cc1oc(C#N)cc1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000437158952 945084813 /nfs/dbraw/zinc/08/48/13/945084813.db2.gz BKXMENWDJNHNLF-UHFFFAOYSA-N 0 3 366.465 3.551 20 30 FHEDHN CC(C)OCC[C@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472158218 935234577 /nfs/dbraw/zinc/23/45/77/935234577.db2.gz PZOCYOYKNQCFAC-QFIPXVFZSA-N 0 3 370.468 3.876 20 30 FHEDHN C[C@@H](N[C@H](C)c1ccc2n[nH]cc2c1)C(=O)N(CCC#N)c1ccccc1 ZINC000507263749 945087109 /nfs/dbraw/zinc/08/71/09/945087109.db2.gz CPFXNXFJCRYACX-HZPDHXFCSA-N 0 3 361.449 3.549 20 30 FHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCc2ccc(F)c(F)c2)c1 ZINC000119992287 935428330 /nfs/dbraw/zinc/42/83/30/935428330.db2.gz OOFFAVYAMVPYNP-INIZCTEOSA-N 0 3 356.372 3.944 20 30 FHEDHN N#CC(C(=O)C[C@H]1CCCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000120078650 935544405 /nfs/dbraw/zinc/54/44/05/935544405.db2.gz LSUFXYPDVJIKBP-KGLIPLIRSA-N 0 3 355.221 3.600 20 30 FHEDHN N#CC1(C[C@@H](O)CN2CCC(C(=O)c3ccccc3Cl)CC2)CCC1 ZINC000934418030 935608915 /nfs/dbraw/zinc/60/89/15/935608915.db2.gz PANKZGHJNJUBMP-MRXNPFEDSA-N 0 3 360.885 3.680 20 30 FHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC=C(c3ccco3)C1)CCC2 ZINC000511140863 935776802 /nfs/dbraw/zinc/77/68/02/935776802.db2.gz VDXWVKPUIYJXIV-UHFFFAOYSA-N 0 3 367.474 3.819 20 30 FHEDHN Cc1cc2[nH]c(CN[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2c(C)c1 ZINC000479449606 935838887 /nfs/dbraw/zinc/83/88/87/935838887.db2.gz HLLQRMKRHQQFEX-OAQYLSRUSA-N 0 3 372.472 3.942 20 30 FHEDHN CN(CCCN(C)Cc1cc(Cl)ccc1OCC#N)Cc1ccco1 ZINC000796681542 936066750 /nfs/dbraw/zinc/06/67/50/936066750.db2.gz YFYJJBPNLAVNLJ-UHFFFAOYSA-N 0 3 361.873 3.789 20 30 FHEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000582749184 936068969 /nfs/dbraw/zinc/06/89/69/936068969.db2.gz MDPZEHWRJNROEQ-MRXNPFEDSA-N 0 3 366.465 3.599 20 30 FHEDHN Cc1nccn1-c1ccc(CNCc2cccc(OCCCC#N)c2)cn1 ZINC000237647219 936181692 /nfs/dbraw/zinc/18/16/92/936181692.db2.gz VRLCOBIOBCDCGN-UHFFFAOYSA-N 0 3 361.449 3.548 20 30 FHEDHN COc1cc(CN[C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)ccc1C#N ZINC000516690381 945148334 /nfs/dbraw/zinc/14/83/34/945148334.db2.gz LPMOGZDPDKGYRH-HNNXBMFYSA-N 0 3 366.465 3.948 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000329135492 938263733 /nfs/dbraw/zinc/26/37/33/938263733.db2.gz CGAVNJBYULNENJ-NZSAHSFTSA-N 0 3 367.497 3.686 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000536162028 938482087 /nfs/dbraw/zinc/48/20/87/938482087.db2.gz YCBCSQDLWINQOH-FQEVSTJZSA-N 0 3 359.489 3.925 20 30 FHEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C12CCCC2 ZINC000329569879 938489267 /nfs/dbraw/zinc/48/92/67/938489267.db2.gz IMEMEOAEFWNXRI-MDASCCDHSA-N 0 3 374.481 3.762 20 30 FHEDHN CCCN1CCC[C@@H]1C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000329565702 938489514 /nfs/dbraw/zinc/48/95/14/938489514.db2.gz SOYBYWVXWSZUHC-GOSISDBHSA-N 0 3 358.486 3.659 20 30 FHEDHN CN1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccccc1 ZINC000179013303 938507650 /nfs/dbraw/zinc/50/76/50/938507650.db2.gz LBLGOGPVVUFAMR-PKOBYXMFSA-N 0 3 365.481 3.682 20 30 FHEDHN CCOc1cccc(/C=N\C[C@H]2CN(Cc3ccccc3)CCCO2)c1O ZINC000588592078 938673304 /nfs/dbraw/zinc/67/33/04/938673304.db2.gz AWWNSDSUIUCOQR-FVHJOOJJSA-N 0 3 368.477 3.501 20 30 FHEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC(C)(C)C#N ZINC000278731877 938698442 /nfs/dbraw/zinc/69/84/42/938698442.db2.gz KXLKBDXUTNOJEJ-SFHVURJKSA-N 0 3 365.481 3.517 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000188009562 939016811 /nfs/dbraw/zinc/01/68/11/939016811.db2.gz CTGHWAWHIXXERC-IBGZPJMESA-N 0 3 367.518 3.851 20 30 FHEDHN N#CCC[C@H](C#N)CNC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000612049643 939027324 /nfs/dbraw/zinc/02/73/24/939027324.db2.gz ZIXYYQWTLMJYOB-CQSZACIVSA-N 0 3 365.308 3.991 20 30 FHEDHN CCc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2Cl)N(C)C)cc1 ZINC000506026460 945232485 /nfs/dbraw/zinc/23/24/85/945232485.db2.gz KMJYWHXJVPOXIA-IBGZPJMESA-N 0 3 355.869 3.807 20 30 FHEDHN C=CCN1CCC(NC(=O)NCc2ccccc2Oc2ccccc2)CC1 ZINC000519301589 945290240 /nfs/dbraw/zinc/29/02/40/945290240.db2.gz MFEBDSQZPOXVET-UHFFFAOYSA-N 0 3 365.477 3.929 20 30 FHEDHN N#CC(C(=O)C[C@@H]1CCC2(CCC2)CO1)C(=O)Nc1ccc(Cl)cc1 ZINC000892493159 940044706 /nfs/dbraw/zinc/04/47/06/940044706.db2.gz CGNCUWRERUFEJP-JKSUJKDBSA-N 0 3 360.841 3.727 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000065930944 940078878 /nfs/dbraw/zinc/07/88/78/940078878.db2.gz HPPHLALNFYSPRL-UHFFFAOYSA-N 0 3 372.472 3.553 20 30 FHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892497920 940085461 /nfs/dbraw/zinc/08/54/61/940085461.db2.gz AIIDOXMFVAPWEF-PLKNYFGKSA-N 0 3 366.845 3.801 20 30 FHEDHN N#Cc1cccc(CNC(=O)CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000548934536 940094641 /nfs/dbraw/zinc/09/46/41/940094641.db2.gz ISSQQKSGROQJPP-KOUNCHBCSA-N 0 3 359.473 3.585 20 30 FHEDHN C[C@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000548936548 940113562 /nfs/dbraw/zinc/11/35/62/940113562.db2.gz HNQWNROTWKETIC-AWEZNQCLSA-N 0 3 362.882 3.726 20 30 FHEDHN CC(C)COC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179952747 940155127 /nfs/dbraw/zinc/15/51/27/940155127.db2.gz RPYFEGAQQYBOSD-UHFFFAOYSA-N 0 3 352.482 3.596 20 30 FHEDHN Cc1oc(C#N)cc1C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000376003169 940171428 /nfs/dbraw/zinc/17/14/28/940171428.db2.gz JESBDZYTYDYTTR-RDTXWAMCSA-N 0 3 357.841 3.536 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1 ZINC000660599252 945300992 /nfs/dbraw/zinc/30/09/92/945300992.db2.gz HOSSVDQHVFQUJL-UHFFFAOYSA-N 0 3 356.297 3.833 20 30 FHEDHN Cn1cc(CN2CCC(OC3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180025474 940272701 /nfs/dbraw/zinc/27/27/01/940272701.db2.gz QTBNDJLZUMYRBB-UHFFFAOYSA-N 0 3 364.493 3.882 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)SCC(=O)N3)s1 ZINC000685808677 940284480 /nfs/dbraw/zinc/28/44/80/940284480.db2.gz CVWNQDDEQWSWIS-NSHDSACASA-N 0 3 371.487 3.975 20 30 FHEDHN CC[C@H](C#N)Oc1cc(CNc2ccncc2-c2cccnc2)ccc1OC ZINC000376173960 940416691 /nfs/dbraw/zinc/41/66/91/940416691.db2.gz PWNIWWSIGJFUFE-GOSISDBHSA-N 0 3 374.444 3.867 20 30 FHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000177929884 940485857 /nfs/dbraw/zinc/48/58/57/940485857.db2.gz RHFRKPGENMBYBA-LJQANCHMSA-N 0 3 372.468 3.759 20 30 FHEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000066510518 940594431 /nfs/dbraw/zinc/59/44/31/940594431.db2.gz QXIDUXOPIFKCSE-MLGOLLRUSA-N 0 3 366.383 3.967 20 30 FHEDHN CN(CCN(C)c1ccccc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180126019 940611697 /nfs/dbraw/zinc/61/16/97/940611697.db2.gz BGCJZUKTIONOEJ-UHFFFAOYSA-N 0 3 359.477 3.527 20 30 FHEDHN COc1cc(C#N)ccc1CN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000582574920 940731442 /nfs/dbraw/zinc/73/14/42/940731442.db2.gz PURMBJWWNORBAI-QUCCMNQESA-N 0 3 355.869 3.755 20 30 FHEDHN C=CC[C@H](C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000376340811 940803760 /nfs/dbraw/zinc/80/37/60/940803760.db2.gz MCRYGASFLBYHJO-UNMCSNQZSA-N 0 3 363.505 3.770 20 30 FHEDHN C=CC[C@H](C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000376340809 940803865 /nfs/dbraw/zinc/80/38/65/940803865.db2.gz MCRYGASFLBYHJO-IRLDBZIGSA-N 0 3 363.505 3.770 20 30 FHEDHN N#CCSc1cccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000175570467 940886948 /nfs/dbraw/zinc/88/69/48/940886948.db2.gz LZCDKQPWLDEZKY-HXUWFJFHSA-N 0 3 365.502 3.869 20 30 FHEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)Nc1nc2c(s1)CCCC2 ZINC000330120761 945364623 /nfs/dbraw/zinc/36/46/23/945364623.db2.gz BFPOZFQWDQNCRQ-HIFRSBDPSA-N 0 3 351.516 3.793 20 30 FHEDHN C=CCN(CCc1ccccc1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659029378 941029961 /nfs/dbraw/zinc/02/99/61/941029961.db2.gz HNUDRDISTDQOIP-OAQYLSRUSA-N 0 3 365.477 3.610 20 30 FHEDHN CSc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1F ZINC000158950757 941042131 /nfs/dbraw/zinc/04/21/31/941042131.db2.gz UDNUDFYOMYREKN-UHFFFAOYSA-N 0 3 371.481 3.623 20 30 FHEDHN C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659043295 941044373 /nfs/dbraw/zinc/04/43/73/941044373.db2.gz OCUNTRDWWXNBCS-OAQYLSRUSA-N 0 3 365.477 3.958 20 30 FHEDHN C=CC[C@@H]1N(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CCCC1(C)C ZINC000659044423 941045128 /nfs/dbraw/zinc/04/51/28/941045128.db2.gz UFRCMMBWAGUUIN-OALUTQOASA-N 0 3 357.498 3.946 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)c3ccccc23)CC1 ZINC000180730967 941072003 /nfs/dbraw/zinc/07/20/03/941072003.db2.gz FDNRLNKECXJKJS-UHFFFAOYSA-N 0 3 371.278 3.886 20 30 FHEDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000189491669 941159121 /nfs/dbraw/zinc/15/91/21/941159121.db2.gz GQJRIXZVTGOABR-HUUCEWRRSA-N 0 3 351.541 3.829 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000178553625 941279185 /nfs/dbraw/zinc/27/91/85/941279185.db2.gz HSLOVULDHAVWGL-UHFFFAOYSA-N 0 3 354.429 3.602 20 30 FHEDHN CC(C)(CCC#N)CNC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000376775280 941425233 /nfs/dbraw/zinc/42/52/33/941425233.db2.gz BZHZECZVEDXPOD-UHFFFAOYSA-N 0 3 374.504 3.667 20 30 FHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000181526298 941431187 /nfs/dbraw/zinc/43/11/87/941431187.db2.gz UQZBTWCOAKVRBL-HZPDHXFCSA-N 0 3 363.461 3.627 20 30 FHEDHN C=CCCCCCCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000377007483 941490554 /nfs/dbraw/zinc/49/05/54/941490554.db2.gz OAXZJSRFKYSVAP-UHFFFAOYSA-N 0 3 372.557 3.866 20 30 FHEDHN Cc1ccc(C)c(OC2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000178304126 941554385 /nfs/dbraw/zinc/55/43/85/941554385.db2.gz YUZWSJBJWHCVCN-NRFANRHFSA-N 0 3 350.462 3.752 20 30 FHEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1ccccc1I ZINC000472747870 941668038 /nfs/dbraw/zinc/66/80/38/941668038.db2.gz IBBRFHFRHXGFTC-XJKSGUPXSA-N 0 3 371.262 3.755 20 30 FHEDHN COC(=O)C[C@](C)(NCCC(C)(C)C#N)c1ccc(Br)cc1 ZINC000513161718 941695369 /nfs/dbraw/zinc/69/53/69/941695369.db2.gz UYUOZYCAIHJZLP-KRWDZBQOSA-N 0 3 367.287 3.757 20 30 FHEDHN COc1ccc(CN(C)Cc2ccc(OCC#N)cc2)cc1OC(F)F ZINC000729267370 941705734 /nfs/dbraw/zinc/70/57/34/941705734.db2.gz SMAXUIYTPVUGCS-UHFFFAOYSA-N 0 3 362.376 3.831 20 30 FHEDHN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CCCC2)CC1 ZINC000549248783 941743070 /nfs/dbraw/zinc/74/30/70/941743070.db2.gz XUMDGNQMEDLXRJ-UHFFFAOYSA-N 0 3 365.525 3.894 20 30 FHEDHN CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)N(C)C)cc1 ZINC000513364382 941870437 /nfs/dbraw/zinc/87/04/37/941870437.db2.gz NONFPBHFAHPUQG-HXUWFJFHSA-N 0 3 370.541 3.823 20 30 FHEDHN C[C@@H](N[C@H](C)c1ccc2n[nH]cc2c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000513416904 941913457 /nfs/dbraw/zinc/91/34/57/941913457.db2.gz RLHSFXNKMDTGIG-FMPZLKCCSA-N 0 3 367.497 3.533 20 30 FHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433957328 942016659 /nfs/dbraw/zinc/01/66/59/942016659.db2.gz IQWMWGOLSIJTAX-OAQYLSRUSA-N 0 3 368.525 3.743 20 30 FHEDHN N#Cc1cccc(CNC(=O)CN[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000513561116 942017496 /nfs/dbraw/zinc/01/74/96/942017496.db2.gz UCQAQVLBMGWMOF-HSZRJFAPSA-N 0 3 369.468 3.748 20 30 FHEDHN CCCN(C)[C@H](CNC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000501859212 942093758 /nfs/dbraw/zinc/09/37/58/942093758.db2.gz OTRQGLPDUHWKDH-MRXNPFEDSA-N 0 3 350.894 3.572 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COc2ccc(C)c(C)c2)cc1 ZINC000128382994 942214316 /nfs/dbraw/zinc/21/43/16/942214316.db2.gz VWVSDNXOVFGOED-LJQANCHMSA-N 0 3 350.418 3.592 20 30 FHEDHN N#Cc1ccc(CN(Cc2cccc(CN3CCOCC3)c2)C2CC2)cc1 ZINC000420903297 942246520 /nfs/dbraw/zinc/24/65/20/942246520.db2.gz NYVXMASWWVGVPL-UHFFFAOYSA-N 0 3 361.489 3.555 20 30 FHEDHN N#Cc1cccc(C2(NC(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC2)c1 ZINC000481098962 942335547 /nfs/dbraw/zinc/33/55/47/942335547.db2.gz BLCJVUUEJSHJKR-OAQYLSRUSA-N 0 3 374.488 3.511 20 30 FHEDHN COc1cc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc(OC)c1 ZINC000419843749 942418689 /nfs/dbraw/zinc/41/86/89/942418689.db2.gz YBFWIBDJAJTCIB-CQSZACIVSA-N 0 3 359.451 3.704 20 30 FHEDHN N#Cc1ccc([N+](=O)[O-])c(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000366853589 942457600 /nfs/dbraw/zinc/45/76/00/942457600.db2.gz CDDZKJJHWMTKHY-UHFFFAOYSA-N 0 3 368.359 3.684 20 30 FHEDHN C[C@H]1CN(Cc2ccccc2CNCc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000421323576 942482426 /nfs/dbraw/zinc/48/24/26/942482426.db2.gz ILIFUWNRHRYNEX-IRXDYDNUSA-N 0 3 367.468 3.596 20 30 FHEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)cc1Br ZINC000481137748 942649420 /nfs/dbraw/zinc/64/94/20/942649420.db2.gz HJIFTTYTJBVBPT-YOEHRIQHSA-N 0 3 365.271 3.532 20 30 FHEDHN CC(C)[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000513758432 942802056 /nfs/dbraw/zinc/80/20/56/942802056.db2.gz BUOHSFPHGVOCPR-HXUWFJFHSA-N 0 3 355.869 3.815 20 30 FHEDHN Cc1sc(NC(=O)CN[C@@H](c2ccccc2)[C@H]2CCOC2)c(C#N)c1C ZINC000378504942 942838922 /nfs/dbraw/zinc/83/89/22/942838922.db2.gz CIOIMTNCHBMFLM-LPHOPBHVSA-N 0 3 369.490 3.543 20 30 FHEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000466927075 942862934 /nfs/dbraw/zinc/86/29/34/942862934.db2.gz OJVFPLKSXXHBPJ-IAGOWNOFSA-N 0 3 369.534 3.916 20 30 FHEDHN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCc2ccccc2C1 ZINC000434713047 942875111 /nfs/dbraw/zinc/87/51/11/942875111.db2.gz FPPVDVUNUCFJQO-LJQANCHMSA-N 0 3 365.477 3.976 20 30 FHEDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000421924893 942893663 /nfs/dbraw/zinc/89/36/63/942893663.db2.gz OQSBJYSLVNOFRL-BHIYHBOVSA-N 0 3 370.493 3.728 20 30 FHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(N3CCC(C)CC3)nc2)cc1 ZINC000236678661 942916209 /nfs/dbraw/zinc/91/62/09/942916209.db2.gz JOPKJXYDGVVPIM-SFHVURJKSA-N 0 3 364.493 3.899 20 30 FHEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000421982552 942917261 /nfs/dbraw/zinc/91/72/61/942917261.db2.gz HMHCCJIYGURCRM-QRQLOZEOSA-N 0 3 370.493 3.585 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000664444345 942942635 /nfs/dbraw/zinc/94/26/35/942942635.db2.gz KEWXRDDEKNNRJX-BGYRXZFFSA-N 0 3 368.525 3.852 20 30 FHEDHN C[C@@]1(CCc2ccccc2)CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000434907796 943045076 /nfs/dbraw/zinc/04/50/76/943045076.db2.gz UDEKBHWOTNJYNJ-HSZRJFAPSA-N 0 3 361.489 3.519 20 30 FHEDHN COc1ccc([C@H](CCC#N)N[C@@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000363937925 943101063 /nfs/dbraw/zinc/10/10/63/943101063.db2.gz IZUNBYWMVTVFGQ-APWZRJJASA-N 0 3 370.884 3.957 20 30 FHEDHN CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000503469098 943203693 /nfs/dbraw/zinc/20/36/93/943203693.db2.gz YMMFVUNESSZRKZ-HZUKXOBISA-N 0 3 363.552 3.699 20 30 FHEDHN C=CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1c[nH]c2ccccc12 ZINC001269959626 943419316 /nfs/dbraw/zinc/41/93/16/943419316.db2.gz HVALMDGVJXEFTB-QRQLOZEOSA-N 0 3 351.494 3.598 20 30 FHEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000515043076 943470340 /nfs/dbraw/zinc/47/03/40/943470340.db2.gz KDGLJCXHBDFEOA-BHDDXSALSA-N 0 3 359.473 3.615 20 30 FHEDHN CCC(CC)Nc1ccncc1NC(=O)CSc1ccc(C#N)cc1 ZINC000584748289 943533281 /nfs/dbraw/zinc/53/32/81/943533281.db2.gz IVPCXESYWZWPFR-UHFFFAOYSA-N 0 3 354.479 3.706 20 30 FHEDHN C=CCCc1ccccc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000504264886 943572901 /nfs/dbraw/zinc/57/29/01/943572901.db2.gz LFEAEJSCMBFNKX-UHFFFAOYSA-N 0 3 363.505 3.956 20 30 FHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000435725644 943582349 /nfs/dbraw/zinc/58/23/49/943582349.db2.gz HUXIBFRBIPBNOX-SJKOYZFVSA-N 0 3 367.280 3.645 20 30 FHEDHN N#CCCC[C@H](NCC(=O)NC1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000515279394 943608362 /nfs/dbraw/zinc/60/83/62/943608362.db2.gz CQDJYXMUJRTLSP-YPTCHGKGSA-N 0 3 365.521 3.952 20 30 FHEDHN CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H](N)CCCC#N)n2)cc1 ZINC000424100188 943717895 /nfs/dbraw/zinc/71/78/95/943717895.db2.gz NHKQWKKFDDXTHO-INIZCTEOSA-N 0 3 356.495 3.968 20 30 FHEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000424094947 943729337 /nfs/dbraw/zinc/72/93/37/943729337.db2.gz MNMXGTRPYFROOH-RDTXWAMCSA-N 0 3 355.413 3.816 20 30 FHEDHN COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@H](N)CCCC#N ZINC000424109075 943735444 /nfs/dbraw/zinc/73/54/44/943735444.db2.gz ZFGSBCFGOJHPSU-OAHLLOKOSA-N 0 3 371.412 3.895 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 ZINC000424110652 943737029 /nfs/dbraw/zinc/73/70/29/943737029.db2.gz DDDOYHAWKUHXQV-OAHLLOKOSA-N 0 3 372.469 3.710 20 30 FHEDHN Cc1csc(Sc2ccc(NC(=O)[C@H](N)CCCC#N)c(C)c2)n1 ZINC000424113941 943738466 /nfs/dbraw/zinc/73/84/66/943738466.db2.gz PEGPBPIHXIGUHT-CQSZACIVSA-N 0 3 360.508 3.871 20 30 FHEDHN COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@H](N)CCCC#N ZINC000424121642 943742794 /nfs/dbraw/zinc/74/27/94/943742794.db2.gz ILXDGTZJQFVXAG-HZPDHXFCSA-N 0 3 351.878 3.573 20 30 FHEDHN CC(C)(C)Oc1ccc(CNC(=O)[C@@H](N)CCCC#N)c(C(F)(F)F)c1 ZINC000424122891 943743608 /nfs/dbraw/zinc/74/36/08/943743608.db2.gz JIYVHHPYEMCKMG-HNNXBMFYSA-N 0 3 371.403 3.520 20 30 FHEDHN Cc1ccc(-n2c3ccc(C)cc3nc2NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424124102 943744457 /nfs/dbraw/zinc/74/44/57/943744457.db2.gz LVNSTJCFXUCJMN-QGZVFWFLSA-N 0 3 361.449 3.602 20 30 FHEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000424295887 943825205 /nfs/dbraw/zinc/82/52/05/943825205.db2.gz NRDINLTUQPLGME-IAGOWNOFSA-N 0 3 350.388 3.909 20 30 FHEDHN C=CCOc1ccc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000437469099 943840937 /nfs/dbraw/zinc/84/09/37/943840937.db2.gz GHXLVQSYJMZPSL-IBGZPJMESA-N 0 3 364.489 3.988 20 30 FHEDHN N#Cc1ccc(NC(=O)CCN2CCS[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000437504569 943868468 /nfs/dbraw/zinc/86/84/68/943868468.db2.gz MBPGRSPBRWONCH-DLBZAZTESA-N 0 3 363.914 3.900 20 30 FHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000517030516 943928039 /nfs/dbraw/zinc/92/80/39/943928039.db2.gz XAJRCQJBVLEKDP-QGZVFWFLSA-N 0 3 360.461 3.916 20 30 FHEDHN CCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436134303 944046801 /nfs/dbraw/zinc/04/68/01/944046801.db2.gz DDZVSPWNILUSDP-CRAIPNDOSA-N 0 3 351.450 3.757 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000436307334 944190165 /nfs/dbraw/zinc/19/01/65/944190165.db2.gz RGWYUCKOODBPCX-MUKKUYKPSA-N 0 3 360.889 3.861 20 30 FHEDHN COC(=O)[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)C[C@H]1c1ccc(F)cc1F ZINC000425513094 944190864 /nfs/dbraw/zinc/19/08/64/944190864.db2.gz QZEAIYYROMDRNB-ZNZDAUKMSA-N 0 3 370.399 3.786 20 30 FHEDHN COc1ccc(CN[C@H]2C[C@@H](CO)c3ccccc32)cc1OCCCC#N ZINC000364272830 944196807 /nfs/dbraw/zinc/19/68/07/944196807.db2.gz SDHSXOAAULBNES-PXNSSMCTSA-N 0 3 366.461 3.688 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000517341264 944219348 /nfs/dbraw/zinc/21/93/48/944219348.db2.gz JXWYSALUIAJNNI-PZJWPPBQSA-N 0 3 355.526 3.738 20 30 FHEDHN C=CCCCCCCCCCN1CC[C@H]2C[C@]21C(=O)N(C)CCOC ZINC001280191701 944243405 /nfs/dbraw/zinc/24/34/05/944243405.db2.gz UPYFYKHUVWQOPL-PZJWPPBQSA-N 0 3 350.547 3.862 20 30 FHEDHN CCN(CC)CC#C[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000783410146 944314845 /nfs/dbraw/zinc/31/48/45/944314845.db2.gz NXQSFMOTUKMDLC-GOSISDBHSA-N 0 3 363.457 3.808 20 30 FHEDHN N#CCC[C@@H](C#N)CN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000112203821 944538528 /nfs/dbraw/zinc/53/85/28/944538528.db2.gz LCKRBJYMCLNDLQ-RLQPZKOJSA-N 0 3 354.542 3.654 20 30 FHEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)CSc1ccc(C#N)cc1 ZINC000425619722 944572460 /nfs/dbraw/zinc/57/24/60/944572460.db2.gz HBWGFEGUWMVIKE-GOSISDBHSA-N 0 3 365.502 3.560 20 30 FHEDHN N#Cc1ccc(CN2CCC(CCCN3CCOCC3)CC2)c(Cl)c1 ZINC000439438278 944616965 /nfs/dbraw/zinc/61/69/65/944616965.db2.gz LZFZWFSXMMFCBT-UHFFFAOYSA-N 0 3 361.917 3.536 20 30 FHEDHN C=CC[C@H](CC)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467405932 944656377 /nfs/dbraw/zinc/65/63/77/944656377.db2.gz ODVHNCFJETYCFE-JSGCOSHPSA-N 0 3 358.301 3.612 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2cnccc2Oc2ccccc2)CC1 ZINC000518797653 944791510 /nfs/dbraw/zinc/79/15/10/944791510.db2.gz FIBLZQXUKDHHNN-UHFFFAOYSA-N 0 3 351.450 3.644 20 30 FHEDHN C[C@](C#N)(NC(=O)CN(Cc1ccccc1)[C@H]1CCCC1(C)C)C1CC1 ZINC000426836069 944855268 /nfs/dbraw/zinc/85/52/68/944855268.db2.gz SXQQQFUPDOIINA-SIKLNZKXSA-N 0 3 353.510 3.876 20 30 FHEDHN C=CCN1CCC(NC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000517988488 944898423 /nfs/dbraw/zinc/89/84/23/944898423.db2.gz OJJVAODRDAQPAX-UHFFFAOYSA-N 0 3 357.281 3.529 20 30 FHEDHN C=CCN1CCC(NC(=O)NCc2ccc(-c3csc(C)n3)cc2)CC1 ZINC000518019526 944938269 /nfs/dbraw/zinc/93/82/69/944938269.db2.gz IQSXJGQWCUEFBX-UHFFFAOYSA-N 0 3 370.522 3.568 20 30 FHEDHN COC(=O)c1cc2c(o1)c(OC)ccc2CN(C)Cc1ccc(C#N)cc1 ZINC000507206766 945031446 /nfs/dbraw/zinc/03/14/46/945031446.db2.gz AGFDFEJHKAJPBA-UHFFFAOYSA-N 0 3 364.401 3.732 20 30 FHEDHN C[C@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000330140340 945374254 /nfs/dbraw/zinc/37/42/54/945374254.db2.gz WWVZWAFCKJEIRD-KBXCAEBGSA-N 0 3 352.862 3.588 20 30 FHEDHN Fc1cc(F)c(CNC2CCN(CCC(F)(F)F)CC2)c(F)c1F ZINC000281193401 945551219 /nfs/dbraw/zinc/55/12/19/945551219.db2.gz SHVLYBPNMWGMPP-UHFFFAOYSA-N 0 3 358.301 3.749 20 30 FHEDHN N#CCCn1cc(CN(CCCO)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000093102050 945585915 /nfs/dbraw/zinc/58/59/15/945585915.db2.gz CZRFTJDMHSZREK-UHFFFAOYSA-N 0 3 374.488 3.848 20 30 FHEDHN Cc1ccc(C(C)C)c(OCC(=O)C(C#N)C(=O)NCc2ccccc2)c1 ZINC000126651023 945593349 /nfs/dbraw/zinc/59/33/49/945593349.db2.gz QMUNRMBDMSNCBG-LJQANCHMSA-N 0 3 364.445 3.523 20 30 FHEDHN CC(C)CN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000519744617 945708474 /nfs/dbraw/zinc/70/84/74/945708474.db2.gz SPFUPTCAWZDJEJ-QGZVFWFLSA-N 0 3 367.415 3.570 20 30 FHEDHN C[C@@H]1C[C@H](c2cccc(F)c2)N(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000441337992 946445823 /nfs/dbraw/zinc/44/58/23/946445823.db2.gz KMZAEEWUMBNIES-QFIXIFRTSA-N 0 3 354.425 3.520 20 30 FHEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000441332194 946463652 /nfs/dbraw/zinc/46/36/52/946463652.db2.gz QLKFLQAJHGNLSG-VXKWHMMOSA-N 0 3 361.489 3.751 20 30 FHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)CCC(F)(F)F)sc2C1 ZINC000104677969 946507619 /nfs/dbraw/zinc/50/76/19/946507619.db2.gz AXXJNGYONKQECI-LLVKDONJSA-N 0 3 373.444 3.957 20 30 FHEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000520413068 946558255 /nfs/dbraw/zinc/55/82/55/946558255.db2.gz LVJVEXDGSIXYJP-PKOBYXMFSA-N 0 3 373.359 3.834 20 30 FHEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccncc1 ZINC000136654734 946703030 /nfs/dbraw/zinc/70/30/30/946703030.db2.gz NZWLDPRQFZQXNL-RISCZKNCSA-N 0 3 359.788 3.715 20 30 FHEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475315055 946877056 /nfs/dbraw/zinc/87/70/56/946877056.db2.gz SJYLXEYIRYEXCA-HXUWFJFHSA-N 0 3 367.468 3.803 20 30 FHEDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccc(F)cc2C1 ZINC000184513477 946925280 /nfs/dbraw/zinc/92/52/80/946925280.db2.gz PUJQNUJIBPXVPA-LHSJRXKWSA-N 0 3 351.425 3.841 20 30 FHEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCCOc2ccccc21 ZINC000328667459 946973641 /nfs/dbraw/zinc/97/36/41/946973641.db2.gz DNLDKECZMXLOSR-UYAOXDASSA-N 0 3 365.477 3.678 20 30 FHEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@H](C2CCOCC2)C1 ZINC000328789938 947048535 /nfs/dbraw/zinc/04/85/35/947048535.db2.gz QBSSHZYASDIJFW-WBVHZDCISA-N 0 3 374.481 3.573 20 30 FHEDHN CC(=O)N1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)c2ccccc21 ZINC000328795404 947049759 /nfs/dbraw/zinc/04/97/59/947049759.db2.gz CGPLCWQNMOLAMP-AZUAARDMSA-N 0 3 357.498 3.951 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2sc([C@H]3CCCOC3)nc2C)CC1 ZINC000328798404 947050316 /nfs/dbraw/zinc/05/03/16/947050316.db2.gz GBFXGPGYMPGPRB-HNNXBMFYSA-N 0 3 363.527 3.691 20 30 FHEDHN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000328829323 947054020 /nfs/dbraw/zinc/05/40/20/947054020.db2.gz UCXZFLSMEZEUOJ-CABCVRRESA-N 0 3 363.527 3.667 20 30 FHEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cc(F)cc(F)c1 ZINC000444690095 947114734 /nfs/dbraw/zinc/11/47/34/947114734.db2.gz ISDSJTSGZVGRSU-UHFFFAOYSA-N 0 3 363.795 3.950 20 30 FHEDHN C=CCN1CCC(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CC1 ZINC000330640257 947224379 /nfs/dbraw/zinc/22/43/79/947224379.db2.gz CJINBPFZIQXMBW-UHFFFAOYSA-N 0 3 358.408 3.612 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000126780742 947400996 /nfs/dbraw/zinc/40/09/96/947400996.db2.gz MROPUVVDTXNABA-RHSMWYFYSA-N 0 3 365.880 3.675 20 30 FHEDHN CN(Cc1csc2ccccc12)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000046089620 948139119 /nfs/dbraw/zinc/13/91/19/948139119.db2.gz XHMZLSFWUJOHON-SFHVURJKSA-N 0 3 366.486 3.839 20 30 FHEDHN CC(C)(C#N)c1ccccc1CN(Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718623 948234406 /nfs/dbraw/zinc/23/44/06/948234406.db2.gz PANUJBLBDWWELZ-HSZRJFAPSA-N 0 3 364.489 3.641 20 30 FHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H]2CSC[C@H]2C)c1C#N ZINC000512164631 948595577 /nfs/dbraw/zinc/59/55/77/948595577.db2.gz OMCCBTXKIJRNBW-FZKQIMNGSA-N 0 3 374.554 3.761 20 30 FHEDHN Cc1ccc2[nH]c(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2c1C ZINC000523978813 948736832 /nfs/dbraw/zinc/73/68/32/948736832.db2.gz SQZSUSWFSQCIOG-UHFFFAOYSA-N 0 3 374.488 3.860 20 30 FHEDHN C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000601733991 567820938 /nfs/dbraw/zinc/82/09/38/567820938.db2.gz ATIPROYBZNVJIO-NRFANRHFSA-N 0 3 355.526 3.889 20 30 FHEDHN CCCn1c(C)cc(-c2csc(NC(=O)[C@H](N)CCCCC#N)n2)c1C ZINC000601856931 567852750 /nfs/dbraw/zinc/85/27/50/567852750.db2.gz RBSUWFQHLADSSR-MRXNPFEDSA-N 0 3 373.526 3.988 20 30 FHEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCCC(=O)Nc1ccccc1C#N ZINC000481387140 567882497 /nfs/dbraw/zinc/88/24/97/567882497.db2.gz BCVZVMJELKKDFK-VBKZILBWSA-N 0 3 371.868 3.906 20 30 FHEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967529 567889496 /nfs/dbraw/zinc/88/94/96/567889496.db2.gz GXMQPBNYIRNYPQ-NXEZZACHSA-N 0 3 353.253 3.575 20 30 FHEDHN C=CCOc1c(Br)cc(CNCC(C)(C)OCC)cc1OC ZINC000186540059 567943943 /nfs/dbraw/zinc/94/39/43/567943943.db2.gz PCUDLVMKQUJRMP-UHFFFAOYSA-N 0 3 372.303 3.927 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(N2CCCCCC2)nc1 ZINC000602515721 567986572 /nfs/dbraw/zinc/98/65/72/567986572.db2.gz CNPBGDRCEAPRIW-GOSISDBHSA-N 0 3 356.514 3.651 20 30 FHEDHN N#CC1CCC(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000602508407 567988883 /nfs/dbraw/zinc/98/88/83/567988883.db2.gz BTKWEISDBYCTSR-UHFFFAOYSA-N 0 3 357.767 3.573 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000602513604 567989487 /nfs/dbraw/zinc/98/94/87/567989487.db2.gz PSGUYCLSCLMPNM-GOSISDBHSA-N 0 3 369.509 3.501 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000602578997 567993522 /nfs/dbraw/zinc/99/35/22/567993522.db2.gz QKFIAHUVTIDOHA-WOPDTQHZSA-N 0 3 374.432 3.939 20 30 FHEDHN CN1CC[C@@H](NCC(C)(C)C#N)C[C@H]1c1ccc(Br)cc1 ZINC000602617644 567998152 /nfs/dbraw/zinc/99/81/52/567998152.db2.gz YRTFUQFZTQQVRH-CVEARBPZSA-N 0 3 350.304 3.724 20 30 FHEDHN Cc1ccc(Br)cc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602624408 567998980 /nfs/dbraw/zinc/99/89/80/567998980.db2.gz ASVTYLNKEIUMBL-AWEZNQCLSA-N 0 3 351.288 3.946 20 30 FHEDHN C[C@H](OC[C@@H](O)CNCC#Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000521427687 568018633 /nfs/dbraw/zinc/01/86/33/568018633.db2.gz ONBRWXLZGSMMEX-YWZLYKJASA-N 0 3 361.844 3.559 20 30 FHEDHN CSc1ccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)N(C)C)cc1 ZINC000568319863 568024062 /nfs/dbraw/zinc/02/40/62/568024062.db2.gz XUJWAHDUGGMSQA-HXUWFJFHSA-N 0 3 367.518 3.632 20 30 FHEDHN CCOC(=O)C[C@@](C)(NCc1ccc(C#N)cc1Br)C(C)C ZINC000481716438 568094249 /nfs/dbraw/zinc/09/42/49/568094249.db2.gz GSUBNWFHSUAGEJ-QGZVFWFLSA-N 0 3 367.287 3.778 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCCS(=O)(=O)c1ccccc1 ZINC000481926766 568189110 /nfs/dbraw/zinc/18/91/10/568189110.db2.gz YNHHWUCKTKJVQB-OAQYLSRUSA-N 0 3 368.502 3.779 20 30 FHEDHN Cc1ccc([C@H](C)N(C)C[C@@H](O)COc2ccc(CC#N)cc2)c(C)c1 ZINC000604081568 568209134 /nfs/dbraw/zinc/20/91/34/568209134.db2.gz XFQGREGUJUNXEC-AZUAARDMSA-N 0 3 352.478 3.802 20 30 FHEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000303638360 568268090 /nfs/dbraw/zinc/26/80/90/568268090.db2.gz HHOKNOYEBFHKHV-MMOPVJDHSA-N 0 3 357.473 3.626 20 30 FHEDHN COc1ccc2c(c1)C[C@H](C)N(CCC(=O)Nc1ccc(C#N)cc1)[C@H]2C ZINC000541948045 568272666 /nfs/dbraw/zinc/27/26/66/568272666.db2.gz DUGDLLKOEBUFOF-HOTGVXAUSA-N 0 3 363.461 3.903 20 30 FHEDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C1(CC)CC ZINC000482145115 568285008 /nfs/dbraw/zinc/28/50/08/568285008.db2.gz CPOLVUDXJOPECU-IAGOWNOFSA-N 0 3 363.889 3.724 20 30 FHEDHN N#Cc1cccc(C2(NC(=O)N[C@H](CN3CCCC3)c3ccccc3)CC2)c1 ZINC000570235914 568465055 /nfs/dbraw/zinc/46/50/55/568465055.db2.gz SNTILOBXWTYMQY-OAQYLSRUSA-N 0 3 374.488 3.684 20 30 FHEDHN C[C@H]1CSc2ccccc2CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000365305682 568466263 /nfs/dbraw/zinc/46/62/63/568466263.db2.gz LKKBRNRPXGWLLF-HNAYVOBHSA-N 0 3 361.470 3.764 20 30 FHEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000570612824 568491116 /nfs/dbraw/zinc/49/11/16/568491116.db2.gz VUOFHOAUCBINMX-CQSZACIVSA-N 0 3 352.438 3.851 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(cnn3C(C)C)c2)CC1 ZINC000605042987 568536979 /nfs/dbraw/zinc/53/69/79/568536979.db2.gz SASLACKILUPBQD-UHFFFAOYSA-N 0 3 355.486 3.779 20 30 FHEDHN COc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000050108095 568726977 /nfs/dbraw/zinc/72/69/77/568726977.db2.gz LYPZZFCWWKDHIE-MRXNPFEDSA-N 0 3 370.478 3.587 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC)c1ccsc1 ZINC000050108222 568727733 /nfs/dbraw/zinc/72/77/33/568727733.db2.gz KXJMTODCJZSYJP-KRWDZBQOSA-N 0 3 372.494 3.833 20 30 FHEDHN N#Cc1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164627290 719058315 /nfs/dbraw/zinc/05/83/15/719058315.db2.gz QKYHWXQRQAGPLK-MJGOQNOKSA-N 0 3 352.869 3.707 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(-c3ncco3)c2)CC1 ZINC000162247077 936361460 /nfs/dbraw/zinc/36/14/60/936361460.db2.gz XTYWOXVFUBLEKK-UHFFFAOYSA-N 0 3 354.454 3.812 20 30 FHEDHN N#Cc1ccsc1NC(=O)CCN1CCC(F)(c2ccccc2)CC1 ZINC000583181622 937210970 /nfs/dbraw/zinc/21/09/70/937210970.db2.gz PIDPMUKEQJKKCT-UHFFFAOYSA-N 0 3 357.454 3.909 20 30 FHEDHN C=CCN(CCN1CC[C@H](Sc2ccc(F)cc2)C1)C(=O)OCC ZINC001209021323 929077664 /nfs/dbraw/zinc/07/76/64/929077664.db2.gz XHYSKEKLLSFZMB-KRWDZBQOSA-N 0 3 352.475 3.637 20 30 FHEDHN C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000187212537 929554182 /nfs/dbraw/zinc/55/41/82/929554182.db2.gz ZFTJKUHRBCSWFH-IERDGZPVSA-N 0 3 367.518 3.599 20 30 FHEDHN C=CCOC(=O)N1CCC[C@@]2(CCN(CCc3ccc(F)c(F)c3)C2)C1 ZINC001209240364 929611654 /nfs/dbraw/zinc/61/16/54/929611654.db2.gz WDQDNKSKUZFBEW-FQEVSTJZSA-N 0 3 364.436 3.618 20 30 FHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000275692871 929925242 /nfs/dbraw/zinc/92/52/42/929925242.db2.gz POHPRTIGULIFMW-INIZCTEOSA-N 0 3 358.445 3.842 20 30 FHEDHN C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348817 930062294 /nfs/dbraw/zinc/06/22/94/930062294.db2.gz LETAOXLHCYJTCI-LAUBAEHRSA-N 0 3 362.477 3.583 20 30 FHEDHN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000610350347 930085725 /nfs/dbraw/zinc/08/57/25/930085725.db2.gz SNXUICCFMQYHPA-OXJNMPFZSA-N 0 3 350.466 3.530 20 30 FHEDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000610372056 930178608 /nfs/dbraw/zinc/17/86/08/930178608.db2.gz XENBZRZMPQWTKP-LRQRDZAKSA-N 0 3 368.477 3.867 20 30 FHEDHN C=CCN1CCC(NC(=O)NC2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000471541333 930264831 /nfs/dbraw/zinc/26/48/31/930264831.db2.gz LGVZKGVSNMBYJA-UHFFFAOYSA-N 0 3 368.308 3.932 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\Sc1ccccc1 ZINC000255193536 930482524 /nfs/dbraw/zinc/48/25/24/930482524.db2.gz CLNTZACPVLKHHU-KAMYIIQDSA-N 0 3 365.502 3.754 20 30 FHEDHN C[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000319781476 930858165 /nfs/dbraw/zinc/85/81/65/930858165.db2.gz GURXSWBLKZCSIL-GFCCVEGCSA-N 0 3 373.250 3.943 20 30 FHEDHN Cc1cccc(OCCCCC(=O)C(C#N)C(=O)NCc2ccccc2)c1 ZINC000121253732 931347557 /nfs/dbraw/zinc/34/75/57/931347557.db2.gz QQRKDGNYEWUSTN-HXUWFJFHSA-N 0 3 364.445 3.569 20 30 FHEDHN CC[C@@H](C)N[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccco1 ZINC000581032643 931478472 /nfs/dbraw/zinc/47/84/72/931478472.db2.gz ZLOWJJZGSBDCME-KDOFPFPSSA-N 0 3 369.440 3.568 20 30 FHEDHN C[C@@H]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000610476894 931556939 /nfs/dbraw/zinc/55/69/39/931556939.db2.gz RIQLSHZQUMXVLU-BSLALVQMSA-N 0 3 368.452 3.715 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(-n3cncn3)cc2)s1 ZINC000430589940 931972941 /nfs/dbraw/zinc/97/29/41/931972941.db2.gz JMGGAPDTUPHFAX-AWEZNQCLSA-N 0 3 351.435 3.511 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCc1ccc(C)s1 ZINC000176019810 932488353 /nfs/dbraw/zinc/48/83/53/932488353.db2.gz MVURLRNNHYNADY-OAHLLOKOSA-N 0 3 356.447 3.735 20 30 FHEDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000548212070 932637013 /nfs/dbraw/zinc/63/70/13/932637013.db2.gz WMVGUWZXPJQWIJ-FUHWJXTLSA-N 0 3 369.490 3.847 20 30 FHEDHN Cc1nn(C(C)C)c(C)c1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000891540560 932726106 /nfs/dbraw/zinc/72/61/06/932726106.db2.gz PFWFMCCUMUESBV-UHFFFAOYSA-N 0 3 365.525 3.660 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000471810096 932998645 /nfs/dbraw/zinc/99/86/45/932998645.db2.gz MYZFZMISPPFJAV-XLIONFOSSA-N 0 3 359.489 3.802 20 30 FHEDHN C[C@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)N1CCCCCC1 ZINC000510744574 933617187 /nfs/dbraw/zinc/61/71/87/933617187.db2.gz ADZGWDWASGKMIN-QHGAOEGBSA-N 0 3 369.509 3.629 20 30 FHEDHN COc1cccc([C@H](C/N=C\c2cc(OC)ccc2O)N2CCCC2)c1 ZINC000255416253 934254268 /nfs/dbraw/zinc/25/42/68/934254268.db2.gz MDUCZGKLIVJWDR-ALFKQNEGSA-N 0 3 354.450 3.665 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000119654809 934986607 /nfs/dbraw/zinc/98/66/07/934986607.db2.gz OLKDDJFDLIHENI-UHFFFAOYSA-N 0 3 366.436 3.688 20 30 FHEDHN C[C@H](N[C@@H](C)c1ccc2n[nH]cc2c1)C(=O)N(CCC#N)c1ccccc1 ZINC000507263747 945087004 /nfs/dbraw/zinc/08/70/04/945087004.db2.gz CPFXNXFJCRYACX-HOTGVXAUSA-N 0 3 361.449 3.549 20 30 FHEDHN Cc1c(F)cc(CN2CCC3SC(=O)C=C3C2)cc1Br ZINC001140552004 935277659 /nfs/dbraw/zinc/27/76/59/935277659.db2.gz RANLEOGHGBGQCO-CQSZACIVSA-N 0 3 356.260 3.671 20 30 FHEDHN C=CCCn1cc(CNCC(C)(C)c2cccc(C(F)(F)F)c2)nn1 ZINC000657343582 935292152 /nfs/dbraw/zinc/29/21/52/935292152.db2.gz NLHWUMBTVIKGPS-UHFFFAOYSA-N 0 3 352.404 3.940 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000178550380 935393117 /nfs/dbraw/zinc/39/31/17/935393117.db2.gz QTTWIELBCBENQS-QGZVFWFLSA-N 0 3 362.477 3.995 20 30 FHEDHN CCN1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000091173136 935452455 /nfs/dbraw/zinc/45/24/55/935452455.db2.gz MZLOOYYVTPOFBY-UHFFFAOYSA-N 0 3 364.449 3.910 20 30 FHEDHN CCOc1cccc(/C=N/C2CCN([C@@H](C)c3ccncc3)CC2)c1O ZINC000158273730 935478348 /nfs/dbraw/zinc/47/83/48/935478348.db2.gz SERMACGJACKDLG-PFRBSUFTSA-N 0 3 353.466 3.830 20 30 FHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)C2CCCCC2)c1C#N ZINC000014633003 935479222 /nfs/dbraw/zinc/47/92/22/935479222.db2.gz UGUXHHADGPUWTN-UHFFFAOYSA-N 0 3 368.481 3.821 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(Cl)c1 ZINC000158162495 935605434 /nfs/dbraw/zinc/60/54/34/935605434.db2.gz HRCPCJXTEIIBOJ-UHFFFAOYSA-N 0 3 359.832 3.555 20 30 FHEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000178585367 935763275 /nfs/dbraw/zinc/76/32/75/935763275.db2.gz IUEKUVUMDUZYJN-UHFFFAOYSA-N 0 3 357.502 3.597 20 30 FHEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000611620381 935825364 /nfs/dbraw/zinc/82/53/64/935825364.db2.gz OYVNJDGXRRBVKY-UHFFFAOYSA-N 0 3 367.453 3.549 20 30 FHEDHN CN(CCCCC(C)(C)C#N)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000277694439 935826241 /nfs/dbraw/zinc/82/62/41/935826241.db2.gz LLGBFNOLTUDEDP-UHFFFAOYSA-N 0 3 366.527 3.511 20 30 FHEDHN COc1cc(C#N)ccc1CN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000582574921 935846547 /nfs/dbraw/zinc/84/65/47/935846547.db2.gz PURMBJWWNORBAI-UYAOXDASSA-N 0 3 355.869 3.755 20 30 FHEDHN Cc1oc(NC(=O)[C@@H](C)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c(C#N)c1C ZINC000582663848 935919712 /nfs/dbraw/zinc/91/97/12/935919712.db2.gz IZRAFQVLOFLOQB-DDTOSNHZSA-N 0 3 357.376 3.806 20 30 FHEDHN CSc1ccc(O[C@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000158713877 935936194 /nfs/dbraw/zinc/93/61/94/935936194.db2.gz LRIZXCJWWYKHHY-DYVFJYSZSA-N 0 3 354.431 3.523 20 30 FHEDHN CSc1ccc([C@@H](CNc2nc3c(cc2C#N)CCC3)N(C)C)cc1 ZINC000583487736 938275345 /nfs/dbraw/zinc/27/53/45/938275345.db2.gz DMMZYNDUQIYTGU-LJQANCHMSA-N 0 3 352.507 3.879 20 30 FHEDHN CC(C)(CNC(=O)C1(c2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000187783731 938291833 /nfs/dbraw/zinc/29/18/33/938291833.db2.gz BXFIAPRNHFVCQW-UHFFFAOYSA-N 0 3 373.500 3.543 20 30 FHEDHN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C#N)cc1 ZINC000278328294 938308815 /nfs/dbraw/zinc/30/88/15/938308815.db2.gz VYNHYGJAQPJQBC-HXUWFJFHSA-N 0 3 353.441 3.775 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccccc1F ZINC000052485609 938336428 /nfs/dbraw/zinc/33/64/28/938336428.db2.gz GKCSEZFTOPCENQ-UHFFFAOYSA-N 0 3 360.502 3.924 20 30 FHEDHN N[C@](C(=O)NC[C@H]1CCCCN1C1CC1)(c1cccc(F)c1)C(F)(F)F ZINC000329512178 938459261 /nfs/dbraw/zinc/45/92/61/938459261.db2.gz NKXDLCNIKBAIFL-WBVHZDCISA-N 0 3 373.394 3.515 20 30 FHEDHN Cn1cc(CN2CC(Cc3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611794014 938482622 /nfs/dbraw/zinc/48/26/22/938482622.db2.gz BHTXHXLVWDBOEJ-UHFFFAOYSA-N 0 3 360.436 3.772 20 30 FHEDHN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC[C@@H](C2CC2)C1 ZINC000329643553 938570613 /nfs/dbraw/zinc/57/06/13/938570613.db2.gz IYBLIVNGEYOKJC-NVXWUHKLSA-N 0 3 355.482 3.912 20 30 FHEDHN N#Cc1cccc(C2(NCCC(=O)N[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000584099464 938598213 /nfs/dbraw/zinc/59/82/13/938598213.db2.gz FGHDQFPUMGBIRX-OAQYLSRUSA-N 0 3 359.473 3.721 20 30 FHEDHN Cc1csc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000584151197 938618907 /nfs/dbraw/zinc/61/89/07/938618907.db2.gz JJIWMNSFLXQJIM-DYVFJYSZSA-N 0 3 354.479 3.570 20 30 FHEDHN Cc1csc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000584151196 938619024 /nfs/dbraw/zinc/61/90/24/938619024.db2.gz JJIWMNSFLXQJIM-CXAGYDPISA-N 0 3 354.479 3.570 20 30 FHEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN(CCC(F)(F)F)CC1CC1 ZINC000176816130 938672037 /nfs/dbraw/zinc/67/20/37/938672037.db2.gz PYYUMXZBQGZGAS-UHFFFAOYSA-N 0 3 363.387 3.747 20 30 FHEDHN N#CCCC[C@H](NC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000458799745 938937856 /nfs/dbraw/zinc/93/78/56/938937856.db2.gz KBDMHGGMJJJECM-FQEVSTJZSA-N 0 3 354.498 3.691 20 30 FHEDHN CN1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000413576016 939003604 /nfs/dbraw/zinc/00/36/04/939003604.db2.gz VNHMSEKSCGDTFJ-XZOQPEGZSA-N 0 3 373.500 3.785 20 30 FHEDHN N#CC(C(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1nc(C2CC2)cs1 ZINC000647379433 939084748 /nfs/dbraw/zinc/08/47/48/939084748.db2.gz JWBHLGBRCGHFKM-HZPDHXFCSA-N 0 3 354.431 3.678 20 30 FHEDHN N#CC1(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CCCCC1 ZINC000511828142 945226132 /nfs/dbraw/zinc/22/61/32/945226132.db2.gz DBKYMWHLUJBPHF-XUVXKRRUSA-N 0 3 351.494 3.597 20 30 FHEDHN C=C[C@@H](CC(=O)N(C)CCCN(C)Cc1ccncc1)c1ccccc1 ZINC000518247133 945243028 /nfs/dbraw/zinc/24/30/28/945243028.db2.gz MKYXOFRRAYDEPD-FQEVSTJZSA-N 0 3 351.494 3.722 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000507505486 945285432 /nfs/dbraw/zinc/28/54/32/945285432.db2.gz BJZBFGLRYCKLFB-YOEHRIQHSA-N 0 3 353.853 3.777 20 30 FHEDHN N#Cc1ccccc1Cn1cccc1CN1CCC[C@@H](c2ccncn2)C1 ZINC000364850796 940012739 /nfs/dbraw/zinc/01/27/39/940012739.db2.gz VLRHTCNUOBRTTL-HXUWFJFHSA-N 0 3 357.461 3.578 20 30 FHEDHN N#Cc1cccc(N2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000612830663 940300286 /nfs/dbraw/zinc/30/02/86/940300286.db2.gz UANOQGBKKDVRLL-UHFFFAOYSA-N 0 3 374.410 3.727 20 30 FHEDHN COc1ccc2[nH]cc(C3=CCN(C[C@H](O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000177710846 940373392 /nfs/dbraw/zinc/37/33/92/940373392.db2.gz KURQHGXBVVWUCX-QHCPKHFHSA-N 0 3 373.456 3.871 20 30 FHEDHN CC(=O)N[C@@H](CC(=O)N1CCN(C2CCCCC2)CC1)c1cccs1 ZINC000330092510 945353554 /nfs/dbraw/zinc/35/35/54/945353554.db2.gz YVEVIYBFZZNGMN-KRWDZBQOSA-N 0 3 363.527 3.633 20 30 FHEDHN N#CCSc1cccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000175570495 940886844 /nfs/dbraw/zinc/88/68/44/940886844.db2.gz LZCDKQPWLDEZKY-FQEVSTJZSA-N 0 3 365.502 3.869 20 30 FHEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000170949113 940928043 /nfs/dbraw/zinc/92/80/43/940928043.db2.gz IQLYGDYJPOCIGP-HOTGVXAUSA-N 0 3 353.293 3.864 20 30 FHEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc(SCC#N)c1 ZINC000175937466 940954567 /nfs/dbraw/zinc/95/45/67/940954567.db2.gz SRJLMPPORDWCHH-UHFFFAOYSA-N 0 3 371.481 3.645 20 30 FHEDHN Cc1nc2cc(NC3CCN(Cc4ccc(C#N)cc4)CC3)ccc2n1C ZINC000540982275 941042902 /nfs/dbraw/zinc/04/29/02/941042902.db2.gz XHAFOSYPAFSYBV-UHFFFAOYSA-N 0 3 359.477 3.830 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOc1ccc(F)cc1 ZINC000122143851 941085661 /nfs/dbraw/zinc/08/56/61/941085661.db2.gz SJANVOORCKTJNA-MRXNPFEDSA-N 0 3 351.381 3.748 20 30 FHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188992783 941140817 /nfs/dbraw/zinc/14/08/17/941140817.db2.gz OZTGILFODQIVRS-LJQANCHMSA-N 0 3 373.500 3.713 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(N3CCOC3=O)cc2)c([O-])c1 ZINC000782879456 941147499 /nfs/dbraw/zinc/14/74/99/941147499.db2.gz FSPOGZFBUQDRIX-PXLXIMEGSA-N 0 3 367.449 3.814 20 30 FHEDHN COC(=O)N[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C(C)C ZINC000066729516 941349790 /nfs/dbraw/zinc/34/97/90/941349790.db2.gz YGEYUQSYZDJYBK-MFKMUULPSA-N 0 3 365.842 3.507 20 30 FHEDHN Cc1cc(C#N)ccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000122262486 941362327 /nfs/dbraw/zinc/36/23/27/941362327.db2.gz JZIVYRMIQNVKNY-UHFFFAOYSA-N 0 3 362.477 3.649 20 30 FHEDHN Cn1cc(CNCc2cnccc2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000414500530 941373084 /nfs/dbraw/zinc/37/30/84/941373084.db2.gz QLBYYBIEFDGRFG-UHFFFAOYSA-N 0 3 359.477 3.941 20 30 FHEDHN C=C(C)COc1cc(CNCc2cccc(C(=O)OC)c2)ccc1OC ZINC000580245205 941422491 /nfs/dbraw/zinc/42/24/91/941422491.db2.gz DZZFWMJFQSLXRY-UHFFFAOYSA-N 0 3 355.434 3.727 20 30 FHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C(=O)OC)c(C)c2)c1 ZINC000892973381 941827257 /nfs/dbraw/zinc/82/72/57/941827257.db2.gz QLIZZYVUKUERNR-SFHVURJKSA-N 0 3 352.434 3.752 20 30 FHEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCOC[C@@H](C)C3)sc2C1 ZINC000328672506 941961256 /nfs/dbraw/zinc/96/12/56/941961256.db2.gz IFQPGKYSDUMVJE-KBPBESRZSA-N 0 3 361.511 3.691 20 30 FHEDHN COc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)ccc1OC(F)F ZINC000728713298 941998791 /nfs/dbraw/zinc/99/87/91/941998791.db2.gz YYIJMYQVDMOYPA-CYBMUJFWSA-N 0 3 362.376 3.877 20 30 FHEDHN CN(CCNC(=O)N[C@@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000431855300 942093849 /nfs/dbraw/zinc/09/38/49/942093849.db2.gz AREWFIGPNQTAAU-NRFANRHFSA-N 0 3 364.493 3.853 20 30 FHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000047827165 942289577 /nfs/dbraw/zinc/28/95/77/942289577.db2.gz WTAVTEZGHFXICU-OAHLLOKOSA-N 0 3 366.461 3.996 20 30 FHEDHN C[C@H](CN1CCN(c2cc(C#N)ccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501080887 942299648 /nfs/dbraw/zinc/29/96/48/942299648.db2.gz ZDDCJFKYVYUTQN-OAHLLOKOSA-N 0 3 374.410 3.898 20 30 FHEDHN N#Cc1ccc(OC2CCN(Cc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000513712267 942415162 /nfs/dbraw/zinc/41/51/62/942415162.db2.gz BIGPMLGGWFDOGZ-UHFFFAOYSA-N 0 3 358.445 3.787 20 30 FHEDHN N#Cc1ccccc1OCCN[C@@H]1CCOc2c(Br)cccc21 ZINC000501501937 942512973 /nfs/dbraw/zinc/51/29/73/942512973.db2.gz LYELCQXKSRZQFV-MRXNPFEDSA-N 0 3 373.250 3.813 20 30 FHEDHN N#CC(C(=O)c1cccc2c1OCCCO2)c1cc(C(F)(F)F)ccn1 ZINC000651360716 942642089 /nfs/dbraw/zinc/64/20/89/942642089.db2.gz QRBMUJCNDMIUPM-CYBMUJFWSA-N 0 3 362.307 3.752 20 30 FHEDHN C=CCCO[C@H](C)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000501764227 942666236 /nfs/dbraw/zinc/66/62/36/942666236.db2.gz TXMLGPGXMJPNQE-YLJYHZDGSA-N 0 3 358.526 3.557 20 30 FHEDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000421924899 942893677 /nfs/dbraw/zinc/89/36/77/942893677.db2.gz OQSBJYSLVNOFRL-NEWSRXKRSA-N 0 3 370.493 3.728 20 30 FHEDHN Cc1cc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(C#N)cn1 ZINC000425205656 942982062 /nfs/dbraw/zinc/98/20/62/942982062.db2.gz ILZRERKXVOWYKH-UHFFFAOYSA-N 0 3 374.410 3.993 20 30 FHEDHN C[C@@H]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CCN1Cc1ccccc1 ZINC000434848285 943004456 /nfs/dbraw/zinc/00/44/56/943004456.db2.gz JDQPXRQQNWMQAI-LJQANCHMSA-N 0 3 373.500 3.713 20 30 FHEDHN C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc2c(c1)CCCC2 ZINC000434861600 943014182 /nfs/dbraw/zinc/01/41/82/943014182.db2.gz ARUKIAGEQHMORQ-KUHUBIRLSA-N 0 3 365.502 3.955 20 30 FHEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000505589721 943103704 /nfs/dbraw/zinc/10/37/04/943103704.db2.gz APBBGEBTOPEUBR-IIBYNOLFSA-N 0 3 368.477 3.681 20 30 FHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000514693882 943226449 /nfs/dbraw/zinc/22/64/49/943226449.db2.gz RXOWHINCJJTEAD-UHFFFAOYSA-N 0 3 364.424 3.736 20 30 FHEDHN CN(C)CCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC1 ZINC000505661770 943325223 /nfs/dbraw/zinc/32/52/23/943325223.db2.gz NYJHZOPGHDHMTM-UHFFFAOYSA-N 0 3 367.424 3.656 20 30 FHEDHN CSc1c(F)cccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000435682397 943543621 /nfs/dbraw/zinc/54/36/21/943543621.db2.gz NCNKTCUIEXMGIR-UHFFFAOYSA-N 0 3 371.481 3.623 20 30 FHEDHN COC(=O)COc1ccccc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417374279 943544230 /nfs/dbraw/zinc/54/42/30/943544230.db2.gz XWWHJCHRFJIKLH-FOIQADDNSA-N 0 3 364.445 3.838 20 30 FHEDHN CC(C)Cc1ccc(-c2csc(NC(=O)[C@H](N)CCCC#N)n2)cc1 ZINC000424100191 943717954 /nfs/dbraw/zinc/71/79/54/943717954.db2.gz NHKQWKKFDDXTHO-MRXNPFEDSA-N 0 3 356.495 3.968 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000424087723 943724499 /nfs/dbraw/zinc/72/44/99/943724499.db2.gz FKJLRGFMRPRXMV-ZWKOTPCHSA-N 0 3 359.832 3.706 20 30 FHEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000424094945 943729726 /nfs/dbraw/zinc/72/97/26/943729726.db2.gz MNMXGTRPYFROOH-KSSFIOAISA-N 0 3 355.413 3.816 20 30 FHEDHN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424096479 943730079 /nfs/dbraw/zinc/73/00/79/943730079.db2.gz XZBWMYMBNYZTEL-QGZVFWFLSA-N 0 3 365.437 3.599 20 30 FHEDHN CC(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424110974 943736900 /nfs/dbraw/zinc/73/69/00/943736900.db2.gz DZIDCVHNEWFSAM-HZPDHXFCSA-N 0 3 355.404 3.930 20 30 FHEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424121432 943742264 /nfs/dbraw/zinc/74/22/64/943742264.db2.gz GAJSBOTVKIHOKL-XJKSGUPXSA-N 0 3 356.495 3.625 20 30 FHEDHN Cc1cccc(C)c1OC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424125101 943744348 /nfs/dbraw/zinc/74/43/48/943744348.db2.gz QFWJHLMKKCNXQA-WOJBJXKFSA-N 0 3 365.477 3.561 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000424126516 943744879 /nfs/dbraw/zinc/74/48/79/943744879.db2.gz PEBRGWJXAUCHMW-MSOLQXFVSA-N 0 3 359.832 3.706 20 30 FHEDHN CC(C)[C@@H](CNC(=O)[C@H](N)CCCC#N)Cc1ccc(Cl)cc1Cl ZINC000424135209 943747401 /nfs/dbraw/zinc/74/74/01/943747401.db2.gz JCIFEQPNLHANBT-RHSMWYFYSA-N 0 3 370.324 3.945 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000424137080 943748491 /nfs/dbraw/zinc/74/84/91/943748491.db2.gz LKNCTCBKSCXXKY-KRWDZBQOSA-N 0 3 367.415 3.998 20 30 FHEDHN COc1ccc2c(c1)CN(C(=O)[C@@H](N)CCCC#N)[C@H](C1CCCCC1)C2 ZINC000424134477 943759611 /nfs/dbraw/zinc/75/96/11/943759611.db2.gz KOISNXAFNCPDQS-SFTDATJTSA-N 0 3 369.509 3.550 20 30 FHEDHN C=CCOc1c(Br)cc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000424192196 943779384 /nfs/dbraw/zinc/77/93/84/943779384.db2.gz IQYAIAMLRPKYNU-GXTWGEPZSA-N 0 3 365.271 3.804 20 30 FHEDHN N#Cc1ccc(CN(CCc2ccccc2)[C@@H]2CCOC2)c(OC(F)F)c1 ZINC000437541239 943914716 /nfs/dbraw/zinc/91/47/16/943914716.db2.gz XGFYVHRYTFULKK-LJQANCHMSA-N 0 3 372.415 3.993 20 30 FHEDHN C=CCC1(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CCOCC1 ZINC000424581305 943978599 /nfs/dbraw/zinc/97/85/99/943978599.db2.gz FODPJEFGCHWGNU-KRWDZBQOSA-N 0 3 350.528 3.620 20 30 FHEDHN C=CCC1(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)CCOCC1 ZINC000424572735 943989514 /nfs/dbraw/zinc/98/95/14/943989514.db2.gz HYRJCNHJQXNXFQ-NRFANRHFSA-N 0 3 370.537 3.558 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000133757283 944060255 /nfs/dbraw/zinc/06/02/55/944060255.db2.gz RDKZAFUTMIDLKA-UHFFFAOYSA-N 0 3 374.847 3.946 20 30 FHEDHN Cc1ccc(C[C@@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000500254642 944336894 /nfs/dbraw/zinc/33/68/94/944336894.db2.gz RTUDZYCTCRZETJ-FQEVSTJZSA-N 0 3 353.510 3.687 20 30 FHEDHN CCCN(CCN(C)C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000123714440 944413977 /nfs/dbraw/zinc/41/39/77/944413977.db2.gz UVVNHRVMLPSEQC-UHFFFAOYSA-N 0 3 365.477 3.551 20 30 FHEDHN C=CCN1CCC(NC(=O)c2cc(Oc3ccccc3)ccc2O)CC1 ZINC000436559408 944426470 /nfs/dbraw/zinc/42/64/70/944426470.db2.gz VTBBQTSQYXZYPN-UHFFFAOYSA-N 0 3 352.434 3.565 20 30 FHEDHN C[C@@H](OC[C@H](O)CN(C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000046836066 944456010 /nfs/dbraw/zinc/45/60/10/944456010.db2.gz NQNWGHYGFVRXOW-FOIQADDNSA-N 0 3 358.869 3.782 20 30 FHEDHN Cc1ccc2cc(CN[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2n1 ZINC000437794572 944512628 /nfs/dbraw/zinc/51/26/28/944512628.db2.gz DFPBQDPYVKAKFK-JOCHJYFZSA-N 0 3 370.456 3.700 20 30 FHEDHN C=CCOc1ccccc1CNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000439300343 944516979 /nfs/dbraw/zinc/51/69/79/944516979.db2.gz VAQIQALWXMKTGR-UHFFFAOYSA-N 0 3 373.522 3.586 20 30 FHEDHN Cc1cc(OCC(=O)C(C#N)C(=O)NCc2ccccc2)ccc1C(C)C ZINC000126672558 944535842 /nfs/dbraw/zinc/53/58/42/944535842.db2.gz MXUWXGGEXXKPFQ-FQEVSTJZSA-N 0 3 364.445 3.523 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ccccc2C(C)(C)C)CC1 ZINC000518709036 944636841 /nfs/dbraw/zinc/63/68/41/944636841.db2.gz GQBVCMXBPQRQHP-UHFFFAOYSA-N 0 3 373.541 3.703 20 30 FHEDHN C=CCOc1ccc(CN2CCC(C(=O)OC)(c3ccccc3)CC2)cc1 ZINC000506634805 944828193 /nfs/dbraw/zinc/82/81/93/944828193.db2.gz UBVSNYZPIZAJGK-UHFFFAOYSA-N 0 3 365.473 3.958 20 30 FHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000162786245 944876336 /nfs/dbraw/zinc/87/63/36/944876336.db2.gz DSNNHDYDBPBGNJ-SFHVURJKSA-N 0 3 360.461 3.747 20 30 FHEDHN C[C@@H](c1ccncc1)N1CCC(Nc2cccc(-n3cccn3)c2C#N)CC1 ZINC000578906683 945058032 /nfs/dbraw/zinc/05/80/32/945058032.db2.gz RBGQPRPSASLXKC-KRWDZBQOSA-N 0 3 372.476 3.776 20 30 FHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000440326975 945406517 /nfs/dbraw/zinc/40/65/17/945406517.db2.gz IDRQZTXZOWVQFI-MJGOQNOKSA-N 0 3 372.534 3.929 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000281318948 945597145 /nfs/dbraw/zinc/59/71/45/945597145.db2.gz KAEUMNFDHHPCQF-UHFFFAOYSA-N 0 3 373.653 3.525 20 30 FHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000661115808 945738285 /nfs/dbraw/zinc/73/82/85/945738285.db2.gz FDSGCRKSZNAWRK-GOEBONIOSA-N 0 3 362.495 3.846 20 30 FHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(-c2ccc(OC)cc2OC)no1 ZINC000661116374 945749028 /nfs/dbraw/zinc/74/90/28/945749028.db2.gz JIQSEXPKWUVFCZ-RHSMWYFYSA-N 0 3 357.454 3.978 20 30 FHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000661117382 945750073 /nfs/dbraw/zinc/75/00/73/945750073.db2.gz QMAGWPRGNRHRBH-DZGCQCFKSA-N 0 3 357.454 3.577 20 30 FHEDHN COc1ccc(C#N)cc1CN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519850045 945818452 /nfs/dbraw/zinc/81/84/52/945818452.db2.gz LJPPLSJNIRFKFO-QUCCMNQESA-N 0 3 373.859 3.894 20 30 FHEDHN C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000120513330 945886543 /nfs/dbraw/zinc/88/65/43/945886543.db2.gz BHEOPPUJWPDOLL-HXUWFJFHSA-N 0 3 365.477 3.510 20 30 FHEDHN Cn1cc(CN2CC[C@@]3(C2)OCc2ccccc23)c(-c2ccc(C#N)cc2)n1 ZINC000186437699 945912958 /nfs/dbraw/zinc/91/29/58/945912958.db2.gz DDGGEFRABLMFHN-QHCPKHFHSA-N 0 3 370.456 3.590 20 30 FHEDHN N#Cc1ccc(Oc2ccc(NC(=O)NCCN3CCCCC3)cc2)cc1 ZINC000519989067 946001301 /nfs/dbraw/zinc/00/13/01/946001301.db2.gz ZJZDZYKLEHGXRF-UHFFFAOYSA-N 0 3 364.449 3.958 20 30 FHEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)C1 ZINC000661382180 946049082 /nfs/dbraw/zinc/04/90/82/946049082.db2.gz UBFIICRIABJQPY-MJGOQNOKSA-N 0 3 372.509 3.655 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)NCC1CCC(C#N)CC1)c1ccsc1 ZINC000441012849 946115063 /nfs/dbraw/zinc/11/50/63/946115063.db2.gz SNAPBEXMTZYKGQ-HTWSVDAQSA-N 0 3 362.543 3.760 20 30 FHEDHN N#Cc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccn1 ZINC000522966497 946173457 /nfs/dbraw/zinc/17/34/57/946173457.db2.gz KUUUXSMRSCYLBZ-UHFFFAOYSA-N 0 3 354.457 3.865 20 30 FHEDHN CC(C)CN(Cc1ccccc1F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000520172444 946228189 /nfs/dbraw/zinc/22/81/89/946228189.db2.gz IJNMRGHALMDNSH-IBGZPJMESA-N 0 3 356.441 3.595 20 30 FHEDHN COc1ccc(CN(Cc2cc(C#N)n(C)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000520259070 946310976 /nfs/dbraw/zinc/31/09/76/946310976.db2.gz SWJNMOUJRIKFEZ-OAHLLOKOSA-N 0 3 353.466 3.715 20 30 FHEDHN C[C@H]1[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCN1Cc1ccccc1 ZINC000520274165 946329680 /nfs/dbraw/zinc/32/96/80/946329680.db2.gz AFZFMIZFZOKLCW-UWJYYQICSA-N 0 3 361.489 3.881 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC1 ZINC000093366632 946352068 /nfs/dbraw/zinc/35/20/68/946352068.db2.gz DZPLNLYQCTWQQM-UHFFFAOYSA-N 0 3 360.457 3.572 20 30 FHEDHN COc1ccc(C[NH2+]CC2CCC(C#N)CC2)c(Br)c1[O-] ZINC000441360906 946486191 /nfs/dbraw/zinc/48/61/91/946486191.db2.gz SIKIMVDCSAIPNN-UHFFFAOYSA-N 0 3 353.260 3.583 20 30 FHEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc2cnccc21 ZINC000823914631 946516060 /nfs/dbraw/zinc/51/60/60/946516060.db2.gz KDZZOFUIEQQCCT-UHFFFAOYSA-N 0 3 356.433 3.603 20 30 FHEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc2cnccc21 ZINC000823914631 946516067 /nfs/dbraw/zinc/51/60/67/946516067.db2.gz KDZZOFUIEQQCCT-UHFFFAOYSA-N 0 3 356.433 3.603 20 30 FHEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)o2)CC1 ZINC000456789086 946678323 /nfs/dbraw/zinc/67/83/23/946678323.db2.gz IWTSKBTYUHUWCD-UHFFFAOYSA-N 0 3 359.813 3.530 20 30 FHEDHN C=CCC1(NCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CCCC1 ZINC000661851190 946758460 /nfs/dbraw/zinc/75/84/60/946758460.db2.gz NKWUUXGCSUGMOB-UHFFFAOYSA-N 0 3 373.453 3.741 20 30 FHEDHN C=CCC1(NCc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CCCC1 ZINC000661852354 946760169 /nfs/dbraw/zinc/76/01/69/946760169.db2.gz SBISNCSRDYGNSD-UHFFFAOYSA-N 0 3 360.479 3.724 20 30 FHEDHN CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2)c2ccc(F)cc2C1 ZINC000184513494 946925217 /nfs/dbraw/zinc/92/52/17/946925217.db2.gz PUJQNUJIBPXVPA-SPLOXXLWSA-N 0 3 351.425 3.841 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCCc3occc32)C1 ZINC000328661768 946971017 /nfs/dbraw/zinc/97/10/17/946971017.db2.gz ALAIQYKFJTXOGJ-AYBZRNKSSA-N 0 3 353.466 3.996 20 30 FHEDHN C=CCN(Cc1ccc2ccccc2n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000523021282 946976540 /nfs/dbraw/zinc/97/65/40/946976540.db2.gz ZSEIKJFJHSGWDS-QGZVFWFLSA-N 0 3 370.460 3.960 20 30 FHEDHN N#Cc1ccccc1NC(=O)CCN1CCS[C@H](c2ccccc2)C1 ZINC000609800486 947006943 /nfs/dbraw/zinc/00/69/43/947006943.db2.gz JPOSOWAUVWYHOD-IBGZPJMESA-N 0 3 351.475 3.677 20 30 FHEDHN C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@@H](C2CCOCC2)C1 ZINC000328838120 947058493 /nfs/dbraw/zinc/05/84/93/947058493.db2.gz NHUUIULXRXEQSQ-NVXWUHKLSA-N 0 3 353.466 3.960 20 30 FHEDHN N#Cc1ccc(N2CCC[C@@H](NC/C=C\c3ccc(F)c(F)c3)C2=O)cc1 ZINC000511955572 947140200 /nfs/dbraw/zinc/14/02/00/947140200.db2.gz PGAABJSMRHTLBA-WPGQCCQLSA-N 0 3 367.399 3.635 20 30 FHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000444745893 947182574 /nfs/dbraw/zinc/18/25/74/947182574.db2.gz UAXMZZNRLXTJNF-GDZNZVCISA-N 0 3 366.303 3.543 20 30 FHEDHN C[C@H]1CCCN(CCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330549099 947205417 /nfs/dbraw/zinc/20/54/17/947205417.db2.gz RBWWCVGSXCGRBO-LBPRGKRZSA-N 0 3 360.424 3.693 20 30 FHEDHN C[C@@H]1CCCCN1CCNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330531014 947211744 /nfs/dbraw/zinc/21/17/44/947211744.db2.gz GODAACMHTJXFMV-GFCCVEGCSA-N 0 3 360.424 3.836 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000662080879 947215184 /nfs/dbraw/zinc/21/51/84/947215184.db2.gz NDJJUXFWEROXGZ-FUHIMQAGSA-N 0 3 370.493 3.550 20 30 FHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000245848133 947224071 /nfs/dbraw/zinc/22/40/71/947224071.db2.gz LTHQTKQCIZGYQZ-WIYYLYMNSA-N 0 3 364.493 3.851 20 30 FHEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccccc3)c3ccccc32)CC1 ZINC000445090176 947503573 /nfs/dbraw/zinc/50/35/73/947503573.db2.gz JDDDGDSKIMFKRE-OAQYLSRUSA-N 0 3 361.489 3.999 20 30 FHEDHN CC(C)[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CCN1C ZINC000440664186 947534986 /nfs/dbraw/zinc/53/49/86/947534986.db2.gz XJZJYOVRSRGWRM-INIZCTEOSA-N 0 3 373.298 3.645 20 30 FHEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000125731547 947567678 /nfs/dbraw/zinc/56/76/78/947567678.db2.gz CZHJVICCSALQGC-OAHLLOKOSA-N 0 3 373.478 3.659 20 30 FHEDHN CCN(C(=O)Nc1cccc(C#N)c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184573764 947660553 /nfs/dbraw/zinc/66/05/53/947660553.db2.gz NKPHDZRKJXVGIG-FQEVSTJZSA-N 0 3 362.477 3.995 20 30 FHEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cccc(F)c1OC)[C@H]2CC ZINC001143525100 947864970 /nfs/dbraw/zinc/86/49/70/947864970.db2.gz YDRWYDJAIIZKMR-RXVVDRJESA-N 0 3 360.473 3.756 20 30 FHEDHN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000441486032 947968350 /nfs/dbraw/zinc/96/83/50/947968350.db2.gz MIEJUPANPYMPPJ-QXAKKESOSA-N 0 3 366.465 3.634 20 30 FHEDHN Cc1cccc2cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)oc21 ZINC000141499562 948270078 /nfs/dbraw/zinc/27/00/78/948270078.db2.gz CDXRWYULGMNZIZ-UHFFFAOYSA-N 0 3 361.445 3.817 20 30 FHEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178542829 948558887 /nfs/dbraw/zinc/55/88/87/948558887.db2.gz WRAZNKSRMWSROJ-QGZVFWFLSA-N 0 3 357.498 3.929 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2OCC(C)C)CC1 ZINC000520693746 948596400 /nfs/dbraw/zinc/59/64/00/948596400.db2.gz QLSXAQRZFSSUPP-UHFFFAOYSA-N 0 3 359.514 3.561 20 30 FHEDHN N#Cc1cccc(OCCN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000051560295 205184223 /nfs/dbraw/zinc/18/42/23/205184223.db2.gz LXDHWURPPUFEDI-LJQANCHMSA-N 0 3 350.418 3.545 20 30 FHEDHN CCCn1c(C)cc(-c2csc(NC(=O)[C@@H](N)CCCC#N)n2)c1C ZINC000601855071 567852528 /nfs/dbraw/zinc/85/25/28/567852528.db2.gz GKNKIWFXEJXONE-HNNXBMFYSA-N 0 3 359.499 3.598 20 30 FHEDHN N#Cc1ccc(OCCN2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091888822 567884205 /nfs/dbraw/zinc/88/42/05/567884205.db2.gz OKCOTKLLQQXGFI-UHFFFAOYSA-N 0 3 354.425 3.757 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000602515862 567986662 /nfs/dbraw/zinc/98/66/62/567986662.db2.gz DKRBFBQIUFQTKA-GOSISDBHSA-N 0 3 356.514 3.506 20 30 FHEDHN C[C@H](NC1CCC(C#N)CC1)c1cc2c(cc1Br)OCCO2 ZINC000602520990 567987294 /nfs/dbraw/zinc/98/72/94/567987294.db2.gz LRYNWDNQEJEFIZ-HIFPTAJRSA-N 0 3 365.271 3.953 20 30 FHEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000602529405 567988172 /nfs/dbraw/zinc/98/81/72/567988172.db2.gz UTOWFEYQOQCALK-NSHDSACASA-N 0 3 362.630 3.591 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000602508861 567988926 /nfs/dbraw/zinc/98/89/26/567988926.db2.gz BXANDPDSLVYWLU-INIZCTEOSA-N 0 3 355.482 3.614 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccnc(N2CCCCCC2)c1 ZINC000602564063 567995404 /nfs/dbraw/zinc/99/54/04/567995404.db2.gz KRXDOOIUCUETEZ-GOSISDBHSA-N 0 3 356.514 3.651 20 30 FHEDHN COCCCOc1cc(C)ccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602574823 567996473 /nfs/dbraw/zinc/99/64/73/567996473.db2.gz DLQPKFCMMBUGLJ-GOSISDBHSA-N 0 3 360.498 3.599 20 30 FHEDHN CC[C@H](CC#N)N[C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000602613208 567997759 /nfs/dbraw/zinc/99/77/59/567997759.db2.gz UBQTVHCQNAVMRM-ZACQAIPSSA-N 0 3 350.304 3.866 20 30 FHEDHN C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@H](N)CCCCC#N ZINC000602605512 567997087 /nfs/dbraw/zinc/99/70/87/567997087.db2.gz WCBGOESZTJLZMO-SJLPKXTDSA-N 0 3 367.415 3.954 20 30 FHEDHN C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000602605510 567997091 /nfs/dbraw/zinc/99/70/91/567997091.db2.gz WCBGOESZTJLZMO-FUHWJXTLSA-N 0 3 367.415 3.954 20 30 FHEDHN COc1ccccc1[C@H](CN[C@@H](C)CC1(C#N)CCOCC1)OC(C)C ZINC000602620625 567998576 /nfs/dbraw/zinc/99/85/76/567998576.db2.gz YOPDAZVLNIBZGL-PXNSSMCTSA-N 0 3 360.498 3.850 20 30 FHEDHN C[C@@H](CCC#N)CN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000602661559 568012465 /nfs/dbraw/zinc/01/24/65/568012465.db2.gz FHAVMPJGRKYUET-AWEZNQCLSA-N 0 3 365.275 3.681 20 30 FHEDHN CN1CC[C@@H](NCC2(C#N)CCC2)C[C@H]1c1ccc(Br)cc1 ZINC000602697159 568016454 /nfs/dbraw/zinc/01/64/54/568016454.db2.gz IOPSNQVQLYQDNI-SJORKVTESA-N 0 3 362.315 3.868 20 30 FHEDHN N#CCCCOc1cccc(CN2CC[C@H](OCc3ccccn3)C2)c1 ZINC000602714393 568019644 /nfs/dbraw/zinc/01/96/44/568019644.db2.gz INGABAUTPTXJHZ-NRFANRHFSA-N 0 3 351.450 3.555 20 30 FHEDHN CC(C)[C@@H](N)c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603178009 568068273 /nfs/dbraw/zinc/06/82/73/568068273.db2.gz ICWZOKKAQUWTJY-OAQYLSRUSA-N 0 3 359.477 3.834 20 30 FHEDHN CC(C)(COc1ncccc1C(F)(F)F)NCc1cc(C#N)cs1 ZINC000120380323 568068316 /nfs/dbraw/zinc/06/83/16/568068316.db2.gz PYWFOLVATINSFA-UHFFFAOYSA-N 0 3 355.385 3.981 20 30 FHEDHN CCOC(=O)C[C@](C)(NCc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000481716711 568093872 /nfs/dbraw/zinc/09/38/72/568093872.db2.gz HCXGRZKENOTYDP-SFHVURJKSA-N 0 3 354.397 3.617 20 30 FHEDHN CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1ccc(C(F)(F)F)cc1 ZINC000568632226 568101052 /nfs/dbraw/zinc/10/10/52/568101052.db2.gz MKQVYHSKPXMZCO-UHFFFAOYSA-N 0 3 373.382 3.687 20 30 FHEDHN CCN(C[C@@H](O)COc1ccc(CC#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000604314990 568245853 /nfs/dbraw/zinc/24/58/53/568245853.db2.gz OFTXTWAOFFANSW-YLJYHZDGSA-N 0 3 368.477 3.584 20 30 FHEDHN COc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2OC)c(C)c1OC ZINC000568916368 568252134 /nfs/dbraw/zinc/25/21/34/568252134.db2.gz WLIMYPHCVQSEME-OAHLLOKOSA-N 0 3 370.449 3.622 20 30 FHEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000303638361 568268101 /nfs/dbraw/zinc/26/81/01/568268101.db2.gz HHOKNOYEBFHKHV-PLMTUMEDSA-N 0 3 357.473 3.626 20 30 FHEDHN C=CCOc1ccc(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc1OC ZINC000604365299 568272416 /nfs/dbraw/zinc/27/24/16/568272416.db2.gz YSIXBOIZRWSHFC-UHFFFAOYSA-N 0 3 372.509 3.597 20 30 FHEDHN CC[C@@H](C)N[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccco1 ZINC000569040841 568278353 /nfs/dbraw/zinc/27/83/53/568278353.db2.gz JYGJSCDBAPCAAE-QAPCUYQASA-N 0 3 371.506 3.630 20 30 FHEDHN CC(C)CN(Cc1ccccc1F)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604500663 568301691 /nfs/dbraw/zinc/30/16/91/568301691.db2.gz BQFVROPXJCSQRD-HXUWFJFHSA-N 0 3 370.468 3.790 20 30 FHEDHN N#CC(C(=O)c1cnn2ccccc12)c1nc2ccccc2n1C(F)F ZINC000604929683 568397924 /nfs/dbraw/zinc/39/79/24/568397924.db2.gz NDKYMKJFLHQJGG-NSHDSACASA-N 0 3 351.316 3.569 20 30 FHEDHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1c1cc(C#N)ncn1 ZINC000570023530 568441167 /nfs/dbraw/zinc/44/11/67/568441167.db2.gz LQGUVQYXZYMEQV-NRFANRHFSA-N 0 3 363.509 3.518 20 30 FHEDHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1c1cc(C#N)ncn1 ZINC000570023531 568441209 /nfs/dbraw/zinc/44/12/09/568441209.db2.gz LQGUVQYXZYMEQV-OAQYLSRUSA-N 0 3 363.509 3.518 20 30 FHEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(OCC(F)(F)F)cc1 ZINC000570871568 568576637 /nfs/dbraw/zinc/57/66/37/568576637.db2.gz HTQXVKSDPDPQTI-ZDUSSCGKSA-N 0 3 374.366 3.998 20 30 FHEDHN COc1ccc([C@@H]2CCCN2CCOc2ccccc2C#N)cc1OC ZINC000050068717 568684502 /nfs/dbraw/zinc/68/45/02/568684502.db2.gz SGJUPABRVBZCKO-SFHVURJKSA-N 0 3 352.434 3.791 20 30 FHEDHN CN1CC[C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1cccs1 ZINC000365452073 568716341 /nfs/dbraw/zinc/71/63/41/568716341.db2.gz CFIIXZFEPAKIFD-YVEFUNNKSA-N 0 3 358.442 3.573 20 30 FHEDHN CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)cc1 ZINC000328602310 571323765 /nfs/dbraw/zinc/32/37/65/571323765.db2.gz BAPBJBKMYKVBFM-UGKGYDQZSA-N 0 3 350.462 3.945 20 30 FHEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735832328 598683283 /nfs/dbraw/zinc/68/32/83/598683283.db2.gz ZRPDVZUHSUVWEP-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735832328 598683285 /nfs/dbraw/zinc/68/32/85/598683285.db2.gz ZRPDVZUHSUVWEP-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735832328 598683286 /nfs/dbraw/zinc/68/32/86/598683286.db2.gz ZRPDVZUHSUVWEP-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735832328 598683287 /nfs/dbraw/zinc/68/32/87/598683287.db2.gz ZRPDVZUHSUVWEP-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)c(C#N)c1 ZINC000820087304 606965078 /nfs/dbraw/zinc/96/50/78/606965078.db2.gz PFKOASOGAQAHRS-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)c(C#N)c1 ZINC000820087304 606965079 /nfs/dbraw/zinc/96/50/79/606965079.db2.gz PFKOASOGAQAHRS-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(F)c(C#N)c1 ZINC000820087304 606965080 /nfs/dbraw/zinc/96/50/80/606965080.db2.gz PFKOASOGAQAHRS-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(F)c(C#N)c1 ZINC000820087304 606965081 /nfs/dbraw/zinc/96/50/81/606965081.db2.gz PFKOASOGAQAHRS-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN N#CCc1ccnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164994413 722204973 /nfs/dbraw/zinc/20/49/73/722204973.db2.gz GIKMRWAARGCONX-NRFANRHFSA-N 0 3 350.441 3.532 20 30 FHEDHN C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1 ZINC000047956439 927096970 /nfs/dbraw/zinc/09/69/70/927096970.db2.gz WOWDTXJQRQMLAF-CRAIPNDOSA-N 0 3 368.506 3.817 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CC[C@@H](C)c1ccccc1 ZINC000160178683 927105843 /nfs/dbraw/zinc/10/58/43/927105843.db2.gz OAKIRUHIDWMNOW-WBVHZDCISA-N 0 3 350.418 3.926 20 30 FHEDHN CC(C)[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N1CCc2ccccc2C1 ZINC000583124187 937145753 /nfs/dbraw/zinc/14/57/53/937145753.db2.gz QUXAZGSJDUHBQP-REWPJTCUSA-N 0 3 365.521 3.660 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)c1cccc(CC#N)c1)c1cccc(OC)c1 ZINC000049619293 927550745 /nfs/dbraw/zinc/55/07/45/927550745.db2.gz GOGLEPODTPZHNN-NRFANRHFSA-N 0 3 365.477 3.574 20 30 FHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000579816904 927915014 /nfs/dbraw/zinc/91/50/14/927915014.db2.gz NNBWFSLGSYETRO-UNMCSNQZSA-N 0 3 374.488 3.509 20 30 FHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2C[C@H](C)CCC[C@@H]2C)cc1 ZINC000610215467 928190174 /nfs/dbraw/zinc/19/01/74/928190174.db2.gz XWOTXYBGJVLPBY-MSOLQXFVSA-N 0 3 357.498 3.842 20 30 FHEDHN Cc1cc(C(C#N)C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)nc(C)n1 ZINC000683221240 928292568 /nfs/dbraw/zinc/29/25/68/928292568.db2.gz PZTOQGQZCVKKBX-JTQLQIEISA-N 0 3 355.266 3.881 20 30 FHEDHN C=CCN1CCC(NC(=O)/C=C(/C)c2ccccc2C(F)(F)F)CC1 ZINC000254952684 928488912 /nfs/dbraw/zinc/48/89/12/928488912.db2.gz AFLOZWRAWSUXRH-YPKPFQOOSA-N 0 3 352.400 3.875 20 30 FHEDHN C[C@H](O)CN(Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000583222041 937250264 /nfs/dbraw/zinc/25/02/64/937250264.db2.gz VJCXRYVBJNFDKB-ZDUSSCGKSA-N 0 3 351.288 3.836 20 30 FHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCS[C@@H](C)C3)sc2C1 ZINC000246086889 929255805 /nfs/dbraw/zinc/25/58/05/929255805.db2.gz FPHLAZSAAWCIRY-OLZOCXBDSA-N 0 3 363.552 3.510 20 30 FHEDHN CN(CCC#N)c1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000154871058 929429879 /nfs/dbraw/zinc/42/98/79/929429879.db2.gz QBHNZCMHOPGFCH-UHFFFAOYSA-N 0 3 372.513 3.526 20 30 FHEDHN COc1cccc(Cl)c1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000560549271 929885991 /nfs/dbraw/zinc/88/59/91/929885991.db2.gz WXKDHSJUVMIAIH-UHFFFAOYSA-N 0 3 355.869 3.979 20 30 FHEDHN CC[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000278215713 937374988 /nfs/dbraw/zinc/37/49/88/937374988.db2.gz IHDOWFXVILIWLU-NHCUHLMSSA-N 0 3 363.461 3.917 20 30 FHEDHN CC[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000278215725 937375031 /nfs/dbraw/zinc/37/50/31/937375031.db2.gz IHDOWFXVILIWLU-SFTDATJTSA-N 0 3 363.461 3.917 20 30 FHEDHN C[C@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1cccc(C#N)c1 ZINC000610351639 930089052 /nfs/dbraw/zinc/08/90/52/930089052.db2.gz BRHLTNIGYARQLT-UWJYYQICSA-N 0 3 362.477 3.583 20 30 FHEDHN C[C@@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)c1cccc(C#N)c1 ZINC000610356973 930111941 /nfs/dbraw/zinc/11/19/41/930111941.db2.gz DJNYWLTXXCAOQW-OHTSDLOESA-N 0 3 354.498 3.525 20 30 FHEDHN C[C@@H]1C[C@@H](c2ccccc2F)N(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610370745 930175292 /nfs/dbraw/zinc/17/52/92/930175292.db2.gz CBESFEZNEZLRKO-CDMIOBSGSA-N 0 3 368.452 3.715 20 30 FHEDHN CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000118880633 930184865 /nfs/dbraw/zinc/18/48/65/930184865.db2.gz UUJZKEVXILGJEG-SFHVURJKSA-N 0 3 369.509 3.503 20 30 FHEDHN CCCN(C)[C@H](CNC(=O)c1ncc(C#N)cc1C)c1ccc(Cl)cc1 ZINC000580176652 930335076 /nfs/dbraw/zinc/33/50/76/930335076.db2.gz UFHJFZDGUUIYIL-GOSISDBHSA-N 0 3 370.884 3.728 20 30 FHEDHN CN(C)[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000536012723 937410249 /nfs/dbraw/zinc/41/02/49/937410249.db2.gz LVRMORRPXCOPLT-KRWDZBQOSA-N 0 3 356.857 3.506 20 30 FHEDHN Cn1cc(CNCc2ccc3cccnc3c2)c(-c2ccc(C#N)cc2)n1 ZINC000611767182 937416808 /nfs/dbraw/zinc/41/68/08/937416808.db2.gz BIAAJQKIRIHLRA-UHFFFAOYSA-N 0 3 353.429 3.797 20 30 FHEDHN CC(C)[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CCN1 ZINC001167380102 930507407 /nfs/dbraw/zinc/50/74/07/930507407.db2.gz WEOAHZIPMNBMTN-GOSISDBHSA-N 0 3 365.502 3.779 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)CC1 ZINC000160468571 930545868 /nfs/dbraw/zinc/54/58/68/930545868.db2.gz IROICLVXNOLTCG-UHFFFAOYSA-N 0 3 373.456 3.702 20 30 FHEDHN C[C@H](NCc1cccc(OCCCC#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000728302589 930948025 /nfs/dbraw/zinc/94/80/25/930948025.db2.gz VQBSBTDBIIQHMX-INIZCTEOSA-N 0 3 363.461 3.739 20 30 FHEDHN CCN1CCN([C@@H](C)CNc2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000579856357 931142260 /nfs/dbraw/zinc/14/22/60/931142260.db2.gz WGLITEHBPYEEMM-HNNXBMFYSA-N 0 3 371.916 3.506 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000510349683 931163985 /nfs/dbraw/zinc/16/39/85/931163985.db2.gz XMILEHWTFJLVRM-UHFFFAOYSA-N 0 3 369.534 3.718 20 30 FHEDHN C[C@H]1OCC[C@]1(O)CN(CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000684108580 931336485 /nfs/dbraw/zinc/33/64/85/931336485.db2.gz GOIGWTFZJGWZLE-GCJKJVERSA-N 0 3 369.892 3.734 20 30 FHEDHN C=CCOc1ccccc1CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000121373000 932075873 /nfs/dbraw/zinc/07/58/73/932075873.db2.gz KIWGYMUSZJYHHV-UHFFFAOYSA-N 0 3 366.461 3.808 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)ccc2Br)CC1 ZINC000129125305 932132182 /nfs/dbraw/zinc/13/21/82/932132182.db2.gz VHNUKHGKXOUYNL-UHFFFAOYSA-N 0 3 366.303 3.920 20 30 FHEDHN N#Cc1cccc(OCCCN2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000477167981 932363670 /nfs/dbraw/zinc/36/36/70/932363670.db2.gz YSZJKBCVVWLBMQ-FQEVSTJZSA-N 0 3 364.445 3.935 20 30 FHEDHN C[C@@H]1CCN(Cc2cccn2Cc2ccccc2C#N)C[C@@H]1n1ccnc1 ZINC000187462402 932885520 /nfs/dbraw/zinc/88/55/20/932885520.db2.gz GIEKXYYKSRJCEE-GCJKJVERSA-N 0 3 359.477 3.688 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000548358305 933083729 /nfs/dbraw/zinc/08/37/29/933083729.db2.gz UPCWAUKCZAAWDD-UWJYYQICSA-N 0 3 359.473 3.542 20 30 FHEDHN N#Cc1ccc(N2CCC[C@H](NCCSCc3ccccc3)C2=O)cc1 ZINC000430759317 933213323 /nfs/dbraw/zinc/21/33/23/933213323.db2.gz XRVCSOYVYFVHFZ-FQEVSTJZSA-N 0 3 365.502 3.577 20 30 FHEDHN N#Cc1ccc(OCCN2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000430946224 933461620 /nfs/dbraw/zinc/46/16/20/933461620.db2.gz VDFZXMPMULLLMN-JOCHJYFZSA-N 0 3 350.462 3.661 20 30 FHEDHN CN1CCC(N(C(=O)c2c(F)cc(C#N)cc2F)c2ccccc2)CC1 ZINC000610666395 933700332 /nfs/dbraw/zinc/70/03/32/933700332.db2.gz KAZQNEWWEFXNEJ-UHFFFAOYSA-N 0 3 355.388 3.577 20 30 FHEDHN C#CCCN1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000276855585 933801961 /nfs/dbraw/zinc/80/19/61/933801961.db2.gz JQZMZHYXBPRGJA-UHFFFAOYSA-N 0 3 360.255 3.702 20 30 FHEDHN CCCN(C(=O)NCC1(CC#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000431194096 934147598 /nfs/dbraw/zinc/14/75/98/934147598.db2.gz QXVAGYRKQOBSTE-FQEVSTJZSA-N 0 3 368.525 3.766 20 30 FHEDHN Cc1noc(C[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2)n1 ZINC000277115982 934494808 /nfs/dbraw/zinc/49/48/08/934494808.db2.gz NDIQLJRQWWHWAN-MGPUTAFESA-N 0 3 362.433 3.915 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(C2CC2)no1 ZINC000657237063 934798190 /nfs/dbraw/zinc/79/81/90/934798190.db2.gz DETVZJPCRMNCBQ-UHFFFAOYSA-N 0 3 373.526 3.650 20 30 FHEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccccc1OC(F)F ZINC000539245654 935106725 /nfs/dbraw/zinc/10/67/25/935106725.db2.gz FCOXFEINRGDPHD-CYBMUJFWSA-N 0 3 362.376 3.898 20 30 FHEDHN C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000539607403 935260200 /nfs/dbraw/zinc/26/02/00/935260200.db2.gz GMINUDMASFHNAN-OPURJYLOSA-N 0 3 371.843 3.973 20 30 FHEDHN CC(C)Cc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051654237 935650287 /nfs/dbraw/zinc/65/02/87/935650287.db2.gz GLPSTAPDFPHVDC-LJQANCHMSA-N 0 3 368.477 3.616 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)cc2COC)CC1 ZINC000425742407 945115570 /nfs/dbraw/zinc/11/55/70/945115570.db2.gz XFFPVIAZKNHJGL-UHFFFAOYSA-N 0 3 351.878 3.648 20 30 FHEDHN Cc1nn(C)c2nc(C)cc(C(=O)C(C#N)c3ccc4ccccc4n3)c12 ZINC000047376162 945133458 /nfs/dbraw/zinc/13/34/58/945133458.db2.gz OXFBLDFGKVQJGS-MRXNPFEDSA-N 0 3 355.401 3.623 20 30 FHEDHN N#CCC[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000438854212 945142183 /nfs/dbraw/zinc/14/21/83/945142183.db2.gz RDCWPLBBELDEJS-NHCUHLMSSA-N 0 3 362.477 3.605 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)CC(F)F)CC1 ZINC000153320817 936107915 /nfs/dbraw/zinc/10/79/15/936107915.db2.gz LHRHADFSOFKTDY-UHFFFAOYSA-N 0 3 351.441 3.504 20 30 FHEDHN C=CCOCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000657657760 936178380 /nfs/dbraw/zinc/17/83/80/936178380.db2.gz BHWICELGVNTOFM-UHFFFAOYSA-N 0 3 350.260 3.522 20 30 FHEDHN Cc1ccoc1C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126601061 945152503 /nfs/dbraw/zinc/15/25/03/945152503.db2.gz BHIKVMOTAIAJBI-LBPRGKRZSA-N 0 3 350.346 3.864 20 30 FHEDHN C=CCOc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246465928 938366017 /nfs/dbraw/zinc/36/60/17/938366017.db2.gz OGPKRHWJBQAEGO-ZWKOTPCHSA-N 0 3 357.450 3.941 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000159342022 938659933 /nfs/dbraw/zinc/65/99/33/938659933.db2.gz GUTVPNVZJKDQAB-SFHVURJKSA-N 0 3 357.498 3.629 20 30 FHEDHN CC1(C#N)CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000506018466 945207155 /nfs/dbraw/zinc/20/71/55/945207155.db2.gz WAAIINSLIWNPIT-HXUWFJFHSA-N 0 3 367.518 3.969 20 30 FHEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2c(s1)CCC2 ZINC000507409916 945214621 /nfs/dbraw/zinc/21/46/21/945214621.db2.gz XOFABHDJNPYEKM-KSSFIOAISA-N 0 3 365.502 3.955 20 30 FHEDHN N#Cc1ccc(OCCN2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000024246090 938967277 /nfs/dbraw/zinc/96/72/77/938967277.db2.gz CCTMZUUYWKYOJQ-UHFFFAOYSA-N 0 3 369.896 3.798 20 30 FHEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@H]3CCc4ccc(Cl)cc43)C2=O)cc1 ZINC000507418791 945219516 /nfs/dbraw/zinc/21/95/16/945219516.db2.gz BQBYUQWGRYEKRT-WOJBJXKFSA-N 0 3 365.864 3.984 20 30 FHEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000171721573 938990016 /nfs/dbraw/zinc/99/00/16/938990016.db2.gz ZYIBVCRMDHWXDS-JKSUJKDBSA-N 0 3 352.400 3.576 20 30 FHEDHN C=CCOc1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000091949075 939021468 /nfs/dbraw/zinc/02/14/68/939021468.db2.gz HWMZFCFDYJOEQT-SFHVURJKSA-N 0 3 356.510 3.722 20 30 FHEDHN N#CC1(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000511828145 945226095 /nfs/dbraw/zinc/22/60/95/945226095.db2.gz DBKYMWHLUJBPHF-ZCNNSNEGSA-N 0 3 351.494 3.597 20 30 FHEDHN CC[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC)c1 ZINC000507428849 945230272 /nfs/dbraw/zinc/23/02/72/945230272.db2.gz LZXBUDWBZXSNKT-LEWJYISDSA-N 0 3 363.461 3.803 20 30 FHEDHN CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000425791489 945259993 /nfs/dbraw/zinc/25/99/93/945259993.db2.gz UOSUBQDYEPFXHQ-FCEWJHQRSA-N 0 3 368.481 3.983 20 30 FHEDHN Cc1c2ccccc2oc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930980 940078355 /nfs/dbraw/zinc/07/83/55/940078355.db2.gz XIEBXEAZTPWOFN-UHFFFAOYSA-N 0 3 361.445 3.817 20 30 FHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cncc(C(C)=O)c2)cc1 ZINC000892502129 940115290 /nfs/dbraw/zinc/11/52/90/940115290.db2.gz VZTJHAMKOPNLAU-ORAYPTAESA-N 0 3 363.417 3.759 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2F)CC2CC2)CC1 ZINC000660597430 945299157 /nfs/dbraw/zinc/29/91/57/945299157.db2.gz PGAHUJIWPWBLCM-UHFFFAOYSA-N 0 3 359.489 3.788 20 30 FHEDHN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCCC2(CCCC2)C1 ZINC000782636767 940245474 /nfs/dbraw/zinc/24/54/74/940245474.db2.gz KHIIMZSNTWRAMR-QGZVFWFLSA-N 0 3 360.461 3.880 20 30 FHEDHN C=CCC(C)(C)CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000458805561 940492197 /nfs/dbraw/zinc/49/21/97/940492197.db2.gz AUULAJQVGPEMQI-QZTJIDSGSA-N 0 3 365.562 3.510 20 30 FHEDHN COc1ccc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000414117118 940607647 /nfs/dbraw/zinc/60/76/47/940607647.db2.gz YQDRYNBSSBVBLE-HRAATJIYSA-N 0 3 363.461 3.722 20 30 FHEDHN Cc1cc(C(=O)N(CCN(C)C)CC(C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000729434349 945334141 /nfs/dbraw/zinc/33/41/41/945334141.db2.gz WMPMTAIJAPNIKA-UHFFFAOYSA-N 0 3 366.509 3.626 20 30 FHEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccc(C#N)cc1Br ZINC000613388550 940657572 /nfs/dbraw/zinc/65/75/72/940657572.db2.gz AXXQGMZDHGVHKN-SCLBCKFNSA-N 0 3 359.267 3.575 20 30 FHEDHN CC[C@@H](O)CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000180205702 940818727 /nfs/dbraw/zinc/81/87/27/940818727.db2.gz PLWXYKZICIXVIC-JOCHJYFZSA-N 0 3 374.488 3.732 20 30 FHEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCCc4sccc43)C2=O)cc1 ZINC000540953513 940903673 /nfs/dbraw/zinc/90/36/73/940903673.db2.gz ZHMDVQLZGIEPRP-MSOLQXFVSA-N 0 3 351.475 3.782 20 30 FHEDHN CCOc1ccc(C#N)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000180319139 940958595 /nfs/dbraw/zinc/95/85/95/940958595.db2.gz HIRYMLZTKJODQZ-UHFFFAOYSA-N 0 3 360.461 3.905 20 30 FHEDHN CCCC[C@H](ON=C(C)C)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376965838 941480300 /nfs/dbraw/zinc/48/03/00/941480300.db2.gz CFUQXKWNQWYKSX-UFYCRDLUSA-N 0 3 374.529 3.504 20 30 FHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1c[nH]nc1-c1cccs1 ZINC000583780191 941820620 /nfs/dbraw/zinc/82/06/20/941820620.db2.gz DYZOIUWKXRBCFK-UHFFFAOYSA-N 0 3 352.463 3.658 20 30 FHEDHN N#CCCCOc1cccc(CN2CCC(Nc3cccnc3)CC2)c1 ZINC000377618982 941848179 /nfs/dbraw/zinc/84/81/79/941848179.db2.gz DBWURUNFNOBPND-UHFFFAOYSA-N 0 3 350.466 3.841 20 30 FHEDHN COc1cc(CN(C)C[C@@H](C)OC)ccc1OCc1cccc(C#N)c1 ZINC000513316316 941851486 /nfs/dbraw/zinc/85/14/86/941851486.db2.gz CTEQYXHGJKQXNV-MRXNPFEDSA-N 0 3 354.450 3.613 20 30 FHEDHN C=C(C)[C@@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1 ZINC000433910403 941980104 /nfs/dbraw/zinc/98/01/04/941980104.db2.gz FLBINSRRSNCRJE-QFBILLFUSA-N 0 3 363.452 3.898 20 30 FHEDHN C[C@H](CN1CCN(c2cccc(C#N)n2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501037523 942279474 /nfs/dbraw/zinc/27/94/74/942279474.db2.gz QNKABQICEKAKJS-OAHLLOKOSA-N 0 3 374.410 3.898 20 30 FHEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccc(-c3ccccc3)o2)cc1 ZINC000549407392 942480873 /nfs/dbraw/zinc/48/08/73/942480873.db2.gz FIHYVWRQYVPLBK-LJQANCHMSA-N 0 3 362.429 3.542 20 30 FHEDHN CCN1CCN(c2ccc(NCc3ccc(C#N)c(F)c3)c(C)c2)CC1 ZINC000421321105 942481518 /nfs/dbraw/zinc/48/15/18/942481518.db2.gz QSQUZEKOINOEDQ-UHFFFAOYSA-N 0 3 352.457 3.760 20 30 FHEDHN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1ccc(C#N)s1 ZINC000421348109 942501281 /nfs/dbraw/zinc/50/12/81/942501281.db2.gz FAMXTXZPMIDZRZ-LLVKDONJSA-N 0 3 363.870 3.789 20 30 FHEDHN C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccc(C#N)s1 ZINC000421355467 942505454 /nfs/dbraw/zinc/50/54/54/942505454.db2.gz ZKAZIMCFFZFIKX-ZDUSSCGKSA-N 0 3 361.898 3.800 20 30 FHEDHN COc1cc(C#N)ccc1CN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502544808 942523196 /nfs/dbraw/zinc/52/31/96/942523196.db2.gz GMLFAPZPIJTFHZ-FQEVSTJZSA-N 0 3 356.853 3.712 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc(-n3cc[nH]c3=O)c2)s1 ZINC000651353054 942554039 /nfs/dbraw/zinc/55/40/39/942554039.db2.gz SLMCSOWXYUQMPY-CQSZACIVSA-N 0 3 366.446 3.822 20 30 FHEDHN CCC(CC)(CC(=O)OC)NCc1ccc(C#N)cc1Br ZINC000481147263 942698440 /nfs/dbraw/zinc/69/84/40/942698440.db2.gz UMNHSSASEJQADL-UHFFFAOYSA-N 0 3 353.260 3.532 20 30 FHEDHN C=CCN(C(=O)N[C@H](C)c1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363823409 942762527 /nfs/dbraw/zinc/76/25/27/942762527.db2.gz NXBXJNNEUFLNLV-UYAOXDASSA-N 0 3 364.493 3.615 20 30 FHEDHN Cc1oc(NC(=O)CN(CCc2ccccc2)CC(C)C)c(C#N)c1C ZINC000434732217 942900557 /nfs/dbraw/zinc/90/05/57/942900557.db2.gz KWILLHRLQVAWSG-UHFFFAOYSA-N 0 3 353.466 3.907 20 30 FHEDHN CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000505508900 942945008 /nfs/dbraw/zinc/94/50/08/942945008.db2.gz YHYZMZWGHBBSEP-UXHICEINSA-N 0 3 356.514 3.600 20 30 FHEDHN C=CCN(CCC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(C#N)c1 ZINC000434825378 942981616 /nfs/dbraw/zinc/98/16/16/942981616.db2.gz IERDZAINVJLFIL-UHFFFAOYSA-N 0 3 355.388 3.853 20 30 FHEDHN CCc1ccc([C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)N(C)C)cc1 ZINC000435037229 943104084 /nfs/dbraw/zinc/10/40/84/943104084.db2.gz XHEIOGGIJDCJLS-OAQYLSRUSA-N 0 3 361.489 3.571 20 30 FHEDHN CC1(C#N)CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000272575644 943180126 /nfs/dbraw/zinc/18/01/26/943180126.db2.gz NMULEWIMBCNEJU-UHFFFAOYSA-N 0 3 361.489 3.908 20 30 FHEDHN CCOC(=O)COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425365260 943372911 /nfs/dbraw/zinc/37/29/11/943372911.db2.gz JOOATKZQQPKBPI-MRXNPFEDSA-N 0 3 352.434 3.693 20 30 FHEDHN N#CC(C(=O)c1cnc(C2CC2)nc1)c1nc2ccccc2n1C(F)F ZINC000515038543 943466605 /nfs/dbraw/zinc/46/66/05/943466605.db2.gz OIYBGRUYCRDENF-GFCCVEGCSA-N 0 3 353.332 3.589 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Br)cc(OC)cc1OC ZINC000435752431 943586190 /nfs/dbraw/zinc/58/61/90/943586190.db2.gz XXUXQBMNJQRSME-SJCJKPOMSA-N 0 3 370.287 3.537 20 30 FHEDHN N#CC(C(=O)c1cccc2[nH]c(=O)oc21)c1nc2ccccc2n1C(F)F ZINC000504542182 943666208 /nfs/dbraw/zinc/66/62/08/943666208.db2.gz ROYMXMHJVUKGKG-SNVBAGLBSA-N 0 3 368.299 3.768 20 30 FHEDHN CCCc1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)c2cccs2)cc1 ZINC000424071246 943708527 /nfs/dbraw/zinc/70/85/27/943708527.db2.gz YYBAFXUXHQQQOG-PKOBYXMFSA-N 0 3 355.507 3.927 20 30 FHEDHN Cc1nc(NC(=O)[C@H](N)CCCC#N)sc1Cc1cccc(Cl)c1 ZINC000424093147 943728444 /nfs/dbraw/zinc/72/84/44/943728444.db2.gz QPFLLOQMFQNBPD-CQSZACIVSA-N 0 3 362.886 3.655 20 30 FHEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000424111346 943736432 /nfs/dbraw/zinc/73/64/32/943736432.db2.gz AOCUUCFVOILRGB-DZFGPLHGSA-N 0 3 366.461 3.556 20 30 FHEDHN CC(C)Oc1ccc(-c2csc(NC(=O)[C@H](N)CCCC#N)n2)cc1 ZINC000424112221 943737812 /nfs/dbraw/zinc/73/78/12/943737812.db2.gz INJQTHZNQYEZQZ-OAHLLOKOSA-N 0 3 358.467 3.557 20 30 FHEDHN Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424115715 943739712 /nfs/dbraw/zinc/73/97/12/943739712.db2.gz VLZVKKOWLFTHRI-GOSISDBHSA-N 0 3 355.413 3.673 20 30 FHEDHN Cc1cccc(C)c1OC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424125095 943744360 /nfs/dbraw/zinc/74/43/60/943744360.db2.gz QFWJHLMKKCNXQA-UXHICEINSA-N 0 3 365.477 3.561 20 30 FHEDHN C=CCn1cc(CN[C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000424289883 943821612 /nfs/dbraw/zinc/82/16/12/943821612.db2.gz AMSUIVPCBDMREV-HOCLYGCPSA-N 0 3 350.388 3.909 20 30 FHEDHN C=CCn1cc(CN[C@@H](CC)CCc2ccc(Br)cc2)nn1 ZINC000424292036 943822369 /nfs/dbraw/zinc/82/23/69/943822369.db2.gz FXRHCVREFNBTGL-INIZCTEOSA-N 0 3 363.303 3.728 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000437478827 943847261 /nfs/dbraw/zinc/84/72/61/943847261.db2.gz CMVKRAPPSMOZKY-LSDHHAIUSA-N 0 3 361.452 3.695 20 30 FHEDHN C=CCc1cc(CN(C)CCOc2ccc(OC)cc2)cc(OC)c1O ZINC000506063102 943903477 /nfs/dbraw/zinc/90/34/77/943903477.db2.gz CISMURQMPYRBMX-UHFFFAOYSA-N 0 3 357.450 3.649 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(CC(C)C)c2C(C)C)CC1 ZINC000500004484 943931593 /nfs/dbraw/zinc/93/15/93/943931593.db2.gz ZHJUJSIOOYTKFB-UHFFFAOYSA-N 0 3 361.534 3.825 20 30 FHEDHN C=CCN1CC[C@@H](N(C)CC/C=C/c2ccc(Br)cc2)C1=O ZINC000500008130 943944561 /nfs/dbraw/zinc/94/45/61/943944561.db2.gz INNOOPQANLKXFM-UKINESCASA-N 0 3 363.299 3.571 20 30 FHEDHN CC[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000436101850 944016876 /nfs/dbraw/zinc/01/68/76/944016876.db2.gz MLPQFJZBMLJSJO-QFIPXVFZSA-N 0 3 373.500 3.543 20 30 FHEDHN C=CCC1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCOCC1 ZINC000424628587 944020329 /nfs/dbraw/zinc/02/03/29/944020329.db2.gz PSMKSCNCPRXDEH-UHFFFAOYSA-N 0 3 374.550 3.589 20 30 FHEDHN CCN(C(=O)c1cc(C#N)oc1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000436134306 944046574 /nfs/dbraw/zinc/04/65/74/944046574.db2.gz DDZVSPWNILUSDP-YJBOKZPZSA-N 0 3 351.450 3.757 20 30 FHEDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418001313 944049231 /nfs/dbraw/zinc/04/92/31/944049231.db2.gz WWWOTBOVLFLYDS-IXDOHACOSA-N 0 3 362.477 3.678 20 30 FHEDHN COc1ccc(CN2CCC(OC3CCC3)CC2)cc1OCCCC#N ZINC000418091404 944145323 /nfs/dbraw/zinc/14/53/23/944145323.db2.gz NCIRTDPAWIKWRL-UHFFFAOYSA-N 0 3 358.482 3.911 20 30 FHEDHN COc1cccc(C2(F)CCN(CCOc3ccc(C#N)cc3)CC2)c1 ZINC000500136790 944154994 /nfs/dbraw/zinc/15/49/94/944154994.db2.gz GSWQJVLSFLNJGL-UHFFFAOYSA-N 0 3 354.425 3.906 20 30 FHEDHN Cc1nc(COc2ccc(CN[C@@H]3CCCc4cc(C#N)ccc43)cc2)no1 ZINC000418136225 944190272 /nfs/dbraw/zinc/19/02/72/944190272.db2.gz AHUPIMJWMJZPCU-OAQYLSRUSA-N 0 3 374.444 3.996 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000436307337 944190265 /nfs/dbraw/zinc/19/02/65/944190265.db2.gz RGWYUCKOODBPCX-WTANOLMUSA-N 0 3 360.889 3.861 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000436307335 944190344 /nfs/dbraw/zinc/19/03/44/944190344.db2.gz RGWYUCKOODBPCX-OHNRDTAOSA-N 0 3 360.889 3.861 20 30 FHEDHN CCCN(C)CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000517343077 944221284 /nfs/dbraw/zinc/22/12/84/944221284.db2.gz BWKBQRMZMATYTK-UHFFFAOYSA-N 0 3 353.441 3.568 20 30 FHEDHN CN(CC#Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000440461870 944314031 /nfs/dbraw/zinc/31/40/31/944314031.db2.gz VJUWXWKTWWGSJG-UHFFFAOYSA-N 0 3 366.892 3.928 20 30 FHEDHN CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1ccc(C#N)cn1 ZINC000518394326 944347948 /nfs/dbraw/zinc/34/79/48/944347948.db2.gz RLLWUFVALZQNNM-UHFFFAOYSA-N 0 3 363.440 3.557 20 30 FHEDHN CC1CCN([C@@H](CNC(=O)c2cccc(CC#N)c2)c2ccccc2)CC1 ZINC000515983544 944394830 /nfs/dbraw/zinc/39/48/30/944394830.db2.gz VXKUEPSBDNEXQF-QFIPXVFZSA-N 0 3 361.489 3.956 20 30 FHEDHN N#Cc1ccc2ncc(CN(Cc3ccc(F)cc3)C3CCOCC3)n2c1 ZINC000426373235 944583996 /nfs/dbraw/zinc/58/39/96/944583996.db2.gz RQSGRDWGHRVUJX-UHFFFAOYSA-N 0 3 364.424 3.526 20 30 FHEDHN COc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)c(O)c1OC ZINC000893361170 944603776 /nfs/dbraw/zinc/60/37/76/944603776.db2.gz WENYYLOWRAQMCQ-UHFFFAOYSA-N 0 3 365.351 3.570 20 30 FHEDHN C=CCOc1ccc(CN(CCC(N)=O)Cc2ccccc2)cc1Cl ZINC000506258113 944700701 /nfs/dbraw/zinc/70/07/01/944700701.db2.gz FWBCMHDNGJOEIP-UHFFFAOYSA-N 0 3 358.869 3.782 20 30 FHEDHN C=CCN1CCC(NC(=O)N(C)Cc2c(Cl)cccc2Cl)CC1 ZINC000518022612 944942669 /nfs/dbraw/zinc/94/26/69/944942669.db2.gz HJMLSFSFVQPJPD-UHFFFAOYSA-N 0 3 356.297 3.785 20 30 FHEDHN C=CCOc1cccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000511739225 944972555 /nfs/dbraw/zinc/97/25/55/944972555.db2.gz GEYFJRVLHBSTHD-UHFFFAOYSA-N 0 3 371.525 3.848 20 30 FHEDHN N#Cc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c(Cl)c1 ZINC000426131208 944989989 /nfs/dbraw/zinc/98/99/89/944989989.db2.gz NNMUMKNOGUPBGH-KRWDZBQOSA-N 0 3 368.868 3.998 20 30 FHEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426156199 945042860 /nfs/dbraw/zinc/04/28/60/945042860.db2.gz GGKIYTXVMPLDBZ-UHFFFAOYSA-N 0 3 374.847 3.946 20 30 FHEDHN N#CCCOCCN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000294323965 945046226 /nfs/dbraw/zinc/04/62/26/945046226.db2.gz YCQZHGXNWSFDED-UHFFFAOYSA-N 0 3 350.462 3.567 20 30 FHEDHN C[C@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000330140342 945373910 /nfs/dbraw/zinc/37/39/10/945373910.db2.gz WWVZWAFCKJEIRD-KSSFIOAISA-N 0 3 352.862 3.588 20 30 FHEDHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330185148 945393532 /nfs/dbraw/zinc/39/35/32/945393532.db2.gz IYXFFODSVQVYHR-FUHIMQAGSA-N 0 3 352.482 3.661 20 30 FHEDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330205619 945401098 /nfs/dbraw/zinc/40/10/98/945401098.db2.gz CPWGNRHWEWUQML-OXQOHEQNSA-N 0 3 372.465 3.863 20 30 FHEDHN C=CCN1CCC(NC(=O)NCc2ccc(-c3cccs3)cc2)CC1 ZINC000660705736 945408459 /nfs/dbraw/zinc/40/84/59/945408459.db2.gz FGZPGRCGLBFRMM-UHFFFAOYSA-N 0 3 355.507 3.865 20 30 FHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1c(F)cc(C#N)cc1F ZINC000281053673 945510032 /nfs/dbraw/zinc/51/00/32/945510032.db2.gz PCJUJUBJAMRPOI-DNVCBOLYSA-N 0 3 367.399 3.593 20 30 FHEDHN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125230113 945689026 /nfs/dbraw/zinc/68/90/26/945689026.db2.gz MIBUSHHRIDTXPH-NVXWUHKLSA-N 0 3 365.433 3.628 20 30 FHEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000661116505 945749001 /nfs/dbraw/zinc/74/90/01/945749001.db2.gz YQMOAXHIAKJZJR-MAUKXSAKSA-N 0 3 363.465 3.746 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(Nc3cccc(C)c3)CC2)CC1 ZINC000119994884 945786923 /nfs/dbraw/zinc/78/69/23/945786923.db2.gz UPZVZGGCFKFFHG-UHFFFAOYSA-N 0 3 370.541 3.621 20 30 FHEDHN CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000522833619 945954069 /nfs/dbraw/zinc/95/40/69/945954069.db2.gz ZZRDOJWYHHEGBC-SFHVURJKSA-N 0 3 362.477 3.733 20 30 FHEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)C1 ZINC000661378461 946051810 /nfs/dbraw/zinc/05/18/10/946051810.db2.gz GXHQPNKVRYXNLJ-ROUUACIJSA-N 0 3 371.525 3.784 20 30 FHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(OC(C)(C)C)cc2)n1 ZINC000432228509 946269857 /nfs/dbraw/zinc/26/98/57/946269857.db2.gz JYTPMNIWEHIGDS-CQSZACIVSA-N 0 3 372.446 3.987 20 30 FHEDHN C=CCN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302671407 946275780 /nfs/dbraw/zinc/27/57/80/946275780.db2.gz KQMRDBKHNHGFHX-UHFFFAOYSA-N 0 3 354.248 3.728 20 30 FHEDHN FC(F)(F)Oc1ccc(C#CCN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000441274244 946386370 /nfs/dbraw/zinc/38/63/70/946386370.db2.gz BQDZRXDFMOOFMJ-IAGOWNOFSA-N 0 3 353.384 3.685 20 30 FHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSCCC(C)C)cc1Cl ZINC000121354511 946389559 /nfs/dbraw/zinc/38/95/59/946389559.db2.gz YXDPUGGCLBAXAB-ZDUSSCGKSA-N 0 3 368.886 3.775 20 30 FHEDHN CN(C)CCN(Cc1ccccc1F)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475105084 946403933 /nfs/dbraw/zinc/40/39/33/946403933.db2.gz AYZDCEQILFSODJ-IBGZPJMESA-N 0 3 367.468 3.803 20 30 FHEDHN COCC(C)(C)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055423 946542376 /nfs/dbraw/zinc/54/23/76/946542376.db2.gz OSLZGMVMUSMNLQ-IUCAKERBSA-N 0 3 369.296 3.762 20 30 FHEDHN Cc1cc(C#N)ccc1CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000186270650 946732368 /nfs/dbraw/zinc/73/23/68/946732368.db2.gz FLFDXNNKVQWRPF-UHFFFAOYSA-N 0 3 359.473 3.668 20 30 FHEDHN C=CCC1(NCc2nnnn2-c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000661847985 946753287 /nfs/dbraw/zinc/75/32/87/946753287.db2.gz HSTYPILHQSJKRP-UHFFFAOYSA-N 0 3 351.376 3.660 20 30 FHEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475315054 946877522 /nfs/dbraw/zinc/87/75/22/946877522.db2.gz SJYLXEYIRYEXCA-FQEVSTJZSA-N 0 3 367.468 3.803 20 30 FHEDHN N#CC[C@H](CC(=O)N1CCN(CC2CCCCC2)CC1)c1ccccc1 ZINC000475326116 946886542 /nfs/dbraw/zinc/88/65/42/946886542.db2.gz RVDPWYNOHSASBV-OAQYLSRUSA-N 0 3 353.510 3.798 20 30 FHEDHN N#C[C@H](c1ccccc1)N1CCN(CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001167785190 946927250 /nfs/dbraw/zinc/92/72/50/946927250.db2.gz RROCHDHJGHMQRR-RTWAWAEBSA-N 0 3 353.510 3.608 20 30 FHEDHN C#CCCOc1ccc(CN[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000113322440 946927545 /nfs/dbraw/zinc/92/75/45/946927545.db2.gz KMKVNMVGAXMWQW-MRXNPFEDSA-N 0 3 369.461 3.965 20 30 FHEDHN C#CCOc1ccc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000113322421 946928029 /nfs/dbraw/zinc/92/80/29/946928029.db2.gz ALPAJBHCODRHSJ-HNNXBMFYSA-N 0 3 355.434 3.575 20 30 FHEDHN C#CCN(CC[C@H]1CCOC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000783567454 946934770 /nfs/dbraw/zinc/93/47/70/946934770.db2.gz PKZJGZFRJVBXKG-WMLDXEAASA-N 0 3 364.283 3.635 20 30 FHEDHN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)N1CCCC1 ZINC000165092867 946936622 /nfs/dbraw/zinc/93/66/22/946936622.db2.gz NGXZNOAJQNVRAF-IBGZPJMESA-N 0 3 366.421 3.724 20 30 FHEDHN O=C(CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)NC1CCCCC1 ZINC000328614396 946958523 /nfs/dbraw/zinc/95/85/23/946958523.db2.gz RBXYLBZIGDJIHU-LBPRGKRZSA-N 0 3 358.408 3.897 20 30 FHEDHN CC(C)N1CCN(c2cccc(NC(=O)[C@@]3(C)CCC(=O)NC3)c2)CC1 ZINC000328639176 946962838 /nfs/dbraw/zinc/96/28/38/946962838.db2.gz DPFRUBMIRNZLBX-FQEVSTJZSA-N 0 3 358.486 3.562 20 30 FHEDHN CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)c12 ZINC000328647748 946963704 /nfs/dbraw/zinc/96/37/04/946963704.db2.gz HRQTYISEXHGGRN-YVEFUNNKSA-N 0 3 356.470 3.525 20 30 FHEDHN C[C@@]1(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CCC(=O)NC1 ZINC000328686986 946987589 /nfs/dbraw/zinc/98/75/89/946987589.db2.gz YSBDSSFLSOETKL-HXUWFJFHSA-N 0 3 372.469 3.778 20 30 FHEDHN C[C@H](N[C@H]1CCC(=O)NC12CCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000328687970 946988288 /nfs/dbraw/zinc/98/82/88/946988288.db2.gz HJXVIDCPQBBRQA-NHYWBVRUSA-N 0 3 372.494 3.716 20 30 FHEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2CC(=O)Nc2cccc3nsnc32)C1 ZINC000328735879 947003930 /nfs/dbraw/zinc/00/39/30/947003930.db2.gz KURRKHNVSWSUMI-OMNBBPDLSA-N 0 3 374.510 3.541 20 30 FHEDHN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328811052 947032428 /nfs/dbraw/zinc/03/24/28/947032428.db2.gz MTAXCCSSDHHHRQ-JQERWDHBSA-N 0 3 360.498 3.648 20 30 FHEDHN COc1ccccc1-c1noc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000328853142 947065914 /nfs/dbraw/zinc/06/59/14/947065914.db2.gz SLXNJUNXQODFCX-ZBFHGGJFSA-N 0 3 352.438 3.617 20 30 FHEDHN COc1ccc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1OCCCC#N ZINC000544610451 947109412 /nfs/dbraw/zinc/10/94/12/947109412.db2.gz OZMFXYNVFXUAPI-ZWKOTPCHSA-N 0 3 360.498 3.607 20 30 FHEDHN C[C@@H]1CCCN(CCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330549098 947205882 /nfs/dbraw/zinc/20/58/82/947205882.db2.gz RBWWCVGSXCGRBO-GFCCVEGCSA-N 0 3 360.424 3.693 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccccc1Br ZINC000662079152 947214250 /nfs/dbraw/zinc/21/42/50/947214250.db2.gz KVIUOEKARPNIGC-IYBDPMFKSA-N 0 3 363.299 3.591 20 30 FHEDHN C=CC[C@@H]1N(Cc2cccc(S(=O)(=O)N(C)C)c2)CCCC1(C)C ZINC000444794458 947233351 /nfs/dbraw/zinc/23/33/51/947233351.db2.gz VXDDGLNFJZYWND-SFHVURJKSA-N 0 3 350.528 3.504 20 30 FHEDHN Cc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1NC(=O)NC(C)(C)C ZINC000330788640 947286076 /nfs/dbraw/zinc/28/60/76/947286076.db2.gz QZOOAZZFCKOHFS-HNNXBMFYSA-N 0 3 372.513 3.884 20 30 FHEDHN C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000248734935 947310520 /nfs/dbraw/zinc/31/05/20/947310520.db2.gz KNPXCHQSJYJIBL-FVJLSDCUSA-N 0 3 363.461 3.643 20 30 FHEDHN C=CCN1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301403373 947328370 /nfs/dbraw/zinc/32/83/70/947328370.db2.gz RYAVCVLXPWCWFG-UHFFFAOYSA-N 0 3 374.319 3.584 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000126780982 947400817 /nfs/dbraw/zinc/40/08/17/947400817.db2.gz MROPUVVDTXNABA-PBHICJAKSA-N 0 3 365.880 3.675 20 30 FHEDHN COc1cc(CNc2cccc(CN3CCSCC3)c2)ccc1C#N ZINC000440633764 947425566 /nfs/dbraw/zinc/42/55/66/947425566.db2.gz HPGSSVQWVGQKBX-UHFFFAOYSA-N 0 3 353.491 3.728 20 30 FHEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000523623609 947453697 /nfs/dbraw/zinc/45/36/97/947453697.db2.gz PKMDGOSWWVLGRE-LPHOPBHVSA-N 0 3 357.498 3.688 20 30 FHEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2n2cccn2)c(Br)c1 ZINC000128749758 947730772 /nfs/dbraw/zinc/73/07/72/947730772.db2.gz GIBCQGFCGVTUGK-IRXDYDNUSA-N 0 3 359.271 3.791 20 30 FHEDHN COCCN(CCOc1ccc(SC)cc1)Cc1ccc(C#N)cc1 ZINC000441478347 947868459 /nfs/dbraw/zinc/86/84/59/947868459.db2.gz DWRKBAOOTRCDFJ-UHFFFAOYSA-N 0 3 356.491 3.808 20 30 FHEDHN N#CCc1ccc(OC[C@H](O)CNC(c2ccccc2)c2ccccc2)cc1 ZINC000025865983 948009462 /nfs/dbraw/zinc/00/94/62/948009462.db2.gz MZWYYLWXHGZTSD-JOCHJYFZSA-N 0 3 372.468 3.872 20 30 FHEDHN CCCCNC(=O)c1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000236799347 948044432 /nfs/dbraw/zinc/04/44/32/948044432.db2.gz XDYWQFJHSGMFKB-QGZVFWFLSA-N 0 3 365.477 3.797 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2-n2nc(C)cc2C)CC1 ZINC000520697877 948604905 /nfs/dbraw/zinc/60/49/05/948604905.db2.gz ZIPGJTOBBPXMQG-UHFFFAOYSA-N 0 3 367.497 3.651 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000106562919 948708158 /nfs/dbraw/zinc/70/81/58/948708158.db2.gz MMNHTXLRNQWUMN-AWEZNQCLSA-N 0 3 364.559 3.841 20 30 FHEDHN N#Cc1ccccc1-c1ccc(CN2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000584662983 567940141 /nfs/dbraw/zinc/94/01/41/567940141.db2.gz QLAKOEIPICRTNJ-QFIPXVFZSA-N 0 3 361.489 3.522 20 30 FHEDHN Cc1cc(F)ccc1N(CC#N)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000602385928 567974061 /nfs/dbraw/zinc/97/40/61/567974061.db2.gz FLDSYXBTRBQOCJ-UHFFFAOYSA-N 0 3 365.452 3.903 20 30 FHEDHN C[C@@H](CCC#N)CN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000602515214 567986530 /nfs/dbraw/zinc/98/65/30/567986530.db2.gz OOZDYOCMUXOOHR-WMLDXEAASA-N 0 3 367.415 3.898 20 30 FHEDHN C[C@H](CCC#N)CN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000602515212 567986556 /nfs/dbraw/zinc/98/65/56/567986556.db2.gz OOZDYOCMUXOOHR-RHSMWYFYSA-N 0 3 367.415 3.898 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(OCC(F)(F)F)c1 ZINC000602515813 567986645 /nfs/dbraw/zinc/98/66/45/567986645.db2.gz ZDFDRVCLCMPUOI-AWEZNQCLSA-N 0 3 356.388 3.816 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1cccc(C(F)(F)F)c1 ZINC000602522260 567987327 /nfs/dbraw/zinc/98/73/27/567987327.db2.gz UBZCJDHCDJAANO-CQSZACIVSA-N 0 3 356.388 3.773 20 30 FHEDHN COc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1Br ZINC000602528243 567988036 /nfs/dbraw/zinc/98/80/36/567988036.db2.gz QSFASZLGJOXLFX-CYBMUJFWSA-N 0 3 367.287 3.646 20 30 FHEDHN CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](N)CCCC#N ZINC000602535689 567992220 /nfs/dbraw/zinc/99/22/20/567992220.db2.gz XMSPRUNMSSYCLW-MRXNPFEDSA-N 0 3 355.404 3.711 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000602578995 567993485 /nfs/dbraw/zinc/99/34/85/567993485.db2.gz QKFIAHUVTIDOHA-UTUOFQBUSA-N 0 3 374.432 3.939 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000602581580 567993748 /nfs/dbraw/zinc/99/37/48/567993748.db2.gz USEASPKQESMWOK-JKSUJKDBSA-N 0 3 354.454 3.529 20 30 FHEDHN C[C@@H](CCC#N)CN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000602591287 567995035 /nfs/dbraw/zinc/99/50/35/567995035.db2.gz YKQCOLPCQNUOKR-MGPUTAFESA-N 0 3 374.481 3.848 20 30 FHEDHN COc1ccccc1[C@@H](CN[C@@H](C)CC1(C#N)CCOCC1)OC(C)C ZINC000602620624 567998581 /nfs/dbraw/zinc/99/85/81/567998581.db2.gz YOPDAZVLNIBZGL-FXAWDEMLSA-N 0 3 360.498 3.850 20 30 FHEDHN N#Cc1cc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)ccc1F ZINC000481621932 568068797 /nfs/dbraw/zinc/06/87/97/568068797.db2.gz GVTGYFMOQSKWLT-CQSZACIVSA-N 0 3 372.469 3.793 20 30 FHEDHN CCC[C@H](N)c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603180992 568073979 /nfs/dbraw/zinc/07/39/79/568073979.db2.gz QRRMCTUWPJRTHT-FQEVSTJZSA-N 0 3 359.477 3.978 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCNC(=O)c1ccccc1Cl ZINC000481649049 568080196 /nfs/dbraw/zinc/08/01/96/568080196.db2.gz BZNSYVXDAPAJJV-HXUWFJFHSA-N 0 3 367.880 3.999 20 30 FHEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000481647061 568080475 /nfs/dbraw/zinc/08/04/75/568080475.db2.gz ZKMZZBAGQDYCDO-ZHRRBRCNSA-N 0 3 372.472 3.714 20 30 FHEDHN CCc1ccc(CN(C[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000603845741 568157129 /nfs/dbraw/zinc/15/71/29/568157129.db2.gz NKQFMVLSVQRTJO-JOCHJYFZSA-N 0 3 364.489 3.719 20 30 FHEDHN C=CCN(CC=C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(C)C ZINC000603845673 568157147 /nfs/dbraw/zinc/15/71/47/568157147.db2.gz HTWNCNSEHMMMKQ-LJQANCHMSA-N 0 3 372.469 3.590 20 30 FHEDHN Cc1cccc(OC[C@H](O)CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481913854 568182068 /nfs/dbraw/zinc/18/20/68/568182068.db2.gz HXTQVFOHAVLYQY-KNQAVFIVSA-N 0 3 350.462 3.664 20 30 FHEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000128758471 568259112 /nfs/dbraw/zinc/25/91/12/568259112.db2.gz WHHONWFOWYWFGQ-QGZVFWFLSA-N 0 3 363.461 3.869 20 30 FHEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000303638359 568268120 /nfs/dbraw/zinc/26/81/20/568268120.db2.gz HHOKNOYEBFHKHV-HGHGUNKESA-N 0 3 357.473 3.626 20 30 FHEDHN N#CC(C(=O)c1cccc(-c2cscn2)c1)c1nnc2n1CCCCC2 ZINC000525796165 568287133 /nfs/dbraw/zinc/28/71/33/568287133.db2.gz PJKKDBSQNUNMNX-OAHLLOKOSA-N 0 3 363.446 3.618 20 30 FHEDHN CC(C)N(Cc1ccc(F)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604501462 568301829 /nfs/dbraw/zinc/30/18/29/568301829.db2.gz XLIOMBDFGPADCP-FQEVSTJZSA-N 0 3 356.441 3.542 20 30 FHEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)NCC#Cc2ccccc2)CC1 ZINC000604785692 568366486 /nfs/dbraw/zinc/36/64/86/568366486.db2.gz VHBZIHRURMUFNG-LJQANCHMSA-N 0 3 361.489 3.563 20 30 FHEDHN Cc1cc(C#N)cc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000569570408 568408091 /nfs/dbraw/zinc/40/80/91/568408091.db2.gz KDANDSGNOOCVCY-PZJWPPBQSA-N 0 3 360.461 3.605 20 30 FHEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H]1CCOc2ccccc21)C(C)C ZINC000605128116 568580219 /nfs/dbraw/zinc/58/02/19/568580219.db2.gz XJURCHPFUDDINP-ICSRJNTNSA-N 0 3 356.510 3.758 20 30 FHEDHN N#Cc1ccc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)cc1F ZINC000225536765 571337079 /nfs/dbraw/zinc/33/70/79/571337079.db2.gz TWSIGULIBTWMCW-CYBMUJFWSA-N 0 3 352.335 3.819 20 30 FHEDHN CC(C)CN1CCN(c2nc3cc(F)c(F)cc3c(Cl)c2C#N)CC1 ZINC001164663250 719340781 /nfs/dbraw/zinc/34/07/81/719340781.db2.gz XLEHHRVODZERHN-UHFFFAOYSA-N 0 3 364.827 3.816 20 30 FHEDHN CC(C)[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N1CCc2ccccc2C1 ZINC000583124185 937145862 /nfs/dbraw/zinc/14/58/62/937145862.db2.gz QUXAZGSJDUHBQP-NZQKXSOJSA-N 0 3 365.521 3.660 20 30 FHEDHN COC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C(C)C ZINC000430149833 927359137 /nfs/dbraw/zinc/35/91/37/927359137.db2.gz QZDSUOAMSJOZMW-HOCLYGCPSA-N 0 3 354.372 3.597 20 30 FHEDHN CN(CC(C)(C)C#N)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000458408566 937186248 /nfs/dbraw/zinc/18/62/48/937186248.db2.gz LCMOEDNIROFLCO-LJQANCHMSA-N 0 3 370.541 3.651 20 30 FHEDHN CN1CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000248042992 937198943 /nfs/dbraw/zinc/19/89/43/937198943.db2.gz MHBPOHATSNUEMQ-ZWKOTPCHSA-N 0 3 354.841 3.779 20 30 FHEDHN CN1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000248042984 937199005 /nfs/dbraw/zinc/19/90/05/937199005.db2.gz MHBPOHATSNUEMQ-QZTJIDSGSA-N 0 3 354.841 3.779 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2sccc2c1 ZINC000471199995 928965696 /nfs/dbraw/zinc/96/56/96/928965696.db2.gz RDSCICPEKMFPMT-UHFFFAOYSA-N 0 3 363.486 3.977 20 30 FHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(CCC#N)CC1 ZINC000583319012 937343499 /nfs/dbraw/zinc/34/34/99/937343499.db2.gz UGHVLRZBNCUEBX-OAQYLSRUSA-N 0 3 370.541 3.868 20 30 FHEDHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000610360187 930123829 /nfs/dbraw/zinc/12/38/29/930123829.db2.gz VBBWXINXSBSBAE-OXJNMPFZSA-N 0 3 365.452 3.787 20 30 FHEDHN C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000610360185 930124117 /nfs/dbraw/zinc/12/41/17/930124117.db2.gz VBBWXINXSBSBAE-JXFKEZNVSA-N 0 3 365.452 3.787 20 30 FHEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CC[C@@H](C)c2ccccc2)cc1 ZINC000160430073 930364913 /nfs/dbraw/zinc/36/49/13/930364913.db2.gz KRZQNQDVTUWRJB-UZLBHIALSA-N 0 3 364.445 3.604 20 30 FHEDHN C[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000610407150 930406970 /nfs/dbraw/zinc/40/69/70/930406970.db2.gz UYOIVYPLBKHZCN-KRWDZBQOSA-N 0 3 354.498 3.527 20 30 FHEDHN N#CC(C(=O)CC(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCC1 ZINC000175939727 930528088 /nfs/dbraw/zinc/52/80/88/930528088.db2.gz HJSSVMUQCSOAQI-JOCHJYFZSA-N 0 3 374.484 3.809 20 30 FHEDHN N#Cc1cccc(COc2cccc(NC(=O)C34CCCN3CCC4)c2)c1 ZINC000548082241 930549854 /nfs/dbraw/zinc/54/98/54/930549854.db2.gz YBVBYCGOOKBINJ-UHFFFAOYSA-N 0 3 361.445 3.704 20 30 FHEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000580475211 930723482 /nfs/dbraw/zinc/72/34/82/930723482.db2.gz IWVXZNJCIKYOOP-QZNHQXDQSA-N 0 3 361.489 3.711 20 30 FHEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000610446368 930813945 /nfs/dbraw/zinc/81/39/45/930813945.db2.gz VBNIDOBYAUWVOT-LJQANCHMSA-N 0 3 361.489 3.614 20 30 FHEDHN C[C@H]1OCC[C@@]1(O)CN(CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000684108584 931336171 /nfs/dbraw/zinc/33/61/71/931336171.db2.gz GOIGWTFZJGWZLE-XMSQKQJNSA-N 0 3 369.892 3.734 20 30 FHEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126585852 932260374 /nfs/dbraw/zinc/26/03/74/932260374.db2.gz ZSBURPAYUXHOJE-ZDUSSCGKSA-N 0 3 350.346 3.864 20 30 FHEDHN COc1ccc([C@@H]2CCCN2CCOc2ccc(C#N)cc2OC)cc1 ZINC000157333183 932355197 /nfs/dbraw/zinc/35/51/97/932355197.db2.gz VRCQYFNXVQZEHX-IBGZPJMESA-N 0 3 352.434 3.791 20 30 FHEDHN C=CCOc1c(Br)cc(CN(C)[C@H](C)COC)cc1OCC ZINC000510444144 932413946 /nfs/dbraw/zinc/41/39/46/932413946.db2.gz BBPLCMXOCPWNQF-CYBMUJFWSA-N 0 3 372.303 3.879 20 30 FHEDHN N#Cc1cccc(OCCCN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000477219356 932416348 /nfs/dbraw/zinc/41/63/48/932416348.db2.gz UEIRVYGWEABKHJ-LJQANCHMSA-N 0 3 350.418 3.893 20 30 FHEDHN Cc1sc(=O)n(CC(=O)C(C#N)c2nc(-c3ccccc3)cs2)c1C ZINC000121423016 932456597 /nfs/dbraw/zinc/45/65/97/932456597.db2.gz JCBIOZPIKXLFTP-CQSZACIVSA-N 0 3 369.471 3.527 20 30 FHEDHN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000558997707 932551461 /nfs/dbraw/zinc/55/14/61/932551461.db2.gz KHWBBEPSNKKNME-LJQANCHMSA-N 0 3 353.514 3.606 20 30 FHEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(OC(F)(F)F)cc2)sc1C ZINC000155655447 932597380 /nfs/dbraw/zinc/59/73/80/932597380.db2.gz GMYJJVFQUDSIBN-LBPRGKRZSA-N 0 3 355.341 3.904 20 30 FHEDHN CCN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000588457172 933623477 /nfs/dbraw/zinc/62/34/77/933623477.db2.gz GVVILYYMZVXFRC-OTDUKCBNSA-N 0 3 359.473 3.694 20 30 FHEDHN C=C(C)COc1cc(CN2CCC(C(=O)N(CC)CC)CC2)ccc1OC ZINC000092593293 934102419 /nfs/dbraw/zinc/10/24/19/934102419.db2.gz JAVVJGLTVSPXJP-UHFFFAOYSA-N 0 3 374.525 3.731 20 30 FHEDHN C=C(C)COc1cc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)ccc1OC ZINC000092706629 934140990 /nfs/dbraw/zinc/14/09/90/934140990.db2.gz KWYMJAWHTMTVQD-IBGZPJMESA-N 0 3 374.525 3.634 20 30 FHEDHN C=CCC[C@H](C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000427143257 934445883 /nfs/dbraw/zinc/44/58/83/934445883.db2.gz HSLVYTKDLGDHPZ-ZVDOUQERSA-N 0 3 358.526 3.742 20 30 FHEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000472019099 934836442 /nfs/dbraw/zinc/83/64/42/934836442.db2.gz PRYGYSLNARNRKG-UHFFFAOYSA-N 0 3 373.541 3.664 20 30 FHEDHN Cc1cnc(C2CCN(CCC(=O)Nc3ccccc3C#N)CC2)s1 ZINC000277380565 935047004 /nfs/dbraw/zinc/04/70/04/935047004.db2.gz JRHVIKQVHCVLLE-UHFFFAOYSA-N 0 3 354.479 3.531 20 30 FHEDHN CCCCc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051654668 935651191 /nfs/dbraw/zinc/65/11/91/935651191.db2.gz CUFGAWVIHUNVEL-IBGZPJMESA-N 0 3 368.477 3.760 20 30 FHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000127664792 935713439 /nfs/dbraw/zinc/71/34/39/935713439.db2.gz PALPMRVARPCLKG-MRXNPFEDSA-N 0 3 356.809 3.683 20 30 FHEDHN C=CCCn1cc(CNCC(C)(C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000657445102 935772650 /nfs/dbraw/zinc/77/26/50/935772650.db2.gz YQKUQTJYVFYAGG-UHFFFAOYSA-N 0 3 352.404 3.940 20 30 FHEDHN N#Cc1ccc(NC(=O)CCN2CCC=C(c3ccco3)C2)cc1Cl ZINC000511146471 935794847 /nfs/dbraw/zinc/79/48/47/935794847.db2.gz YCVAOYHEXDUPAR-UHFFFAOYSA-N 0 3 355.825 3.923 20 30 FHEDHN C=CCCn1cc(CN[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)nn1 ZINC000657498114 935877388 /nfs/dbraw/zinc/87/73/88/935877388.db2.gz NTSZSBVJZSSJSW-CQSZACIVSA-N 0 3 355.873 3.636 20 30 FHEDHN N#CCCn1cc(CN2CCSC3(CCC3)CC2)c(-c2ccncc2)n1 ZINC000582772720 936096866 /nfs/dbraw/zinc/09/68/66/936096866.db2.gz NQUGGJOCVPGPIH-UHFFFAOYSA-N 0 3 367.522 3.720 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC1(O)CCCCCC1 ZINC000426202537 945148791 /nfs/dbraw/zinc/14/87/91/945148791.db2.gz VKRIBGTYGVRULW-KRWDZBQOSA-N 0 3 364.555 3.668 20 30 FHEDHN N#CC(C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CCCCO1 ZINC000121971639 936223197 /nfs/dbraw/zinc/22/31/97/936223197.db2.gz IZHOUIHHCLGOBW-LPHOPBHVSA-N 0 3 364.401 3.695 20 30 FHEDHN CSc1ccc([C@H](CNc2nc3c(cc2C#N)CCC3)N(C)C)cc1 ZINC000583487735 938275369 /nfs/dbraw/zinc/27/53/69/938275369.db2.gz DMMZYNDUQIYTGU-IBGZPJMESA-N 0 3 352.507 3.879 20 30 FHEDHN C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@H]1C(=O)OC(C)(C)C ZINC000583501408 938280404 /nfs/dbraw/zinc/28/04/04/938280404.db2.gz HMARZAYICVKKPC-BHIYHBOVSA-N 0 3 370.493 3.585 20 30 FHEDHN C=CCOc1ccc(CNC(=O)N(CCN(C)C)Cc2ccsc2)cc1 ZINC000458775419 938558088 /nfs/dbraw/zinc/55/80/88/938558088.db2.gz PHWRSMHWWSOAEI-UHFFFAOYSA-N 0 3 373.522 3.586 20 30 FHEDHN CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)N(C)C)cc1 ZINC000458779098 938562914 /nfs/dbraw/zinc/56/29/14/938562914.db2.gz ZXQGVSMORCCOKS-SESVDKBCSA-N 0 3 370.541 3.869 20 30 FHEDHN C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807497 938614776 /nfs/dbraw/zinc/61/47/76/938614776.db2.gz VQQZMZIZZJLIBT-HRAATJIYSA-N 0 3 362.477 3.680 20 30 FHEDHN CCOc1ccc(O)c(/C=N\C[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000588592088 938673805 /nfs/dbraw/zinc/67/38/05/938673805.db2.gz IFLXUNYJPCURDI-KUOTXRDYSA-N 0 3 368.477 3.501 20 30 FHEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2c(s1)CCC2 ZINC000507409913 945214123 /nfs/dbraw/zinc/21/41/23/945214123.db2.gz XOFABHDJNPYEKM-KDOFPFPSSA-N 0 3 365.502 3.955 20 30 FHEDHN C[C@H](N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000093918839 938932173 /nfs/dbraw/zinc/93/21/73/938932173.db2.gz CHUYWGJXZCIKHZ-HOTGVXAUSA-N 0 3 353.441 3.904 20 30 FHEDHN C[C@@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@H]1c1cccc(F)c1 ZINC000472327414 938970877 /nfs/dbraw/zinc/97/08/77/938970877.db2.gz LRUITVSBZWJVIB-MFMILTCTSA-N 0 3 354.425 3.520 20 30 FHEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CCc4ccc(Cl)cc43)C2=O)cc1 ZINC000507418784 945219182 /nfs/dbraw/zinc/21/91/82/945219182.db2.gz BQBYUQWGRYEKRT-PMACEKPBSA-N 0 3 365.864 3.984 20 30 FHEDHN CC(C)(C)OC(=O)N[C@@H](CNCc1ccc(C#N)s1)c1ccccc1 ZINC000176976882 939022851 /nfs/dbraw/zinc/02/28/51/939022851.db2.gz BEWIRNUOAYAOCC-KRWDZBQOSA-N 0 3 357.479 3.975 20 30 FHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc(C)c1F ZINC000120833144 945221261 /nfs/dbraw/zinc/22/12/61/945221261.db2.gz RIXOZLROTFULHA-UHFFFAOYSA-N 0 3 353.441 3.518 20 30 FHEDHN CCOc1cccc(/C=N/C[C@H](c2ccc(OC)c(OC)c2)N(C)C)c1O ZINC000194860827 945228185 /nfs/dbraw/zinc/22/81/85/945228185.db2.gz HMDXJSBRDYKIDH-NEIHUHTASA-N 0 3 372.465 3.530 20 30 FHEDHN CCN(Cc1cc(OC)c2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463374 939169741 /nfs/dbraw/zinc/16/97/41/939169741.db2.gz YNXOEVGMINCVOF-HNNXBMFYSA-N 0 3 352.434 3.921 20 30 FHEDHN N#CC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CCCC1 ZINC000548889635 939199332 /nfs/dbraw/zinc/19/93/32/939199332.db2.gz SLSHPQWWWPAISZ-FCHUYYIVSA-N 0 3 373.500 3.855 20 30 FHEDHN N#CC(C(=O)C[C@H]1CCC2(CCC2)CO1)C(=O)Nc1ccccc1Cl ZINC000892489141 940019044 /nfs/dbraw/zinc/01/90/44/940019044.db2.gz FDKGJMXOJMEIFC-KGLIPLIRSA-N 0 3 360.841 3.727 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000548957514 940252506 /nfs/dbraw/zinc/25/25/06/940252506.db2.gz OUJDYPLPBYDYJK-SFHVURJKSA-N 0 3 356.857 3.945 20 30 FHEDHN COc1cc(CNCc2cc(C)c(Br)s2)ccc1C#N ZINC000582455968 940672955 /nfs/dbraw/zinc/67/29/55/940672955.db2.gz UTZSOPKUFPRBFU-UHFFFAOYSA-N 0 3 351.269 3.989 20 30 FHEDHN COc1cccc([C@@H](CNc2nc(C(C)(C)C)ccc2C#N)N(C)C)c1 ZINC000613409319 940683771 /nfs/dbraw/zinc/68/37/71/940683771.db2.gz VBQPJIYYGSSQJT-GOSISDBHSA-N 0 3 352.482 3.974 20 30 FHEDHN Cc1cccc([C@H]2CCCN2Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000180162984 940722143 /nfs/dbraw/zinc/72/21/43/940722143.db2.gz BFRGERBSMDXWTB-OAQYLSRUSA-N 0 3 357.461 3.999 20 30 FHEDHN CC(=O)N[C@H](CC(=O)N1CCN(C2CCCCC2)CC1)c1cccs1 ZINC000330092511 945353303 /nfs/dbraw/zinc/35/33/03/945353303.db2.gz YVEVIYBFZZNGMN-QGZVFWFLSA-N 0 3 363.527 3.633 20 30 FHEDHN C=CC[C@@H](C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000376340808 940803728 /nfs/dbraw/zinc/80/37/28/940803728.db2.gz MCRYGASFLBYHJO-IFMALSPDSA-N 0 3 363.505 3.770 20 30 FHEDHN C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CCCN3C3CCCC3)cn2)C[C@@H](C)O1 ZINC000330099719 945355983 /nfs/dbraw/zinc/35/59/83/945355983.db2.gz ZYYJNVAMPUEINT-GPMSIDNRSA-N 0 3 372.513 3.690 20 30 FHEDHN Cc1nccc(NC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)n1 ZINC000330102769 945358274 /nfs/dbraw/zinc/35/82/74/945358274.db2.gz GHEQAPPHTZCYFK-HNNXBMFYSA-N 0 3 359.499 3.646 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc(Cn3ccnn3)c2)s1 ZINC000659115466 941086300 /nfs/dbraw/zinc/08/63/00/941086300.db2.gz YULGEDGBWIFRBF-OAHLLOKOSA-N 0 3 365.462 3.570 20 30 FHEDHN C=CCn1c(C)cc(C(=O)CN(CC)C2CCC(C(=O)OCC)CC2)c1C ZINC000549178383 941597620 /nfs/dbraw/zinc/59/76/20/941597620.db2.gz KDWNIQXFQYNLED-UHFFFAOYSA-N 0 3 374.525 3.917 20 30 FHEDHN C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](C)CN1 ZINC000415167051 941648323 /nfs/dbraw/zinc/64/83/23/941648323.db2.gz SBQCQGCKTXSIFF-CABCVRRESA-N 0 3 350.422 3.565 20 30 FHEDHN C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](C)CN1 ZINC000415167052 941648399 /nfs/dbraw/zinc/64/83/99/941648399.db2.gz SBQCQGCKTXSIFF-GJZGRUSLSA-N 0 3 350.422 3.565 20 30 FHEDHN COc1ccccc1O[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000513380472 941877373 /nfs/dbraw/zinc/87/73/73/941877373.db2.gz IFOHTONDGRGAPQ-FQEVSTJZSA-N 0 3 366.461 3.879 20 30 FHEDHN N#CC1(COC(=O)c2ccc3[nH]cnc3c2)CCN(Cc2ccccc2)CC1 ZINC000893115968 942066375 /nfs/dbraw/zinc/06/63/75/942066375.db2.gz VSSBYUDRFAXGAH-UHFFFAOYSA-N 0 3 374.444 3.526 20 30 FHEDHN CN1CC[C@@H](CNc2ccc(Br)cc2C#N)[C@@H]1c1cccnc1 ZINC000377993027 942135729 /nfs/dbraw/zinc/13/57/29/942135729.db2.gz RPGJLWCRUQZNLX-KSSFIOAISA-N 0 3 371.282 3.821 20 30 FHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC(C)(C)CCC#N ZINC000502175128 942264511 /nfs/dbraw/zinc/26/45/11/942264511.db2.gz QOOWCFMFBRCSHE-LJQANCHMSA-N 0 3 358.530 3.772 20 30 FHEDHN C=CCOc1cccc(CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000501120542 942319445 /nfs/dbraw/zinc/31/94/45/942319445.db2.gz MANBHGUNACIZLK-NRFANRHFSA-N 0 3 368.521 3.866 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001125870466 942509815 /nfs/dbraw/zinc/50/98/15/942509815.db2.gz HQIDISURJKVTIQ-WOJBJXKFSA-N 0 3 353.510 3.665 20 30 FHEDHN Cc1ccc(CN2CCC(C#N)(c3ccccn3)CC2)c(-c2cnn(C)c2)c1 ZINC000549410628 942523853 /nfs/dbraw/zinc/52/38/53/942523853.db2.gz FFQJFXVNYUHIHW-UHFFFAOYSA-N 0 3 371.488 3.848 20 30 FHEDHN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000502563428 942544788 /nfs/dbraw/zinc/54/47/88/942544788.db2.gz OCOXIQRKNPZXTQ-COLVAYQJSA-N 0 3 371.815 3.679 20 30 FHEDHN N#CCCN(Cc1ccco1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000502568514 942547697 /nfs/dbraw/zinc/54/76/97/942547697.db2.gz INLZEYKVYGOUBW-SFHVURJKSA-N 0 3 369.440 3.573 20 30 FHEDHN C[C@H](C#N)Oc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000378350007 942630773 /nfs/dbraw/zinc/63/07/73/942630773.db2.gz QEYODSOTWVQDEG-QGZVFWFLSA-N 0 3 361.445 3.893 20 30 FHEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCSC(C)(C)CC1 ZINC000434671980 942857364 /nfs/dbraw/zinc/85/73/64/942857364.db2.gz KZFNHRHJPQUXJU-KOHRHEQBSA-N 0 3 351.560 3.523 20 30 FHEDHN C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](C)S1 ZINC000072771340 943088485 /nfs/dbraw/zinc/08/84/85/943088485.db2.gz DEGAIOOWIZHPRF-STQMWFEESA-N 0 3 363.552 3.653 20 30 FHEDHN CCc1ccc([C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C(C)C)cc1 ZINC000513785182 943101469 /nfs/dbraw/zinc/10/14/69/943101469.db2.gz HPNTYRMATVAFKE-OAQYLSRUSA-N 0 3 370.518 3.881 20 30 FHEDHN CC[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)N1CCc2ccccc2C1 ZINC000435038517 943105975 /nfs/dbraw/zinc/10/59/75/943105975.db2.gz SNRIAMKCSMASPQ-QFIPXVFZSA-N 0 3 373.500 3.543 20 30 FHEDHN CC[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)N1CCc2ccccc2C1 ZINC000435038516 943106250 /nfs/dbraw/zinc/10/62/50/943106250.db2.gz SNRIAMKCSMASPQ-JOCHJYFZSA-N 0 3 373.500 3.543 20 30 FHEDHN CCCCOC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435127538 943180427 /nfs/dbraw/zinc/18/04/27/943180427.db2.gz CPINFQDWHUDEEY-UHFFFAOYSA-N 0 3 367.497 3.640 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2C#N)N2CCCC2)cc1 ZINC000435164052 943224637 /nfs/dbraw/zinc/22/46/37/943224637.db2.gz GSEYLQDJFHLDAZ-FQEVSTJZSA-N 0 3 366.440 3.964 20 30 FHEDHN CCOc1cc(CNCCCC#N)cc(Br)c1OC(F)F ZINC000273070025 943268814 /nfs/dbraw/zinc/26/88/14/943268814.db2.gz ODUFUIOYBMVEPF-UHFFFAOYSA-N 0 3 363.202 3.843 20 30 FHEDHN CS[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000728766642 943326616 /nfs/dbraw/zinc/32/66/16/943326616.db2.gz DZQFEUSYQWNXOE-DZGCQCFKSA-N 0 3 354.431 3.878 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000503912143 943417291 /nfs/dbraw/zinc/41/72/91/943417291.db2.gz RQNAQEOELPJZRX-RQWLHQTBSA-N 0 3 353.510 3.914 20 30 FHEDHN CC1CCN([C@H](CNC(=O)N2CCC(C)(C#N)CC2)c2ccccc2)CC1 ZINC000503987835 943443445 /nfs/dbraw/zinc/44/34/45/943443445.db2.gz PZIAXTKPKXUREU-HXUWFJFHSA-N 0 3 368.525 3.795 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000435502342 943458482 /nfs/dbraw/zinc/45/84/82/943458482.db2.gz QTYUSUFHIPZLQC-OALUTQOASA-N 0 3 365.562 3.652 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000435502344 943458708 /nfs/dbraw/zinc/45/87/08/943458708.db2.gz QTYUSUFHIPZLQC-RTBURBONSA-N 0 3 365.562 3.652 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000435675446 943554996 /nfs/dbraw/zinc/55/49/96/943554996.db2.gz VWQIQDKGIWRILQ-FKBYEOEOSA-N 0 3 364.489 3.615 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000424085555 943721728 /nfs/dbraw/zinc/72/17/28/943721728.db2.gz BGLNIWVIPQWUEP-SFHVURJKSA-N 0 3 357.841 3.879 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000424109506 943734802 /nfs/dbraw/zinc/73/48/02/943734802.db2.gz BDDUDYVTODTIBJ-RBUKOAKNSA-N 0 3 355.869 3.761 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000437478826 943846914 /nfs/dbraw/zinc/84/69/14/943846914.db2.gz CMVKRAPPSMOZKY-HUUCEWRRSA-N 0 3 361.452 3.695 20 30 FHEDHN N#Cc1ccc(NC(=O)CCN2CCS[C@H]3CCCC[C@@H]32)cc1Cl ZINC000437504571 943868136 /nfs/dbraw/zinc/86/81/36/943868136.db2.gz MBPGRSPBRWONCH-IRXDYDNUSA-N 0 3 363.914 3.900 20 30 FHEDHN CC1(C)CC[C@H]2C[C@@H](NCc3cnc4c(C#N)cnn4c3)c3cccc1c32 ZINC000516971269 943872264 /nfs/dbraw/zinc/87/22/64/943872264.db2.gz QWYSRRVHZLSHGH-HNAYVOBHSA-N 0 3 357.461 3.991 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000425442404 943929742 /nfs/dbraw/zinc/92/97/42/943929742.db2.gz JRYBXBCOOYDFEH-UWJYYQICSA-N 0 3 364.493 3.872 20 30 FHEDHN CN(C)[C@H](CNc1nc2cc(Cl)ccn2c1C#N)c1ccc(F)cc1 ZINC000517047412 943950362 /nfs/dbraw/zinc/95/03/62/943950362.db2.gz VHUIORIAQZXDFG-MRXNPFEDSA-N 0 3 357.820 3.713 20 30 FHEDHN C=CCC1(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)CCOCC1 ZINC000424571224 943988611 /nfs/dbraw/zinc/98/86/11/943988611.db2.gz WTRVPLHXQHURIU-HXUWFJFHSA-N 0 3 374.525 3.567 20 30 FHEDHN N#CCCC[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)c1ccccc1 ZINC000418218060 944277744 /nfs/dbraw/zinc/27/77/44/944277744.db2.gz QEJLXKUDZONQIM-SFTDATJTSA-N 0 3 362.477 3.608 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000123848425 944444445 /nfs/dbraw/zinc/44/44/45/944444445.db2.gz FKLKWXGVDWJPIK-CQSZACIVSA-N 0 3 367.792 3.572 20 30 FHEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000425609531 944533653 /nfs/dbraw/zinc/53/36/53/944533653.db2.gz PYEWVPVXRBDDQW-FQEVSTJZSA-N 0 3 359.473 3.765 20 30 FHEDHN N#Cc1ccccc1COc1cccc(CN2CCc3cc[nH]c(=O)c3C2)c1 ZINC000426383912 944610077 /nfs/dbraw/zinc/61/00/77/944610077.db2.gz DAPPSNLPGJRTRH-UHFFFAOYSA-N 0 3 371.440 3.796 20 30 FHEDHN N#Cc1ccc(NCCCCN2CCN(c3ccccc3)CC2)c(F)c1 ZINC000506875172 944712455 /nfs/dbraw/zinc/71/24/55/944712455.db2.gz KSVAYNBTKVCTMG-UHFFFAOYSA-N 0 3 352.457 3.712 20 30 FHEDHN C[C@](C#N)(NC(=O)CN(Cc1ccccc1)[C@@H]1CCCC1(C)C)C1CC1 ZINC000426836067 944855118 /nfs/dbraw/zinc/85/51/18/944855118.db2.gz SXQQQFUPDOIINA-DENIHFKCSA-N 0 3 353.510 3.876 20 30 FHEDHN C=C(C)Cn1c(CC)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000518852233 944865130 /nfs/dbraw/zinc/86/51/30/944865130.db2.gz GPCGSPFWWPQTAB-ROUUACIJSA-N 0 3 353.514 3.516 20 30 FHEDHN N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCN(C4CC4)C3)cc2)cc1 ZINC000518914937 944935206 /nfs/dbraw/zinc/93/52/06/944935206.db2.gz QVSITLFODKSEHR-SFHVURJKSA-N 0 3 361.445 3.511 20 30 FHEDHN N#Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000426128917 944986552 /nfs/dbraw/zinc/98/65/52/944986552.db2.gz PFNINDYZWQIVHR-INIZCTEOSA-N 0 3 354.841 3.608 20 30 FHEDHN N#Cc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)c(Cl)c1 ZINC000426151027 945030302 /nfs/dbraw/zinc/03/03/02/945030302.db2.gz USUXIXSLPGUSAT-UHFFFAOYSA-N 0 3 360.889 3.941 20 30 FHEDHN C=C(Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001270172487 945041152 /nfs/dbraw/zinc/04/11/52/945041152.db2.gz WMCVXZOAVHLOFE-ROUUACIJSA-N 0 3 366.427 3.803 20 30 FHEDHN CCc1nnc(C2CCN(CC(=O)N[C@@H]3CCCc4ccccc43)CC2)[nH]1 ZINC000330143884 945375060 /nfs/dbraw/zinc/37/50/60/945375060.db2.gz ZFMRWPIAGCJQFM-GOSISDBHSA-N 0 3 367.497 3.581 20 30 FHEDHN Cc1cc(N2CCCC[C@@H]2C)ccc1[NH+]=C([O-])N[C@@H]1CCn2ccnc2C1 ZINC000330263994 945432547 /nfs/dbraw/zinc/43/25/47/945432547.db2.gz XIIPIMSYENEINZ-DLBZAZTESA-N 0 3 367.497 3.911 20 30 FHEDHN Cc1cc(O[C@@H](C)C(=O)C(C#N)c2nnc3n2CCCCC3)ccc1Cl ZINC000125005905 945460362 /nfs/dbraw/zinc/46/03/62/945460362.db2.gz RUVVJEJATXSLKH-DZGCQCFKSA-N 0 3 372.856 3.610 20 30 FHEDHN N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)o2)cc1 ZINC000281065638 945515048 /nfs/dbraw/zinc/51/50/48/945515048.db2.gz SKSKANINAHRDNE-OTWHNJEPSA-N 0 3 366.465 3.514 20 30 FHEDHN Cc1nc2c(n1[C@@H]1CCN([C@H](C)C(=O)NC3CCCCC3)C1)CCCC2 ZINC000330347354 945637042 /nfs/dbraw/zinc/63/70/42/945637042.db2.gz HMXUCZXMFKXPLC-CRAIPNDOSA-N 0 3 358.530 3.995 20 30 FHEDHN CCC(CC)[C@H](C(=O)C(C#N)c1nc(C(C)C)cs1)N1CCOCC1 ZINC000125193513 945680566 /nfs/dbraw/zinc/68/05/66/945680566.db2.gz SKYVWOPBOYFJJY-DOTOQJQBSA-N 0 3 363.527 3.580 20 30 FHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2C(C)C)cc1 ZINC000522711600 945703658 /nfs/dbraw/zinc/70/36/58/945703658.db2.gz GXGAXWAFCRNDMS-HXUWFJFHSA-N 0 3 357.498 3.842 20 30 FHEDHN C=CC[C@@H]1CCCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000661100440 945729971 /nfs/dbraw/zinc/72/99/71/945729971.db2.gz AYFHDJFXPVOVSI-ODIFPOPNSA-N 0 3 373.463 3.789 20 30 FHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000661116753 945747897 /nfs/dbraw/zinc/74/78/97/945747897.db2.gz ZWEKGQXLTWEMJR-BEFAXECRSA-N 0 3 374.506 3.970 20 30 FHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000661117383 945749906 /nfs/dbraw/zinc/74/99/06/945749906.db2.gz QMAGWPRGNRHRBH-HIFRSBDPSA-N 0 3 357.454 3.577 20 30 FHEDHN CN(C)C(=O)CCCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000519857832 945825232 /nfs/dbraw/zinc/82/52/32/945825232.db2.gz LGGTWZNARWGZSU-UHFFFAOYSA-N 0 3 353.441 3.568 20 30 FHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(CC(C)C)C2CC2)c1C#N ZINC000044898355 945850476 /nfs/dbraw/zinc/85/04/76/945850476.db2.gz PWBYAKSPLIMDPL-UHFFFAOYSA-N 0 3 368.481 3.677 20 30 FHEDHN N#CCCC[C@@H](NC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000415973675 945939600 /nfs/dbraw/zinc/93/96/00/945939600.db2.gz NCVOSUQWYWYDRX-LJQANCHMSA-N 0 3 364.449 3.725 20 30 FHEDHN C=CCc1cccc(C(C)C)c1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281935502 945965048 /nfs/dbraw/zinc/96/50/48/945965048.db2.gz UGEUIIFNWUZORJ-UHFFFAOYSA-N 0 3 372.557 3.686 20 30 FHEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cc1c(C)cc(C#N)cc1C ZINC001271405247 946000901 /nfs/dbraw/zinc/00/09/01/946000901.db2.gz UNKLSDOCDDGXMX-JTHBVZDNSA-N 0 3 373.500 3.861 20 30 FHEDHN C=CC[C@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)C1 ZINC000661382178 946049904 /nfs/dbraw/zinc/04/99/04/946049904.db2.gz UBFIICRIABJQPY-HKUYNNGSSA-N 0 3 372.509 3.655 20 30 FHEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000441357175 946476130 /nfs/dbraw/zinc/47/61/30/946476130.db2.gz NKNJMPLKWUVXQM-FQEVSTJZSA-N 0 3 355.526 3.981 20 30 FHEDHN C=CCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C(C)(C)C ZINC000661755667 946591498 /nfs/dbraw/zinc/59/14/98/946591498.db2.gz OHAUQYCCKNZMQV-GOSISDBHSA-N 0 3 372.509 3.798 20 30 FHEDHN Cc1csc(C(C#N)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000444445714 946798554 /nfs/dbraw/zinc/79/85/54/946798554.db2.gz SAOUEDBBNVIVKZ-OAHLLOKOSA-N 0 3 359.410 3.936 20 30 FHEDHN Cc1ccc(CN(CCN(C)C)C(=O)C[C@@H](CC#N)c2ccccc2)o1 ZINC000475317236 946881211 /nfs/dbraw/zinc/88/12/11/946881211.db2.gz YTGCLMDSYCOERA-LJQANCHMSA-N 0 3 353.466 3.566 20 30 FHEDHN C#CCN(CC[C@H]1CCOC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000783567455 946935102 /nfs/dbraw/zinc/93/51/02/946935102.db2.gz PKZJGZFRJVBXKG-YOEHRIQHSA-N 0 3 364.283 3.635 20 30 FHEDHN CC(C)N1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000523153264 946954876 /nfs/dbraw/zinc/95/48/76/946954876.db2.gz ZOVJHGSPEFIWKR-UHFFFAOYSA-N 0 3 362.477 3.858 20 30 FHEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1CCCOc2ccccc21 ZINC000328667458 946973829 /nfs/dbraw/zinc/97/38/29/946973829.db2.gz DNLDKECZMXLOSR-QUCCMNQESA-N 0 3 365.477 3.678 20 30 FHEDHN COc1ccccc1-c1noc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000328853139 947065432 /nfs/dbraw/zinc/06/54/32/947065432.db2.gz SLXNJUNXQODFCX-HOCLYGCPSA-N 0 3 352.438 3.617 20 30 FHEDHN O=C(NCC1(N2CCSCC2)CCCC1)Nc1scnc1C1CC1 ZINC000328913456 947105546 /nfs/dbraw/zinc/10/55/46/947105546.db2.gz PNWBTXJHQCFDEL-UHFFFAOYSA-N 0 3 366.556 3.708 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSCc2cccc(C)c2)c1 ZINC000127124010 947112429 /nfs/dbraw/zinc/11/24/29/947112429.db2.gz DEVLBRJGIJBQOU-GOSISDBHSA-N 0 3 368.458 3.584 20 30 FHEDHN CCN1CCCC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330685886 947233476 /nfs/dbraw/zinc/23/34/76/947233476.db2.gz AGPBYWMRUPSUAK-LBPRGKRZSA-N 0 3 360.424 3.836 20 30 FHEDHN C[C@H](NC[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)nc1 ZINC000931617816 947334427 /nfs/dbraw/zinc/33/44/27/947334427.db2.gz QJUXMDMOQOWGDD-OIBJUYFYSA-N 0 3 366.252 3.700 20 30 FHEDHN CCNC(=O)Nc1ccc(C)c(NC(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000331221082 947372960 /nfs/dbraw/zinc/37/29/60/947372960.db2.gz YKCNOHJAQCSXMX-GOSISDBHSA-N 0 3 360.502 3.790 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000126780294 947399783 /nfs/dbraw/zinc/39/97/83/947399783.db2.gz MROPUVVDTXNABA-WMLDXEAASA-N 0 3 365.880 3.675 20 30 FHEDHN C=CC[C@H]1N(C(=O)NC2CCN(CCOC(C)C)CC2)CCCC1(C)C ZINC000445118374 947526941 /nfs/dbraw/zinc/52/69/41/947526941.db2.gz QVGHYBHSJWBVLE-LJQANCHMSA-N 0 3 365.562 3.652 20 30 FHEDHN C=CC[C@H](C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000188997851 947578265 /nfs/dbraw/zinc/57/82/65/947578265.db2.gz WMPXPSUVCZMOBI-IPJJNNNSSA-N 0 3 370.537 3.694 20 30 FHEDHN CN(C)C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000549616283 948071596 /nfs/dbraw/zinc/07/15/96/948071596.db2.gz KLJLVJZGUWXVEU-QGZVFWFLSA-N 0 3 362.260 3.898 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)CC1 ZINC000432397070 948331096 /nfs/dbraw/zinc/33/10/96/948331096.db2.gz WPPFMUYGIIWZDX-IBGZPJMESA-N 0 3 363.452 3.852 20 30 FHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000481459524 567955783 /nfs/dbraw/zinc/95/57/83/567955783.db2.gz MPNKZUOGUAAJNO-RBUKOAKNSA-N 0 3 370.541 3.846 20 30 FHEDHN Cc1c2cc(C)ccc2[nH]c1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000481469097 567970217 /nfs/dbraw/zinc/97/02/17/567970217.db2.gz VBEVROSLEYAVPZ-UHFFFAOYSA-N 0 3 374.488 3.860 20 30 FHEDHN Cc1cc(F)ccc1N(CC#N)C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000602392197 567974861 /nfs/dbraw/zinc/97/48/61/567974861.db2.gz KXFZBIRJMMYOEY-KBPBESRZSA-N 0 3 358.335 3.738 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccc(C(F)(F)F)cc1 ZINC000602520000 567987102 /nfs/dbraw/zinc/98/71/02/567987102.db2.gz FJGQABOURVWKOG-AWEZNQCLSA-N 0 3 356.388 3.773 20 30 FHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000602526481 567987921 /nfs/dbraw/zinc/98/79/21/567987921.db2.gz XIBHOXUYGPGHIK-KRWDZBQOSA-N 0 3 367.415 3.855 20 30 FHEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000481486527 567992222 /nfs/dbraw/zinc/99/22/22/567992222.db2.gz QBAFBFDCHGROHB-VBKZILBWSA-N 0 3 371.868 3.906 20 30 FHEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(OC[C@@H]2CCOC2)c1 ZINC000602575920 567996675 /nfs/dbraw/zinc/99/66/75/567996675.db2.gz KDLOGUPEJAZMJS-RTBURBONSA-N 0 3 372.509 3.599 20 30 FHEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(OC[C@H]2CCOC2)c1 ZINC000602575915 567996700 /nfs/dbraw/zinc/99/67/00/567996700.db2.gz KDLOGUPEJAZMJS-OALUTQOASA-N 0 3 372.509 3.599 20 30 FHEDHN C[C@H](CCC#N)CN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000602598329 568000089 /nfs/dbraw/zinc/00/00/89/568000089.db2.gz HLMYNVXRCGETPB-AEFFLSMTSA-N 0 3 365.481 3.781 20 30 FHEDHN COc1ccc(CN(Cc2ccc(CC#N)cc2)[C@H](C)CCCO)cc1 ZINC000602966784 568024975 /nfs/dbraw/zinc/02/49/75/568024975.db2.gz RDOAMZOLWJMOCB-GOSISDBHSA-N 0 3 352.478 3.924 20 30 FHEDHN N#CCC1(CN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000602799733 568036201 /nfs/dbraw/zinc/03/62/01/568036201.db2.gz FNGUVBCJPRHINY-UHFFFAOYSA-N 0 3 368.399 3.648 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000481569844 568057199 /nfs/dbraw/zinc/05/71/99/568057199.db2.gz HMOAQAUDQXJXPU-RDJZCZTQSA-N 0 3 353.491 3.638 20 30 FHEDHN C[C@@H](c1cccc(Cl)c1)N(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603843042 568155340 /nfs/dbraw/zinc/15/53/40/568155340.db2.gz RKGKYHQVSMBFRL-HNAYVOBHSA-N 0 3 358.869 3.839 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)CSc1ccc(C#N)cc1)c1ccccc1 ZINC000481949654 568195385 /nfs/dbraw/zinc/19/53/85/568195385.db2.gz AUSOXFMBCOLLCF-FQEVSTJZSA-N 0 3 367.518 3.850 20 30 FHEDHN Cc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1S(C)(=O)=O ZINC000481995162 568221602 /nfs/dbraw/zinc/22/16/02/568221602.db2.gz UXZFRZVDAFKRJQ-HXUWFJFHSA-N 0 3 368.502 3.828 20 30 FHEDHN C=CCOc1ccc(CNCCOc2ccc3c(c2)OCO3)cc1Cl ZINC000303165329 568254633 /nfs/dbraw/zinc/25/46/33/568254633.db2.gz IHZNXANFXMWJEW-UHFFFAOYSA-N 0 3 361.825 3.802 20 30 FHEDHN COc1cc(C#N)ccc1CN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569173767 568299540 /nfs/dbraw/zinc/29/95/40/568299540.db2.gz DIFJUDWHBBTOJN-AZUAARDMSA-N 0 3 373.859 3.894 20 30 FHEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)C(C)C ZINC000604746790 568356415 /nfs/dbraw/zinc/35/64/15/568356415.db2.gz ITBQISQEIKWIDQ-JTDSTZFVSA-N 0 3 362.464 3.883 20 30 FHEDHN COC[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000569704449 568413022 /nfs/dbraw/zinc/41/30/22/568413022.db2.gz OWVCZDZLARRTDI-OAQYLSRUSA-N 0 3 353.441 3.643 20 30 FHEDHN COc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cc(OC)c1OC ZINC000570575816 568487020 /nfs/dbraw/zinc/48/70/20/568487020.db2.gz OWFIJVTZRJJPMC-SFHVURJKSA-N 0 3 352.434 3.751 20 30 FHEDHN C=CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605168059 568595979 /nfs/dbraw/zinc/59/59/79/568595979.db2.gz SFZSQGWDHQWGPW-HOCLYGCPSA-N 0 3 355.404 3.574 20 30 FHEDHN N#Cc1c(C#N)c(N2CC[C@H](N3CCCCC3)C2)nc2c1CCCCCC2 ZINC000408327256 568687948 /nfs/dbraw/zinc/68/79/48/568687948.db2.gz AVRVVFMQCGNSSF-KRWDZBQOSA-N 0 3 363.509 3.549 20 30 FHEDHN N#CCC1CC[NH+](Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000826380568 609430996 /nfs/dbraw/zinc/43/09/96/609430996.db2.gz FKYIGQFPOHPYMP-UHFFFAOYSA-N 0 3 358.449 3.659 20 30 FHEDHN N#CCC1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000826380568 609430998 /nfs/dbraw/zinc/43/09/98/609430998.db2.gz FKYIGQFPOHPYMP-UHFFFAOYSA-N 0 3 358.449 3.659 20 30 FHEDHN Cc1ccc([C@@H](C#N)c2ccc(N3CCN(C4CCCC4)CC3)nn2)cc1 ZINC001165028628 721852742 /nfs/dbraw/zinc/85/27/42/721852742.db2.gz CHXSGQZCJHPPSG-HXUWFJFHSA-N 0 3 361.493 3.505 20 30 FHEDHN Cc1ccc([C@H](C#N)c2ccc(N3CCN(C4CCCC4)CC3)nn2)cc1 ZINC001165028624 721853055 /nfs/dbraw/zinc/85/30/55/721853055.db2.gz CHXSGQZCJHPPSG-FQEVSTJZSA-N 0 3 361.493 3.505 20 30 FHEDHN COC[C@@H]1CCCCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000467119855 936324631 /nfs/dbraw/zinc/32/46/31/936324631.db2.gz SXIDSFHUZYDQLV-VQTJNVASSA-N 0 3 371.525 3.687 20 30 FHEDHN CN(C)CCN(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000176387680 937124058 /nfs/dbraw/zinc/12/40/58/937124058.db2.gz GMPCNYROCWGPDR-UHFFFAOYSA-N 0 3 357.841 3.638 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)c2ccccc2)c1 ZINC000160149655 927044808 /nfs/dbraw/zinc/04/48/08/927044808.db2.gz QIPPHLHVLTUTLP-DNVCBOLYSA-N 0 3 350.418 3.926 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC[C@H](C)c2ccccc2)c1 ZINC000160149792 927045752 /nfs/dbraw/zinc/04/57/52/927045752.db2.gz QIPPHLHVLTUTLP-KXBFYZLASA-N 0 3 350.418 3.926 20 30 FHEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000579720525 927187902 /nfs/dbraw/zinc/18/79/02/927187902.db2.gz CNBFKZDPOWCFMW-GOSISDBHSA-N 0 3 352.400 3.947 20 30 FHEDHN C=CCN1CC[C@H](N(Cc2cccs2)C2Cc3ccccc3C2)C1=O ZINC000579724285 927190695 /nfs/dbraw/zinc/19/06/95/927190695.db2.gz KFRBIRQCYFBARG-FQEVSTJZSA-N 0 3 352.503 3.504 20 30 FHEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc(-c4cccnc4)c3)C2)nc1 ZINC000430174502 927524921 /nfs/dbraw/zinc/52/49/21/927524921.db2.gz WFPWXLHSFBAEQK-OAQYLSRUSA-N 0 3 356.429 3.669 20 30 FHEDHN CN1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccccc1 ZINC000248045270 937198959 /nfs/dbraw/zinc/19/89/59/937198959.db2.gz MVBNXSPZBAHFTQ-FCHUYYIVSA-N 0 3 374.488 3.678 20 30 FHEDHN CC(C)[C@@H](CNC(=O)c1cccc(CC#N)c1)N1CCc2ccccc2C1 ZINC000049657965 928284531 /nfs/dbraw/zinc/28/45/31/928284531.db2.gz QWERKUJIBATDMB-JOCHJYFZSA-N 0 3 361.489 3.565 20 30 FHEDHN CN(C)[C@@H](CNC(=O)CSc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000178830018 937251360 /nfs/dbraw/zinc/25/13/60/937251360.db2.gz MFYGIOKMXIAPMM-KRWDZBQOSA-N 0 3 373.909 3.723 20 30 FHEDHN CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000278157134 937278254 /nfs/dbraw/zinc/27/82/54/937278254.db2.gz AZCPBTCYPGLMMN-FOIQADDNSA-N 0 3 371.506 3.610 20 30 FHEDHN C[C@]1(c2ccccc2)CCCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000510132400 928938892 /nfs/dbraw/zinc/93/88/92/928938892.db2.gz KZLPHISEXHQKFF-QHCPKHFHSA-N 0 3 361.489 3.618 20 30 FHEDHN CN(CC(=O)N(CCC#N)c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000579879183 929114738 /nfs/dbraw/zinc/11/47/38/929114738.db2.gz VQLAOTRJLQESDI-IYBDPMFKSA-N 0 3 367.415 3.986 20 30 FHEDHN C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000610347788 930057241 /nfs/dbraw/zinc/05/72/41/930057241.db2.gz XJVXYBHNNUVAGY-LAUBAEHRSA-N 0 3 362.477 3.756 20 30 FHEDHN C[C@@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1cccc(C#N)c1 ZINC000610351638 930089383 /nfs/dbraw/zinc/08/93/83/930089383.db2.gz BRHLTNIGYARQLT-UTKZUKDTSA-N 0 3 362.477 3.583 20 30 FHEDHN COc1cccc([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccccc2OC)c1 ZINC000175944804 930666389 /nfs/dbraw/zinc/66/63/89/930666389.db2.gz QEGDVMOJRWSXKK-YOEHRIQHSA-N 0 3 366.417 3.545 20 30 FHEDHN COc1cccc([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccccc2OC)c1 ZINC000175944790 930667037 /nfs/dbraw/zinc/66/70/37/930667037.db2.gz QEGDVMOJRWSXKK-RHSMWYFYSA-N 0 3 366.417 3.545 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(F)cc1 ZINC000078557704 930828553 /nfs/dbraw/zinc/82/85/53/930828553.db2.gz XUFWEBJSXQNBEW-UHFFFAOYSA-N 0 3 360.502 3.924 20 30 FHEDHN C=CCN(Cc1ccccc1)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000510388841 931851183 /nfs/dbraw/zinc/85/11/83/931851183.db2.gz LRVDRANDQGIQTF-UHFFFAOYSA-N 0 3 363.505 3.657 20 30 FHEDHN N#Cc1ccc(CN2CCCN(Cc3cccc(OC(F)F)c3)CC2)cc1 ZINC000050959390 931949900 /nfs/dbraw/zinc/94/99/00/931949900.db2.gz NMBZTNGHYGADRV-UHFFFAOYSA-N 0 3 371.431 3.868 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)NC(=O)CS3)s1 ZINC000430599021 932035555 /nfs/dbraw/zinc/03/55/55/932035555.db2.gz PJDLHHJENDYBQY-LLVKDONJSA-N 0 3 371.487 3.975 20 30 FHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000157872069 932445151 /nfs/dbraw/zinc/44/51/51/932445151.db2.gz YUMCDAWZGVPQTR-KRWDZBQOSA-N 0 3 366.417 3.511 20 30 FHEDHN N#CC(C(=O)c1c[nH]nc1-c1c(F)cccc1F)c1nc2ccccc2[nH]1 ZINC000155674142 932600096 /nfs/dbraw/zinc/60/00/96/932600096.db2.gz FRHNFAAHSXWZAY-JTQLQIEISA-N 0 3 363.327 3.721 20 30 FHEDHN C=CCCCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000471700764 932644069 /nfs/dbraw/zinc/64/40/69/932644069.db2.gz LQNZFPHLZPPWHB-SFHVURJKSA-N 0 3 354.416 3.914 20 30 FHEDHN CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000178178730 932762096 /nfs/dbraw/zinc/76/20/96/932762096.db2.gz BNTSPNYEJRHPNQ-OXJNMPFZSA-N 0 3 365.477 3.827 20 30 FHEDHN C#CCC1(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCCCC1 ZINC000276609305 932805159 /nfs/dbraw/zinc/80/51/59/932805159.db2.gz GIJNFOPFNPKZQQ-SFHVURJKSA-N 0 3 353.510 3.697 20 30 FHEDHN N#Cc1ccc(CN2CCCN(c3ccc(-c4ccncc4)cn3)CC2)cc1 ZINC000891620502 932864301 /nfs/dbraw/zinc/86/43/01/932864301.db2.gz BLDSXNQGTNRKAG-UHFFFAOYSA-N 0 3 369.472 3.728 20 30 FHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088374121 933287580 /nfs/dbraw/zinc/28/75/80/933287580.db2.gz BZTHJRDYVSMISX-UHFFFAOYSA-N 0 3 370.453 3.534 20 30 FHEDHN C[C@H](NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610707809 933862996 /nfs/dbraw/zinc/86/29/96/933862996.db2.gz XLNNOLNKTQEXOE-FIKGOQFSSA-N 0 3 362.477 3.581 20 30 FHEDHN C=CCc1cc(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc(OC)c1O ZINC000092754737 934166055 /nfs/dbraw/zinc/16/60/55/934166055.db2.gz ABDHINDWLQCVSI-MRXNPFEDSA-N 0 3 374.525 3.502 20 30 FHEDHN C=CCc1cc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc(OC)c1O ZINC000092754738 934166255 /nfs/dbraw/zinc/16/62/55/934166255.db2.gz ABDHINDWLQCVSI-INIZCTEOSA-N 0 3 374.525 3.502 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2nc3ccc4scnc4c3s2)CC1 ZINC000934026822 934433290 /nfs/dbraw/zinc/43/32/90/934433290.db2.gz OMHDOBKWEWYANG-UHFFFAOYSA-N 0 3 373.507 3.678 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(Cn3cncn3)cc2)s1 ZINC000684676138 934903367 /nfs/dbraw/zinc/90/33/67/934903367.db2.gz VKJDSDYDUYJQMF-HNNXBMFYSA-N 0 3 365.462 3.570 20 30 FHEDHN C=CCCn1cc(CNCC(C)(C)c2ccc(Br)cc2)nn1 ZINC000657313799 935133036 /nfs/dbraw/zinc/13/30/36/935133036.db2.gz SWARQVJWLOUYQQ-UHFFFAOYSA-N 0 3 363.303 3.684 20 30 FHEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc2n[nH]cc2c1 ZINC000507263746 945087275 /nfs/dbraw/zinc/08/72/75/945087275.db2.gz CPFXNXFJCRYACX-CVEARBPZSA-N 0 3 361.449 3.549 20 30 FHEDHN C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(C#N)cc1F ZINC000551393462 935269039 /nfs/dbraw/zinc/26/90/39/935269039.db2.gz ICXFLMBJAPDGNX-FXAWDEMLSA-N 0 3 367.468 3.639 20 30 FHEDHN CCOC(=O)c1cnn(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1C ZINC000375678685 935394404 /nfs/dbraw/zinc/39/44/04/935394404.db2.gz KOAQLPOOVNYBSK-HNNXBMFYSA-N 0 3 366.465 3.638 20 30 FHEDHN N#Cc1ccc(OC2CCN(Cc3ccc4[nH]cnc4c3)CC2)c(F)c1 ZINC000582327946 935525941 /nfs/dbraw/zinc/52/59/41/935525941.db2.gz DYADBJIXXLHFHP-UHFFFAOYSA-N 0 3 350.397 3.617 20 30 FHEDHN N#Cc1ccc(OC2CCN(Cc3ccc4nc[nH]c4c3)CC2)c(F)c1 ZINC000582327946 935525945 /nfs/dbraw/zinc/52/59/45/935525945.db2.gz DYADBJIXXLHFHP-UHFFFAOYSA-N 0 3 350.397 3.617 20 30 FHEDHN C=CCC[C@H](C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000427143256 945121652 /nfs/dbraw/zinc/12/16/52/945121652.db2.gz HSLVYTKDLGDHPZ-ZJOUEHCJSA-N 0 3 358.526 3.742 20 30 FHEDHN CC(C)(C#N)CCCCN[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000277737458 935868479 /nfs/dbraw/zinc/86/84/79/935868479.db2.gz OQBYQLJTVHLDDC-KRWDZBQOSA-N 0 3 355.404 3.716 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)ccc2Br)CC1 ZINC000152980338 935890601 /nfs/dbraw/zinc/89/06/01/935890601.db2.gz HCIHHBYXWHYVJL-UHFFFAOYSA-N 0 3 351.288 3.528 20 30 FHEDHN C[C@H]1CCCCN1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000479868501 935909778 /nfs/dbraw/zinc/90/97/78/935909778.db2.gz YVIBOQCYYNQRFS-KRWDZBQOSA-N 0 3 363.461 3.955 20 30 FHEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000518173093 945142260 /nfs/dbraw/zinc/14/22/60/945142260.db2.gz SFVKRPVOYNZJAJ-FQEVSTJZSA-N 0 3 351.450 3.662 20 30 FHEDHN N#CC(C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccn1 ZINC000102122899 936083888 /nfs/dbraw/zinc/08/38/88/936083888.db2.gz VEXXVLZFSHBFOW-GFCCVEGCSA-N 0 3 362.216 3.669 20 30 FHEDHN C=CCC1(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCOCC1 ZINC000657633764 936124296 /nfs/dbraw/zinc/12/42/96/936124296.db2.gz WEKRLXDDHMLHJO-UHFFFAOYSA-N 0 3 367.280 3.789 20 30 FHEDHN C=CCOCCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000657658235 936177139 /nfs/dbraw/zinc/17/71/39/936177139.db2.gz PYUXJFYRNJWQDS-UHFFFAOYSA-N 0 3 350.260 3.522 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C#N)cc1 ZINC000052485612 938339248 /nfs/dbraw/zinc/33/92/48/938339248.db2.gz MJBSLWITSPEDBK-UHFFFAOYSA-N 0 3 367.522 3.656 20 30 FHEDHN Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1cccc(CN2CCCCC2)c1 ZINC000573185567 938690074 /nfs/dbraw/zinc/69/00/74/938690074.db2.gz VIPYGSGKSXFAQU-UHFFFAOYSA-N 0 3 372.472 3.611 20 30 FHEDHN Cc1noc(C)c1[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000159786695 938787651 /nfs/dbraw/zinc/78/76/51/938787651.db2.gz HMHWSQNWEBZBEW-QPUJVOFHSA-N 0 3 363.776 3.535 20 30 FHEDHN CC1(C#N)CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000506018465 945207339 /nfs/dbraw/zinc/20/73/39/945207339.db2.gz WAAIINSLIWNPIT-FQEVSTJZSA-N 0 3 367.518 3.969 20 30 FHEDHN CC(C)C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000128195629 938878203 /nfs/dbraw/zinc/87/82/03/938878203.db2.gz VSQSRVIIZRLFJM-FQEVSTJZSA-N 0 3 356.491 3.709 20 30 FHEDHN CC(C)(C#N)CCCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163855511 938970532 /nfs/dbraw/zinc/97/05/32/938970532.db2.gz IFKHKLOESWTHAS-UHFFFAOYSA-N 0 3 364.331 3.897 20 30 FHEDHN N#CCc1cccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000138677466 938971890 /nfs/dbraw/zinc/97/18/90/938971890.db2.gz NCFQTRFCWXMKPM-UHFFFAOYSA-N 0 3 365.502 3.596 20 30 FHEDHN N#Cc1ccc(N2CCC[C@@H](N[C@H]3CCc4ccc(Cl)cc43)C2=O)cc1 ZINC000507418789 945219317 /nfs/dbraw/zinc/21/93/17/945219317.db2.gz BQBYUQWGRYEKRT-VQTJNVASSA-N 0 3 365.864 3.984 20 30 FHEDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000472336196 938994069 /nfs/dbraw/zinc/99/40/69/938994069.db2.gz DNWZTOKTDSUPEX-AGHHOFFYSA-N 0 3 359.473 3.617 20 30 FHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472355625 939020102 /nfs/dbraw/zinc/02/01/02/939020102.db2.gz YIZNSMYMRBNWQX-GGPKGHCWSA-N 0 3 353.510 3.671 20 30 FHEDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000472357573 939048080 /nfs/dbraw/zinc/04/80/80/939048080.db2.gz BOYIYUXMEHKDDM-CTNGQTDRSA-N 0 3 361.489 3.886 20 30 FHEDHN CN1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccccc1 ZINC000179476474 939171214 /nfs/dbraw/zinc/17/12/14/939171214.db2.gz MVBNXSPZBAHFTQ-VXKWHMMOSA-N 0 3 374.488 3.678 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000519286964 945272240 /nfs/dbraw/zinc/27/22/40/945272240.db2.gz NSZLMWABZLFIMT-UHFFFAOYSA-N 0 3 366.303 3.920 20 30 FHEDHN C=CCN1CCC(NC(=O)N(CCc2ccccc2F)C2CCCC2)CC1 ZINC000519302542 945290956 /nfs/dbraw/zinc/29/09/56/945290956.db2.gz FMLHNVZFORHWOC-UHFFFAOYSA-N 0 3 373.516 3.973 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000892497472 940072709 /nfs/dbraw/zinc/07/27/09/940072709.db2.gz RHOSXMDUGCPUGX-HYFFOGBASA-N 0 3 362.429 3.710 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc2ccccc21 ZINC000065931192 940078963 /nfs/dbraw/zinc/07/89/63/940078963.db2.gz PDUQPQZVVHTLPW-UHFFFAOYSA-N 0 3 371.484 3.844 20 30 FHEDHN N#CCc1ccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000544144866 945307403 /nfs/dbraw/zinc/30/74/03/945307403.db2.gz CKNNWJWMKGQZQG-UHFFFAOYSA-N 0 3 359.433 3.577 20 30 FHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000466920390 940299757 /nfs/dbraw/zinc/29/97/57/940299757.db2.gz PKMVALFPGGJCCB-DOMZBBRYSA-N 0 3 353.919 3.582 20 30 FHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000466920392 940300048 /nfs/dbraw/zinc/30/00/48/940300048.db2.gz PKMVALFPGGJCCB-SWLSCSKDSA-N 0 3 353.919 3.582 20 30 FHEDHN C=CCOc1ccccc1CNC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000431710899 940366676 /nfs/dbraw/zinc/36/66/76/940366676.db2.gz VBCNSSHPHVQAHI-AEFFLSMTSA-N 0 3 355.438 3.522 20 30 FHEDHN Cc1cc(Cl)c2ncc(C#N)c(NCCN3CCN(C)C(C)(C)C3)c2c1 ZINC000548987678 940441809 /nfs/dbraw/zinc/44/18/09/940441809.db2.gz GUIDVWSTIAFDOG-UHFFFAOYSA-N 0 3 371.916 3.506 20 30 FHEDHN C=CCN1CCC(NC(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC1 ZINC000511440366 940473963 /nfs/dbraw/zinc/47/39/63/940473963.db2.gz RCIRYYMKXPVQRW-NUZGMZIFSA-N 0 3 353.510 3.757 20 30 FHEDHN N#CC(C(=O)CSc1cccc2cccc(Cl)c21)C(=O)N1CCCC1 ZINC000124670613 945318322 /nfs/dbraw/zinc/31/83/22/945318322.db2.gz OTLGBVLZCZRDBC-CQSZACIVSA-N 0 3 372.877 3.917 20 30 FHEDHN C#CCSCC(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000892537529 940501778 /nfs/dbraw/zinc/50/17/78/940501778.db2.gz DINYWBHCIDSVNR-JTQLQIEISA-N 0 3 354.378 3.858 20 30 FHEDHN N#Cc1ccc([C@H](N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C(N)=O)cc1 ZINC000581874552 940628871 /nfs/dbraw/zinc/62/88/71/940628871.db2.gz HVWCIDHLRQCGOF-QRQLOZEOSA-N 0 3 353.853 3.664 20 30 FHEDHN N#CCC[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)c1ccccc1 ZINC000440247575 945338308 /nfs/dbraw/zinc/33/83/08/945338308.db2.gz XVJATTNJNAJVIR-NRFANRHFSA-N 0 3 368.525 3.939 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000174323792 940720570 /nfs/dbraw/zinc/72/05/70/940720570.db2.gz TVPUBAHEHBSTSR-UHFFFAOYSA-N 0 3 355.404 3.953 20 30 FHEDHN Cc1cccc([C@@H]2CCCN2Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000180162965 940721879 /nfs/dbraw/zinc/72/18/79/940721879.db2.gz BFRGERBSMDXWTB-NRFANRHFSA-N 0 3 357.461 3.999 20 30 FHEDHN CN1CC[C@H](NCc2ccc(Br)cc2C#N)[C@@H]1c1ccccc1 ZINC000582575247 940732039 /nfs/dbraw/zinc/73/20/39/940732039.db2.gz QFVQAEHSKIVYLG-OALUTQOASA-N 0 3 370.294 3.856 20 30 FHEDHN CC(C)(C)CCN1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000440255396 945345982 /nfs/dbraw/zinc/34/59/82/945345982.db2.gz MOJWMEXPPHWDIC-IBGZPJMESA-N 0 3 356.514 3.795 20 30 FHEDHN CC[C@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000330085494 945350194 /nfs/dbraw/zinc/35/01/94/945350194.db2.gz RJHUIUJLVGDQOU-WMZOPIPTSA-N 0 3 352.862 3.588 20 30 FHEDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000177908618 941154001 /nfs/dbraw/zinc/15/40/01/941154001.db2.gz QJNHJQSLONTRLW-UHFFFAOYSA-N 0 3 354.429 3.602 20 30 FHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(C)CC1 ZINC000181538482 941541405 /nfs/dbraw/zinc/54/14/05/941541405.db2.gz JPKQOISNDLBLJB-UHFFFAOYSA-N 0 3 364.449 3.828 20 30 FHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)n1 ZINC000892802434 941569983 /nfs/dbraw/zinc/56/99/83/941569983.db2.gz MLZHDLUBDJMMGI-GJZGRUSLSA-N 0 3 353.447 3.708 20 30 FHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000415067548 941582717 /nfs/dbraw/zinc/58/27/17/941582717.db2.gz USUIDBQLCKFZDM-JKSUJKDBSA-N 0 3 364.449 3.873 20 30 FHEDHN C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)CN1 ZINC000415154515 941636608 /nfs/dbraw/zinc/63/66/08/941636608.db2.gz YBIWQVLXAZVKLS-GJZGRUSLSA-N 0 3 350.422 3.565 20 30 FHEDHN C=CCC[C@H](O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000472744616 941663718 /nfs/dbraw/zinc/66/37/18/941663718.db2.gz CJMULIQZIDJEPT-CVDCTZTESA-N 0 3 367.489 3.978 20 30 FHEDHN N#Cc1cccc(CNCC2=Cc3cc(Br)ccc3OC2)c1 ZINC000236758455 941774960 /nfs/dbraw/zinc/77/49/60/941774960.db2.gz ANLKKLVLOPAFLB-UHFFFAOYSA-N 0 3 355.235 3.886 20 30 FHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2[nH]cc(C(=O)OC)c2C2CC2)c1 ZINC000892972755 941827000 /nfs/dbraw/zinc/82/70/00/941827000.db2.gz LHWYPSHTANPQQB-INIZCTEOSA-N 0 3 367.449 3.649 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000433819274 941917373 /nfs/dbraw/zinc/91/73/73/941917373.db2.gz IWRISVGIAFATER-HXUWFJFHSA-N 0 3 355.526 3.862 20 30 FHEDHN C=C(C)[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1 ZINC000433910401 941980338 /nfs/dbraw/zinc/98/03/38/941980338.db2.gz FLBINSRRSNCRJE-LPHOPBHVSA-N 0 3 363.452 3.898 20 30 FHEDHN CCOc1c(OC)cc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1OC ZINC000728711851 941992457 /nfs/dbraw/zinc/99/24/57/941992457.db2.gz NGEMULJVDIOZGF-OAHLLOKOSA-N 0 3 370.449 3.683 20 30 FHEDHN N#Cc1ccc(OC2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000513724650 942090461 /nfs/dbraw/zinc/09/04/61/942090461.db2.gz IJYRMUPBMHCKQT-UHFFFAOYSA-N 0 3 358.445 3.992 20 30 FHEDHN C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000460807918 942117301 /nfs/dbraw/zinc/11/73/01/942117301.db2.gz GQHDKKHPZNVPAJ-MSOLQXFVSA-N 0 3 365.525 3.831 20 30 FHEDHN N#Cc1ccc(CN2CCC[N@@H+](Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000122824708 942243735 /nfs/dbraw/zinc/24/37/35/942243735.db2.gz VSBHTWHOSROJHU-UHFFFAOYSA-N 0 3 355.869 3.625 20 30 FHEDHN N#Cc1ccc(CN2CCC[N@H+](Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000122824708 942243739 /nfs/dbraw/zinc/24/37/39/942243739.db2.gz VSBHTWHOSROJHU-UHFFFAOYSA-N 0 3 355.869 3.625 20 30 FHEDHN C=CCN(Cc1ccc(CN2CCOCC2)cc1)Cc1cccc(C#N)c1 ZINC000420907930 942248184 /nfs/dbraw/zinc/24/81/84/942248184.db2.gz WBPNOCTVCLVASL-UHFFFAOYSA-N 0 3 361.489 3.579 20 30 FHEDHN COc1cc(C#N)ccc1CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000501208878 942352474 /nfs/dbraw/zinc/35/24/74/942352474.db2.gz LOVJGXGPIDHQIG-OAQYLSRUSA-N 0 3 350.462 3.829 20 30 FHEDHN C=CCC1(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)CCOCC1 ZINC000424846941 942401479 /nfs/dbraw/zinc/40/14/79/942401479.db2.gz JXHMBRDJRXNFGQ-OAQYLSRUSA-N 0 3 372.553 3.977 20 30 FHEDHN N#CC1(c2ccc(C(=O)N3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)cc2)CC1 ZINC000425015065 942501229 /nfs/dbraw/zinc/50/12/29/942501229.db2.gz VAXPUKLRGZIWAK-RBBKRZOGSA-N 0 3 371.484 3.588 20 30 FHEDHN C=CCN(Cc1ccccc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000501779999 942669974 /nfs/dbraw/zinc/66/99/74/942669974.db2.gz YVTLIBUFJXHKSQ-UHFFFAOYSA-N 0 3 363.505 3.833 20 30 FHEDHN C=CCN(C(=O)N[C@H](C)c1ccncc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363821194 942753522 /nfs/dbraw/zinc/75/35/22/942753522.db2.gz LTXDIMRUTPGNRF-NQIIRXRSSA-N 0 3 364.493 3.615 20 30 FHEDHN C=CCN1CCC(NC(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000514231378 942843233 /nfs/dbraw/zinc/84/32/33/942843233.db2.gz WZAHPISQDHTTSU-UHFFFAOYSA-N 0 3 365.880 3.675 20 30 FHEDHN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCc2ccccc2C1 ZINC000434713046 942875669 /nfs/dbraw/zinc/87/56/69/942875669.db2.gz FPPVDVUNUCFJQO-IBGZPJMESA-N 0 3 365.477 3.976 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000473002672 942970191 /nfs/dbraw/zinc/97/01/91/942970191.db2.gz QSBOZEWROCQSLC-AZUAARDMSA-N 0 3 355.526 3.690 20 30 FHEDHN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(OCC#N)cc3)ccc2NC1=O ZINC000271702657 943037959 /nfs/dbraw/zinc/03/79/59/943037959.db2.gz HVGICGBVNQKULK-KUHUBIRLSA-N 0 3 365.433 3.549 20 30 FHEDHN C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000505606776 943176379 /nfs/dbraw/zinc/17/63/79/943176379.db2.gz GQHUAWYWADEVMR-YWZLYKJASA-N 0 3 365.452 3.537 20 30 FHEDHN C[C@H](c1ccncc1)N1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1 ZINC000584586916 943273541 /nfs/dbraw/zinc/27/35/41/943273541.db2.gz OUNRVVHIDYWBLQ-MRXNPFEDSA-N 0 3 361.493 3.865 20 30 FHEDHN CC(C)[C@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000503765062 943362689 /nfs/dbraw/zinc/36/26/89/943362689.db2.gz MIOVRJUNJYGIJF-NHCUHLMSSA-N 0 3 370.541 3.846 20 30 FHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000613733003 943412939 /nfs/dbraw/zinc/41/29/39/943412939.db2.gz JQDMQYXEQXNYJR-HKUYNNGSSA-N 0 3 351.494 3.936 20 30 FHEDHN CC(C)Oc1ccc(NC(=O)NCCN(C)Cc2ccccc2)cc1C#N ZINC000435559487 943498968 /nfs/dbraw/zinc/49/89/68/943498968.db2.gz YQCPNFSEWJMPEB-UHFFFAOYSA-N 0 3 366.465 3.599 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000435728657 943572116 /nfs/dbraw/zinc/57/21/16/943572116.db2.gz OTHPJRVLCJBSOG-KSSFIOAISA-N 0 3 358.463 3.610 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000424062476 943716289 /nfs/dbraw/zinc/71/62/89/943716289.db2.gz LAFMPQITBYLCNB-QGZVFWFLSA-N 0 3 373.403 3.838 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000424105221 943720203 /nfs/dbraw/zinc/72/02/03/943720203.db2.gz VDEAZLWXCNSFQE-MOPGFXCFSA-N 0 3 355.869 3.761 20 30 FHEDHN Cc1csc(Sc2ccc(NC(=O)[C@@H](N)CCCC#N)c(C)c2)n1 ZINC000424113940 943738543 /nfs/dbraw/zinc/73/85/43/943738543.db2.gz PEGPBPIHXIGUHT-AWEZNQCLSA-N 0 3 360.508 3.871 20 30 FHEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424121429 943742214 /nfs/dbraw/zinc/74/22/14/943742214.db2.gz GAJSBOTVKIHOKL-CZUORRHYSA-N 0 3 356.495 3.625 20 30 FHEDHN COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@@H](N)CCCC#N ZINC000424121643 943742979 /nfs/dbraw/zinc/74/29/79/943742979.db2.gz ILXDGTZJQFVXAG-JKSUJKDBSA-N 0 3 351.878 3.573 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC000424128435 943746154 /nfs/dbraw/zinc/74/61/54/943746154.db2.gz RCHXXJGZFYTHAG-LJQANCHMSA-N 0 3 371.481 3.972 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000435883589 943816359 /nfs/dbraw/zinc/81/63/59/943816359.db2.gz ZXSTWAWOTUNAHI-UONOGXRCSA-N 0 3 353.304 3.913 20 30 FHEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)nn1 ZINC000424290962 943822055 /nfs/dbraw/zinc/82/20/55/943822055.db2.gz CWRBVIFBRBEIFJ-IRXDYDNUSA-N 0 3 350.388 3.909 20 30 FHEDHN C=CCCO[C@@H](C)C(=O)N(CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000505001258 943954080 /nfs/dbraw/zinc/95/40/80/943954080.db2.gz QQEBLKLEGZVGRV-FPOVZHCZSA-N 0 3 358.526 3.871 20 30 FHEDHN C=CCN1CC[C@@H](N(C)[C@H](CC)c2ccc(Br)cc2)C1=O ZINC000500017302 943955916 /nfs/dbraw/zinc/95/59/16/943955916.db2.gz UHWGZJLORHMRLQ-HZPDHXFCSA-N 0 3 351.288 3.619 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2nc3c(ccc(F)c3F)s2)CC1 ZINC000500018577 943957116 /nfs/dbraw/zinc/95/71/16/943957116.db2.gz UQMBUICYHKZNQE-UHFFFAOYSA-N 0 3 366.437 3.737 20 30 FHEDHN C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000436100172 944014453 /nfs/dbraw/zinc/01/44/53/944014453.db2.gz JFZARARQMWHAMX-UPJWGTAASA-N 0 3 369.387 3.699 20 30 FHEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000515637909 944071762 /nfs/dbraw/zinc/07/17/62/944071762.db2.gz IPRCJISPKOGHQP-SAABIXHNSA-N 0 3 374.893 3.521 20 30 FHEDHN CN(C)C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000500102687 944099680 /nfs/dbraw/zinc/09/96/80/944099680.db2.gz OTLGJEWWBFKLQZ-PMACEKPBSA-N 0 3 368.456 3.773 20 30 FHEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000517342190 944220484 /nfs/dbraw/zinc/22/04/84/944220484.db2.gz YOHZBEDGMCHSCX-UHFFFAOYSA-N 0 3 356.297 3.785 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCCc2c[nH]c3c2cccc3CC)CC1 ZINC000111495922 944274934 /nfs/dbraw/zinc/27/49/34/944274934.db2.gz WYDBIDXXLNDBSL-UHFFFAOYSA-N 0 3 368.525 3.613 20 30 FHEDHN C=CCC1(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CCOCC1 ZINC000425565874 944351428 /nfs/dbraw/zinc/35/14/28/944351428.db2.gz WSBHHQFYOSRARO-FQEVSTJZSA-N 0 3 358.526 3.632 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCc3c(Cl)c(Cl)ccc3C2)CC1 ZINC000518532249 944462959 /nfs/dbraw/zinc/46/29/59/944462959.db2.gz GPPNXRFSDITPRV-UHFFFAOYSA-N 0 3 368.308 3.712 20 30 FHEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000425612561 944548399 /nfs/dbraw/zinc/54/83/99/944548399.db2.gz UTEFJTXXCGKAKS-PCCBWWKXSA-N 0 3 359.473 3.571 20 30 FHEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CSc1ccc(C#N)cc1 ZINC000425619723 944573061 /nfs/dbraw/zinc/57/30/61/944573061.db2.gz HBWGFEGUWMVIKE-SFHVURJKSA-N 0 3 365.502 3.560 20 30 FHEDHN Cc1cccc2oc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc21 ZINC001125941897 944588142 /nfs/dbraw/zinc/58/81/42/944588142.db2.gz MAGJJDZWPPQSPL-UHFFFAOYSA-N 0 3 361.445 3.817 20 30 FHEDHN C=CCc1cc(OCC)cc(CN(C)[C@H]2CCCc3c2cnn3C)c1O ZINC000162735583 944689133 /nfs/dbraw/zinc/68/91/33/944689133.db2.gz JXVFNOIQHILLOX-IBGZPJMESA-N 0 3 355.482 3.762 20 30 FHEDHN N#CC(C(=O)CCCOCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000140318951 944738848 /nfs/dbraw/zinc/73/88/48/944738848.db2.gz JNYCFSQXAAHSGD-MRXNPFEDSA-N 0 3 370.836 3.984 20 30 FHEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000506273333 944748932 /nfs/dbraw/zinc/74/89/32/944748932.db2.gz PLKHMKCZVBEKMT-UHFFFAOYSA-N 0 3 369.896 3.928 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1C2CC3CC(C2)CC1C3 ZINC000518803958 944784622 /nfs/dbraw/zinc/78/46/22/944784622.db2.gz UQBQKBAUCMYCRY-UHFFFAOYSA-N 0 3 365.521 3.521 20 30 FHEDHN C=CCN1CCC(NC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)CC1 ZINC000518849996 944844691 /nfs/dbraw/zinc/84/46/91/944844691.db2.gz KESLKPIHFFYBRY-UHFFFAOYSA-N 0 3 370.537 3.910 20 30 FHEDHN C=CCN1CCC(NC(=O)NC(C)(C)c2cc(Cl)ccc2OC)CC1 ZINC000425686858 944922140 /nfs/dbraw/zinc/92/21/40/944922140.db2.gz WTTYKJXUZMGDQS-UHFFFAOYSA-N 0 3 365.905 3.533 20 30 FHEDHN C=CCN1CCC(NC(=O)NCC(C)(C)CCCc2ccccc2)CC1 ZINC000506683617 944979156 /nfs/dbraw/zinc/97/91/56/944979156.db2.gz ZZFPBKPMGKJTSU-UHFFFAOYSA-N 0 3 357.542 3.985 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@]2(c3cccc(C)c3)C[C@H]2CC)CC1 ZINC000507185192 945015149 /nfs/dbraw/zinc/01/51/49/945015149.db2.gz YSFJVFRLEIYOEC-GCJKJVERSA-N 0 3 355.526 3.960 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)CC1 ZINC000432080307 945020992 /nfs/dbraw/zinc/02/09/92/945020992.db2.gz NXYIYMAGAALBDT-HXUWFJFHSA-N 0 3 353.510 3.964 20 30 FHEDHN CCc1nnc(C2CCN(CC(=O)N[C@H]3CCCc4ccccc43)CC2)[nH]1 ZINC000330143885 945375533 /nfs/dbraw/zinc/37/55/33/945375533.db2.gz ZFMRWPIAGCJQFM-SFHVURJKSA-N 0 3 367.497 3.581 20 30 FHEDHN CC(C)CCn1ncc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1C(C)C ZINC000330181000 945390385 /nfs/dbraw/zinc/39/03/85/945390385.db2.gz NRGAPMYNOSHSNW-WMZOPIPTSA-N 0 3 361.534 3.624 20 30 FHEDHN CC(C)CCn1ncc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1C(C)C ZINC000330180999 945390642 /nfs/dbraw/zinc/39/06/42/945390642.db2.gz NRGAPMYNOSHSNW-SJLPKXTDSA-N 0 3 361.534 3.624 20 30 FHEDHN O=C(CN[C@H]1CCO[C@H]1C1CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330205617 945400995 /nfs/dbraw/zinc/40/09/95/945400995.db2.gz CPWGNRHWEWUQML-JXFKEZNVSA-N 0 3 372.465 3.863 20 30 FHEDHN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000330216450 945406564 /nfs/dbraw/zinc/40/65/64/945406564.db2.gz HUNOBKYHPNADSN-PZSREKOKSA-N 0 3 352.862 3.791 20 30 FHEDHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000330223621 945410786 /nfs/dbraw/zinc/41/07/86/945410786.db2.gz NELHWAOVYGZIOS-UXHICEINSA-N 0 3 371.525 3.646 20 30 FHEDHN CCN(CCCC1(C#N)CCOCC1)CC(=O)Nc1c(C)cccc1C ZINC000281142146 945537680 /nfs/dbraw/zinc/53/76/80/945537680.db2.gz ATFJTCASDOBUBJ-UHFFFAOYSA-N 0 3 357.498 3.664 20 30 FHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CCc1ccc(C#N)cc1 ZINC000469487373 945659706 /nfs/dbraw/zinc/65/97/06/945659706.db2.gz GPNHLWOILRBQBN-JOCHJYFZSA-N 0 3 363.505 3.764 20 30 FHEDHN N#CCCC[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000487456859 945731046 /nfs/dbraw/zinc/73/10/46/945731046.db2.gz WYNHTCPWEXBVFM-FQEVSTJZSA-N 0 3 369.509 3.573 20 30 FHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000661117384 945749937 /nfs/dbraw/zinc/74/99/37/945749937.db2.gz QMAGWPRGNRHRBH-UKRRQHHQSA-N 0 3 357.454 3.577 20 30 FHEDHN CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(C#N)c(OC)c3)ccc2NC1=O ZINC000281575752 945774460 /nfs/dbraw/zinc/77/44/60/945774460.db2.gz CVPTZLJMSWZCQS-UGSOOPFHSA-N 0 3 365.433 3.527 20 30 FHEDHN CCN1CC[C@@H](NCc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519830774 945791619 /nfs/dbraw/zinc/79/16/19/945791619.db2.gz AQQOLDDNZGATKS-MOPGFXCFSA-N 0 3 358.848 3.671 20 30 FHEDHN CC(C)N(CCN(C)C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000151846541 945897604 /nfs/dbraw/zinc/89/76/04/945897604.db2.gz DNTBZQDUOQZWTD-UHFFFAOYSA-N 0 3 365.477 3.549 20 30 FHEDHN C[C@H]1CCN(C(=O)NCC2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC000440994961 946096670 /nfs/dbraw/zinc/09/66/70/946096670.db2.gz XUQRZQRUOJQMAL-HDYDNRTBSA-N 0 3 368.525 3.622 20 30 FHEDHN C[C@@H]1[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCN1Cc1ccccc1 ZINC000520274164 946329184 /nfs/dbraw/zinc/32/91/84/946329184.db2.gz AFZFMIZFZOKLCW-UTKZUKDTSA-N 0 3 361.489 3.881 20 30 FHEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000441241449 946330983 /nfs/dbraw/zinc/33/09/83/946330983.db2.gz DFJGQSMXQSMJNY-VYDXJSESSA-N 0 3 361.511 3.567 20 30 FHEDHN C=CCCO[C@H](C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000520305020 946391651 /nfs/dbraw/zinc/39/16/51/946391651.db2.gz MMLRQGMFIQLABZ-QGZVFWFLSA-N 0 3 364.917 3.746 20 30 FHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCOc2cccc(F)c2)c1 ZINC000125514927 946407714 /nfs/dbraw/zinc/40/77/14/946407714.db2.gz BUJBDSFJHMGABT-GOSISDBHSA-N 0 3 354.381 3.641 20 30 FHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCOc2cccc(F)c2)c1 ZINC000125514711 946408314 /nfs/dbraw/zinc/40/83/14/946408314.db2.gz BUJBDSFJHMGABT-SFHVURJKSA-N 0 3 354.381 3.641 20 30 FHEDHN CC(C)[C@H](CNC(=O)c1cccc(CC#N)c1)N1CCc2ccccc2C1 ZINC000049657967 946507014 /nfs/dbraw/zinc/50/70/14/946507014.db2.gz QWERKUJIBATDMB-QFIPXVFZSA-N 0 3 361.489 3.565 20 30 FHEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000441371804 946522088 /nfs/dbraw/zinc/52/20/88/946522088.db2.gz ALDUTUBMPSCPJL-FCHUYYIVSA-N 0 3 361.489 3.751 20 30 FHEDHN COCC(C)(C)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055424 946542240 /nfs/dbraw/zinc/54/22/40/946542240.db2.gz OSLZGMVMUSMNLQ-RKDXNWHRSA-N 0 3 369.296 3.762 20 30 FHEDHN C#CCOc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000783595462 946590121 /nfs/dbraw/zinc/59/01/21/946590121.db2.gz PZSKVCZXXHAERM-INIZCTEOSA-N 0 3 363.383 3.751 20 30 FHEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccncc1 ZINC000136654703 946702236 /nfs/dbraw/zinc/70/22/36/946702236.db2.gz NZWLDPRQFZQXNL-FZMZJTMJSA-N 0 3 359.788 3.715 20 30 FHEDHN CN(Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867265 946743939 /nfs/dbraw/zinc/74/39/39/946743939.db2.gz WOKAPLNCFCNGCO-NRFANRHFSA-N 0 3 366.505 3.922 20 30 FHEDHN C[C@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000328687971 946987700 /nfs/dbraw/zinc/98/77/00/946987700.db2.gz HJXVIDCPQBBRQA-XHDPSFHLSA-N 0 3 372.494 3.716 20 30 FHEDHN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328816596 947034983 /nfs/dbraw/zinc/03/49/83/947034983.db2.gz NXBAXFGRXHABBC-ZQYQINFJSA-N 0 3 368.477 3.678 20 30 FHEDHN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H](C2CCOCC2)C1 ZINC000328838122 947059136 /nfs/dbraw/zinc/05/91/36/947059136.db2.gz NHUUIULXRXEQSQ-RDJZCZTQSA-N 0 3 353.466 3.960 20 30 FHEDHN O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CCCN1C1CCCC1 ZINC000328860653 947070167 /nfs/dbraw/zinc/07/01/67/947070167.db2.gz AKPGSDZDQYZGEV-IEBWSBKVSA-N 0 3 373.472 3.685 20 30 FHEDHN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CC[C@H](C3CCOCC3)C2)c(C)c1 ZINC000328870952 947076289 /nfs/dbraw/zinc/07/62/89/947076289.db2.gz YDWDPRIJBGTVDC-AEFFLSMTSA-N 0 3 373.497 3.942 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000662078813 947212180 /nfs/dbraw/zinc/21/21/80/947212180.db2.gz HCIOZMXWJRECTC-FFZOFVMBSA-N 0 3 369.509 3.679 20 30 FHEDHN C=CCOc1ccccc1CNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000523430912 947242015 /nfs/dbraw/zinc/24/20/15/947242015.db2.gz PFOXCQZVWCJAOI-UHFFFAOYSA-N 0 3 373.541 3.905 20 30 FHEDHN CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCCN1CCCC[C@H]1C ZINC000330955297 947316724 /nfs/dbraw/zinc/31/67/24/947316724.db2.gz BCDVMFBKERYORW-CYBMUJFWSA-N 0 3 364.559 3.983 20 30 FHEDHN Cc1cccc2c1[C@H](C)C[C@H]2N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000249030891 947317837 /nfs/dbraw/zinc/31/78/37/947317837.db2.gz LZWICFFBGYIKAT-TYCQWZJGSA-N 0 3 359.473 3.806 20 30 FHEDHN CC[C@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)cc1 ZINC000181835589 947376718 /nfs/dbraw/zinc/37/67/18/947376718.db2.gz VXBABMSBNDWWRM-ACJLOTCBSA-N 0 3 355.438 3.845 20 30 FHEDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2cccc(C#N)c2)c2ccc(F)cc2C1 ZINC000184535160 947468669 /nfs/dbraw/zinc/46/86/69/947468669.db2.gz NHPMBQWAYQKISG-LHSJRXKWSA-N 0 3 351.425 3.841 20 30 FHEDHN C=CC[C@@H]1N(C(=O)NC2CCN(CCOC(C)C)CC2)CCCC1(C)C ZINC000445118373 947526851 /nfs/dbraw/zinc/52/68/51/947526851.db2.gz QVGHYBHSJWBVLE-IBGZPJMESA-N 0 3 365.562 3.652 20 30 FHEDHN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000441486033 947967879 /nfs/dbraw/zinc/96/78/79/947967879.db2.gz MIEJUPANPYMPPJ-UHOSZYNNSA-N 0 3 366.465 3.634 20 30 FHEDHN CN1CC[C@H](NCc2ccc(C#N)cc2Br)[C@@H]1c1ccccc1 ZINC000585717087 948232380 /nfs/dbraw/zinc/23/23/80/948232380.db2.gz MZJLKFFUKREOQO-OALUTQOASA-N 0 3 370.294 3.856 20 30 FHEDHN C=CCC(C)(C)CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000432368939 948243616 /nfs/dbraw/zinc/24/36/16/948243616.db2.gz SSBYYMLKYOFFPR-UHFFFAOYSA-N 0 3 361.452 3.693 20 30 FHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(I)c1 ZINC000585742963 948254407 /nfs/dbraw/zinc/25/44/07/948254407.db2.gz JSBFGKMALGOVQU-QGZVFWFLSA-N 0 3 374.225 3.940 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000432397071 948330812 /nfs/dbraw/zinc/33/08/12/948330812.db2.gz WPPFMUYGIIWZDX-LJQANCHMSA-N 0 3 363.452 3.852 20 30 FHEDHN C=C(C)CNC(=S)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000064371368 948582376 /nfs/dbraw/zinc/58/23/76/948582376.db2.gz FBJUWNZCZBTDJC-UHFFFAOYSA-N 0 3 359.461 3.520 20 30 FHEDHN CCN1CCC[C@@H](CN(C)C(=O)NCCC2=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000328643289 521614135 /nfs/dbraw/zinc/61/41/35/521614135.db2.gz YSDLPTJOMWHCDC-AZUAARDMSA-N 0 3 373.545 3.539 20 30 FHEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(Cc2nccs2)CC1 ZINC000601743763 567833607 /nfs/dbraw/zinc/83/36/07/567833607.db2.gz SDXQMUJVIBUKCV-GOSISDBHSA-N 0 3 353.491 3.697 20 30 FHEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000481460580 567961258 /nfs/dbraw/zinc/96/12/58/567961258.db2.gz SPBDNOVKXLURQT-JLTOFOAXSA-N 0 3 371.868 3.906 20 30 FHEDHN C[C@H](CN[C@@H](C)CC1(C#N)CCOCC1)c1nc(-c2ccccc2)no1 ZINC000602581577 567993781 /nfs/dbraw/zinc/99/37/81/567993781.db2.gz USEASPKQESMWOK-CVEARBPZSA-N 0 3 354.454 3.529 20 30 FHEDHN CCOCCOc1cc(C)ccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602575963 567996684 /nfs/dbraw/zinc/99/66/84/567996684.db2.gz KJQNBDKAMPBMEN-SFHVURJKSA-N 0 3 360.498 3.599 20 30 FHEDHN C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@H](N)CCCC#N ZINC000602605427 567997017 /nfs/dbraw/zinc/99/70/17/567997017.db2.gz VHBXKUOSXPAUDT-WBVHZDCISA-N 0 3 353.388 3.564 20 30 FHEDHN C[C@@H](CCC#N)CN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000602598331 568000026 /nfs/dbraw/zinc/00/00/26/568000026.db2.gz HLMYNVXRCGETPB-FUHWJXTLSA-N 0 3 365.481 3.781 20 30 FHEDHN CN1CC[C@H](NCC2(C#N)CCC2)C[C@H]1c1ccc(Br)cc1 ZINC000602697158 568016441 /nfs/dbraw/zinc/01/64/41/568016441.db2.gz IOPSNQVQLYQDNI-IRXDYDNUSA-N 0 3 362.315 3.868 20 30 FHEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000065167237 568044375 /nfs/dbraw/zinc/04/43/75/568044375.db2.gz FYMYKJXSZCYDCR-ZDUSSCGKSA-N 0 3 362.695 3.740 20 30 FHEDHN CCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCc1nccs1 ZINC000159257991 568069569 /nfs/dbraw/zinc/06/95/69/568069569.db2.gz TWKLJPFGWRRVDG-UHFFFAOYSA-N 0 3 362.886 3.561 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccccc1N1CCOCC1 ZINC000481667604 568081047 /nfs/dbraw/zinc/08/10/47/568081047.db2.gz KBHLSUQLLMVNQS-JOCHJYFZSA-N 0 3 361.489 3.952 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCN(c2ccccc2F)C1=O ZINC000481677962 568085130 /nfs/dbraw/zinc/08/51/30/568085130.db2.gz MRJVJMINTNNPLV-UXHICEINSA-N 0 3 363.436 3.860 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)N2CCCC2)cc1 ZINC000481746954 568107708 /nfs/dbraw/zinc/10/77/08/568107708.db2.gz VYTZJSHEYYSNHK-FQEVSTJZSA-N 0 3 366.440 3.964 20 30 FHEDHN C[C@H]1C[C@@H](CO)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000568684010 568122448 /nfs/dbraw/zinc/12/24/48/568122448.db2.gz GUFMFHPPBUJVBC-PXNSSMCTSA-N 0 3 350.462 3.730 20 30 FHEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000604005586 568195864 /nfs/dbraw/zinc/19/58/64/568195864.db2.gz HMCSQMPPADSUKE-AWEZNQCLSA-N 0 3 353.378 3.884 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CN2CCc3ccccc32)CC1 ZINC000303431516 568272718 /nfs/dbraw/zinc/27/27/18/568272718.db2.gz CFBGTVQIZRFGIP-LJQANCHMSA-N 0 3 369.553 3.574 20 30 FHEDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2sc(C)c(C)c2C#N)C1(CC)CC ZINC000482136368 568287398 /nfs/dbraw/zinc/28/73/98/568287398.db2.gz PICHOCDUNAEJLH-HZPDHXFCSA-N 0 3 363.527 3.749 20 30 FHEDHN N#Cc1cc(F)c(N2CC[C@@H](N3CCCCC3)C2)cc1Br ZINC000313990440 568330729 /nfs/dbraw/zinc/33/07/29/568330729.db2.gz NTBUSYHXJTULEP-CYBMUJFWSA-N 0 3 352.251 3.524 20 30 FHEDHN C=CCOc1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000604766020 568361963 /nfs/dbraw/zinc/36/19/63/568361963.db2.gz MWNFCDCAQRKWPE-RTBURBONSA-N 0 3 365.395 3.876 20 30 FHEDHN COc1ccc([C@H](NCc2ccc(C#N)c(F)c2)C2CCOCC2)cc1 ZINC000365269967 568388362 /nfs/dbraw/zinc/38/83/62/568388362.db2.gz RVQVSNXFNPCDFZ-NRFANRHFSA-N 0 3 354.425 3.963 20 30 FHEDHN C=CCC[C@@H](CCC)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823894092 608287438 /nfs/dbraw/zinc/28/74/38/608287438.db2.gz HGBIYVCMBSKGFO-WWDZGPRUSA-N 0 3 370.501 3.676 20 30 FHEDHN C=CCC[C@@H](CCC)[NH2+]C1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823894092 608287440 /nfs/dbraw/zinc/28/74/40/608287440.db2.gz HGBIYVCMBSKGFO-WWDZGPRUSA-N 0 3 370.501 3.676 20 30 FHEDHN CC(C)C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824262302 609514631 /nfs/dbraw/zinc/51/46/31/609514631.db2.gz ZISIWHNEIZZFHA-UHFFFAOYSA-N 0 3 360.465 3.591 20 30 FHEDHN CC(C)C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824262302 609514633 /nfs/dbraw/zinc/51/46/33/609514633.db2.gz ZISIWHNEIZZFHA-UHFFFAOYSA-N 0 3 360.465 3.591 20 30 FHEDHN CC(C)C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824262302 609514635 /nfs/dbraw/zinc/51/46/35/609514635.db2.gz ZISIWHNEIZZFHA-UHFFFAOYSA-N 0 3 360.465 3.591 20 30 FHEDHN CC(C)C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824262302 609514636 /nfs/dbraw/zinc/51/46/36/609514636.db2.gz ZISIWHNEIZZFHA-UHFFFAOYSA-N 0 3 360.465 3.591 20 30 FHEDHN Cc1nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ccc1CC#N ZINC001164995907 722209292 /nfs/dbraw/zinc/20/92/92/722209292.db2.gz PSJFJMMJKCYBTE-JOCHJYFZSA-N 0 3 364.468 3.840 20 30 FHEDHN C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1 ZINC000047956436 927097865 /nfs/dbraw/zinc/09/78/65/927097865.db2.gz WOWDTXJQRQMLAF-YJBOKZPZSA-N 0 3 368.506 3.817 20 30 FHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)c2ccccc2)cc1 ZINC000160194461 927221991 /nfs/dbraw/zinc/22/19/91/927221991.db2.gz RKJNQULSNWCLQB-BEFAXECRSA-N 0 3 350.418 3.926 20 30 FHEDHN CC[C@H](C)N[C@H](CNc1ccc(C(F)(F)F)c(C#N)n1)c1ccco1 ZINC000557694338 927319816 /nfs/dbraw/zinc/31/98/16/927319816.db2.gz PMXXHNPWOMMUKW-SMDDNHRTSA-N 0 3 352.360 3.528 20 30 FHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(CN3CCCC3=O)c2)cc1 ZINC000153919923 927518712 /nfs/dbraw/zinc/51/87/12/927518712.db2.gz AZJVQYACANCHKN-GOSISDBHSA-N 0 3 362.473 3.672 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3cccc(Cl)c3)CC2)CC1 ZINC000154187424 937172743 /nfs/dbraw/zinc/17/27/43/937172743.db2.gz MQXVWOILMBTUIT-UHFFFAOYSA-N 0 3 361.917 3.711 20 30 FHEDHN COc1ccc2cc(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc2c1 ZINC000430189981 927726173 /nfs/dbraw/zinc/72/61/73/927726173.db2.gz VUSPBIFZTBNDHY-NRFANRHFSA-N 0 3 359.429 3.768 20 30 FHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)n(Cc3ccccn3)c2C)n1 ZINC000047358630 929046686 /nfs/dbraw/zinc/04/66/86/929046686.db2.gz CKRBXYSEVVBXGO-KRWDZBQOSA-N 0 3 350.447 3.803 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134799829 929280592 /nfs/dbraw/zinc/28/05/92/929280592.db2.gz LZTQOONXUORHLM-DBVUQKKJSA-N 0 3 362.489 3.527 20 30 FHEDHN C=CCC[C@@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000180035507 929326633 /nfs/dbraw/zinc/32/66/33/929326633.db2.gz SVSBSOLXBONROZ-UXHICEINSA-N 0 3 350.462 3.924 20 30 FHEDHN CSc1ccc([C@H](CNC(=O)c2ccc(C#N)c(Cl)c2)N(C)C)cc1 ZINC000579883015 929497866 /nfs/dbraw/zinc/49/78/66/929497866.db2.gz LOTDRRPIKUIPLA-SFHVURJKSA-N 0 3 373.909 3.966 20 30 FHEDHN C=CCOC(=O)N1CCC[C@]2(CCN(CCc3ccc(F)c(F)c3)C2)C1 ZINC001209240365 929611119 /nfs/dbraw/zinc/61/11/19/929611119.db2.gz WDQDNKSKUZFBEW-HXUWFJFHSA-N 0 3 364.436 3.618 20 30 FHEDHN C[C@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)c1cccc(C#N)c1 ZINC000610351637 930088948 /nfs/dbraw/zinc/08/89/48/930088948.db2.gz BRHLTNIGYARQLT-LAUBAEHRSA-N 0 3 362.477 3.583 20 30 FHEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2cc(C#N)cs2)CC1 ZINC000177696800 930167810 /nfs/dbraw/zinc/16/78/10/930167810.db2.gz MQEVKRIIPCPDIL-OAHLLOKOSA-N 0 3 372.513 3.752 20 30 FHEDHN N#CC(C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc2ccccc2[nH]1 ZINC000050205024 930608951 /nfs/dbraw/zinc/60/89/51/930608951.db2.gz PKOYTGROAIPEKZ-CYBMUJFWSA-N 0 3 361.792 3.892 20 30 FHEDHN COc1cccc([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccccc2OC)c1 ZINC000175944823 930667773 /nfs/dbraw/zinc/66/77/73/930667773.db2.gz QEGDVMOJRWSXKK-PBHICJAKSA-N 0 3 366.417 3.545 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)c1ccsc1 ZINC000042346501 931535627 /nfs/dbraw/zinc/53/56/27/931535627.db2.gz RCYHSRMSFHBTKW-LJQANCHMSA-N 0 3 370.522 3.844 20 30 FHEDHN C=CCn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000581218869 931694490 /nfs/dbraw/zinc/69/44/90/931694490.db2.gz BIBCPYQMOPRAKM-WOJBJXKFSA-N 0 3 365.525 3.679 20 30 FHEDHN CC1(C)CCN(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000328794552 932115126 /nfs/dbraw/zinc/11/51/26/932115126.db2.gz SPPRUFNDNHODAX-UHFFFAOYSA-N 0 3 363.546 3.636 20 30 FHEDHN COc1cc(C#N)ccc1OCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000157354301 932383770 /nfs/dbraw/zinc/38/37/70/932383770.db2.gz SXHJJJSICSKJNV-KRWDZBQOSA-N 0 3 372.490 3.688 20 30 FHEDHN C=CCCCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000471700762 932644407 /nfs/dbraw/zinc/64/44/07/932644407.db2.gz LQNZFPHLZPPWHB-GOSISDBHSA-N 0 3 354.416 3.914 20 30 FHEDHN N#CC(C(=O)c1cccc2c1CC(=O)CC2)c1cc(C(F)(F)F)ccn1 ZINC000581977729 933211686 /nfs/dbraw/zinc/21/16/86/933211686.db2.gz UGIVSGGXMJDHEU-MRXNPFEDSA-N 0 3 358.319 3.648 20 30 FHEDHN C=C(C)CCN(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000510767914 933688883 /nfs/dbraw/zinc/68/88/83/933688883.db2.gz XJYULLVXDMBOAE-UHFFFAOYSA-N 0 3 356.304 3.997 20 30 FHEDHN C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)CN1Cc1ccccc1 ZINC000610714389 933891547 /nfs/dbraw/zinc/89/15/47/933891547.db2.gz MQKONVMEDUZDEO-FXAWDEMLSA-N 0 3 372.472 3.558 20 30 FHEDHN COc1ccc([C@H](C/N=C/c2cccc(OC)c2O)N2CCCC2)cc1 ZINC000022768436 934363251 /nfs/dbraw/zinc/36/32/51/934363251.db2.gz BKUNBEOFGRTATG-KWJZBXMYSA-N 0 3 354.450 3.665 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000458316860 934675121 /nfs/dbraw/zinc/67/51/21/934675121.db2.gz IFBYFZMWDPTERR-UHFFFAOYSA-N 0 3 361.917 3.755 20 30 FHEDHN COc1cccc2c1ccnc2N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000450230370 934875061 /nfs/dbraw/zinc/87/50/61/934875061.db2.gz FOQSIBBSUPQVPK-UHFFFAOYSA-N 0 3 372.472 3.827 20 30 FHEDHN Cc1ccc(/C=C/CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000084754555 935128790 /nfs/dbraw/zinc/12/87/90/935128790.db2.gz RKUPNWYDCNJAMJ-AATRIKPKSA-N 0 3 361.489 3.860 20 30 FHEDHN C=CCN(CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(OC)cc1 ZINC000438833216 945084526 /nfs/dbraw/zinc/08/45/26/945084526.db2.gz GYRYPGZSKTYQES-UHFFFAOYSA-N 0 3 360.404 3.990 20 30 FHEDHN C=CCCn1cc(CN[C@H](C)CCc2ccc(Br)cc2)nn1 ZINC000657326392 935224058 /nfs/dbraw/zinc/22/40/58/935224058.db2.gz MNIQRBWDDDOONH-CQSZACIVSA-N 0 3 363.303 3.728 20 30 FHEDHN CC(C)OCC[C@@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472158217 935234720 /nfs/dbraw/zinc/23/47/20/935234720.db2.gz PZOCYOYKNQCFAC-JOCHJYFZSA-N 0 3 370.468 3.876 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000178567789 935627633 /nfs/dbraw/zinc/62/76/33/935627633.db2.gz FMXSFKFANOQCQN-KRWDZBQOSA-N 0 3 362.477 3.995 20 30 FHEDHN CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCC(C)(C)CC1 ZINC000127611891 935654407 /nfs/dbraw/zinc/65/44/07/935654407.db2.gz VYOSGCVGAIKGKX-UHFFFAOYSA-N 0 3 365.481 3.583 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)Cc2cc(C#N)cs2)C1 ZINC000892260719 935685449 /nfs/dbraw/zinc/68/54/49/935685449.db2.gz QMBSEYKONWQTNZ-QAPCUYQASA-N 0 3 368.506 3.597 20 30 FHEDHN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(CC(C)C)CC1 ZINC000582553879 935826119 /nfs/dbraw/zinc/82/61/19/935826119.db2.gz XUDULRMJEXIYJN-UHFFFAOYSA-N 0 3 357.502 3.509 20 30 FHEDHN Cc1oc(-c2ccccc2)nc1CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000128050301 935915034 /nfs/dbraw/zinc/91/50/34/935915034.db2.gz AFNDNHOURBWYKT-QGZVFWFLSA-N 0 3 359.385 3.540 20 30 FHEDHN CN(C)[C@H]1CCOc2c(Nc3ccc(C(F)(F)F)c(C#N)n3)cccc21 ZINC000548759399 936008689 /nfs/dbraw/zinc/00/86/89/936008689.db2.gz UIKFPIVLEFDFAN-HNNXBMFYSA-N 0 3 362.355 3.523 20 30 FHEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)C1 ZINC000329189680 938284470 /nfs/dbraw/zinc/28/44/70/938284470.db2.gz RPCYNCRVOSDJRK-PMACEKPBSA-N 0 3 371.525 3.739 20 30 FHEDHN C[C@H]1CCC[C@H](C)N1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329220761 938292830 /nfs/dbraw/zinc/29/28/30/938292830.db2.gz UCFGDVLJXMJNGQ-KBPBESRZSA-N 0 3 361.442 3.613 20 30 FHEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C12CCCC2 ZINC000329569881 938489107 /nfs/dbraw/zinc/48/91/07/938489107.db2.gz IMEMEOAEFWNXRI-ZOCIIQOWSA-N 0 3 374.481 3.762 20 30 FHEDHN CSc1ccc(O[C@@H](C)C(=O)C(C#N)C(=O)Nc2cccc(C)c2)cc1 ZINC000158709828 938569833 /nfs/dbraw/zinc/56/98/33/938569833.db2.gz TYMJKNPHDGAVQH-KBXCAEBGSA-N 0 3 368.458 3.832 20 30 FHEDHN CN(C)CCN(Cc1ccco1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458795334 938595997 /nfs/dbraw/zinc/59/59/97/938595997.db2.gz CIUULFDCKFXDSD-HXUWFJFHSA-N 0 3 368.481 3.788 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000077498330 938610906 /nfs/dbraw/zinc/61/09/06/938610906.db2.gz RIORQIAZXPDSMD-KSSFIOAISA-N 0 3 352.413 3.654 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000159341874 938660047 /nfs/dbraw/zinc/66/00/47/938660047.db2.gz GUTVPNVZJKDQAB-GOSISDBHSA-N 0 3 357.498 3.629 20 30 FHEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2c(s1)CCC2 ZINC000507409919 945214154 /nfs/dbraw/zinc/21/41/54/945214154.db2.gz XOFABHDJNPYEKM-RDTXWAMCSA-N 0 3 365.502 3.955 20 30 FHEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(-c2ccc(F)cc2)cc1 ZINC000093918841 938932079 /nfs/dbraw/zinc/93/20/79/938932079.db2.gz CHUYWGJXZCIKHZ-CVEARBPZSA-N 0 3 353.441 3.904 20 30 FHEDHN Cc1ccc(-c2nc(C)c(C(=O)C(C#N)C(=O)Nc3ccccc3)s2)o1 ZINC000128260666 938969352 /nfs/dbraw/zinc/96/93/52/938969352.db2.gz HYUGLMNXFSTAHP-AWEZNQCLSA-N 0 3 365.414 3.981 20 30 FHEDHN C[C@@H]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@H]1c1cccc(F)c1 ZINC000472327415 938970947 /nfs/dbraw/zinc/97/09/47/938970947.db2.gz LRUITVSBZWJVIB-QFIXIFRTSA-N 0 3 354.425 3.520 20 30 FHEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000171721537 938990046 /nfs/dbraw/zinc/99/00/46/938990046.db2.gz BWWYZHCYOKGLTG-DLBZAZTESA-N 0 3 352.400 3.576 20 30 FHEDHN N#CCc1ccc(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000544070050 938991983 /nfs/dbraw/zinc/99/19/83/938991983.db2.gz DEXFIDHCUKKJMQ-NRFANRHFSA-N 0 3 362.477 3.929 20 30 FHEDHN N#CCC[C@@H](C#N)CNC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000612049638 939027412 /nfs/dbraw/zinc/02/74/12/939027412.db2.gz ZIXYYQWTLMJYOB-AWEZNQCLSA-N 0 3 365.308 3.991 20 30 FHEDHN CC1CCN([C@@H](CNC(=O)N2CCC[C@](C)(C#N)C2)c2cccs2)CC1 ZINC000612091882 939049693 /nfs/dbraw/zinc/04/96/93/939049693.db2.gz YAMKPTWQTZHEAH-FXAWDEMLSA-N 0 3 374.554 3.856 20 30 FHEDHN CN1CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000179473718 939171065 /nfs/dbraw/zinc/17/10/65/939171065.db2.gz MHBPOHATSNUEMQ-ROUUACIJSA-N 0 3 354.841 3.779 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc2ccccc2c1 ZINC000065930097 940079349 /nfs/dbraw/zinc/07/93/49/940079349.db2.gz LWVWHSJNOLQNFE-UHFFFAOYSA-N 0 3 371.484 3.844 20 30 FHEDHN Cc1ccc(OCCN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000179891487 940084427 /nfs/dbraw/zinc/08/44/27/940084427.db2.gz SYNIWYPDNLSBFW-UHFFFAOYSA-N 0 3 360.461 3.778 20 30 FHEDHN Cc1nnc(-c2cccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)c2)o1 ZINC000179924688 940132662 /nfs/dbraw/zinc/13/26/62/940132662.db2.gz YOTWEZXCHAMGNX-UHFFFAOYSA-N 0 3 373.460 3.993 20 30 FHEDHN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@H](N)CCCC#N)C1 ZINC000519610136 945317832 /nfs/dbraw/zinc/31/78/32/945317832.db2.gz SHOMNZHWQMQLNM-WQVCFCJDSA-N 0 3 353.388 3.636 20 30 FHEDHN COc1cc(C#N)ccc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000548973982 940395307 /nfs/dbraw/zinc/39/53/07/940395307.db2.gz GBFNOHOGNQMOLH-QGZVFWFLSA-N 0 3 372.856 3.645 20 30 FHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000177929872 940485890 /nfs/dbraw/zinc/48/58/90/940485890.db2.gz RHFRKPGENMBYBA-IBGZPJMESA-N 0 3 372.468 3.759 20 30 FHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(C)C)cc2C(C)C)CC1 ZINC000173276471 940607133 /nfs/dbraw/zinc/60/71/33/940607133.db2.gz UMMYSYVABSDGRC-UHFFFAOYSA-N 0 3 371.525 3.639 20 30 FHEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c(C#N)c1C ZINC000582663849 940794427 /nfs/dbraw/zinc/79/44/27/940794427.db2.gz IZRAFQVLOFLOQB-LEWSCRJBSA-N 0 3 357.376 3.806 20 30 FHEDHN N#Cc1ccccc1CSCCNCc1cn2cc(Cl)ccc2n1 ZINC000180358046 940983379 /nfs/dbraw/zinc/98/33/79/940983379.db2.gz QYQYLGNZKLQFQQ-UHFFFAOYSA-N 0 3 356.882 3.882 20 30 FHEDHN C=CCN(Cc1ccccc1F)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659029016 941031033 /nfs/dbraw/zinc/03/10/33/941031033.db2.gz FLXZBYUOFWDGJD-FQEVSTJZSA-N 0 3 369.440 3.707 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccnc(OC3CCC3)c2)cc1 ZINC000180775095 941075064 /nfs/dbraw/zinc/07/50/64/941075064.db2.gz YCXXNJWGLOVIBG-GOSISDBHSA-N 0 3 363.417 3.536 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOc1ccc(F)cc1 ZINC000122143781 941085617 /nfs/dbraw/zinc/08/56/17/941085617.db2.gz SJANVOORCKTJNA-INIZCTEOSA-N 0 3 351.381 3.748 20 30 FHEDHN COc1cc(C#N)ccc1OCCN1CCC(OCC2CCCC2)CC1 ZINC000177499064 941129752 /nfs/dbraw/zinc/12/97/52/941129752.db2.gz IHBDRUVMPJIGGO-UHFFFAOYSA-N 0 3 358.482 3.617 20 30 FHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188992804 941140915 /nfs/dbraw/zinc/14/09/15/941140915.db2.gz OZTGILFODQIVRS-IBGZPJMESA-N 0 3 373.500 3.713 20 30 FHEDHN C=CCN(CC)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000376588898 941259620 /nfs/dbraw/zinc/25/96/20/941259620.db2.gz OTKYJCNPZQLPNX-LJQANCHMSA-N 0 3 367.497 3.678 20 30 FHEDHN C=CCC1(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)CCC1 ZINC000188073273 941341030 /nfs/dbraw/zinc/34/10/30/941341030.db2.gz AFJCFEJPOHPGMH-IBGZPJMESA-N 0 3 369.509 3.538 20 30 FHEDHN C#CCC1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCCC1 ZINC000376971677 941481354 /nfs/dbraw/zinc/48/13/54/941481354.db2.gz MJGVMZKKNBWXGT-UHFFFAOYSA-N 0 3 370.459 3.882 20 30 FHEDHN CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472731888 941644836 /nfs/dbraw/zinc/64/48/36/941644836.db2.gz UTEPJDSKFRYMGA-IBGZPJMESA-N 0 3 366.440 3.826 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2ccc(NCCc3ccccc3)cc2)CC1 ZINC000729271951 941704159 /nfs/dbraw/zinc/70/41/59/941704159.db2.gz WKMFTRXMPIBXFY-UHFFFAOYSA-N 0 3 361.489 3.625 20 30 FHEDHN Cn1cc(CN2CCC=C(c3ccncc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000513197099 941771192 /nfs/dbraw/zinc/77/11/92/941771192.db2.gz TZPBKEFCFYDCIT-UHFFFAOYSA-N 0 3 355.445 3.643 20 30 FHEDHN C=CCCc1ccccc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000614478595 941773795 /nfs/dbraw/zinc/77/37/95/941773795.db2.gz BMKICDNKLCJKDS-GJZGRUSLSA-N 0 3 357.372 3.728 20 30 FHEDHN C[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@H](C)CN1 ZINC000415803535 942060093 /nfs/dbraw/zinc/06/00/93/942060093.db2.gz JSTYSYGNIRTCBK-HUUCEWRRSA-N 0 3 366.490 3.924 20 30 FHEDHN Cc1nccn1-c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000183137835 942167940 /nfs/dbraw/zinc/16/79/40/942167940.db2.gz WHPCVVJHRRHDSD-CVEARBPZSA-N 0 3 373.460 3.730 20 30 FHEDHN COc1ccc(CN(CCc2ccccn2)Cc2cc(C#N)n(C)c2)cc1 ZINC000280378503 942171703 /nfs/dbraw/zinc/17/17/03/942171703.db2.gz VVUMMUTWGRHKAO-UHFFFAOYSA-N 0 3 360.461 3.545 20 30 FHEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccc(-c3ccccc3)o2)cc1 ZINC000549407386 942480932 /nfs/dbraw/zinc/48/09/32/942480932.db2.gz FIHYVWRQYVPLBK-IBGZPJMESA-N 0 3 362.429 3.542 20 30 FHEDHN C[C@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(OCC#N)cc1 ZINC000182001669 942654214 /nfs/dbraw/zinc/65/42/14/942654214.db2.gz GIOCUYGERQACNS-ZDUSSCGKSA-N 0 3 365.355 3.776 20 30 FHEDHN C=CCOc1cccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000414543298 942725598 /nfs/dbraw/zinc/72/55/98/942725598.db2.gz SQNYIMXSNNMMFZ-JOCHJYFZSA-N 0 3 367.489 3.871 20 30 FHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000502894925 942823461 /nfs/dbraw/zinc/82/34/61/942823461.db2.gz FFRQZMMWYZTJKK-HXUWFJFHSA-N 0 3 373.545 3.569 20 30 FHEDHN C=C(C)COc1cc(CN2CCC[C@H](N3CCCC3=O)CC2)ccc1OC ZINC000414556006 942858091 /nfs/dbraw/zinc/85/80/91/942858091.db2.gz VBDUVQFRXMZYFS-IBGZPJMESA-N 0 3 372.509 3.627 20 30 FHEDHN C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000421927606 942882651 /nfs/dbraw/zinc/88/26/51/942882651.db2.gz RZNUJUFDCOUMOP-BHIYHBOVSA-N 0 3 370.493 3.728 20 30 FHEDHN CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000271978921 943077961 /nfs/dbraw/zinc/07/79/61/943077961.db2.gz FJWVFLQKASMALY-OAQYLSRUSA-N 0 3 359.473 3.588 20 30 FHEDHN COc1ccc([C@H](CCC#N)N[C@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000363937926 943100948 /nfs/dbraw/zinc/10/09/48/943100948.db2.gz IZUNBYWMVTVFGQ-LPHOPBHVSA-N 0 3 370.884 3.957 20 30 FHEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000505589722 943103574 /nfs/dbraw/zinc/10/35/74/943103574.db2.gz APBBGEBTOPEUBR-KKSFZXQISA-N 0 3 368.477 3.681 20 30 FHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272419505 943153086 /nfs/dbraw/zinc/15/30/86/943153086.db2.gz LTVPFBZHQNRKBG-INMHGKMJSA-N 0 3 358.511 3.639 20 30 FHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272419502 943153138 /nfs/dbraw/zinc/15/31/38/943153138.db2.gz LTVPFBZHQNRKBG-HLLBOEOZSA-N 0 3 358.511 3.639 20 30 FHEDHN C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H](c1ccccc1)N(C)C ZINC000505606772 943176413 /nfs/dbraw/zinc/17/64/13/943176413.db2.gz GQHUAWYWADEVMR-MGPUTAFESA-N 0 3 365.452 3.537 20 30 FHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272639793 943191492 /nfs/dbraw/zinc/19/14/92/943191492.db2.gz CCAVTOLTKKLHMS-HUUCEWRRSA-N 0 3 358.511 3.853 20 30 FHEDHN CN1C(=O)C[C@H](NCCC2(C#N)CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514844992 943326695 /nfs/dbraw/zinc/32/66/95/943326695.db2.gz QLDUWGHWATZSCR-HKUYNNGSSA-N 0 3 361.436 3.690 20 30 FHEDHN Cc1cnc(CCN2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC000514860366 943343383 /nfs/dbraw/zinc/34/33/83/943343383.db2.gz ZGMUXQGKUXPUTG-UHFFFAOYSA-N 0 3 353.441 3.795 20 30 FHEDHN C=CCOc1ccc(CN2CCC(NC(=O)c3ccoc3C)CC2)cc1 ZINC000093009797 943356209 /nfs/dbraw/zinc/35/62/09/943356209.db2.gz BYALOMZTZCRQGI-UHFFFAOYSA-N 0 3 354.450 3.547 20 30 FHEDHN C[C@@H](CN(C)[C@@H](C)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000425368969 943384448 /nfs/dbraw/zinc/38/44/48/943384448.db2.gz YSQYABIYVNIHHJ-HOTGVXAUSA-N 0 3 356.491 3.758 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000503912144 943417316 /nfs/dbraw/zinc/41/73/16/943417316.db2.gz RQNAQEOELPJZRX-XPTLAUCJSA-N 0 3 353.510 3.914 20 30 FHEDHN CN(C)[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000504065617 943485688 /nfs/dbraw/zinc/48/56/88/943485688.db2.gz ANXSTKMHEKRVNE-JOCHJYFZSA-N 0 3 374.488 3.660 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000435728656 943572384 /nfs/dbraw/zinc/57/23/84/943572384.db2.gz OTHPJRVLCJBSOG-KDOFPFPSSA-N 0 3 358.463 3.610 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)ccc1Cl ZINC000515238546 943589951 /nfs/dbraw/zinc/58/99/51/943589951.db2.gz WYJWPUNEQXPWSA-UHFFFAOYSA-N 0 3 359.832 3.555 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000504508858 943648484 /nfs/dbraw/zinc/64/84/84/943648484.db2.gz GKOVYWHPHMXSRO-SFHVURJKSA-N 0 3 358.526 3.763 20 30 FHEDHN C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424087262 943723046 /nfs/dbraw/zinc/72/30/46/943723046.db2.gz DIOUMXNFYYQHRN-MLGOLLRUSA-N 0 3 353.388 3.779 20 30 FHEDHN CC(C)(C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424116645 943740435 /nfs/dbraw/zinc/74/04/35/943740435.db2.gz XRUQETVZHMCIBV-CABCVRRESA-N 0 3 355.404 3.930 20 30 FHEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000424120894 943742132 /nfs/dbraw/zinc/74/21/32/943742132.db2.gz HVYPWDANIYAMKO-SFHVURJKSA-N 0 3 359.832 3.783 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)OC1CCCCCC1 ZINC000162449115 943769795 /nfs/dbraw/zinc/76/97/95/943769795.db2.gz KWDNBKVCTWMPDH-RDJZCZTQSA-N 0 3 372.465 3.861 20 30 FHEDHN C=CCn1cc(CN[C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000424289880 943821424 /nfs/dbraw/zinc/82/14/24/943821424.db2.gz AMSUIVPCBDMREV-GOEBONIOSA-N 0 3 350.388 3.909 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000437478825 943847133 /nfs/dbraw/zinc/84/71/33/943847133.db2.gz CMVKRAPPSMOZKY-GJZGRUSLSA-N 0 3 361.452 3.695 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(Br)s2)CC1 ZINC000435974219 943896630 /nfs/dbraw/zinc/89/66/30/943896630.db2.gz HMHVIHBXGFJZIE-NSHDSACASA-N 0 3 372.332 3.521 20 30 FHEDHN C=CCN1CC[C@H](N(C)CC/C=C/c2ccc(Br)cc2)C1=O ZINC000500008132 943944461 /nfs/dbraw/zinc/94/44/61/943944461.db2.gz INNOOPQANLKXFM-YXMMZVCTSA-N 0 3 363.299 3.571 20 30 FHEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000517074800 943982457 /nfs/dbraw/zinc/98/24/57/943982457.db2.gz LREFNSGAWWZBJS-MRXNPFEDSA-N 0 3 367.880 3.806 20 30 FHEDHN CCOC(=O)COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418136987 944191381 /nfs/dbraw/zinc/19/13/81/944191381.db2.gz BJBYWRQWRVPVDP-NRFANRHFSA-N 0 3 364.445 3.667 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000436312992 944191956 /nfs/dbraw/zinc/19/19/56/944191956.db2.gz LCHQDXCLRJWLFP-MUKKUYKPSA-N 0 3 360.889 3.861 20 30 FHEDHN CSc1ccc(OC[C@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425528935 944238189 /nfs/dbraw/zinc/23/81/89/944238189.db2.gz AAPMZVNBMBDCDL-CRAIPNDOSA-N 0 3 356.491 3.713 20 30 FHEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC001125935902 944424258 /nfs/dbraw/zinc/42/42/58/944424258.db2.gz ARLCNAWELRVLHW-UHFFFAOYSA-N 0 3 367.331 3.942 20 30 FHEDHN CN(CC(=O)Nc1ccccc1SCC#N)C1CCC(F)(F)CC1 ZINC000287029380 944443049 /nfs/dbraw/zinc/44/30/49/944443049.db2.gz SAPGKOYFZITKEX-UHFFFAOYSA-N 0 3 353.438 3.750 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000518509754 944455206 /nfs/dbraw/zinc/45/52/06/944455206.db2.gz OAUYDVLXVGAPIW-KRWDZBQOSA-N 0 3 359.514 3.875 20 30 FHEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1sccc1CC#N ZINC001125937785 944495759 /nfs/dbraw/zinc/49/57/59/944495759.db2.gz FFAMHRDQPLBGFM-UHFFFAOYSA-N 0 3 361.898 3.672 20 30 FHEDHN CC1(C)CN(c2ccc(C#N)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000383121742 944522871 /nfs/dbraw/zinc/52/28/71/944522871.db2.gz BZLYKXLNHPGDHX-UHFFFAOYSA-N 0 3 350.422 3.567 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(C)(F)F)cc1 ZINC000550264159 944598714 /nfs/dbraw/zinc/59/87/14/944598714.db2.gz VPSKMVAPUZBQRJ-UHFFFAOYSA-N 0 3 371.431 3.874 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cc3cccc(F)c3o2)CC1 ZINC000473828665 944606398 /nfs/dbraw/zinc/60/63/98/944606398.db2.gz YGAHKSZVKDIOBH-AWEZNQCLSA-N 0 3 359.445 3.973 20 30 FHEDHN N#CCCCOc1cccc(CN2CCN(CCc3ccccc3)CC2)c1 ZINC000506268774 944727931 /nfs/dbraw/zinc/72/79/31/944727931.db2.gz OASIPXUOCQQEOS-UHFFFAOYSA-N 0 3 363.505 3.729 20 30 FHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000425643630 944756532 /nfs/dbraw/zinc/75/65/32/944756532.db2.gz IXUVLXSIERGAIB-JXFKEZNVSA-N 0 3 350.466 3.564 20 30 FHEDHN N#CC(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000518805807 944786272 /nfs/dbraw/zinc/78/62/72/944786272.db2.gz XCQCZDMQWIEASZ-LBPRGKRZSA-N 0 3 374.278 3.969 20 30 FHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000162786360 944876718 /nfs/dbraw/zinc/87/67/18/944876718.db2.gz DSNNHDYDBPBGNJ-GOSISDBHSA-N 0 3 360.461 3.747 20 30 FHEDHN C=CCN1CCC(NC(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000517982395 944905811 /nfs/dbraw/zinc/90/58/11/944905811.db2.gz NVJYOKUAEBVDRY-UHFFFAOYSA-N 0 3 358.429 3.564 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC3CCCC3)nc2)CC1 ZINC000518005831 944909149 /nfs/dbraw/zinc/90/91/49/944909149.db2.gz ZBIHZZNZARIHBL-UHFFFAOYSA-N 0 3 358.486 3.565 20 30 FHEDHN N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCN(C4CC4)C3)cc2)cc1 ZINC000518914936 944934675 /nfs/dbraw/zinc/93/46/75/944934675.db2.gz QVSITLFODKSEHR-GOSISDBHSA-N 0 3 361.445 3.511 20 30 FHEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000518107323 945030271 /nfs/dbraw/zinc/03/02/71/945030271.db2.gz VVXLJJBFFPATEA-MRXNPFEDSA-N 0 3 367.880 3.806 20 30 FHEDHN C=C(Cc1ccccc1)C(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001270172337 945039190 /nfs/dbraw/zinc/03/91/90/945039190.db2.gz SRBMJRGEXBHCMA-ZWKOTPCHSA-N 0 3 366.427 3.661 20 30 FHEDHN CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000330162618 945382143 /nfs/dbraw/zinc/38/21/43/945382143.db2.gz SJGJUZWSKWEZRX-FUHWJXTLSA-N 0 3 362.470 3.619 20 30 FHEDHN N#CC(C(=O)c1cnc2n1CCCC2)c1nc2cc(Cl)ccc2s1 ZINC000651607687 945408387 /nfs/dbraw/zinc/40/83/87/945408387.db2.gz MJYGCYSGJOHYNU-LLVKDONJSA-N 0 3 356.838 3.973 20 30 FHEDHN O=C(CN[C@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1cccc(Br)c1 ZINC000330250187 945425107 /nfs/dbraw/zinc/42/51/07/945425107.db2.gz GSICNURFZYFZPN-VNQPRFMTSA-N 0 3 365.271 3.584 20 30 FHEDHN Cn1cnc(-c2cccc(NC(=O)[C@H]3CCCCN3C3CCCC3)c2)n1 ZINC000330252727 945426566 /nfs/dbraw/zinc/42/65/66/945426566.db2.gz AFJFZWZTAMRSKY-GOSISDBHSA-N 0 3 353.470 3.867 20 30 FHEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccccc1Br ZINC000330258637 945429229 /nfs/dbraw/zinc/42/92/29/945429229.db2.gz MQJPCSISNARLHJ-NZVBXONLSA-N 0 3 353.260 3.583 20 30 FHEDHN C=CCc1cc(CN2CCC(n3cc(Cl)cn3)CC2)cc(OC)c1O ZINC000507711363 945483586 /nfs/dbraw/zinc/48/35/86/945483586.db2.gz YCYGPHUBBQXPIN-UHFFFAOYSA-N 0 3 361.873 3.816 20 30 FHEDHN CCC[C@H](NCc1ccc(C#N)c(C)c1)C(=O)N1CCc2sccc2C1 ZINC000443981219 945675547 /nfs/dbraw/zinc/67/55/47/945675547.db2.gz SMJYZMNFMMXZFE-IBGZPJMESA-N 0 3 367.518 3.771 20 30 FHEDHN C=CC[C@H]1CCCC[C@H]1NCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000661116755 945748585 /nfs/dbraw/zinc/74/85/85/945748585.db2.gz ZWEKGQXLTWEMJR-HNAYVOBHSA-N 0 3 374.506 3.970 20 30 FHEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(c3ccco3)CC2)c(OC)c1 ZINC000661165690 945803579 /nfs/dbraw/zinc/80/35/79/945803579.db2.gz YFSNMBVAYJEOMY-LJQANCHMSA-N 0 3 371.477 3.636 20 30 FHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000440910556 946022899 /nfs/dbraw/zinc/02/28/99/946022899.db2.gz JDTLKEXNCMTXLH-TZMCWYRMSA-N 0 3 368.399 3.625 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000444208964 946071655 /nfs/dbraw/zinc/07/16/55/946071655.db2.gz YWVAZZXDFOTQAL-KRWDZBQOSA-N 0 3 369.431 3.938 20 30 FHEDHN N#Cc1ccccc1COc1cccc(CNCc2ccc(C(N)=O)cc2)c1 ZINC000109015147 946316635 /nfs/dbraw/zinc/31/66/35/946316635.db2.gz UPOHGUSFOAHVEU-UHFFFAOYSA-N 0 3 371.440 3.526 20 30 FHEDHN FC(F)(F)Oc1ccc(C#CCN2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441274246 946386440 /nfs/dbraw/zinc/38/64/40/946386440.db2.gz BQDZRXDFMOOFMJ-IRXDYDNUSA-N 0 3 353.384 3.685 20 30 FHEDHN C=CCCO[C@@H](C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000520305019 946391175 /nfs/dbraw/zinc/39/11/75/946391175.db2.gz MMLRQGMFIQLABZ-KRWDZBQOSA-N 0 3 364.917 3.746 20 30 FHEDHN CCN1CCCC[C@@H]1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000520347187 946454385 /nfs/dbraw/zinc/45/43/85/946454385.db2.gz PRRVVSVJEQOCNO-LJQANCHMSA-N 0 3 363.461 3.955 20 30 FHEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000441377498 946531535 /nfs/dbraw/zinc/53/15/35/946531535.db2.gz LORQELQLWDJYFH-QFIPXVFZSA-N 0 3 363.505 3.826 20 30 FHEDHN C=CC1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000441391222 946546990 /nfs/dbraw/zinc/54/69/90/946546990.db2.gz GHLNKKOSJJDMPU-QGZVFWFLSA-N 0 3 350.409 3.681 20 30 FHEDHN C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)C(=O)NC1(C#N)CCCCC1 ZINC000104704402 946574894 /nfs/dbraw/zinc/57/48/94/946574894.db2.gz AFJOCTMMZGTRDU-KXBFYZLASA-N 0 3 357.473 3.988 20 30 FHEDHN C=CCOc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000475322682 946858737 /nfs/dbraw/zinc/85/87/37/946858737.db2.gz RBDZZJCPGATFHN-FQEVSTJZSA-N 0 3 350.462 3.598 20 30 FHEDHN CN(C(=O)c1cccc(SCC#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475309792 946864060 /nfs/dbraw/zinc/86/40/60/946864060.db2.gz YJQBLBZJWYAGPI-IBGZPJMESA-N 0 3 365.502 3.649 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475322814 946898593 /nfs/dbraw/zinc/89/85/93/946898593.db2.gz SOUYNSQYPLOHLN-JOCHJYFZSA-N 0 3 374.488 3.536 20 30 FHEDHN CC[C@@H]1C[C@H](CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCO1 ZINC000475357245 946937657 /nfs/dbraw/zinc/93/76/57/946937657.db2.gz ZHLVLHXHXYQXMK-AHRSYUTCSA-N 0 3 361.917 3.727 20 30 FHEDHN C=C(C)CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC001573293937 946971601 /nfs/dbraw/zinc/97/16/01/946971601.db2.gz OTPFLXFDQASQDL-UHFFFAOYSA-N 0 3 351.429 3.974 20 30 FHEDHN C=C(C)CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC001573293937 946971607 /nfs/dbraw/zinc/97/16/07/946971607.db2.gz OTPFLXFDQASQDL-UHFFFAOYSA-N 0 3 351.429 3.974 20 30 FHEDHN C=C(C)CC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC001573293937 946971615 /nfs/dbraw/zinc/97/16/15/946971615.db2.gz OTPFLXFDQASQDL-UHFFFAOYSA-N 0 3 351.429 3.974 20 30 FHEDHN C=C(C)CC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC001573293937 946971625 /nfs/dbraw/zinc/97/16/25/946971625.db2.gz OTPFLXFDQASQDL-UHFFFAOYSA-N 0 3 351.429 3.974 20 30 FHEDHN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328690555 946989262 /nfs/dbraw/zinc/98/92/62/946989262.db2.gz BSYSPICNTPCLAC-FFGOWVMKSA-N 0 3 374.525 3.957 20 30 FHEDHN Cc1ccc([C@@H](CNC(=O)c2cn3c(n2)CCCC3)N2CCCC2)cc1 ZINC000328698254 946993557 /nfs/dbraw/zinc/99/35/57/946993557.db2.gz HMGBBVWCOHSMDW-LJQANCHMSA-N 0 3 352.482 3.670 20 30 FHEDHN Cc1nccn1C[C@H]1CCCN1C([O-])=[NH+]CC1CC(c2ccccc2)C1 ZINC000328747873 947008486 /nfs/dbraw/zinc/00/84/86/947008486.db2.gz PGIPIOMQGHNWIS-LYBXBRPPSA-N 0 3 352.482 3.764 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328807663 947030192 /nfs/dbraw/zinc/03/01/92/947030192.db2.gz MFFSGSVWPLCWGR-KCUHQSDYSA-N 0 3 374.525 3.650 20 30 FHEDHN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328811058 947032453 /nfs/dbraw/zinc/03/24/53/947032453.db2.gz MTAXCCSSDHHHRQ-ZSXHRAQDSA-N 0 3 360.498 3.648 20 30 FHEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1 ZINC000328823731 947039443 /nfs/dbraw/zinc/03/94/43/947039443.db2.gz IMMGQYQFHAJHQS-KBAYOESNSA-N 0 3 363.465 3.918 20 30 FHEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1 ZINC000328823732 947039702 /nfs/dbraw/zinc/03/97/02/947039702.db2.gz IMMGQYQFHAJHQS-NJAFHUGGSA-N 0 3 363.465 3.918 20 30 FHEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@H](C2CCOCC2)C1 ZINC000328789937 947047684 /nfs/dbraw/zinc/04/76/84/947047684.db2.gz QBSSHZYASDIJFW-RDJZCZTQSA-N 0 3 374.481 3.573 20 30 FHEDHN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CC[C@@H](C2CCOCC2)C1 ZINC000328838118 947058551 /nfs/dbraw/zinc/05/85/51/947058551.db2.gz NHUUIULXRXEQSQ-DOTOQJQBSA-N 0 3 353.466 3.960 20 30 FHEDHN CC[C@@H](CNC(=O)Nc1cccc(C#N)c1C)N1CCc2ccccc2C1 ZINC000432282354 947075072 /nfs/dbraw/zinc/07/50/72/947075072.db2.gz BYHOZBGGNCHXGL-FQEVSTJZSA-N 0 3 362.477 3.825 20 30 FHEDHN C[C@H](CC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1)NC(=O)C1CCCC1 ZINC000328916267 947107668 /nfs/dbraw/zinc/10/76/68/947107668.db2.gz KDJWMXLFBRVMFQ-ATZDWAIDSA-N 0 3 357.498 3.966 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000662078812 947212829 /nfs/dbraw/zinc/21/28/29/947212829.db2.gz HCIOZMXWJRECTC-AHRSYUTCSA-N 0 3 369.509 3.679 20 30 FHEDHN CO[C@H](C)c1nc(C)c(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)s1 ZINC000331126656 947353699 /nfs/dbraw/zinc/35/36/99/947353699.db2.gz RLSVPLJGEBEINP-TZMCWYRMSA-N 0 3 353.532 3.974 20 30 FHEDHN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000331242491 947380016 /nfs/dbraw/zinc/38/00/16/947380016.db2.gz PLTKLTCUAPZZCX-SFHVURJKSA-N 0 3 360.502 3.551 20 30 FHEDHN C=CC1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000523610205 947415895 /nfs/dbraw/zinc/41/58/95/947415895.db2.gz FWUOPIKTAJGDFU-CQSZACIVSA-N 0 3 365.315 3.694 20 30 FHEDHN CC(C)Cc1ccc([C@H](CNC(=O)c2cccc(CC#N)c2)N(C)C)cc1 ZINC000520450135 947450508 /nfs/dbraw/zinc/45/05/08/947450508.db2.gz CEXSNFDHYJLFSB-QFIPXVFZSA-N 0 3 363.505 3.984 20 30 FHEDHN C[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)N1CCCCCC1 ZINC000520467465 947723948 /nfs/dbraw/zinc/72/39/48/947723948.db2.gz SICWZGMOGAGVOT-MRXNPFEDSA-N 0 3 364.449 3.949 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCCc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000106275660 948122663 /nfs/dbraw/zinc/12/26/63/948122663.db2.gz UBFGUPYWQUBFHZ-UHFFFAOYSA-N 0 3 374.916 3.704 20 30 FHEDHN N#Cc1ccc2ncc(CN[C@H](CN3CCCCC3)c3ccccc3)n2c1 ZINC000585766873 948278018 /nfs/dbraw/zinc/27/80/18/948278018.db2.gz NAIPASGTESWSFH-OAQYLSRUSA-N 0 3 359.477 3.523 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000093797323 948322879 /nfs/dbraw/zinc/32/28/79/948322879.db2.gz MNUASDUJXZFYNW-MRXNPFEDSA-N 0 3 373.394 3.769 20 30 FHEDHN CC(C)N1CCN(Cc2ccc(N[C@H]3CC[C@H](C#N)CC3)c(F)c2)CC1 ZINC001167846880 948469975 /nfs/dbraw/zinc/46/99/75/948469975.db2.gz GEYVZFLGKHEEKQ-UAPYVXQJSA-N 0 3 358.505 3.846 20 30 FHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H]2CSC[C@@H]2C)c1C#N ZINC000512164633 948595514 /nfs/dbraw/zinc/59/55/14/948595514.db2.gz OMCCBTXKIJRNBW-SCLBCKFNSA-N 0 3 374.554 3.761 20 30 FHEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(Oc2ccccc2F)CC1 ZINC000601737519 567821908 /nfs/dbraw/zinc/82/19/08/567821908.db2.gz CASOJGAUQFPOFD-GOSISDBHSA-N 0 3 366.436 3.968 20 30 FHEDHN C=C(C)COc1cc(CNC[C@@H]2COc3ccccc3O2)ccc1OC ZINC000060926902 567857803 /nfs/dbraw/zinc/85/78/03/567857803.db2.gz GMSHFKIWVBPJHT-QGZVFWFLSA-N 0 3 355.434 3.580 20 30 FHEDHN C=CCN1CCC(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000186688527 567969629 /nfs/dbraw/zinc/96/96/29/567969629.db2.gz NOXKJYHFUPWQQZ-UHFFFAOYSA-N 0 3 352.400 3.504 20 30 FHEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000602571891 567996199 /nfs/dbraw/zinc/99/61/99/567996199.db2.gz WCYAAKXTFMLSRL-WBVHZDCISA-N 0 3 358.873 3.726 20 30 FHEDHN CC(C)Oc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1Br ZINC000602603378 567996908 /nfs/dbraw/zinc/99/69/08/567996908.db2.gz ZCHYLRGZFOUMQT-AWEZNQCLSA-N 0 3 368.275 3.586 20 30 FHEDHN C[C@@H](CCC#N)CN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000602598335 568000105 /nfs/dbraw/zinc/00/01/05/568000105.db2.gz HLMYNVXRCGETPB-WMZOPIPTSA-N 0 3 365.481 3.781 20 30 FHEDHN CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000602599908 568000478 /nfs/dbraw/zinc/00/04/78/568000478.db2.gz TWTKGAHICIIMOA-HXUWFJFHSA-N 0 3 365.477 3.635 20 30 FHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1c(F)cccc1C#N ZINC000568305890 568013161 /nfs/dbraw/zinc/01/31/61/568013161.db2.gz FACXKPWCFPCKOA-OAQYLSRUSA-N 0 3 367.468 3.513 20 30 FHEDHN N#Cc1cnn2cc(CN3CCCC[C@H]3CCCc3ccccc3)cnc12 ZINC000568392487 568036729 /nfs/dbraw/zinc/03/67/29/568036729.db2.gz DPDTXWUPUDGKOJ-NRFANRHFSA-N 0 3 359.477 3.978 20 30 FHEDHN N#CCC1(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)CC1 ZINC000602816833 568043872 /nfs/dbraw/zinc/04/38/72/568043872.db2.gz CSUPTAUOGZOXFH-UHFFFAOYSA-N 0 3 354.372 3.874 20 30 FHEDHN CCN(Cc1ccccc1)C(=O)CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481650435 568080514 /nfs/dbraw/zinc/08/05/14/568080514.db2.gz NSFBWVKDUIMJMP-JOCHJYFZSA-N 0 3 361.489 3.964 20 30 FHEDHN C[C@H](c1cc2ccccc2o1)N(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603464523 568105377 /nfs/dbraw/zinc/10/53/77/568105377.db2.gz YOZQPCMPXWXOOE-VQIMIIECSA-N 0 3 364.445 3.932 20 30 FHEDHN COc1ccc2nc(N3CCCN(Cc4ccc(C#N)cc4)CC3)ccc2c1 ZINC000603845360 568156966 /nfs/dbraw/zinc/15/69/66/568156966.db2.gz NIKAUTNBJKMFKT-UHFFFAOYSA-N 0 3 372.472 3.827 20 30 FHEDHN CC(C)c1csc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000181910384 568175731 /nfs/dbraw/zinc/17/57/31/568175731.db2.gz FUPWFJBUEWHJAH-UHFFFAOYSA-N 0 3 354.523 3.892 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000481918632 568183441 /nfs/dbraw/zinc/18/34/41/568183441.db2.gz IAXWTIBQPHRYRT-IIBYNOLFSA-N 0 3 372.415 3.633 20 30 FHEDHN C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000330308178 568222087 /nfs/dbraw/zinc/22/20/87/568222087.db2.gz SPBNQXGRJQXKJK-HNAYVOBHSA-N 0 3 358.442 3.638 20 30 FHEDHN C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000330308178 568222088 /nfs/dbraw/zinc/22/20/88/568222088.db2.gz SPBNQXGRJQXKJK-HNAYVOBHSA-N 0 3 358.442 3.638 20 30 FHEDHN N#CC1(NC(=O)CN[C@H](Cc2ccccc2)c2ccccc2)CCCCC1 ZINC000302594779 568233118 /nfs/dbraw/zinc/23/31/18/568233118.db2.gz QCFVPPLXTGHMCN-OAQYLSRUSA-N 0 3 361.489 3.903 20 30 FHEDHN CCN(C[C@H](O)COc1ccc(CC#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000604315987 568245988 /nfs/dbraw/zinc/24/59/88/568245988.db2.gz MKZPJKAALOGCNP-UZLBHIALSA-N 0 3 356.441 3.715 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CN2CCc3ccccc32)CC1 ZINC000303431515 568272723 /nfs/dbraw/zinc/27/27/23/568272723.db2.gz CFBGTVQIZRFGIP-IBGZPJMESA-N 0 3 369.553 3.574 20 30 FHEDHN CN(CCNCc1ccc(C#N)cc1C(F)(F)F)Cc1ccc(F)cc1 ZINC000569055598 568292706 /nfs/dbraw/zinc/29/27/06/568292706.db2.gz NRRHYZDRAITANW-UHFFFAOYSA-N 0 3 365.374 3.938 20 30 FHEDHN COc1cc(CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1C#N ZINC000569171807 568299465 /nfs/dbraw/zinc/29/94/65/568299465.db2.gz CMGBCPLEGKARFN-LJQANCHMSA-N 0 3 373.460 3.732 20 30 FHEDHN CC(C)CN(Cc1ccccc1F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604500662 568301628 /nfs/dbraw/zinc/30/16/28/568301628.db2.gz BQFVROPXJCSQRD-FQEVSTJZSA-N 0 3 370.468 3.790 20 30 FHEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)C(C)C ZINC000604746788 568356413 /nfs/dbraw/zinc/35/64/13/568356413.db2.gz ITBQISQEIKWIDQ-FRQCXROJSA-N 0 3 362.464 3.883 20 30 FHEDHN C[C@]1(c2ccc(F)cc2)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000569542339 568406611 /nfs/dbraw/zinc/40/66/11/568406611.db2.gz UDNVQVKYNYWNGB-IBGZPJMESA-N 0 3 357.454 3.751 20 30 FHEDHN CSc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2Cl)N(C)C)cc1 ZINC000570122473 568452360 /nfs/dbraw/zinc/45/23/60/568452360.db2.gz DFYAEVIWTBXBQZ-SFHVURJKSA-N 0 3 373.909 3.966 20 30 FHEDHN N#Cc1cccc(C2(NCCOc3ccccc3Br)CC2)c1 ZINC000570746098 568515612 /nfs/dbraw/zinc/51/56/12/568515612.db2.gz VBEIAQSSMFCAJD-UHFFFAOYSA-N 0 3 357.251 3.978 20 30 FHEDHN CCc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)N(C)C)cc1 ZINC000570764541 568523396 /nfs/dbraw/zinc/52/33/96/568523396.db2.gz WOPAAISOFLGGOG-IBGZPJMESA-N 0 3 354.429 3.684 20 30 FHEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2cccc(C#N)c2)CC1 ZINC000570903288 568627893 /nfs/dbraw/zinc/62/78/93/568627893.db2.gz KSEXLRZYLWTNFP-UHFFFAOYSA-N 0 3 369.852 3.937 20 30 FHEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000050089929 568699152 /nfs/dbraw/zinc/69/91/52/568699152.db2.gz FUIBSENZRSAPRR-YJBOKZPZSA-N 0 3 364.449 3.524 20 30 FHEDHN C[C@H](NC[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000324151075 568730318 /nfs/dbraw/zinc/73/03/18/568730318.db2.gz BOHCGOYEDSYXCM-SWLSCSKDSA-N 0 3 365.260 3.956 20 30 FHEDHN N#Cc1cc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)ccc1F ZINC000225537076 571161177 /nfs/dbraw/zinc/16/11/77/571161177.db2.gz VPHQWDDJRXMPHU-GFCCVEGCSA-N 0 3 352.335 3.819 20 30 FHEDHN N#CCCCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000737688409 598354853 /nfs/dbraw/zinc/35/48/53/598354853.db2.gz TXNADPGHOXHKCE-UHFFFAOYSA-N 0 3 364.428 3.702 20 30 FHEDHN N#CCCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000737688409 598354855 /nfs/dbraw/zinc/35/48/55/598354855.db2.gz TXNADPGHOXHKCE-UHFFFAOYSA-N 0 3 364.428 3.702 20 30 FHEDHN N#CCCCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000737688409 598354858 /nfs/dbraw/zinc/35/48/58/598354858.db2.gz TXNADPGHOXHKCE-UHFFFAOYSA-N 0 3 364.428 3.702 20 30 FHEDHN N#CCCCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000737688409 598354860 /nfs/dbraw/zinc/35/48/60/598354860.db2.gz TXNADPGHOXHKCE-UHFFFAOYSA-N 0 3 364.428 3.702 20 30 FHEDHN C[C@@H](N[C@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507241585 945067322 /nfs/dbraw/zinc/06/73/22/945067322.db2.gz ALJZTBWSQFVKHC-VXGBXAGGSA-N 0 3 367.840 3.766 20 30 FHEDHN N#CC(C(=O)CCCOc1ccccc1Br)c1ccccn1 ZINC000049458171 927067982 /nfs/dbraw/zinc/06/79/82/927067982.db2.gz HBLSESIXMYMELY-ZDUSSCGKSA-N 0 3 359.223 3.880 20 30 FHEDHN COc1ccc2ccccc2c1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430173460 927520467 /nfs/dbraw/zinc/52/04/67/927520467.db2.gz WIMHKMMQIVMAFY-GOSISDBHSA-N 0 3 359.429 3.768 20 30 FHEDHN C[C@@H](C(=O)N1CCC(CCC#N)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000579837214 928344172 /nfs/dbraw/zinc/34/41/72/928344172.db2.gz WDJFVHHNLSFXPS-IBGZPJMESA-N 0 3 367.537 3.872 20 30 FHEDHN C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1OC ZINC000109289774 928984059 /nfs/dbraw/zinc/98/40/59/928984059.db2.gz BNIOFGCEGRVNQM-IBGZPJMESA-N 0 3 368.477 3.601 20 30 FHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)n(Cc3ccccn3)c2C)n1 ZINC000047358628 929047388 /nfs/dbraw/zinc/04/73/88/929047388.db2.gz CKRBXYSEVVBXGO-QGZVFWFLSA-N 0 3 350.447 3.803 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2ccc3c(c2)CC(=O)N3)c([O-])c1 ZINC000255031401 929350372 /nfs/dbraw/zinc/35/03/72/929350372.db2.gz XWBQWFLEPOVZNW-CRRPLPBISA-N 0 3 351.450 3.913 20 30 FHEDHN C=CCCCCN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OCC ZINC001209206906 929502549 /nfs/dbraw/zinc/50/25/49/929502549.db2.gz COFGYPBLUDBGBH-SFHVURJKSA-N 0 3 361.482 3.913 20 30 FHEDHN C=CCN1CCC(NC(=O)c2cccc3cccc(Br)c32)CC1 ZINC000510310374 929940861 /nfs/dbraw/zinc/94/08/61/929940861.db2.gz KMAHUZVAMIWMOY-UHFFFAOYSA-N 0 3 373.294 3.983 20 30 FHEDHN CC[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000278215708 937375120 /nfs/dbraw/zinc/37/51/20/937375120.db2.gz IHDOWFXVILIWLU-LEWJYISDSA-N 0 3 363.461 3.917 20 30 FHEDHN C=CCN(CC=C)C(=O)CN1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175856986 930025287 /nfs/dbraw/zinc/02/52/87/930025287.db2.gz AWNAWQOZLYOHDQ-MSOLQXFVSA-N 0 3 362.539 3.617 20 30 FHEDHN Cc1nc(-c2ccc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)cc2)n[nH]1 ZINC000134154245 930313115 /nfs/dbraw/zinc/31/31/15/930313115.db2.gz OBENTWMADOWREG-AWEZNQCLSA-N 0 3 371.322 3.684 20 30 FHEDHN CCc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000610400186 930368195 /nfs/dbraw/zinc/36/81/95/930368195.db2.gz QKEGCJPOWRVYCR-HRAATJIYSA-N 0 3 364.493 3.784 20 30 FHEDHN N#CC(C(=O)c1ccnc2ccncc21)c1nc2ccccc2n1C(F)F ZINC000580264085 930417064 /nfs/dbraw/zinc/41/70/64/930417064.db2.gz NUYYQCONUFLHKF-LBPRGKRZSA-N 0 3 363.327 3.865 20 30 FHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000579816903 931074448 /nfs/dbraw/zinc/07/44/48/931074448.db2.gz NNBWFSLGSYETRO-RBBKRZOGSA-N 0 3 374.488 3.509 20 30 FHEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000156902523 931688819 /nfs/dbraw/zinc/68/88/19/931688819.db2.gz JNZSFMSDWIPPCZ-NRFANRHFSA-N 0 3 368.502 3.853 20 30 FHEDHN CN(Cc1ccccc1C#N)[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000156981887 931757607 /nfs/dbraw/zinc/75/76/07/931757607.db2.gz PBIWVOLTVKYTOV-QHCPKHFHSA-N 0 3 358.489 3.916 20 30 FHEDHN CC(C)N(C)CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000126410305 931807289 /nfs/dbraw/zinc/80/72/89/931807289.db2.gz WOVGQYVNIAHLID-UHFFFAOYSA-N 0 3 353.441 3.566 20 30 FHEDHN C[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000126416099 931812536 /nfs/dbraw/zinc/81/25/36/931812536.db2.gz NHSYYLKBICYNKL-IRXDYDNUSA-N 0 3 362.477 3.836 20 30 FHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)Cc2csc(CC)n2)cc1 ZINC000121305032 931944572 /nfs/dbraw/zinc/94/45/72/931944572.db2.gz LBZUHLLSNBASCB-KRWDZBQOSA-N 0 3 369.490 3.938 20 30 FHEDHN COc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c(OC)c1OC ZINC000430587583 931967525 /nfs/dbraw/zinc/96/75/25/931967525.db2.gz WLEWGQBIFBKPBV-LBPRGKRZSA-N 0 3 374.462 3.956 20 30 FHEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000610503720 932007449 /nfs/dbraw/zinc/00/74/49/932007449.db2.gz SPVOYVXJFYYNFM-NRFANRHFSA-N 0 3 362.477 3.536 20 30 FHEDHN CSc1ccc([C@H](CNC(=O)N2CCC(CCC#N)CC2)N(C)C)cc1 ZINC000581426484 932053611 /nfs/dbraw/zinc/05/36/11/932053611.db2.gz VHJNXMLJXCFCSE-IBGZPJMESA-N 0 3 374.554 3.737 20 30 FHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCc2ccc(C)s2)cc1 ZINC000176020917 932491508 /nfs/dbraw/zinc/49/15/08/932491508.db2.gz LKMQNXFQZYZKOT-QGZVFWFLSA-N 0 3 356.447 3.735 20 30 FHEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)C1 ZINC000292928983 932629405 /nfs/dbraw/zinc/62/94/05/932629405.db2.gz YVBZGTPBKDCWSQ-IPYPFGDCSA-N 0 3 363.387 3.620 20 30 FHEDHN CN(Cc1cc(C#N)cs1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000891544004 932730531 /nfs/dbraw/zinc/73/05/31/932730531.db2.gz WPIPKKRRVFBVCQ-INIZCTEOSA-N 0 3 374.535 3.660 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Cl)c1F ZINC000178174493 932760431 /nfs/dbraw/zinc/76/04/31/932760431.db2.gz SJYAAWNAJGVYMN-UHFFFAOYSA-N 0 3 359.832 3.555 20 30 FHEDHN CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548287742 932832580 /nfs/dbraw/zinc/83/25/80/932832580.db2.gz KLNZWFRKYQXKBF-SFHVURJKSA-N 0 3 353.853 3.558 20 30 FHEDHN CC(C)[C@H]1CCC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000510596033 933256590 /nfs/dbraw/zinc/25/65/90/933256590.db2.gz IRLOEJPOVMFZSV-SFTDATJTSA-N 0 3 370.541 3.846 20 30 FHEDHN N#CCc1ccc(OC[C@@H](O)CN2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000610605346 933513229 /nfs/dbraw/zinc/51/32/29/933513229.db2.gz YUMMBBXOWBGKLB-UNMCSNQZSA-N 0 3 368.452 3.859 20 30 FHEDHN N#CCc1ccc(OC[C@@H](O)CN2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000610605345 933513328 /nfs/dbraw/zinc/51/33/28/933513328.db2.gz YUMMBBXOWBGKLB-RBBKRZOGSA-N 0 3 368.452 3.859 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C/C=C/c1cccc(F)c1 ZINC000176032946 933777060 /nfs/dbraw/zinc/77/70/60/933777060.db2.gz SREUGZYPJYNMSR-GQCTYLIASA-N 0 3 365.452 3.691 20 30 FHEDHN Cc1cc(C(C#N)C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)nc(C)n1 ZINC000431128475 933879147 /nfs/dbraw/zinc/87/91/47/933879147.db2.gz RPMHZFPSOKPHMG-IBGZPJMESA-N 0 3 370.412 3.580 20 30 FHEDHN C[C@@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(OCC#N)cc1 ZINC000276891145 933880828 /nfs/dbraw/zinc/88/08/28/933880828.db2.gz HSBHACJTCLZROK-UZLBHIALSA-N 0 3 355.482 3.563 20 30 FHEDHN N#CCCCOc1cccc(CN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000091792372 933892457 /nfs/dbraw/zinc/89/24/57/933892457.db2.gz RHYCNLSVWIFVJK-UHFFFAOYSA-N 0 3 374.488 3.953 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000610933067 934633968 /nfs/dbraw/zinc/63/39/68/934633968.db2.gz XWHPHWFMZDTGJJ-LAUBAEHRSA-N 0 3 359.473 3.542 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000181309024 934645619 /nfs/dbraw/zinc/64/56/19/934645619.db2.gz ARNACKCGSAMEIV-CQSZACIVSA-N 0 3 369.431 3.586 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@](C)(Cc2ccccc2)C2CC2)CC1 ZINC000458316093 934685579 /nfs/dbraw/zinc/68/55/79/934685579.db2.gz HEGVFRIMFVDDQK-JOCHJYFZSA-N 0 3 355.526 3.738 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]\C2CCC(O)(c3cccnc3)CC2)c([O-])c1 ZINC000588488862 934918558 /nfs/dbraw/zinc/91/85/58/934918558.db2.gz CWIBWVYKWGCHIV-IWIPYMOSSA-N 0 3 367.493 3.883 20 30 FHEDHN N#Cc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1Cl ZINC000548627021 935052645 /nfs/dbraw/zinc/05/26/45/935052645.db2.gz OMBPINRBHSJPCJ-IBGZPJMESA-N 0 3 353.853 3.779 20 30 FHEDHN C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(C#N)cc1F ZINC000551393465 935268934 /nfs/dbraw/zinc/26/89/34/935268934.db2.gz ICXFLMBJAPDGNX-YLJYHZDGSA-N 0 3 367.468 3.639 20 30 FHEDHN C[C@@H]1[C@H](C)SCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000118416908 935423854 /nfs/dbraw/zinc/42/38/54/935423854.db2.gz QFMQEECWXNPRPK-OLZOCXBDSA-N 0 3 363.552 3.653 20 30 FHEDHN N#Cc1ccc(OC[C@@H](O)CNC(c2ccccc2)c2ccccc2)cc1 ZINC000023387264 935581247 /nfs/dbraw/zinc/58/12/47/935581247.db2.gz AYLGKMWSJSDDOD-NRFANRHFSA-N 0 3 358.441 3.677 20 30 FHEDHN CC(C)[C@H](C(=O)NCc1cc(F)cc2c1OCOC2)N1CCCCC1 ZINC000329083900 935861244 /nfs/dbraw/zinc/86/12/44/935861244.db2.gz FKSDNMYEEOKCBC-QGZVFWFLSA-N 0 3 350.434 3.659 20 30 FHEDHN COc1ccc([C@H](CCC#N)N[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000375723191 935892617 /nfs/dbraw/zinc/89/26/17/935892617.db2.gz DEJYYBURASMWEP-QUCCMNQESA-N 0 3 350.466 3.694 20 30 FHEDHN C[C@@H]1[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCN1Cc1ccccc1 ZINC000582805939 936141834 /nfs/dbraw/zinc/14/18/34/936141834.db2.gz UYBAWTNYIVRORO-UTKZUKDTSA-N 0 3 359.473 3.635 20 30 FHEDHN Cc1ccc(C)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000161662211 936281477 /nfs/dbraw/zinc/28/14/77/936281477.db2.gz XPZKDNVGYOKTHS-UHFFFAOYSA-N 0 3 350.466 3.771 20 30 FHEDHN CN1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000245644159 938309485 /nfs/dbraw/zinc/30/94/85/938309485.db2.gz LBLGOGPVVUFAMR-MJGOQNOKSA-N 0 3 365.481 3.682 20 30 FHEDHN C=C(C)COc1cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1OC ZINC000246084769 938337326 /nfs/dbraw/zinc/33/73/26/938337326.db2.gz IENRPZOEVYBCOQ-PKOBYXMFSA-N 0 3 355.482 3.930 20 30 FHEDHN CC1CCN([C@H](CNC(=O)Nc2cccc(C#N)n2)c2cccs2)CC1 ZINC000583751640 938390673 /nfs/dbraw/zinc/39/06/73/938390673.db2.gz MSHPGGLFYZJPRQ-MRXNPFEDSA-N 0 3 369.494 3.609 20 30 FHEDHN CSc1ccc([C@@H](CNC(=O)NCC2CCC(C#N)CC2)N(C)C)cc1 ZINC000458738639 938506221 /nfs/dbraw/zinc/50/62/21/938506221.db2.gz QLMKNGROVJWJIO-LADRWXRNSA-N 0 3 374.554 3.640 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccc2N(C)C)CC1 ZINC000151377286 938534923 /nfs/dbraw/zinc/53/49/23/938534923.db2.gz RKSKPPDOWZIZDC-UHFFFAOYSA-N 0 3 350.894 3.568 20 30 FHEDHN C[C@H](CCSc1ccccc1)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000431601216 938995022 /nfs/dbraw/zinc/99/50/22/938995022.db2.gz BSYVVQPDUKNVOQ-QGZVFWFLSA-N 0 3 352.507 3.646 20 30 FHEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1c(F)cccc1F ZINC000120833479 945222102 /nfs/dbraw/zinc/22/21/02/945222102.db2.gz LGQYIOCXFJTJJL-HNNXBMFYSA-N 0 3 371.431 3.530 20 30 FHEDHN C[C@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000472357585 939048256 /nfs/dbraw/zinc/04/82/56/939048256.db2.gz BOYIYUXMEHKDDM-PZJWPPBQSA-N 0 3 361.489 3.886 20 30 FHEDHN CC1CCN([C@@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)c2ccccc2)CC1 ZINC000612114435 939079107 /nfs/dbraw/zinc/07/91/07/939079107.db2.gz FZEVWOAWDQQYIE-UNMCSNQZSA-N 0 3 368.525 3.795 20 30 FHEDHN CCOc1ccc(O)c(/C=N/C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)c1 ZINC000194860570 945228203 /nfs/dbraw/zinc/22/82/03/945228203.db2.gz JDYJMNZDAHJMCE-ZFJBLLOBSA-N 0 3 372.465 3.530 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)CC1 ZINC000440162757 945272686 /nfs/dbraw/zinc/27/26/86/945272686.db2.gz SQIHLHXTBJNRSL-QHCPKHFHSA-N 0 3 367.537 3.717 20 30 FHEDHN N#Cc1cccc(C=Cc2nc3c(c(=O)[n-]2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000375824205 939947787 /nfs/dbraw/zinc/94/77/87/939947787.db2.gz MPZKVSNQKBYEFR-MDZDMXLPSA-N 0 3 368.440 3.783 20 30 FHEDHN N#Cc1cccc(C=Cc2nc3c(c(=O)[n-]2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000375824205 939947789 /nfs/dbraw/zinc/94/77/89/939947789.db2.gz MPZKVSNQKBYEFR-MDZDMXLPSA-N 0 3 368.440 3.783 20 30 FHEDHN COCCOc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000179816843 939951699 /nfs/dbraw/zinc/95/16/99/939951699.db2.gz WHHXQUJZGYXQCA-UHFFFAOYSA-N 0 3 365.477 3.660 20 30 FHEDHN CC(C)Oc1ccc2nccc(N3CCN(c4cnccc4C#N)CC3)c2c1 ZINC000569917590 940037747 /nfs/dbraw/zinc/03/77/47/940037747.db2.gz JVIMBOWFHARUIZ-UHFFFAOYSA-N 0 3 373.460 3.615 20 30 FHEDHN CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000179888590 940084012 /nfs/dbraw/zinc/08/40/12/940084012.db2.gz SARHKRPMESQPGS-UHFFFAOYSA-N 0 3 374.444 3.710 20 30 FHEDHN Cc1oc(C#N)cc1C(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000376003167 940171369 /nfs/dbraw/zinc/17/13/69/940171369.db2.gz JESBDZYTYDYTTR-KDOFPFPSSA-N 0 3 357.841 3.536 20 30 FHEDHN COc1cc(C#N)ccc1CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000582574919 940732468 /nfs/dbraw/zinc/73/24/68/940732468.db2.gz PURMBJWWNORBAI-ICSRJNTNSA-N 0 3 355.869 3.755 20 30 FHEDHN CC[C@@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000330085493 945350087 /nfs/dbraw/zinc/35/00/87/945350087.db2.gz RJHUIUJLVGDQOU-SJLPKXTDSA-N 0 3 352.862 3.588 20 30 FHEDHN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CCCN3C3CCCC3)cn2)C[C@@H](C)O1 ZINC000330099721 945356033 /nfs/dbraw/zinc/35/60/33/945356033.db2.gz ZYYJNVAMPUEINT-MDZRGWNJSA-N 0 3 372.513 3.690 20 30 FHEDHN COc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1Cl ZINC000180302788 940932838 /nfs/dbraw/zinc/93/28/38/940932838.db2.gz LTUMWGARCIQLLZ-UHFFFAOYSA-N 0 3 366.852 3.911 20 30 FHEDHN C=CCC[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(C(F)(F)F)cc1 ZINC000659472573 941290968 /nfs/dbraw/zinc/29/09/68/941290968.db2.gz OLFOGOYWSDCOIN-BZUAXINKSA-N 0 3 373.394 3.793 20 30 FHEDHN CCN1CC[C@H](NCC#Cc2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549112863 941347582 /nfs/dbraw/zinc/34/75/82/941347582.db2.gz MAHQABHOHMENHB-FPOVZHCZSA-N 0 3 358.407 3.881 20 30 FHEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415006115 941541841 /nfs/dbraw/zinc/54/18/41/941541841.db2.gz JYUJUZGMRDBOQJ-LSDHHAIUSA-N 0 3 350.422 3.565 20 30 FHEDHN C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H](C)CN1 ZINC000415006112 941541858 /nfs/dbraw/zinc/54/18/58/941541858.db2.gz JYUJUZGMRDBOQJ-HUUCEWRRSA-N 0 3 350.422 3.565 20 30 FHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)n1 ZINC000892802433 941570027 /nfs/dbraw/zinc/57/00/27/941570027.db2.gz MLZHDLUBDJMMGI-CABCVRRESA-N 0 3 353.447 3.708 20 30 FHEDHN CN(C)C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000549239504 941706046 /nfs/dbraw/zinc/70/60/46/941706046.db2.gz DUIVZLHFZGSDIV-GOSISDBHSA-N 0 3 373.909 3.723 20 30 FHEDHN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000513416905 941913596 /nfs/dbraw/zinc/91/35/96/941913596.db2.gz RLHSFXNKMDTGIG-KXSVDRQTSA-N 0 3 367.497 3.533 20 30 FHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433957327 942016016 /nfs/dbraw/zinc/01/60/16/942016016.db2.gz IQWMWGOLSIJTAX-NRFANRHFSA-N 0 3 368.525 3.743 20 30 FHEDHN CN(Cc1ccc(C#N)o1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377923645 942073255 /nfs/dbraw/zinc/07/32/55/942073255.db2.gz QSZQAYHCZLWUEF-UHFFFAOYSA-N 0 3 352.438 3.527 20 30 FHEDHN C=CCOc1cccc(CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000501120543 942319198 /nfs/dbraw/zinc/31/91/98/942319198.db2.gz MANBHGUNACIZLK-OAQYLSRUSA-N 0 3 368.521 3.866 20 30 FHEDHN C=CCC1(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)CCOCC1 ZINC000424846938 942401256 /nfs/dbraw/zinc/40/12/56/942401256.db2.gz JXHMBRDJRXNFGQ-NRFANRHFSA-N 0 3 372.553 3.977 20 30 FHEDHN N#Cc1ccc(CNCc2ccc(COC3CCOCC3)cc2)cc1F ZINC000421340140 942494197 /nfs/dbraw/zinc/49/41/97/942494197.db2.gz IATMCOBGIMHEPS-UHFFFAOYSA-N 0 3 354.425 3.683 20 30 FHEDHN N#Cc1ccc(NC(=O)CCN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502528560 942503545 /nfs/dbraw/zinc/50/35/45/942503545.db2.gz KKIUUGQMAXWJMZ-UHFFFAOYSA-N 0 3 356.429 3.548 20 30 FHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](Oc2ccccc2)C1 ZINC000502552221 942519001 /nfs/dbraw/zinc/51/90/01/942519001.db2.gz BFVMEIAXRVVGPQ-IFMALSPDSA-N 0 3 367.489 3.698 20 30 FHEDHN N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000502568513 942547642 /nfs/dbraw/zinc/54/76/42/942547642.db2.gz INLZEYKVYGOUBW-GOSISDBHSA-N 0 3 369.440 3.573 20 30 FHEDHN CC1(C)CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H]1C#N ZINC000434446993 942671140 /nfs/dbraw/zinc/67/11/40/942671140.db2.gz SGUXCUAXWBBVDZ-IEBWSBKVSA-N 0 3 357.473 3.578 20 30 FHEDHN C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(OCC#N)cc1 ZINC000182639791 942769046 /nfs/dbraw/zinc/76/90/46/942769046.db2.gz UTPUDRPBYSWWRR-KRWDZBQOSA-N 0 3 350.466 3.514 20 30 FHEDHN CCOC(=O)CC1(NCc2cc(C#N)ccc2Br)CCCC1 ZINC000434617360 942804500 /nfs/dbraw/zinc/80/45/00/942804500.db2.gz UETBPNRFPQBTQW-UHFFFAOYSA-N 0 3 365.271 3.676 20 30 FHEDHN CCCC[C@H](ON=C(C)C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000273458328 942962319 /nfs/dbraw/zinc/96/23/19/942962319.db2.gz MIJVWFGMESPQKR-PXNSSMCTSA-N 0 3 374.529 3.694 20 30 FHEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000184322677 942998887 /nfs/dbraw/zinc/99/88/87/942998887.db2.gz DPKKXALTNZNDHX-HNNXBMFYSA-N 0 3 372.494 3.635 20 30 FHEDHN N#Cc1c(N)sc(CN2CCN(CC3CCCCC3)CC2)c1Cl ZINC001141109455 943013681 /nfs/dbraw/zinc/01/36/81/943013681.db2.gz RLDQSTBLBRNTIK-UHFFFAOYSA-N 0 3 352.935 3.553 20 30 FHEDHN CCCOc1ccc2c(c1)CCN(CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000434884909 943029920 /nfs/dbraw/zinc/02/99/20/943029920.db2.gz GJEHGVURNJFABC-UHFFFAOYSA-N 0 3 363.461 3.734 20 30 FHEDHN CCOCCOCc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271828682 943056899 /nfs/dbraw/zinc/05/68/99/943056899.db2.gz DLEXVZOFAUZHBU-SFHVURJKSA-N 0 3 368.477 3.993 20 30 FHEDHN Cc1cc(CN(C)Cc2cn(CCC#N)nc2-c2ccncc2)ccc1F ZINC000434989061 943088115 /nfs/dbraw/zinc/08/81/15/943088115.db2.gz ZINURZNUERVHSF-UHFFFAOYSA-N 0 3 363.440 3.938 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCC1CCCCC1 ZINC000503264227 943091542 /nfs/dbraw/zinc/09/15/42/943091542.db2.gz YFWNLWRSRCSLPU-UHFFFAOYSA-N 0 3 370.541 3.992 20 30 FHEDHN COc1ccc([C@@H](CCC#N)N[C@@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000363937928 943101089 /nfs/dbraw/zinc/10/10/89/943101089.db2.gz IZUNBYWMVTVFGQ-VQIMIIECSA-N 0 3 370.884 3.957 20 30 FHEDHN CC(C)(C)CCN1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000508088629 943108707 /nfs/dbraw/zinc/10/87/07/943108707.db2.gz PBHFWIXDAFJQNE-UHFFFAOYSA-N 0 3 359.518 3.700 20 30 FHEDHN C[C@H](N[C@H]1CCC[C@H]1OCc1ccccc1)C(=O)Nc1ccccc1C#N ZINC000503514657 943228977 /nfs/dbraw/zinc/22/89/77/943228977.db2.gz AELJBZCHONVSEX-ORYQWCPZSA-N 0 3 363.461 3.613 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2Oc2cccc(C)c2)CC1 ZINC000435184436 943235153 /nfs/dbraw/zinc/23/51/53/943235153.db2.gz SECOUDYIULFAIG-LEWJYISDSA-N 0 3 371.525 3.635 20 30 FHEDHN COc1cc(CNCCCC#N)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000273093286 943273924 /nfs/dbraw/zinc/27/39/24/943273924.db2.gz TVPDNYYEDOEUOB-UHFFFAOYSA-N 0 3 355.394 3.576 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000503593956 943280676 /nfs/dbraw/zinc/28/06/76/943280676.db2.gz GYPALOUUVGBXBV-SFHVURJKSA-N 0 3 368.525 3.754 20 30 FHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1CCC(C#N)CC1 ZINC000514837469 943331345 /nfs/dbraw/zinc/33/13/45/943331345.db2.gz UTUNDAGVWGYGRG-HDYDNRTBSA-N 0 3 368.525 3.622 20 30 FHEDHN COC(=O)c1ccc(COc2ccccc2CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425355702 943348555 /nfs/dbraw/zinc/34/85/55/943348555.db2.gz OZAKMYMZNKXPOO-FXAWDEMLSA-N 0 3 364.445 3.834 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3ccc(CC)cc3)C2)CC1 ZINC000431921089 943348974 /nfs/dbraw/zinc/34/89/74/943348974.db2.gz WDPNWVDRYUBHHJ-FQEVSTJZSA-N 0 3 355.526 3.788 20 30 FHEDHN C=C(C)[C@H](CC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)OCC ZINC000503766697 943362839 /nfs/dbraw/zinc/36/28/39/943362839.db2.gz AJVRUIXPGQMFNT-FQEVSTJZSA-N 0 3 359.514 3.527 20 30 FHEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000423048138 943368301 /nfs/dbraw/zinc/36/83/01/943368301.db2.gz IEYQSXXLKIUTJI-HXUWFJFHSA-N 0 3 369.509 3.737 20 30 FHEDHN COCCOc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000425365998 943375959 /nfs/dbraw/zinc/37/59/59/943375959.db2.gz NTWXKZXVTUJPAH-MRXNPFEDSA-N 0 3 354.450 3.785 20 30 FHEDHN C=C(C)[C@@H](NCCc1c(C)nc2ccccn2c1=O)c1ccc(F)c(F)c1 ZINC000514971573 943424550 /nfs/dbraw/zinc/42/45/50/943424550.db2.gz AGFNOGDVKBRQSJ-HXUWFJFHSA-N 0 3 369.415 3.731 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000435735727 943588629 /nfs/dbraw/zinc/58/86/29/943588629.db2.gz PNSKWAOMLGMHJN-PXAZEXFGSA-N 0 3 367.280 3.645 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC(C1CCC1)C1CCC1 ZINC000511632828 943672847 /nfs/dbraw/zinc/67/28/47/943672847.db2.gz YNRVSXZLCJISTM-UHFFFAOYSA-N 0 3 368.525 3.600 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000424105227 943720345 /nfs/dbraw/zinc/72/03/45/943720345.db2.gz VDEAZLWXCNSFQE-RTBURBONSA-N 0 3 355.869 3.761 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000424113935 943738388 /nfs/dbraw/zinc/73/83/88/943738388.db2.gz PDJFLTIXOBBMDC-JKSUJKDBSA-N 0 3 353.388 3.780 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000424114830 943738831 /nfs/dbraw/zinc/73/88/31/943738831.db2.gz SGMQAVZORSDCOK-QGZVFWFLSA-N 0 3 359.376 3.503 20 30 FHEDHN Cc1cccc(COc2ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc2)c1 ZINC000424117943 943741059 /nfs/dbraw/zinc/74/10/59/943741059.db2.gz ZJWNLJXNGOTFQR-UTKZUKDTSA-N 0 3 365.477 3.772 20 30 FHEDHN CC(C)[C@H](CNC(=O)[C@@H](N)CCCC#N)Cc1ccc(Cl)cc1Cl ZINC000424135211 943747674 /nfs/dbraw/zinc/74/76/74/943747674.db2.gz JCIFEQPNLHANBT-YOEHRIQHSA-N 0 3 370.324 3.945 20 30 FHEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000424295888 943825099 /nfs/dbraw/zinc/82/50/99/943825099.db2.gz NRDINLTUQPLGME-IRXDYDNUSA-N 0 3 350.388 3.909 20 30 FHEDHN N#Cc1ccc(NC(=O)CCN2CCS[C@@H]3CCCC[C@H]32)cc1Cl ZINC000437504570 943868527 /nfs/dbraw/zinc/86/85/27/943868527.db2.gz MBPGRSPBRWONCH-IAGOWNOFSA-N 0 3 363.914 3.900 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)NCCc1cccc(C#N)c1)c1ccsc1 ZINC000584487217 943901913 /nfs/dbraw/zinc/90/19/13/943901913.db2.gz RUZFYFPSFIZZDK-IBGZPJMESA-N 0 3 370.522 3.545 20 30 FHEDHN C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000425438383 943936753 /nfs/dbraw/zinc/93/67/53/943936753.db2.gz ANYAUPWTSVWPNY-QZTJIDSGSA-N 0 3 364.493 3.781 20 30 FHEDHN CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CCN2CCn1ccnc1 ZINC001270238483 943950759 /nfs/dbraw/zinc/95/07/59/943950759.db2.gz XZXFKRVCTFROFH-PMACEKPBSA-N 0 3 360.546 3.699 20 30 FHEDHN C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000436100171 944014266 /nfs/dbraw/zinc/01/42/66/944014266.db2.gz JFZARARQMWHAMX-JHJVBQTASA-N 0 3 369.387 3.699 20 30 FHEDHN C=CCC1(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CCOCC1 ZINC000424720220 944069386 /nfs/dbraw/zinc/06/93/86/944069386.db2.gz KOWNOHKDNDEELZ-NRFANRHFSA-N 0 3 370.537 3.949 20 30 FHEDHN N#CCCC[C@@H](NC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1 ZINC000418218058 944277707 /nfs/dbraw/zinc/27/77/07/944277707.db2.gz QEJLXKUDZONQIM-NHCUHLMSSA-N 0 3 362.477 3.608 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](C)C(F)(F)F ZINC000439044645 944282973 /nfs/dbraw/zinc/28/29/73/944282973.db2.gz QDRSEYIDJOFLIU-CYBMUJFWSA-N 0 3 362.465 3.783 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2c(C)cccc2Br)CC1 ZINC000517449317 944307826 /nfs/dbraw/zinc/30/78/26/944307826.db2.gz OYQMOBAWBPSIKO-UHFFFAOYSA-N 0 3 351.288 3.528 20 30 FHEDHN CCN(CCc1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000425554512 944325118 /nfs/dbraw/zinc/32/51/18/944325118.db2.gz WPROAIODPFCDPF-AWEZNQCLSA-N 0 3 367.415 3.521 20 30 FHEDHN COc1ccc([C@@H]2CCCN2CCOc2ccc(C#N)cc2)c(OC)c1 ZINC000015366987 944406166 /nfs/dbraw/zinc/40/61/66/944406166.db2.gz WISITUGXPSELMI-FQEVSTJZSA-N 0 3 352.434 3.791 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000111770279 944428872 /nfs/dbraw/zinc/42/88/72/944428872.db2.gz XVYXAFDLRQXBMR-UHFFFAOYSA-N 0 3 374.488 3.643 20 30 FHEDHN N#Cc1ccccc1Oc1ccc(NC(=O)NCCN2CCCCC2)cc1 ZINC000517678181 944505283 /nfs/dbraw/zinc/50/52/83/944505283.db2.gz ACJSSEOOVGOPEV-UHFFFAOYSA-N 0 3 364.449 3.958 20 30 FHEDHN FC(F)(F)c1cc(CN[C@@H]2CNCCC2(F)F)cc(C(F)(F)F)c1 ZINC000414993414 944515154 /nfs/dbraw/zinc/51/51/54/944515154.db2.gz CHGMPZFYFMLITR-LLVKDONJSA-N 0 3 362.264 3.811 20 30 FHEDHN FC(F)(F)c1cc(CN[C@H]2CNCCC2(F)F)cc(C(F)(F)F)c1 ZINC000414993415 944515374 /nfs/dbraw/zinc/51/53/74/944515374.db2.gz CHGMPZFYFMLITR-NSHDSACASA-N 0 3 362.264 3.811 20 30 FHEDHN CC1(C)CN(Cc2cccc(OCc3ccccc3C#N)c2)CC[C@H]1O ZINC000438334829 944515934 /nfs/dbraw/zinc/51/59/34/944515934.db2.gz ASVVUAZAVWDCDW-OAQYLSRUSA-N 0 3 350.462 3.730 20 30 FHEDHN CCc1sc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1C ZINC000047010483 944518323 /nfs/dbraw/zinc/51/83/23/944518323.db2.gz RVYCWBXQYWDOOD-UHFFFAOYSA-N 0 3 355.507 3.695 20 30 FHEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000425612562 944548524 /nfs/dbraw/zinc/54/85/24/944548524.db2.gz UTEFJTXXCGKAKS-QHAWAJNXSA-N 0 3 359.473 3.571 20 30 FHEDHN CCOCOc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000783418546 944563204 /nfs/dbraw/zinc/56/32/04/944563204.db2.gz DVCGTLSKQMMUKJ-UHFFFAOYSA-N 0 3 365.477 3.643 20 30 FHEDHN N#Cc1cccc(CCNCc2c(F)ccc(Br)c2F)c1 ZINC000500387286 944712457 /nfs/dbraw/zinc/71/24/57/944712457.db2.gz VZTOGYQQTMAVJP-UHFFFAOYSA-N 0 3 351.194 3.931 20 30 FHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000425643631 944756719 /nfs/dbraw/zinc/75/67/19/944756719.db2.gz IXUVLXSIERGAIB-OXJNMPFZSA-N 0 3 350.466 3.564 20 30 FHEDHN C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000518852231 944865282 /nfs/dbraw/zinc/86/52/82/944865282.db2.gz GPCGSPFWWPQTAB-MSOLQXFVSA-N 0 3 353.514 3.516 20 30 FHEDHN N#Cc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000505927960 944911186 /nfs/dbraw/zinc/91/11/86/944911186.db2.gz GPQDABRZONQSHA-GOSISDBHSA-N 0 3 355.388 3.654 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@](F)(c3ccccc3C)C2)CC1 ZINC000507178782 945010147 /nfs/dbraw/zinc/01/01/47/945010147.db2.gz IVWPPFLRRVYZBT-NRFANRHFSA-N 0 3 359.489 3.616 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@]2(c3cccc(C)c3)C[C@@H]2CC)CC1 ZINC000507185191 945015431 /nfs/dbraw/zinc/01/54/31/945015431.db2.gz YSFJVFRLEIYOEC-AVRDEDQJSA-N 0 3 355.526 3.960 20 30 FHEDHN C=CCN1CCC(NC(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000432083980 945026668 /nfs/dbraw/zinc/02/66/68/945026668.db2.gz BJRNVHYSOOREKL-KRWDZBQOSA-N 0 3 369.431 3.672 20 30 FHEDHN N#Cc1c(Cl)cccc1NCCCN1CCN(c2ccccc2)CC1 ZINC000507215137 945046021 /nfs/dbraw/zinc/04/60/21/945046021.db2.gz LNGSWWIXMAVVEP-UHFFFAOYSA-N 0 3 354.885 3.836 20 30 FHEDHN CC1(C)CN(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330165796 945382814 /nfs/dbraw/zinc/38/28/14/945382814.db2.gz XHOTZXSGTMABKG-DENIHFKCSA-N 0 3 372.509 3.681 20 30 FHEDHN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330216448 945406340 /nfs/dbraw/zinc/40/63/40/945406340.db2.gz HUNOBKYHPNADSN-KHIZAZIESA-N 0 3 352.862 3.791 20 30 FHEDHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000125211795 945671142 /nfs/dbraw/zinc/67/11/42/945671142.db2.gz GKLMRSPEULDCLW-NVXWUHKLSA-N 0 3 365.433 3.628 20 30 FHEDHN C=CCN1CCC(Nc2cncc(OCc3cccc(Cl)c3)n2)CC1 ZINC000301594864 945866057 /nfs/dbraw/zinc/86/60/57/945866057.db2.gz ZVKKWPMKSOZNCC-UHFFFAOYSA-N 0 3 358.873 3.771 20 30 FHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1OCCCO ZINC000550105928 945873149 /nfs/dbraw/zinc/87/31/49/945873149.db2.gz YBXGLNXNMHRLBS-GUTXKFCHSA-N 0 3 367.287 3.553 20 30 FHEDHN CCCSCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000125487937 946275433 /nfs/dbraw/zinc/27/54/33/946275433.db2.gz ORYNXUPFLIIHQE-GFCCVEGCSA-N 0 3 358.435 3.792 20 30 FHEDHN CSC1(CN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000897056854 946543395 /nfs/dbraw/zinc/54/33/95/946543395.db2.gz YMKOMMMRTZBQMK-OCAPTIKFSA-N 0 3 369.321 3.985 20 30 FHEDHN CC(C)(C#N)c1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000475324648 946900344 /nfs/dbraw/zinc/90/03/44/946900344.db2.gz GYGMMZVJBZYLOL-UHFFFAOYSA-N 0 3 353.510 3.826 20 30 FHEDHN C#CCOc1ccc(CN[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000113322423 946927497 /nfs/dbraw/zinc/92/74/97/946927497.db2.gz ALPAJBHCODRHSJ-OAHLLOKOSA-N 0 3 355.434 3.575 20 30 FHEDHN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CCCN1C1CCCC1 ZINC000328692556 946991014 /nfs/dbraw/zinc/99/10/14/946991014.db2.gz JEAGQWPRIVMCIZ-GOSISDBHSA-N 0 3 366.469 3.670 20 30 FHEDHN O=C(N[C@H]1CCCC12CCOCC2)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000328833863 947056849 /nfs/dbraw/zinc/05/68/49/947056849.db2.gz RWUVFIYUUIBNKU-UXHICEINSA-N 0 3 371.525 3.504 20 30 FHEDHN N#CC(C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1ccccn1 ZINC000049457432 947075188 /nfs/dbraw/zinc/07/51/88/947075188.db2.gz XQBQVLQFBPJYDE-KRWDZBQOSA-N 0 3 371.375 3.687 20 30 FHEDHN N#CC(CCN1CCSC[C@H]1CCO)(c1ccccc1)c1ccccc1 ZINC000444643724 947086143 /nfs/dbraw/zinc/08/61/43/947086143.db2.gz CRZBPXATKKCMLL-OAQYLSRUSA-N 0 3 366.530 3.686 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)N(C)C)cc1 ZINC000330518331 947188888 /nfs/dbraw/zinc/18/88/88/947188888.db2.gz OPBLIKIBGYMTJE-CEXWTWQISA-N 0 3 361.530 3.695 20 30 FHEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)cc1 ZINC000181835573 947376138 /nfs/dbraw/zinc/37/61/38/947376138.db2.gz VXBABMSBNDWWRM-SCLBCKFNSA-N 0 3 355.438 3.845 20 30 FHEDHN C[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)N1CCCCCC1 ZINC000520467463 947724339 /nfs/dbraw/zinc/72/43/39/947724339.db2.gz SICWZGMOGAGVOT-INIZCTEOSA-N 0 3 364.449 3.949 20 30 FHEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2n2cccn2)c(Br)c1 ZINC000128749996 947730584 /nfs/dbraw/zinc/73/05/84/947730584.db2.gz GIBCQGFCGVTUGK-IAGOWNOFSA-N 0 3 359.271 3.791 20 30 FHEDHN COC(=O)c1ccc(CNCc2ccc(CC#N)cc2)c(C(F)(F)F)c1 ZINC000895076452 948148680 /nfs/dbraw/zinc/14/86/80/948148680.db2.gz PYSOFDJICWPTQG-UHFFFAOYSA-N 0 3 362.351 3.848 20 30 FHEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2Br)[C@@H]1c1ccccc1 ZINC000585717083 948232270 /nfs/dbraw/zinc/23/22/70/948232270.db2.gz MZJLKFFUKREOQO-MOPGFXCFSA-N 0 3 370.294 3.856 20 30 FHEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178542817 948558499 /nfs/dbraw/zinc/55/84/99/948558499.db2.gz WRAZNKSRMWSROJ-KRWDZBQOSA-N 0 3 357.498 3.929 20 30 FHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H]2CSC[C@H]2C)c1C#N ZINC000512164629 948595364 /nfs/dbraw/zinc/59/53/64/948595364.db2.gz OMCCBTXKIJRNBW-ACJLOTCBSA-N 0 3 374.554 3.761 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C2CCC2)CCC1 ZINC000459170988 948719060 /nfs/dbraw/zinc/71/90/60/948719060.db2.gz LZSCFGSYRABXHE-UHFFFAOYSA-N 0 3 368.525 3.602 20 30 FHEDHN Cc1ccc(C)c(OC[C@H](O)CNC2(c3cccc(C#N)c3)CC2)c1C ZINC000568082073 567862150 /nfs/dbraw/zinc/86/21/50/567862150.db2.gz QTDIZHDOANRCAQ-HXUWFJFHSA-N 0 3 350.462 3.502 20 30 FHEDHN N#CCCSc1ccccc1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000601963048 567888080 /nfs/dbraw/zinc/88/80/80/567888080.db2.gz BSJJKINQMZISCZ-NRFANRHFSA-N 0 3 367.518 3.741 20 30 FHEDHN Cc1cc(F)ccc1N(CC#N)C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000602392200 567974882 /nfs/dbraw/zinc/97/48/82/567974882.db2.gz KXFZBIRJMMYOEY-ZIAGYGMSSA-N 0 3 358.335 3.738 20 30 FHEDHN Cc1cc(F)ccc1N(CC#N)C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000602392198 567974898 /nfs/dbraw/zinc/97/48/98/567974898.db2.gz KXFZBIRJMMYOEY-KGLIPLIRSA-N 0 3 358.335 3.738 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)Nc1cccc(CN2CCSCC2)c1 ZINC000602490387 567986107 /nfs/dbraw/zinc/98/61/07/567986107.db2.gz IESZPMJXKNYSSO-QGZVFWFLSA-N 0 3 359.539 3.746 20 30 FHEDHN C[C@H](CCC#N)CN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000602515210 567986566 /nfs/dbraw/zinc/98/65/66/567986566.db2.gz OOZDYOCMUXOOHR-PBHICJAKSA-N 0 3 367.415 3.898 20 30 FHEDHN Cc1nccn1-c1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1F ZINC000602520712 567987211 /nfs/dbraw/zinc/98/72/11/567987211.db2.gz IXEQDSIWCBVQDL-OAHLLOKOSA-N 0 3 356.445 3.508 20 30 FHEDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602504108 567988514 /nfs/dbraw/zinc/98/85/14/567988514.db2.gz SFADUSHGKQKLQJ-INIZCTEOSA-N 0 3 352.482 3.678 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602585793 567994307 /nfs/dbraw/zinc/99/43/07/567994307.db2.gz UQBYESPWFZIKPP-HUUCEWRRSA-N 0 3 357.351 3.529 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602585791 567994330 /nfs/dbraw/zinc/99/43/30/567994330.db2.gz UQBYESPWFZIKPP-CABCVRRESA-N 0 3 357.351 3.529 20 30 FHEDHN CC[C@H](CC#N)N[C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000602613206 567997770 /nfs/dbraw/zinc/99/77/70/567997770.db2.gz UBQTVHCQNAVMRM-IXDOHACOSA-N 0 3 350.304 3.866 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000602718336 568014842 /nfs/dbraw/zinc/01/48/42/568014842.db2.gz VVSADPJBYAQPAX-NQIIRXRSSA-N 0 3 372.509 3.571 20 30 FHEDHN C[C@H](OC[C@H](O)CNCC#Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000521427685 568018656 /nfs/dbraw/zinc/01/86/56/568018656.db2.gz ONBRWXLZGSMMEX-MGPUTAFESA-N 0 3 361.844 3.559 20 30 FHEDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000568424717 568034411 /nfs/dbraw/zinc/03/44/11/568034411.db2.gz NIRGIIRAUXZVLH-UHFFFAOYSA-N 0 3 367.880 3.948 20 30 FHEDHN N#Cc1ccccc1COc1cccc(CNCCOCC(F)(F)F)c1 ZINC000066904963 568068365 /nfs/dbraw/zinc/06/83/65/568068365.db2.gz MEZFXXOQUDHUPY-UHFFFAOYSA-N 0 3 364.367 3.806 20 30 FHEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000568636746 568103294 /nfs/dbraw/zinc/10/32/94/568103294.db2.gz AXZADQHLSGCRME-FQEVSTJZSA-N 0 3 364.449 3.563 20 30 FHEDHN Cc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000603464514 568105369 /nfs/dbraw/zinc/10/53/69/568105369.db2.gz WAXQEXKKMTXJHY-IFMALSPDSA-N 0 3 350.462 3.638 20 30 FHEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000568742919 568146498 /nfs/dbraw/zinc/14/64/98/568146498.db2.gz ZVPQMNIDZDUAKC-TZIWHRDSSA-N 0 3 368.502 3.505 20 30 FHEDHN C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)C1(c2ccccc2)CCCC1 ZINC000481835350 568147806 /nfs/dbraw/zinc/14/78/06/568147806.db2.gz DHDPVOFDIVOVKL-GOSISDBHSA-N 0 3 361.489 3.665 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCCS(=O)(=O)c1ccccc1 ZINC000481926765 568189067 /nfs/dbraw/zinc/18/90/67/568189067.db2.gz YNHHWUCKTKJVQB-NRFANRHFSA-N 0 3 368.502 3.779 20 30 FHEDHN N#Cc1ccccc1COc1cccc(CN2CC[C@H](n3cccn3)C2)c1 ZINC000569180316 568304997 /nfs/dbraw/zinc/30/49/97/568304997.db2.gz QBPIIAXNRWKHSJ-NRFANRHFSA-N 0 3 358.445 3.781 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(CCc2ccc(F)cc2)C2CC2)CC1 ZINC000604919440 568389983 /nfs/dbraw/zinc/38/99/83/568389983.db2.gz ZJVQPRJNROSEHY-UHFFFAOYSA-N 0 3 359.489 3.583 20 30 FHEDHN N#Cc1ccc(CN2CCC(NCc3nc(C4CC4)cs3)CC2)cc1 ZINC000182023368 568469356 /nfs/dbraw/zinc/46/93/56/568469356.db2.gz ZNWQMIONTHXAKY-UHFFFAOYSA-N 0 3 352.507 3.646 20 30 FHEDHN N#Cc1cccc(COc2cccc(CN3CC[C@H](n4cccn4)C3)c2)c1 ZINC000570375963 568481676 /nfs/dbraw/zinc/48/16/76/568481676.db2.gz OVNNDZDTBKZVEN-NRFANRHFSA-N 0 3 358.445 3.781 20 30 FHEDHN COc1ccc([C@H]2CCCN2CCOc2ccccc2C#N)cc1OC ZINC000050068719 568684641 /nfs/dbraw/zinc/68/46/41/568684641.db2.gz SGJUPABRVBZCKO-GOSISDBHSA-N 0 3 352.434 3.791 20 30 FHEDHN N#CC(C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccn1 ZINC000122013347 936364893 /nfs/dbraw/zinc/36/48/93/936364893.db2.gz LQEFGDCMOOKQJE-GOSISDBHSA-N 0 3 365.396 3.819 20 30 FHEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc(-c4cccnc4)c3)C2)nc1 ZINC000430174500 927525667 /nfs/dbraw/zinc/52/56/67/927525667.db2.gz WFPWXLHSFBAEQK-NRFANRHFSA-N 0 3 356.429 3.669 20 30 FHEDHN CCCCOc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000430180901 927601397 /nfs/dbraw/zinc/60/13/97/927601397.db2.gz SPYCRPUEFOOXIO-HXUWFJFHSA-N 0 3 351.450 3.785 20 30 FHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000579816902 927915711 /nfs/dbraw/zinc/91/57/11/927915711.db2.gz NNBWFSLGSYETRO-IRLDBZIGSA-N 0 3 374.488 3.509 20 30 FHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2C[C@H](C)CCC[C@H]2C)cc1 ZINC000610215468 928190988 /nfs/dbraw/zinc/19/09/88/928190988.db2.gz XWOTXYBGJVLPBY-QZTJIDSGSA-N 0 3 357.498 3.842 20 30 FHEDHN N#Cc1c(NC(=O)CCN2CC[C@@H]2c2ccccc2)sc2c1CCC2 ZINC000471177859 928608962 /nfs/dbraw/zinc/60/89/62/928608962.db2.gz RYLGVMFWSGGHGG-QGZVFWFLSA-N 0 3 351.475 3.884 20 30 FHEDHN C=CCN1CCC(NC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)CC1 ZINC000179807432 929068128 /nfs/dbraw/zinc/06/81/28/929068128.db2.gz ORHKGHBFGIRSRC-QUCCMNQESA-N 0 3 350.547 3.909 20 30 FHEDHN COC(=O)C[C@@H]1CSCCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000471213051 929120968 /nfs/dbraw/zinc/12/09/68/929120968.db2.gz YULJVHVNLHPDKS-LJQANCHMSA-N 0 3 366.486 3.706 20 30 FHEDHN C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(C#N)c1 ZINC000610356383 930109095 /nfs/dbraw/zinc/10/90/95/930109095.db2.gz QNYBMCXJQHACKJ-UTKZUKDTSA-N 0 3 362.477 3.756 20 30 FHEDHN C[C@@H]1CN(Cc2ccc(CNCc3cc(C#N)cs3)cc2)C[C@@H](C)O1 ZINC000177683573 930109844 /nfs/dbraw/zinc/10/98/44/930109844.db2.gz WIDKZKGMYVQMIC-HZPDHXFCSA-N 0 3 355.507 3.519 20 30 FHEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000583411122 937418999 /nfs/dbraw/zinc/41/89/99/937418999.db2.gz VZZCTEAJVSGQOG-WMZOPIPTSA-N 0 3 372.431 3.532 20 30 FHEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000583411120 937419130 /nfs/dbraw/zinc/41/91/30/937419130.db2.gz VZZCTEAJVSGQOG-FUHWJXTLSA-N 0 3 372.431 3.532 20 30 FHEDHN CCOc1ccc(N(CCC#N)C(=O)CN([C@@H](C)C2CC2)C2CC2)cc1 ZINC000047909228 930668376 /nfs/dbraw/zinc/66/83/76/930668376.db2.gz CZLHZEFSDSIVTP-INIZCTEOSA-N 0 3 355.482 3.595 20 30 FHEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000580548852 930839547 /nfs/dbraw/zinc/83/95/47/930839547.db2.gz OHUQVIQNBRESNH-NVXWUHKLSA-N 0 3 370.522 3.968 20 30 FHEDHN CCN(CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H]1CCOC(C)(C)C1 ZINC000580678753 931005936 /nfs/dbraw/zinc/00/59/36/931005936.db2.gz ORGZGOSHUSBKIU-LJQANCHMSA-N 0 3 371.525 3.830 20 30 FHEDHN COc1cc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc(OC)c1OC ZINC000581161319 931625571 /nfs/dbraw/zinc/62/55/71/931625571.db2.gz UMRLJUGNTHFIKZ-FZKQIMNGSA-N 0 3 352.434 3.922 20 30 FHEDHN CN(CCC#N)c1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000175984722 931707745 /nfs/dbraw/zinc/70/77/45/931707745.db2.gz AAZHDROAOCHTOX-UHFFFAOYSA-N 0 3 352.438 3.970 20 30 FHEDHN CC1(C)CN(c2c(C#N)nnc3ccccc32)CCN1Cc1ccccc1 ZINC000077218157 931836173 /nfs/dbraw/zinc/83/61/73/931836173.db2.gz LALRLSQXAVTRMH-UHFFFAOYSA-N 0 3 357.461 3.602 20 30 FHEDHN Cc1cc(C)n([C@H](C)CC(=O)NCC2(N3CCSCC3)CCCC2)n1 ZINC000328795079 932116795 /nfs/dbraw/zinc/11/67/95/932116795.db2.gz SYFRHDKJBLJRQE-QGZVFWFLSA-N 0 3 364.559 3.769 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000471810097 932998805 /nfs/dbraw/zinc/99/88/05/932998805.db2.gz MYZFZMISPPFJAV-YLJYHZDGSA-N 0 3 359.489 3.802 20 30 FHEDHN C=CCOc1ccccc1CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091949340 933736536 /nfs/dbraw/zinc/73/65/36/933736536.db2.gz XERBRZOFHJSTQL-GOSISDBHSA-N 0 3 356.510 3.722 20 30 FHEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000477872212 933907537 /nfs/dbraw/zinc/90/75/37/933907537.db2.gz GAWMZHVMUYKZPS-SJORKVTESA-N 0 3 350.409 3.939 20 30 FHEDHN COc1cccc([C@H](C/N=C/c2cccc(OC)c2O)N2CCCC2)c1 ZINC000022768849 934364681 /nfs/dbraw/zinc/36/46/81/934364681.db2.gz NNGYQPYHKBKHQU-KWJZBXMYSA-N 0 3 354.450 3.665 20 30 FHEDHN COc1cccc([C@@H](C/N=C/c2cc(OC)ccc2O)N2CCCC2)c1 ZINC000022768839 934364736 /nfs/dbraw/zinc/36/47/36/934364736.db2.gz MDUCZGKLIVJWDR-YRXLECQKSA-N 0 3 354.450 3.665 20 30 FHEDHN N#Cc1cccnc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000247658076 934558096 /nfs/dbraw/zinc/55/80/96/934558096.db2.gz QKRYJUMHCNMAAW-UHFFFAOYSA-N 0 3 360.383 3.684 20 30 FHEDHN CCn1nc(CNCCSCc2ccccc2C#N)c2ccccc21 ZINC000472035398 934863930 /nfs/dbraw/zinc/86/39/30/934863930.db2.gz QDUXEYGPJBQVCL-UHFFFAOYSA-N 0 3 350.491 3.951 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(Cn3cncn3)cc2)s1 ZINC000684676141 934903485 /nfs/dbraw/zinc/90/34/85/934903485.db2.gz VKJDSDYDUYJQMF-OAHLLOKOSA-N 0 3 365.462 3.570 20 30 FHEDHN CC(C)C(=O)N1CCC(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000329032898 934919192 /nfs/dbraw/zinc/91/91/92/934919192.db2.gz XQANZQDBQKYGPX-FXAWDEMLSA-N 0 3 371.525 3.673 20 30 FHEDHN N#Cc1ccc2ncc(CN[C@H](c3ccccc3)C3(CO)CCCCC3)n2c1 ZINC000516631707 945087167 /nfs/dbraw/zinc/08/71/67/945087167.db2.gz SPHJODLHDBWORE-JOCHJYFZSA-N 0 3 374.488 3.980 20 30 FHEDHN CC(C)[C@@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000507272122 945097835 /nfs/dbraw/zinc/09/78/35/945097835.db2.gz JXJITDFHDWSUEW-RTBURBONSA-N 0 3 355.869 3.767 20 30 FHEDHN C=CCCn1cc(CN[C@@H](CC)Cc2ccccc2Br)nn1 ZINC000657396618 935551806 /nfs/dbraw/zinc/55/18/06/935551806.db2.gz WRNKSGVDLQDGAP-HNNXBMFYSA-N 0 3 363.303 3.728 20 30 FHEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000582423123 935682492 /nfs/dbraw/zinc/68/24/92/935682492.db2.gz IBGCTFSXKOSYDR-WQVCFCJDSA-N 0 3 353.388 3.636 20 30 FHEDHN CC[C@H](C)N[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000509566041 945119167 /nfs/dbraw/zinc/11/91/67/945119167.db2.gz COLDVFWYLMKFHX-MAUKXSAKSA-N 0 3 366.465 3.569 20 30 FHEDHN CN(C)c1cccc(CNCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000113335446 935816478 /nfs/dbraw/zinc/81/64/78/935816478.db2.gz DGQUJUANRYVGBR-UHFFFAOYSA-N 0 3 359.477 3.820 20 30 FHEDHN CC(C)(C#N)CCCCN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000277768358 935907748 /nfs/dbraw/zinc/90/77/48/935907748.db2.gz QXIGOHIVKKJTMG-UHFFFAOYSA-N 0 3 355.526 3.874 20 30 FHEDHN CCN1CCC[C@H](NC(=O)[C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)C1 ZINC000329189681 938284373 /nfs/dbraw/zinc/28/43/73/938284373.db2.gz RPCYNCRVOSDJRK-VQTJNVASSA-N 0 3 371.525 3.739 20 30 FHEDHN N#CCc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000506012517 945197252 /nfs/dbraw/zinc/19/72/52/945197252.db2.gz OACSKAXIEFTHAY-LJQANCHMSA-N 0 3 369.415 3.849 20 30 FHEDHN C=C(C)[C@@H](NC[C@@H](O)COCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187786175 938779694 /nfs/dbraw/zinc/77/96/94/938779694.db2.gz QTZZJHQOVALAFS-OXQOHEQNSA-N 0 3 365.395 3.888 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000143172844 938949352 /nfs/dbraw/zinc/94/93/52/938949352.db2.gz RPAZIOFSFJLUFG-QFIPXVFZSA-N 0 3 361.489 3.753 20 30 FHEDHN C=CCc1cc(C(=O)N(CCN(C)C)C2CCCCC2)cc(OC)c1OC ZINC000065745953 939021698 /nfs/dbraw/zinc/02/16/98/939021698.db2.gz TVPQNLPVSALUIY-UHFFFAOYSA-N 0 3 374.525 3.769 20 30 FHEDHN C=CCOCCCN[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000658210933 939070681 /nfs/dbraw/zinc/07/06/81/939070681.db2.gz YVTVIOZHMJDBKH-OAQYLSRUSA-N 0 3 373.518 3.670 20 30 FHEDHN COCCCOc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647378277 939078488 /nfs/dbraw/zinc/07/84/88/939078488.db2.gz KYPYRCDEGUJRDZ-INIZCTEOSA-N 0 3 356.447 3.926 20 30 FHEDHN C#CCCOc1ccc(CN[C@@H](CC(C)C)C(=O)Nc2nccs2)cc1 ZINC000179436712 939160054 /nfs/dbraw/zinc/16/00/54/939160054.db2.gz NDGGNKOCXZHNQQ-SFHVURJKSA-N 0 3 371.506 3.688 20 30 FHEDHN CN1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000179473728 939171198 /nfs/dbraw/zinc/17/11/98/939171198.db2.gz MHBPOHATSNUEMQ-MSOLQXFVSA-N 0 3 354.841 3.779 20 30 FHEDHN C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000425784247 945240457 /nfs/dbraw/zinc/24/04/57/945240457.db2.gz JTAABRMFHWWOHZ-FIKGOQFSSA-N 0 3 364.493 3.952 20 30 FHEDHN C=CCC1(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCC1 ZINC000664784803 945243632 /nfs/dbraw/zinc/24/36/32/945243632.db2.gz LCQKAORWYWTBDK-UHFFFAOYSA-N 0 3 373.463 3.980 20 30 FHEDHN Cc1ccc2oc(C(=O)C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2n1 ZINC000179617179 939896737 /nfs/dbraw/zinc/89/67/37/939896737.db2.gz YNKDZZCESHQFSS-LLVKDONJSA-N 0 3 371.755 3.890 20 30 FHEDHN C[C@]1(c2ccccc2)C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000892489871 940025585 /nfs/dbraw/zinc/02/55/85/940025585.db2.gz NGKZFJJFOUEYCB-AUSJPIAWSA-N 0 3 352.821 3.965 20 30 FHEDHN C[C@]1(C#N)CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000612372536 940029295 /nfs/dbraw/zinc/02/92/95/940029295.db2.gz RBPDNXHZGARCBW-TZIWHRDSSA-N 0 3 354.498 3.549 20 30 FHEDHN CCCCc1nc(C)c(CC(=O)C(C#N)C(=O)Nc2ccccc2)s1 ZINC000892494187 940053341 /nfs/dbraw/zinc/05/33/41/940053341.db2.gz BJGYWZMGPGFFSG-OAHLLOKOSA-N 0 3 355.463 3.684 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cc(F)ncc1C ZINC000892494462 940055141 /nfs/dbraw/zinc/05/51/41/940055141.db2.gz FCFMNHGQNKUMSO-MRXNPFEDSA-N 0 3 353.397 3.615 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C[C@H]1CC(C)(C)CO1 ZINC000892496460 940059701 /nfs/dbraw/zinc/05/97/01/940059701.db2.gz YSUUFMQLDLJGCF-IRXDYDNUSA-N 0 3 356.466 3.664 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CC[C@@H]1CCc2ccccc21 ZINC000892496321 940062490 /nfs/dbraw/zinc/06/24/90/940062490.db2.gz LHQGQFRXNQXGDD-FUHWJXTLSA-N 0 3 362.429 3.853 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000892496292 940063804 /nfs/dbraw/zinc/06/38/04/940063804.db2.gz XSHDUQIJTPYCJX-ROUUACIJSA-N 0 3 368.477 3.951 20 30 FHEDHN Cc1ccc(CCCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930421 940078871 /nfs/dbraw/zinc/07/88/71/940078871.db2.gz LVKRUVPLLKTJFG-UHFFFAOYSA-N 0 3 363.505 3.780 20 30 FHEDHN Cc1ccc2cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)[nH]c2c1 ZINC000065930068 940079321 /nfs/dbraw/zinc/07/93/21/940079321.db2.gz MVVBNQVHCATEMW-UHFFFAOYSA-N 0 3 360.461 3.552 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc2c1CCCC2 ZINC000065930856 940079848 /nfs/dbraw/zinc/07/98/48/940079848.db2.gz USTOOISRYDLLQI-UHFFFAOYSA-N 0 3 367.518 3.703 20 30 FHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892497919 940085217 /nfs/dbraw/zinc/08/52/17/940085217.db2.gz AIIDOXMFVAPWEF-CTEVKTCYSA-N 0 3 366.845 3.801 20 30 FHEDHN N#CC(C(=O)C[C@H]1CCC2(CCC2)O1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892498488 940087908 /nfs/dbraw/zinc/08/79/08/940087908.db2.gz JWVLIYLBLYPMDV-OLZOCXBDSA-N 0 3 364.804 3.618 20 30 FHEDHN N#CC(C(=O)C[C@H]1CCC2(CCC2)O1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892498487 940088010 /nfs/dbraw/zinc/08/80/10/940088010.db2.gz JWVLIYLBLYPMDV-CHWSQXEVSA-N 0 3 364.804 3.618 20 30 FHEDHN N#C[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1cccc(Cl)c1Cl ZINC000612652620 940203097 /nfs/dbraw/zinc/20/30/97/940203097.db2.gz XJMDTJYQMKZWRK-GOEBONIOSA-N 0 3 352.265 3.549 20 30 FHEDHN COc1cc(NC(=O)C(C#N)c2nc3ccccc3s2)cc(OC)c1 ZINC000160148672 940336069 /nfs/dbraw/zinc/33/60/69/940336069.db2.gz JICFFCLPTZUESZ-AWEZNQCLSA-N 0 3 353.403 3.559 20 30 FHEDHN C(#CCN1CCC[C@H](c2ccccn2)C1)CN1CCC[C@H](c2ccccn2)C1 ZINC000660625909 945323970 /nfs/dbraw/zinc/32/39/70/945323970.db2.gz LKVJGKXUHGYNCQ-VXKWHMMOSA-N 0 3 374.532 3.539 20 30 FHEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000582615434 940759970 /nfs/dbraw/zinc/75/99/70/940759970.db2.gz WCSSGBUUWISLJG-UHFFFAOYSA-N 0 3 374.410 3.680 20 30 FHEDHN CCOc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000180176153 940762717 /nfs/dbraw/zinc/76/27/17/940762717.db2.gz NOLVEMQRSWXLSU-UHFFFAOYSA-N 0 3 364.424 3.786 20 30 FHEDHN CC[C@H](O)CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000180205685 940818740 /nfs/dbraw/zinc/81/87/40/940818740.db2.gz PLWXYKZICIXVIC-QFIPXVFZSA-N 0 3 374.488 3.732 20 30 FHEDHN CC[C@@H](c1ccncc1)N(C)CC#CCN(C)[C@@H](CC)c1ccncc1 ZINC000472565992 940832976 /nfs/dbraw/zinc/83/29/76/940832976.db2.gz CNIOMZXABPAWIM-VXKWHMMOSA-N 0 3 350.510 3.946 20 30 FHEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000170949109 940927810 /nfs/dbraw/zinc/92/78/10/940927810.db2.gz IQLYGDYJPOCIGP-CVEARBPZSA-N 0 3 353.293 3.864 20 30 FHEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000170949110 940927824 /nfs/dbraw/zinc/92/78/24/940927824.db2.gz IQLYGDYJPOCIGP-JKSUJKDBSA-N 0 3 353.293 3.864 20 30 FHEDHN N#CCSc1cccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000175948440 940957143 /nfs/dbraw/zinc/95/71/43/940957143.db2.gz WUBZEZKGMGZUPT-IBGZPJMESA-N 0 3 365.502 3.697 20 30 FHEDHN CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186307808 940980030 /nfs/dbraw/zinc/98/00/30/940980030.db2.gz MBCAIYUDSRZLBB-QFIPXVFZSA-N 0 3 373.500 3.978 20 30 FHEDHN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000330128533 945367673 /nfs/dbraw/zinc/36/76/73/945367673.db2.gz NRQWLZUXHQIHSQ-SJLPKXTDSA-N 0 3 356.445 3.795 20 30 FHEDHN N#Cc1c(Cl)nc2cccc(F)c2c1-n1nc(CN)c2ccccc21 ZINC001167697796 941022324 /nfs/dbraw/zinc/02/23/24/941022324.db2.gz MNXNAWYTMKDRRH-UHFFFAOYSA-N 0 3 351.772 3.697 20 30 FHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(CC1CC1)CC1CC1 ZINC000115562677 941137811 /nfs/dbraw/zinc/13/78/11/941137811.db2.gz CKJHRKAVZNMZST-OAHLLOKOSA-N 0 3 357.523 3.999 20 30 FHEDHN C=CCCCCCCNC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000377005507 941488552 /nfs/dbraw/zinc/48/85/52/941488552.db2.gz DNUQNYFBIJHCOC-UHFFFAOYSA-N 0 3 372.557 3.866 20 30 FHEDHN C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@H](C)CN1 ZINC000415239998 941695005 /nfs/dbraw/zinc/69/50/05/941695005.db2.gz PIFPMCFOBRKWNB-ZIAGYGMSSA-N 0 3 368.412 3.704 20 30 FHEDHN N#CCOc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000729267090 941705435 /nfs/dbraw/zinc/70/54/35/941705435.db2.gz JCVZYGSKHSPCCC-IBGZPJMESA-N 0 3 350.418 3.697 20 30 FHEDHN COc1ccccc1O[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000513380473 941877676 /nfs/dbraw/zinc/87/76/76/941877676.db2.gz IFOHTONDGRGAPQ-HXUWFJFHSA-N 0 3 366.461 3.879 20 30 FHEDHN C[C@H](N[C@@H](C)c1ccc2n[nH]cc2c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000513416900 941913257 /nfs/dbraw/zinc/91/32/57/941913257.db2.gz RLHSFXNKMDTGIG-AQZMIJIOSA-N 0 3 367.497 3.533 20 30 FHEDHN C[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)CN1 ZINC000415803533 942060418 /nfs/dbraw/zinc/06/04/18/942060418.db2.gz JSTYSYGNIRTCBK-CABCVRRESA-N 0 3 366.490 3.924 20 30 FHEDHN CN(CCNC(=O)N[C@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000431855301 942093534 /nfs/dbraw/zinc/09/35/34/942093534.db2.gz AREWFIGPNQTAAU-OAQYLSRUSA-N 0 3 364.493 3.853 20 30 FHEDHN CSc1ccc([C@H](C)N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000501019904 942265721 /nfs/dbraw/zinc/26/57/21/942265721.db2.gz JYTSSUXQEGHPLE-LIRRHRJNSA-N 0 3 351.475 3.736 20 30 FHEDHN Cc1ccc(C)c(OC[C@@H](O)CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502530318 942504102 /nfs/dbraw/zinc/50/41/02/942504102.db2.gz QCKRTFXIWGKTCD-QFIPXVFZSA-N 0 3 362.473 3.704 20 30 FHEDHN COc1ccc(NC(=O)CCN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502516733 942509745 /nfs/dbraw/zinc/50/97/45/942509745.db2.gz NZWIYCPAFINSDS-UHFFFAOYSA-N 0 3 361.445 3.685 20 30 FHEDHN CCn1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000048238900 942644305 /nfs/dbraw/zinc/64/43/05/942644305.db2.gz XQVRIHGDZGLECP-UHFFFAOYSA-N 0 3 374.488 3.737 20 30 FHEDHN C=CCN(C(=O)N[C@@H](C)c1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363821189 942753553 /nfs/dbraw/zinc/75/35/53/942753553.db2.gz LTXDIMRUTPGNRF-GHTZIAJQSA-N 0 3 364.493 3.615 20 30 FHEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2Nc2cccc(CN3CCSCC3)c2)O1 ZINC000378472157 942806860 /nfs/dbraw/zinc/80/68/60/942806860.db2.gz GKZNYDVLAYSCDS-CGXNFDGLSA-N 0 3 371.550 3.887 20 30 FHEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2Nc2cccc(CN3CCSCC3)c2)O1 ZINC000378472159 942807775 /nfs/dbraw/zinc/80/77/75/942807775.db2.gz GKZNYDVLAYSCDS-NCYKPQTJSA-N 0 3 371.550 3.887 20 30 FHEDHN N#Cc1ccc(NC(=O)CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000378528360 942865398 /nfs/dbraw/zinc/86/53/98/942865398.db2.gz SUAYQCIOXUPHNU-JXFKEZNVSA-N 0 3 369.852 3.518 20 30 FHEDHN C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000421927607 942883063 /nfs/dbraw/zinc/88/30/63/942883063.db2.gz RZNUJUFDCOUMOP-NZSAHSFTSA-N 0 3 370.493 3.728 20 30 FHEDHN C[C@]1(CCc2ccccc2)CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000434907797 943044669 /nfs/dbraw/zinc/04/46/69/943044669.db2.gz UDEKBHWOTNJYNJ-QHCPKHFHSA-N 0 3 361.489 3.519 20 30 FHEDHN CC(C)(CNC(=O)C1(c2cccc(C#N)c2)CC1)N1CCc2ccccc2C1 ZINC000435006330 943096536 /nfs/dbraw/zinc/09/65/36/943096536.db2.gz YFSPREYZZAFPGS-UHFFFAOYSA-N 0 3 373.500 3.543 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2cc(CC)nc3onc(CCC)c32)CC1 ZINC000503310085 943110422 /nfs/dbraw/zinc/11/04/22/943110422.db2.gz IWFJYFQYEWEAIV-UHFFFAOYSA-N 0 3 370.497 3.508 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2Oc2cccc(C)c2)CC1 ZINC000435184439 943235303 /nfs/dbraw/zinc/23/53/03/943235303.db2.gz SECOUDYIULFAIG-SFTDATJTSA-N 0 3 371.525 3.635 20 30 FHEDHN N#CCCC[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000431914275 943267626 /nfs/dbraw/zinc/26/76/26/943267626.db2.gz QDWIKNIYKMDPIF-PMACEKPBSA-N 0 3 354.498 3.738 20 30 FHEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NCc1nc(C#N)cs1 ZINC000514975093 943427834 /nfs/dbraw/zinc/42/78/34/943427834.db2.gz BCJUIBCHUBKLAB-SFHVURJKSA-N 0 3 354.523 3.577 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000435502341 943458604 /nfs/dbraw/zinc/45/86/04/943458604.db2.gz QTYUSUFHIPZLQC-MOPGFXCFSA-N 0 3 365.562 3.652 20 30 FHEDHN N#CC(C(=O)c1cnc(C2CC2)nc1)c1nc2ccccc2n1C(F)F ZINC000515038563 943466450 /nfs/dbraw/zinc/46/64/50/943466450.db2.gz OIYBGRUYCRDENF-LBPRGKRZSA-N 0 3 353.332 3.589 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000435675445 943554878 /nfs/dbraw/zinc/55/48/78/943554878.db2.gz VWQIQDKGIWRILQ-BDTNDASRSA-N 0 3 364.489 3.615 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435742694 943592879 /nfs/dbraw/zinc/59/28/79/943592879.db2.gz WRNNEIOHKBEUFV-YOEHRIQHSA-N 0 3 359.451 3.789 20 30 FHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000504521566 943654141 /nfs/dbraw/zinc/65/41/41/943654141.db2.gz MWQBZDCFVNLFKY-GOSISDBHSA-N 0 3 356.510 3.539 20 30 FHEDHN N#Cc1cccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000504541808 943666141 /nfs/dbraw/zinc/66/61/41/943666141.db2.gz KNGNYDQGSSZOPQ-SFHVURJKSA-N 0 3 355.388 3.654 20 30 FHEDHN CCCOc1ccc(-c2csc(NC(=O)[C@@H](N)CCCC#N)n2)cc1 ZINC000424073414 943709528 /nfs/dbraw/zinc/70/95/28/943709528.db2.gz FNEADQNULIREHE-HNNXBMFYSA-N 0 3 358.467 3.559 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000424078031 943712257 /nfs/dbraw/zinc/71/22/57/943712257.db2.gz OZQFDHXZPHWFNV-NSHDSACASA-N 0 3 353.266 3.684 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000424111999 943736780 /nfs/dbraw/zinc/73/67/80/943736780.db2.gz HWIYDYSRUPZKFX-HZPDHXFCSA-N 0 3 353.388 3.780 20 30 FHEDHN CC(C)Oc1ccc(-c2csc(NC(=O)[C@@H](N)CCCC#N)n2)cc1 ZINC000424112220 943737455 /nfs/dbraw/zinc/73/74/55/943737455.db2.gz INJQTHZNQYEZQZ-HNNXBMFYSA-N 0 3 358.467 3.557 20 30 FHEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000424114424 943738380 /nfs/dbraw/zinc/73/83/80/943738380.db2.gz RCICTPRGRNOWHP-QRWLVFNGSA-N 0 3 369.440 3.603 20 30 FHEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000424114422 943738519 /nfs/dbraw/zinc/73/85/19/943738519.db2.gz RCICTPRGRNOWHP-MGPUTAFESA-N 0 3 369.440 3.603 20 30 FHEDHN COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424117034 943740418 /nfs/dbraw/zinc/74/04/18/943740418.db2.gz CFGQZQLJZWXYAD-HNAYVOBHSA-N 0 3 351.450 3.561 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000424140449 943748426 /nfs/dbraw/zinc/74/84/26/943748426.db2.gz OGLPBFJXRRXBPD-HXUWFJFHSA-N 0 3 363.461 3.566 20 30 FHEDHN COc1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)c2ccccc2Cl)cc1 ZINC000424130585 943756778 /nfs/dbraw/zinc/75/67/78/943756778.db2.gz UAJURJRPNFXLRN-OALUTQOASA-N 0 3 371.868 3.575 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000424178763 943762545 /nfs/dbraw/zinc/76/25/45/943762545.db2.gz XHAAGGFCUVDJGW-OAHLLOKOSA-N 0 3 354.281 3.552 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000437478822 943847097 /nfs/dbraw/zinc/84/70/97/943847097.db2.gz CMVKRAPPSMOZKY-CABCVRRESA-N 0 3 361.452 3.695 20 30 FHEDHN CC1(C)CC[C@@H]2C[C@@H](NCc3cnc4c(C#N)cnn4c3)c3cccc1c32 ZINC000516971268 943872650 /nfs/dbraw/zinc/87/26/50/943872650.db2.gz QWYSRRVHZLSHGH-DNVCBOLYSA-N 0 3 357.461 3.991 20 30 FHEDHN N#Cc1ccc(CN(CCc2ccccc2)[C@H]2CCOC2)c(OC(F)F)c1 ZINC000437541232 943914622 /nfs/dbraw/zinc/91/46/22/943914622.db2.gz XGFYVHRYTFULKK-IBGZPJMESA-N 0 3 372.415 3.993 20 30 FHEDHN C[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000425438382 943936935 /nfs/dbraw/zinc/93/69/35/943936935.db2.gz ANYAUPWTSVWPNY-MSOLQXFVSA-N 0 3 364.493 3.781 20 30 FHEDHN C=CCC1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CCOCC1 ZINC000424626966 944017950 /nfs/dbraw/zinc/01/79/50/944017950.db2.gz NEAKJOLFVGKYIA-FQEVSTJZSA-N 0 3 356.510 3.621 20 30 FHEDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990240 944046253 /nfs/dbraw/zinc/04/62/53/944046253.db2.gz KDHMGQMIOYJFAJ-IKGGRYGDSA-N 0 3 362.477 3.678 20 30 FHEDHN Cc1oc(C#N)cc1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000436138920 944051096 /nfs/dbraw/zinc/05/10/96/944051096.db2.gz YXKHGVCRIAXGFX-HXUWFJFHSA-N 0 3 365.477 3.663 20 30 FHEDHN CCC1(Cc2ccccc2)CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000515649507 944092029 /nfs/dbraw/zinc/09/20/29/944092029.db2.gz BLHJUOBZSXPUTI-UHFFFAOYSA-N 0 3 359.477 3.836 20 30 FHEDHN COc1ccc(CN[C@@H]2C[C@H](CO)c3ccccc32)cc1OCCCC#N ZINC000364272832 944197001 /nfs/dbraw/zinc/19/70/01/944197001.db2.gz SDHSXOAAULBNES-YLJYHZDGSA-N 0 3 366.461 3.688 20 30 FHEDHN Cc1c(CN[C@H]2CCCc3cc(C#N)ccc32)c(=O)n(-c2ccccc2)n1C ZINC000418144146 944197019 /nfs/dbraw/zinc/19/70/19/944197019.db2.gz JRGZODBZKPEEMN-QFIPXVFZSA-N 0 3 372.472 3.523 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2ccccc2Cl)CC1 ZINC000517319149 944207489 /nfs/dbraw/zinc/20/74/89/944207489.db2.gz RYZHJDHKTGNCGT-UHFFFAOYSA-N 0 3 363.933 3.957 20 30 FHEDHN N#Cc1ccc(N2CC[C@@H](N3CCC[C@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000500214971 944277790 /nfs/dbraw/zinc/27/77/90/944277790.db2.gz ACEQCEUIOLGRKJ-IFMALSPDSA-N 0 3 359.473 3.618 20 30 FHEDHN C=C(C)COc1cc(CNCc2ccc(C(=O)OC)cc2)ccc1OC ZINC000515918679 944342842 /nfs/dbraw/zinc/34/28/42/944342842.db2.gz PVNACKGTFRVVAV-UHFFFAOYSA-N 0 3 355.434 3.727 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)Nc1cccc(OCC#N)c1)c1ccsc1 ZINC000048510621 944471056 /nfs/dbraw/zinc/47/10/56/944471056.db2.gz GREBJZZUVNLACD-GOSISDBHSA-N 0 3 372.494 3.855 20 30 FHEDHN C=CCN1CC[C@H](N(CC)[C@H](C)Cc2ccccc2C(F)(F)F)C1=O ZINC000499771268 944577856 /nfs/dbraw/zinc/57/78/56/944577856.db2.gz HXPJIVAOTNHMQB-PBHICJAKSA-N 0 3 354.416 3.745 20 30 FHEDHN COc1ccc(CNCc2ccc3c(c2)CCN3C)cc1OCCCC#N ZINC000364441171 944715292 /nfs/dbraw/zinc/71/52/92/944715292.db2.gz CLQCODJACQZVFG-UHFFFAOYSA-N 0 3 365.477 3.660 20 30 FHEDHN C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000518852232 944865415 /nfs/dbraw/zinc/86/54/15/944865415.db2.gz GPCGSPFWWPQTAB-QZTJIDSGSA-N 0 3 353.514 3.516 20 30 FHEDHN C[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)N(C)Cc1ccccc1 ZINC000426160760 945053461 /nfs/dbraw/zinc/05/34/61/945053461.db2.gz KQOYZWHNUMTHQX-AWEZNQCLSA-N 0 3 356.857 3.854 20 30 FHEDHN CC[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(C)cc1 ZINC000181697918 945371084 /nfs/dbraw/zinc/37/10/84/945371084.db2.gz KGOTVKXQWRKFGC-HXUWFJFHSA-N 0 3 373.460 3.732 20 30 FHEDHN Cc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)c(Br)c1 ZINC000330273603 945438809 /nfs/dbraw/zinc/43/88/09/945438809.db2.gz ZLIINNDGHKPWDX-KNXALSJPSA-N 0 3 367.287 3.891 20 30 FHEDHN Cc1cccc2c1CCN(CC(=O)C(C#N)c1nc3ccccc3s1)C2 ZINC000729480331 945574756 /nfs/dbraw/zinc/57/47/56/945574756.db2.gz USWCEVHTUUYURU-KRWDZBQOSA-N 0 3 361.470 3.839 20 30 FHEDHN C[C@@H](Sc1ccccc1Cl)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125270629 945699141 /nfs/dbraw/zinc/69/91/41/945699141.db2.gz JLNQGMVIVNQRHH-NEPJUHHUSA-N 0 3 359.838 3.563 20 30 FHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000661117876 945749993 /nfs/dbraw/zinc/74/99/93/945749993.db2.gz UTSWCYPCUZHMNK-RDJZCZTQSA-N 0 3 372.538 3.745 20 30 FHEDHN N#CC(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1 ZINC000048813522 945796077 /nfs/dbraw/zinc/79/60/77/945796077.db2.gz USTJWCAZTDYXBX-OAHLLOKOSA-N 0 3 361.792 3.892 20 30 FHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1OCCCO ZINC000550105930 945872502 /nfs/dbraw/zinc/87/25/02/945872502.db2.gz YBXGLNXNMHRLBS-KCQAQPDRSA-N 0 3 367.287 3.553 20 30 FHEDHN CN(C)CCN(Cc1ccccc1F)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475105086 946404233 /nfs/dbraw/zinc/40/42/33/946404233.db2.gz AYZDCEQILFSODJ-LJQANCHMSA-N 0 3 367.468 3.803 20 30 FHEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000441369909 946520454 /nfs/dbraw/zinc/52/04/54/946520454.db2.gz GEGMHDCTILCLNF-PMACEKPBSA-N 0 3 353.510 3.906 20 30 FHEDHN C=CCOC(=O)N1CCC2(CCN(Cc3ccccc3OC)CC2)CC1 ZINC001203425944 946843412 /nfs/dbraw/zinc/84/34/12/946843412.db2.gz UWEQJPPCCREPPS-UHFFFAOYSA-N 0 3 358.482 3.696 20 30 FHEDHN CC[C@@H]1C[C@H](CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCO1 ZINC000475357247 946937005 /nfs/dbraw/zinc/93/70/05/946937005.db2.gz ZHLVLHXHXYQXMK-NSISKUIASA-N 0 3 361.917 3.727 20 30 FHEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2CC(=O)Nc2cccc3nsnc32)C1 ZINC000328735880 947003858 /nfs/dbraw/zinc/00/38/58/947003858.db2.gz KURRKHNVSWSUMI-OQUILHJVSA-N 0 3 374.510 3.541 20 30 FHEDHN O=C(Nc1cc(Cl)ccc1[O-])C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000328770409 947019690 /nfs/dbraw/zinc/01/96/90/947019690.db2.gz RANSFVRWMJSLKV-ZDUSSCGKSA-N 0 3 352.862 3.772 20 30 FHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000165178743 947052859 /nfs/dbraw/zinc/05/28/59/947052859.db2.gz TYDXQUKFAVHPEN-QGZVFWFLSA-N 0 3 368.452 3.525 20 30 FHEDHN Cn1cc([C@@H]2CCCN2CCC(=O)N[C@@H]2CCCc3ccccc32)cn1 ZINC000328936121 947092273 /nfs/dbraw/zinc/09/22/73/947092273.db2.gz JJJFRQVIMORBJW-UXHICEINSA-N 0 3 352.482 3.981 20 30 FHEDHN C[C@@H](NC(=O)c1csc2c1CCCC2)C(=O)NCCN1CCCCC1 ZINC000328974812 947130021 /nfs/dbraw/zinc/13/00/21/947130021.db2.gz BDABNYLAASAPGT-CQSZACIVSA-N 0 3 363.527 3.762 20 30 FHEDHN N#CCCn1cc(CN2CCC[C@H](OCC3CC3)C2)c(-c2ccccc2)n1 ZINC000428377080 947196758 /nfs/dbraw/zinc/19/67/58/947196758.db2.gz WWBXZWOZYCCOGV-NRFANRHFSA-N 0 3 364.493 3.855 20 30 FHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@@H](C)c1sc(C)nc1C ZINC000246321665 947250143 /nfs/dbraw/zinc/25/01/43/947250143.db2.gz IISNEPFMOMXEMA-MAUKXSAKSA-N 0 3 360.523 3.921 20 30 FHEDHN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000249030886 947317462 /nfs/dbraw/zinc/31/74/62/947317462.db2.gz LZWICFFBGYIKAT-CZAAIQMYSA-N 0 3 359.473 3.806 20 30 FHEDHN CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCCN1CCC(C)CC1 ZINC000330980690 947325651 /nfs/dbraw/zinc/32/56/51/947325651.db2.gz NUZQHYBLPBGRRJ-UHFFFAOYSA-N 0 3 364.559 3.841 20 30 FHEDHN C=CCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2Br)CCCC1 ZINC001573329532 947420452 /nfs/dbraw/zinc/42/04/52/947420452.db2.gz KOXWQFXKGAMCHT-UHFFFAOYSA-N 0 3 362.275 3.608 20 30 FHEDHN C=CCC1([NH2+]Cc2ccc(-c3nn[n-]n3)cc2Br)CCCC1 ZINC001573329532 947420459 /nfs/dbraw/zinc/42/04/59/947420459.db2.gz KOXWQFXKGAMCHT-UHFFFAOYSA-N 0 3 362.275 3.608 20 30 FHEDHN C=CCCC[C@@H]([NH2+]C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573335140 947472846 /nfs/dbraw/zinc/47/28/46/947472846.db2.gz MLZYCMZRBHDDMH-WOJBJXKFSA-N 0 3 363.465 3.587 20 30 FHEDHN C=CCCC[C@@H]([NH2+]C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573335140 947472851 /nfs/dbraw/zinc/47/28/51/947472851.db2.gz MLZYCMZRBHDDMH-WOJBJXKFSA-N 0 3 363.465 3.587 20 30 FHEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2n2cccn2)c(Br)c1 ZINC000128750207 947730802 /nfs/dbraw/zinc/73/08/02/947730802.db2.gz GIBCQGFCGVTUGK-SJORKVTESA-N 0 3 359.271 3.791 20 30 FHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CSc2ccncc2)cc1 ZINC000128585377 947871289 /nfs/dbraw/zinc/87/12/89/947871289.db2.gz RFMBCRDUNBOXSN-SFHVURJKSA-N 0 3 367.474 3.864 20 30 FHEDHN C=C(C)COc1cc(CNCc2ccnc(-n3ccnc3)c2)ccc1OC ZINC000057969014 948102281 /nfs/dbraw/zinc/10/22/81/948102281.db2.gz IOHGLTNYOAQARB-UHFFFAOYSA-N 0 3 364.449 3.521 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)Nc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000054008930 948161122 /nfs/dbraw/zinc/16/11/22/948161122.db2.gz FMJBKOPGGNUZLG-FQEVSTJZSA-N 0 3 366.465 3.771 20 30 FHEDHN CC(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)N(C)C ZINC000106916999 948347378 /nfs/dbraw/zinc/34/73/78/948347378.db2.gz PADZFLDXJZBRBR-HXUWFJFHSA-N 0 3 351.450 3.662 20 30 FHEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655632452 948496942 /nfs/dbraw/zinc/49/69/42/948496942.db2.gz MXZDUMIONLOKDB-UHFFFAOYSA-N 0 3 368.529 3.535 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000520698251 948603822 /nfs/dbraw/zinc/60/38/22/948603822.db2.gz JUMUVLYEEJQVAU-UHFFFAOYSA-N 0 3 367.497 3.651 20 30 FHEDHN C=CCN1CCC(NC(=O)NCc2cc(C)cc3c(C)c(C)[nH]c32)CC1 ZINC000520707398 948640855 /nfs/dbraw/zinc/64/08/55/948640855.db2.gz CQUWDNQFIVRSGK-UHFFFAOYSA-N 0 3 354.498 3.543 20 30 FHEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCCC(=O)Nc1ccccc1C#N ZINC000481387141 567882995 /nfs/dbraw/zinc/88/29/95/567882995.db2.gz BCVZVMJELKKDFK-VLIAUNLRSA-N 0 3 371.868 3.906 20 30 FHEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(c2ccc(F)cn2)CC1 ZINC000602186630 567948184 /nfs/dbraw/zinc/94/81/84/567948184.db2.gz BWVNYKFWOQTNBW-SFHVURJKSA-N 0 3 351.425 3.699 20 30 FHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000481459525 567958683 /nfs/dbraw/zinc/95/86/83/567958683.db2.gz MPNKZUOGUAAJNO-RTBURBONSA-N 0 3 370.541 3.846 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(N2CCCCCC2)nc1 ZINC000602515722 567986552 /nfs/dbraw/zinc/98/65/52/567986552.db2.gz CNPBGDRCEAPRIW-SFHVURJKSA-N 0 3 356.514 3.651 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(OCc2ccccn2)cc1 ZINC000602517628 567986752 /nfs/dbraw/zinc/98/67/52/567986752.db2.gz HXMFQTWBHFCKLZ-GOSISDBHSA-N 0 3 365.477 3.849 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(OCc2ccccn2)cc1 ZINC000602517629 567986756 /nfs/dbraw/zinc/98/67/56/567986756.db2.gz HXMFQTWBHFCKLZ-SFHVURJKSA-N 0 3 365.477 3.849 20 30 FHEDHN CC[C@@H](C)C(=O)Nc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602522245 567987386 /nfs/dbraw/zinc/98/73/86/567987386.db2.gz SMMUVMPVRLBEOG-IAGOWNOFSA-N 0 3 357.498 3.860 20 30 FHEDHN CC(C)CC(=O)Nc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602525835 567987760 /nfs/dbraw/zinc/98/77/60/567987760.db2.gz CVOQSDPJDKCCEU-KRWDZBQOSA-N 0 3 357.498 3.860 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(OC2CCCCC2)nc1 ZINC000602528646 567988127 /nfs/dbraw/zinc/98/81/27/567988127.db2.gz OQTSEOGKGVBWCY-QGZVFWFLSA-N 0 3 357.498 3.982 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000602513605 567989518 /nfs/dbraw/zinc/98/95/18/567989518.db2.gz PSGUYCLSCLMPNM-SFHVURJKSA-N 0 3 369.509 3.501 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(OCc2ccccn2)c1 ZINC000602514178 567989672 /nfs/dbraw/zinc/98/96/72/567989672.db2.gz IATUVXBEJYYQMF-SFHVURJKSA-N 0 3 365.477 3.849 20 30 FHEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000481486529 567989916 /nfs/dbraw/zinc/98/99/16/567989916.db2.gz QBAFBFDCHGROHB-XOBRGWDASA-N 0 3 371.868 3.906 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1ccc(Br)cc1 ZINC000602544620 567990096 /nfs/dbraw/zinc/99/00/96/567990096.db2.gz NAPCUPYOGWTODP-CQSZACIVSA-N 0 3 367.287 3.516 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602585794 567994360 /nfs/dbraw/zinc/99/43/60/567994360.db2.gz UQBYESPWFZIKPP-LSDHHAIUSA-N 0 3 357.351 3.529 20 30 FHEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000602571888 567996245 /nfs/dbraw/zinc/99/62/45/567996245.db2.gz WCYAAKXTFMLSRL-DOTOQJQBSA-N 0 3 358.873 3.726 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000481569841 568057562 /nfs/dbraw/zinc/05/75/62/568057562.db2.gz HMOAQAUDQXJXPU-NVXWUHKLSA-N 0 3 353.491 3.638 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000481659609 568082337 /nfs/dbraw/zinc/08/23/37/568082337.db2.gz RIORQIAZXPDSMD-KBXCAEBGSA-N 0 3 352.413 3.654 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000481677963 568085168 /nfs/dbraw/zinc/08/51/68/568085168.db2.gz MRJVJMINTNNPLV-VQTJNVASSA-N 0 3 363.436 3.860 20 30 FHEDHN CC[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCc2ccccc2C1 ZINC000481709101 568090791 /nfs/dbraw/zinc/09/07/91/568090791.db2.gz BVWRHWSVHZIZGW-IBGZPJMESA-N 0 3 366.440 3.656 20 30 FHEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000568742916 568146407 /nfs/dbraw/zinc/14/64/07/568146407.db2.gz ZVPQMNIDZDUAKC-CTNGQTDRSA-N 0 3 368.502 3.505 20 30 FHEDHN C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(=O)N1Cc2ccccc2C1 ZINC000481991007 568215977 /nfs/dbraw/zinc/21/59/77/568215977.db2.gz JZDDALJEVINZET-OPAMFIHVSA-N 0 3 359.473 3.846 20 30 FHEDHN C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000330308177 568222039 /nfs/dbraw/zinc/22/20/39/568222039.db2.gz SPBNQXGRJQXKJK-DNVCBOLYSA-N 0 3 358.442 3.638 20 30 FHEDHN C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000330308177 568222040 /nfs/dbraw/zinc/22/20/40/568222040.db2.gz SPBNQXGRJQXKJK-DNVCBOLYSA-N 0 3 358.442 3.638 20 30 FHEDHN N#Cc1cccc(OC2CCN(CCCc3ccc4c(c3)CCO4)CC2)c1 ZINC000482076780 568254761 /nfs/dbraw/zinc/25/47/61/568254761.db2.gz OVTNRQHWQWWXHM-UHFFFAOYSA-N 0 3 362.473 3.969 20 30 FHEDHN C[C@H]1[C@H](N2CCCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000569000702 568266138 /nfs/dbraw/zinc/26/61/38/568266138.db2.gz MZLQGOUWMJYURA-XHDPSFHLSA-N 0 3 352.251 3.523 20 30 FHEDHN COc1ccc2c(c1)C[C@H](C)N(CCC(=O)Nc1ccc(C#N)cc1)[C@@H]2C ZINC000541948048 568272755 /nfs/dbraw/zinc/27/27/55/568272755.db2.gz DUGDLLKOEBUFOF-JKSUJKDBSA-N 0 3 363.461 3.903 20 30 FHEDHN N#CC(=C([O-])c1cccc(-c2cscn2)c1)c1nnc2n1CCCCC2 ZINC000525796164 568286917 /nfs/dbraw/zinc/28/69/17/568286917.db2.gz PJKKDBSQNUNMNX-HNNXBMFYSA-N 0 3 363.446 3.618 20 30 FHEDHN N#CC(C(=O)c1cccc(-c2cscn2)c1)c1nnc2n1CCCCC2 ZINC000525796164 568286919 /nfs/dbraw/zinc/28/69/19/568286919.db2.gz PJKKDBSQNUNMNX-HNNXBMFYSA-N 0 3 363.446 3.618 20 30 FHEDHN CC(C)Oc1cccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000569888206 568433837 /nfs/dbraw/zinc/43/38/37/568433837.db2.gz GNOSPMTXSZXGON-UHFFFAOYSA-N 0 3 351.494 3.909 20 30 FHEDHN CCc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000161920854 936322493 /nfs/dbraw/zinc/32/24/93/936322493.db2.gz ZCTJMPLJXCIKBE-UHFFFAOYSA-N 0 3 350.466 3.716 20 30 FHEDHN Cc1cc(F)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000161928394 936323497 /nfs/dbraw/zinc/32/34/97/936323497.db2.gz JLSLQSUZCFHNSG-UHFFFAOYSA-N 0 3 354.429 3.602 20 30 FHEDHN CSc1ccccc1[C@@H](C)NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000548786416 937086438 /nfs/dbraw/zinc/08/64/38/937086438.db2.gz NEHDYPZPOYFUOI-NVXWUHKLSA-N 0 3 356.491 3.565 20 30 FHEDHN CC1(C)CCc2cc(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc2O1 ZINC000430179566 927582385 /nfs/dbraw/zinc/58/23/85/927582385.db2.gz PDKIUFIHXZAAKH-LJQANCHMSA-N 0 3 363.461 3.710 20 30 FHEDHN CN(CC(C)(C)C#N)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000458408557 937186339 /nfs/dbraw/zinc/18/63/39/937186339.db2.gz LCMOEDNIROFLCO-IBGZPJMESA-N 0 3 370.541 3.651 20 30 FHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000120256642 927910771 /nfs/dbraw/zinc/91/07/71/927910771.db2.gz APCAGOOVTCOZAK-AWEZNQCLSA-N 0 3 365.389 3.910 20 30 FHEDHN CCOc1ccc(O)c(/C=N\C2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000254912270 928148501 /nfs/dbraw/zinc/14/85/01/928148501.db2.gz LIGJUSPNUBKSSK-AJIWAEEYSA-N 0 3 353.466 3.830 20 30 FHEDHN C=CCOc1cccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000179787924 929025188 /nfs/dbraw/zinc/02/51/88/929025188.db2.gz ITMZJBJYZUDBLY-GOSISDBHSA-N 0 3 356.510 3.722 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C)c2Br)CC1 ZINC000120714058 929462156 /nfs/dbraw/zinc/46/21/56/929462156.db2.gz MWHKXPOUOCNJSB-UHFFFAOYSA-N 0 3 366.303 3.920 20 30 FHEDHN C[C@@H](N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000045769627 929546475 /nfs/dbraw/zinc/54/64/75/929546475.db2.gz SUICIWPWRUPPAL-CQSZACIVSA-N 0 3 354.416 3.540 20 30 FHEDHN Cc1cc(F)ccc1N1CCC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1=O ZINC000610346472 930056869 /nfs/dbraw/zinc/05/68/69/930056869.db2.gz VKQXFDKWTONACB-KXBFYZLASA-N 0 3 351.425 3.852 20 30 FHEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000156104438 937396726 /nfs/dbraw/zinc/39/67/26/937396726.db2.gz BROFTXBYGUMPNS-FQEVSTJZSA-N 0 3 374.444 3.521 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000074877127 937403821 /nfs/dbraw/zinc/40/38/21/937403821.db2.gz NBQZAUIJYCERDI-LEWJYISDSA-N 0 3 371.525 3.555 20 30 FHEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CC[C@H](C)c2ccccc2)cc1 ZINC000160429694 930368342 /nfs/dbraw/zinc/36/83/42/930368342.db2.gz KRZQNQDVTUWRJB-OXJNMPFZSA-N 0 3 364.445 3.604 20 30 FHEDHN CC(C)n1cc([C@H](C)NCCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000580287058 930440148 /nfs/dbraw/zinc/44/01/48/930440148.db2.gz ZDNDMTYLASSZFD-ZDUSSCGKSA-N 0 3 359.861 3.668 20 30 FHEDHN CN(C)Cc1cccc(C(=O)N[C@@H](C#N)c2ccccc2Br)c1 ZINC000610429031 930516712 /nfs/dbraw/zinc/51/67/12/930516712.db2.gz KOJIBGCVFUPLQX-KRWDZBQOSA-N 0 3 372.266 3.505 20 30 FHEDHN Cc1cc(CCCC(=O)C(C#N)C(=O)NCc2ccccc2)c(C)s1 ZINC000175942089 930532895 /nfs/dbraw/zinc/53/28/95/930532895.db2.gz WTNWEPPZGOBPTQ-GOSISDBHSA-N 0 3 354.475 3.713 20 30 FHEDHN CC1CCC(N2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)CC1 ZINC000579752374 930938681 /nfs/dbraw/zinc/93/86/81/930938681.db2.gz QJXSJIDLEJXVRO-UHFFFAOYSA-N 0 3 371.529 3.843 20 30 FHEDHN C[C@@H]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000610476897 931557041 /nfs/dbraw/zinc/55/70/41/931557041.db2.gz RIQLSHZQUMXVLU-QGCDCVKKSA-N 0 3 368.452 3.715 20 30 FHEDHN N#Cc1ccc([C@H](N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C(N)=O)cc1 ZINC000581300579 931800721 /nfs/dbraw/zinc/80/07/21/931800721.db2.gz VPDBAZVVHDIBQH-WDSOQIARSA-N 0 3 353.853 3.664 20 30 FHEDHN CC[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000581461421 932094500 /nfs/dbraw/zinc/09/45/00/932094500.db2.gz ONDRBAVZGMKVIU-SFHVURJKSA-N 0 3 350.422 3.567 20 30 FHEDHN Cc1cc(-n2cncn2)ccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430607172 932185364 /nfs/dbraw/zinc/18/53/64/932185364.db2.gz YNCUBNWXRQQMDG-HNNXBMFYSA-N 0 3 365.462 3.820 20 30 FHEDHN NC(=O)[C@@H](NC(CCC(F)(F)F)CCC(F)(F)F)c1ccc(F)cc1 ZINC000656687594 932329195 /nfs/dbraw/zinc/32/91/95/932329195.db2.gz DJSOOMRIRCPGBS-LBPRGKRZSA-N 0 3 374.300 3.995 20 30 FHEDHN NC(=O)[C@H](NC(CCC(F)(F)F)CCC(F)(F)F)c1ccc(F)cc1 ZINC000656687593 932329295 /nfs/dbraw/zinc/32/92/95/932329295.db2.gz DJSOOMRIRCPGBS-GFCCVEGCSA-N 0 3 374.300 3.995 20 30 FHEDHN CC(C)(C#N)C(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001143399165 932767032 /nfs/dbraw/zinc/76/70/32/932767032.db2.gz ISIXEOQSKXYLAQ-OAQYLSRUSA-N 0 3 361.489 3.839 20 30 FHEDHN Cc1ccc(C)c(OC2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000178304141 933098583 /nfs/dbraw/zinc/09/85/83/933098583.db2.gz YUZWSJBJWHCVCN-OAQYLSRUSA-N 0 3 350.462 3.752 20 30 FHEDHN C[C@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(OCC#N)cc1 ZINC000276891132 933880818 /nfs/dbraw/zinc/88/08/18/933880818.db2.gz HSBHACJTCLZROK-JXFKEZNVSA-N 0 3 355.482 3.563 20 30 FHEDHN CC(C)(CCC#N)CN(CCO)Cc1cc(Br)ccc1F ZINC000092737130 934156787 /nfs/dbraw/zinc/15/67/87/934156787.db2.gz FMMSUICMXHNWPK-UHFFFAOYSA-N 0 3 357.267 3.712 20 30 FHEDHN COc1cccc(/C=N/C[C@H](c2ccccc2OC)N2CCCC2)c1O ZINC000022769449 934355846 /nfs/dbraw/zinc/35/58/46/934355846.db2.gz ALFRYKCINRFVMQ-SDLXJUDFSA-N 0 3 354.450 3.665 20 30 FHEDHN CCCN(CCN(C)C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115370988 935076582 /nfs/dbraw/zinc/07/65/82/935076582.db2.gz KOXCJVJSLOMBNX-UHFFFAOYSA-N 0 3 365.477 3.551 20 30 FHEDHN C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)CN1Cc1ccccc1 ZINC000548639835 935097457 /nfs/dbraw/zinc/09/74/57/935097457.db2.gz UHUQQTVARHAMKC-KBXCAEBGSA-N 0 3 353.853 3.604 20 30 FHEDHN C=CCCn1cc(CN[C@@H](C)CCc2ccc(Br)cc2)nn1 ZINC000657326390 935224211 /nfs/dbraw/zinc/22/42/11/935224211.db2.gz MNIQRBWDDDOONH-AWEZNQCLSA-N 0 3 363.303 3.728 20 30 FHEDHN N#Cc1ccc2ncc(CN[C@@H](c3ccccc3)C3(CO)CCCCC3)n2c1 ZINC000516631708 945087469 /nfs/dbraw/zinc/08/74/69/945087469.db2.gz SPHJODLHDBWORE-QFIPXVFZSA-N 0 3 374.488 3.980 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)CCC=C2 ZINC000551516805 935301758 /nfs/dbraw/zinc/30/17/58/935301758.db2.gz YEMJKBADSCYQHH-UHFFFAOYSA-N 0 3 359.473 3.722 20 30 FHEDHN Cc1ccc(Cl)c(OC[C@@H](O)CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000551708147 935331696 /nfs/dbraw/zinc/33/16/96/935331696.db2.gz JQIAZTOIOWLPMC-KRWDZBQOSA-N 0 3 356.853 3.539 20 30 FHEDHN CN(C)C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000478097134 935569226 /nfs/dbraw/zinc/56/92/26/935569226.db2.gz VYWYEIMCFTUHOR-QGZVFWFLSA-N 0 3 360.820 3.775 20 30 FHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc([N+](=O)[O-])cc3F)C2)c(F)c1 ZINC000478280954 935605458 /nfs/dbraw/zinc/60/54/58/935605458.db2.gz STFPNPPUXQBBME-OAHLLOKOSA-N 0 3 372.375 3.503 20 30 FHEDHN C#CCN1CCC(C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)CC1 ZINC000153061654 935934077 /nfs/dbraw/zinc/93/40/77/935934077.db2.gz TUIWUIRHOSPBBN-SFHVURJKSA-N 0 3 366.427 3.864 20 30 FHEDHN C=C(C)COc1cc(CNCc2ccc(CNC(C)=O)cc2)ccc1OC ZINC000657542543 935988409 /nfs/dbraw/zinc/98/84/09/935988409.db2.gz ZIPDZPIFRTUNPD-UHFFFAOYSA-N 0 3 368.477 3.576 20 30 FHEDHN N#CC(C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 ZINC000102122284 936083415 /nfs/dbraw/zinc/08/34/15/936083415.db2.gz KYQNJWVXVATZSS-CYBMUJFWSA-N 0 3 353.249 3.694 20 30 FHEDHN Cn1cc(CN2CC[C@H](Oc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000583562397 938305538 /nfs/dbraw/zinc/30/55/38/938305538.db2.gz RCSRWIIKRXTBBM-NRFANRHFSA-N 0 3 358.445 3.612 20 30 FHEDHN CCC(CC)c1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)on1 ZINC000151145915 938414190 /nfs/dbraw/zinc/41/41/90/938414190.db2.gz GSPUWLIREXZBAZ-UHFFFAOYSA-N 0 3 368.481 3.654 20 30 FHEDHN CCN(CC)[C@H](CNc1nc2cc(Cl)ccn2c1C#N)c1ccco1 ZINC000583951692 938498073 /nfs/dbraw/zinc/49/80/73/938498073.db2.gz LLRYDUKHNSSZTC-OAHLLOKOSA-N 0 3 357.845 3.947 20 30 FHEDHN C(=NOCCCOCCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000255585072 938578038 /nfs/dbraw/zinc/57/80/38/938578038.db2.gz AGBQWAJXMKSAGL-UHFFFAOYSA-N 0 3 368.477 3.523 20 30 FHEDHN Cc1csc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000584151199 938618891 /nfs/dbraw/zinc/61/88/91/938618891.db2.gz JJIWMNSFLXQJIM-SUMWQHHRSA-N 0 3 354.479 3.570 20 30 FHEDHN CCOc1ccc(O)c(/C=N\C[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000588592089 938673624 /nfs/dbraw/zinc/67/36/24/938673624.db2.gz IFLXUNYJPCURDI-VLDJDNEVSA-N 0 3 368.477 3.501 20 30 FHEDHN C=C(C)[C@H](NC[C@H](O)COCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187786119 938779383 /nfs/dbraw/zinc/77/93/83/938779383.db2.gz QTZZJHQOVALAFS-JXFKEZNVSA-N 0 3 365.395 3.888 20 30 FHEDHN N#CCc1ccc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000544070051 938992017 /nfs/dbraw/zinc/99/20/17/938992017.db2.gz DEXFIDHCUKKJMQ-OAQYLSRUSA-N 0 3 362.477 3.929 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C=CSCc1ccco1 ZINC000255658228 939064940 /nfs/dbraw/zinc/06/49/40/939064940.db2.gz USXBDYOMPZULAC-KLQCNHIUSA-N 0 3 370.430 3.773 20 30 FHEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1sc(C2CCC2)nc1C ZINC000892465868 939215254 /nfs/dbraw/zinc/21/52/54/939215254.db2.gz VGAQVJHOQBAYQW-OAHLLOKOSA-N 0 3 361.511 3.667 20 30 FHEDHN Cc1cc(C(C#N)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc(C)n1 ZINC000437374673 945283258 /nfs/dbraw/zinc/28/32/58/945283258.db2.gz ODKVRBXUSZNBKQ-CYBMUJFWSA-N 0 3 364.283 3.511 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000507505484 945285787 /nfs/dbraw/zinc/28/57/87/945285787.db2.gz BJZBFGLRYCKLFB-WMLDXEAASA-N 0 3 353.853 3.777 20 30 FHEDHN C[C@@]1(C#N)CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000612372534 940029410 /nfs/dbraw/zinc/02/94/10/940029410.db2.gz RBPDNXHZGARCBW-FPOVZHCZSA-N 0 3 354.498 3.549 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1c[nH]c2ccccc12 ZINC000065931265 940079205 /nfs/dbraw/zinc/07/92/05/940079205.db2.gz JYCWYLVFDPYWNU-UHFFFAOYSA-N 0 3 374.488 3.563 20 30 FHEDHN COc1csc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)c1 ZINC000177599825 940303094 /nfs/dbraw/zinc/30/30/94/940303094.db2.gz HKHYVDASAHEXJP-OAHLLOKOSA-N 0 3 350.399 3.871 20 30 FHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccn(C2CCCC2)n1 ZINC000177687070 940357812 /nfs/dbraw/zinc/35/78/12/940357812.db2.gz VLSHPFGRIXYXFJ-HNNXBMFYSA-N 0 3 356.813 3.613 20 30 FHEDHN N#Cc1ccc(OC2CCN(CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000580502354 940477163 /nfs/dbraw/zinc/47/71/63/940477163.db2.gz QCUKHUBPYUJZSD-UHFFFAOYSA-N 0 3 374.444 3.694 20 30 FHEDHN C=CCN(CC=C)C(=O)CN1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000066436811 940486212 /nfs/dbraw/zinc/48/62/12/940486212.db2.gz LDCSITFXZSNVTN-UHFFFAOYSA-N 0 3 367.493 3.557 20 30 FHEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)CCN1Cc1ccccc1 ZINC000581334498 940499450 /nfs/dbraw/zinc/49/94/50/940499450.db2.gz YTBPIZVINQEVFC-KBXCAEBGSA-N 0 3 368.868 3.996 20 30 FHEDHN C[C@@H](c1ccncc1)N1CCC(Nc2c(C#N)cnc3ccccc32)CC1 ZINC000581306329 940500999 /nfs/dbraw/zinc/50/09/99/940500999.db2.gz CZONTSUZQPSRTE-INIZCTEOSA-N 0 3 357.461 3.561 20 30 FHEDHN C#CCSCC(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000892537530 940501767 /nfs/dbraw/zinc/50/17/67/940501767.db2.gz DINYWBHCIDSVNR-SNVBAGLBSA-N 0 3 354.378 3.858 20 30 FHEDHN C[C@H](CC1CCCCC1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000426605881 945329036 /nfs/dbraw/zinc/32/90/36/945329036.db2.gz QWKWYKYMTNFYIE-GOSISDBHSA-N 0 3 370.541 3.990 20 30 FHEDHN CC[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330083914 945349255 /nfs/dbraw/zinc/34/92/55/945349255.db2.gz BQQSMDFUZLJGOI-UZKOGDIHSA-N 0 3 372.509 3.681 20 30 FHEDHN CC[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330083913 945349433 /nfs/dbraw/zinc/34/94/33/945349433.db2.gz BQQSMDFUZLJGOI-SYYKKAFVSA-N 0 3 372.509 3.681 20 30 FHEDHN C#C[C@H](CC)NCc1cc(Br)c(OC)c(Br)c1 ZINC000229890829 940891763 /nfs/dbraw/zinc/89/17/63/940891763.db2.gz RMAZHIBRXYVERI-SNVBAGLBSA-N 0 3 361.077 3.722 20 30 FHEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCCC2 ZINC000330120763 945364585 /nfs/dbraw/zinc/36/45/85/945364585.db2.gz BFPOZFQWDQNCRQ-ZFWWWQNUSA-N 0 3 351.516 3.793 20 30 FHEDHN C=CCN(CCc1ccccc1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659029376 941030051 /nfs/dbraw/zinc/03/00/51/941030051.db2.gz HNUDRDISTDQOIP-NRFANRHFSA-N 0 3 365.477 3.610 20 30 FHEDHN C=CCN(Cc1ccccc1F)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659029017 941030853 /nfs/dbraw/zinc/03/08/53/941030853.db2.gz FLXZBYUOFWDGJD-HXUWFJFHSA-N 0 3 369.440 3.707 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)CC1 ZINC000176453609 941045017 /nfs/dbraw/zinc/04/50/17/941045017.db2.gz LCBWQMFJQCLNIU-OAQYLSRUSA-N 0 3 367.468 3.865 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccc(OC(F)F)cc1 ZINC000122131339 941062089 /nfs/dbraw/zinc/06/20/89/941062089.db2.gz ZTEGUNHMNNUBAY-OAHLLOKOSA-N 0 3 369.371 3.984 20 30 FHEDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2cccc(C#N)c2C)c1 ZINC000178579181 941280474 /nfs/dbraw/zinc/28/04/74/941280474.db2.gz BIRNIFKOKZLYQG-UHFFFAOYSA-N 0 3 350.466 3.771 20 30 FHEDHN CN1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000181534819 941530384 /nfs/dbraw/zinc/53/03/84/941530384.db2.gz YYLATEHPXPOJIC-UHFFFAOYSA-N 0 3 350.422 3.520 20 30 FHEDHN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460371478 941641003 /nfs/dbraw/zinc/64/10/03/941641003.db2.gz VFEFQHKJHCRQPJ-IRXDYDNUSA-N 0 3 371.504 3.503 20 30 FHEDHN C=CCC[C@@H](O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000472744614 941663772 /nfs/dbraw/zinc/66/37/72/941663772.db2.gz CJMULIQZIDJEPT-AUSIDOKSSA-N 0 3 367.489 3.978 20 30 FHEDHN CCc1nc2cc(CNCc3cnc4ccc(C#N)cn34)ccc2n1C1CC1 ZINC000549247422 941742036 /nfs/dbraw/zinc/74/20/36/941742036.db2.gz PJZGPXZVPXLSNA-UHFFFAOYSA-N 0 3 370.460 3.743 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cc(Cl)ccc2F)CC1 ZINC000433608952 941794862 /nfs/dbraw/zinc/79/48/62/941794862.db2.gz QGXOEGGHURFURI-UHFFFAOYSA-N 0 3 353.869 3.661 20 30 FHEDHN C=CCOc1c(Br)cc(CNCC2(CC#N)CC2)cc1OC ZINC000430007484 941805029 /nfs/dbraw/zinc/80/50/29/941805029.db2.gz RSENYXGIWIRWDA-UHFFFAOYSA-N 0 3 365.271 3.806 20 30 FHEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000513311993 941840112 /nfs/dbraw/zinc/84/01/12/941840112.db2.gz YKGAOHMQUANSDL-UHFFFAOYSA-N 0 3 369.896 3.928 20 30 FHEDHN CCOc1c(Br)cc(CNCC2(CC#N)CC2)cc1OC ZINC000430019566 941988940 /nfs/dbraw/zinc/98/89/40/941988940.db2.gz HIIVPBGUKMPJJF-UHFFFAOYSA-N 0 3 353.260 3.640 20 30 FHEDHN CCCN(CCN1CCCCC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000513525948 941997079 /nfs/dbraw/zinc/99/70/79/941997079.db2.gz RDQAVTOHDIXCOO-UHFFFAOYSA-N 0 3 359.518 3.845 20 30 FHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000501837570 942085748 /nfs/dbraw/zinc/08/57/48/942085748.db2.gz RKNPNJYHFMSKJZ-QGZVFWFLSA-N 0 3 351.494 3.936 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280035670 942091870 /nfs/dbraw/zinc/09/18/70/942091870.db2.gz WGXZRAXUQZKSPB-UHFFFAOYSA-N 0 3 374.488 3.563 20 30 FHEDHN COCCOc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000513746009 942473574 /nfs/dbraw/zinc/47/35/74/942473574.db2.gz LVTXENBBNFOCAF-UHFFFAOYSA-N 0 3 366.461 3.627 20 30 FHEDHN N#CCC[C@@H](C#N)CNC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000549408710 942492962 /nfs/dbraw/zinc/49/29/62/942492962.db2.gz QLGLEQABGTWXAG-INIZCTEOSA-N 0 3 364.415 3.703 20 30 FHEDHN C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc(C#N)s1 ZINC000421350181 942502814 /nfs/dbraw/zinc/50/28/14/942502814.db2.gz KTVVAMKOHQLKBO-CYBMUJFWSA-N 0 3 361.898 3.800 20 30 FHEDHN N#CCNC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000549409477 942511416 /nfs/dbraw/zinc/51/14/16/942511416.db2.gz VOGHBGUPLAJHLF-QGZVFWFLSA-N 0 3 353.388 3.556 20 30 FHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](Oc2ccccc2)C1 ZINC000502552223 942519234 /nfs/dbraw/zinc/51/92/34/942519234.db2.gz BFVMEIAXRVVGPQ-RBBKRZOGSA-N 0 3 367.489 3.698 20 30 FHEDHN C=CCCO[C@@H](C)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000501763824 942666231 /nfs/dbraw/zinc/66/62/31/942666231.db2.gz TXMLGPGXMJPNQE-FXAWDEMLSA-N 0 3 358.526 3.557 20 30 FHEDHN CN(C[C@H]1CCCN1C)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000421701475 942757433 /nfs/dbraw/zinc/75/74/33/942757433.db2.gz HTLIUHMPHXUOBX-QGZVFWFLSA-N 0 3 365.502 3.876 20 30 FHEDHN CN1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000181588786 942776510 /nfs/dbraw/zinc/77/65/10/942776510.db2.gz FCHAVVQVJAEULJ-UHFFFAOYSA-N 0 3 350.422 3.520 20 30 FHEDHN CC(C)N(CCN(C)C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000151983579 942862497 /nfs/dbraw/zinc/86/24/97/942862497.db2.gz ZHHLOHCMPSJZAR-UHFFFAOYSA-N 0 3 365.477 3.549 20 30 FHEDHN CC[C@H]1CN(c2ccccc2)CCN1CCC(=O)Nc1sccc1C#N ZINC000184006096 942955954 /nfs/dbraw/zinc/95/59/54/942955954.db2.gz YJLRALXCGXPOFH-KRWDZBQOSA-N 0 3 368.506 3.549 20 30 FHEDHN CC(C)(C)OC(=O)c1cccc(CNCc2ccc(OCC#N)cc2)c1 ZINC000272083421 943092949 /nfs/dbraw/zinc/09/29/49/943092949.db2.gz BLWSHAGHMJFYNW-UHFFFAOYSA-N 0 3 352.434 3.834 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccsc1 ZINC000435051017 943122814 /nfs/dbraw/zinc/12/28/14/943122814.db2.gz XSFZUPTWWYEPOR-LJQANCHMSA-N 0 3 367.518 3.851 20 30 FHEDHN N#CCOc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000272896430 943240630 /nfs/dbraw/zinc/24/06/30/943240630.db2.gz FPPPKXJOOSKXCZ-HNNXBMFYSA-N 0 3 364.371 3.641 20 30 FHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000505667544 943340871 /nfs/dbraw/zinc/34/08/71/943340871.db2.gz ZHPUQSRFZKCOLW-LJQANCHMSA-N 0 3 366.465 3.770 20 30 FHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000613733007 943413182 /nfs/dbraw/zinc/41/31/82/943413182.db2.gz JQDMQYXEQXNYJR-MJGOQNOKSA-N 0 3 351.494 3.936 20 30 FHEDHN N#Cc1ccc(CN(CCCN2CCCC2=O)Cc2cccc(F)c2)cc1 ZINC000053234458 943422543 /nfs/dbraw/zinc/42/25/43/943422543.db2.gz XTUWXNMNJPPACF-UHFFFAOYSA-N 0 3 365.452 3.712 20 30 FHEDHN N#Cc1ccc(C2=CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000503974007 943447029 /nfs/dbraw/zinc/44/70/29/943447029.db2.gz TVEVJVQXWKWTGL-HSZRJFAPSA-N 0 3 371.484 3.839 20 30 FHEDHN C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCN(C2CC2)C1 ZINC000515207272 943568834 /nfs/dbraw/zinc/56/88/34/943568834.db2.gz HJLYGQWIRNTNJY-KRWDZBQOSA-N 0 3 374.488 3.858 20 30 FHEDHN Cc1nc(NC(=O)[C@@H](N)CCCC#N)sc1Cc1cccc(Cl)c1 ZINC000424093145 943728470 /nfs/dbraw/zinc/72/84/70/943728470.db2.gz QPFLLOQMFQNBPD-AWEZNQCLSA-N 0 3 362.886 3.655 20 30 FHEDHN CC(C)(C)c1cc(NC(=O)[C@@H](N)CCCC#N)n(-c2cccc(Cl)c2)n1 ZINC000424092955 943728513 /nfs/dbraw/zinc/72/85/13/943728513.db2.gz IIIQGJJSNMXUPN-HNNXBMFYSA-N 0 3 373.888 3.783 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000424111998 943737096 /nfs/dbraw/zinc/73/70/96/943737096.db2.gz HWIYDYSRUPZKFX-HOTGVXAUSA-N 0 3 353.388 3.780 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000424113226 943737778 /nfs/dbraw/zinc/73/77/78/943737778.db2.gz MNJPUPHLXSBBSN-RTBURBONSA-N 0 3 361.917 3.969 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000424114829 943738859 /nfs/dbraw/zinc/73/88/59/943738859.db2.gz SGMQAVZORSDCOK-KRWDZBQOSA-N 0 3 359.376 3.503 20 30 FHEDHN Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424115716 943739795 /nfs/dbraw/zinc/73/97/95/943739795.db2.gz VLZVKKOWLFTHRI-SFHVURJKSA-N 0 3 355.413 3.673 20 30 FHEDHN COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424117033 943740483 /nfs/dbraw/zinc/74/04/83/943740483.db2.gz CFGQZQLJZWXYAD-DNVCBOLYSA-N 0 3 351.450 3.561 20 30 FHEDHN COCCc1ccc(Oc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)cc1 ZINC000424140325 943749029 /nfs/dbraw/zinc/74/90/29/943749029.db2.gz OAVUCGZPXBWDGT-HXUWFJFHSA-N 0 3 367.449 3.627 20 30 FHEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000424148225 943751417 /nfs/dbraw/zinc/75/14/17/943751417.db2.gz ZMUYDLSBRJVZGY-SESVDKBCSA-N 0 3 350.462 3.856 20 30 FHEDHN COc1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)c2ccccc2Cl)cc1 ZINC000424130587 943756949 /nfs/dbraw/zinc/75/69/49/943756949.db2.gz UAJURJRPNFXLRN-RBUKOAKNSA-N 0 3 371.868 3.575 20 30 FHEDHN COc1cccc([C@@H](NC(=O)[C@@H](N)CCCC#N)c2ccccc2Cl)c1 ZINC000424131381 943757721 /nfs/dbraw/zinc/75/77/21/943757721.db2.gz UYIHLCKMHBAGIH-RBUKOAKNSA-N 0 3 371.868 3.575 20 30 FHEDHN COc1ccc2c(c1)CN(C(=O)[C@H](N)CCCC#N)[C@H](C1CCCCC1)C2 ZINC000424134476 943759381 /nfs/dbraw/zinc/75/93/81/943759381.db2.gz KOISNXAFNCPDQS-RTWAWAEBSA-N 0 3 369.509 3.550 20 30 FHEDHN N#Cc1ccc(CN[C@H]2CCN(c3cccc(Br)c3)C2)c(F)c1 ZINC000515318781 943798499 /nfs/dbraw/zinc/79/84/99/943798499.db2.gz MDPAIFRCLCFXDY-INIZCTEOSA-N 0 3 374.257 3.828 20 30 FHEDHN C=CCCc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000505005234 943960425 /nfs/dbraw/zinc/96/04/25/943960425.db2.gz JMAJRXJNXZHRDC-KRWDZBQOSA-N 0 3 357.498 3.522 20 30 FHEDHN CCCN(CCN1CCCCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000500101342 944097548 /nfs/dbraw/zinc/09/75/48/944097548.db2.gz WNNXZGMOCDSZHY-FQEVSTJZSA-N 0 3 356.514 3.939 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ccccc2C(C)C)CC1 ZINC000111495907 944274905 /nfs/dbraw/zinc/27/49/05/944274905.db2.gz FVJIEYLTCVOVOP-UHFFFAOYSA-N 0 3 359.514 3.529 20 30 FHEDHN N#Cc1ccc(CN2CCCN(CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000426365462 944565069 /nfs/dbraw/zinc/56/50/69/944565069.db2.gz LMRZIQZELDEBDN-UHFFFAOYSA-N 0 3 363.892 3.771 20 30 FHEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123951209 944654293 /nfs/dbraw/zinc/65/42/93/944654293.db2.gz CFUWFXGLONMJDX-LBPRGKRZSA-N 0 3 367.714 3.715 20 30 FHEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126585651 944836561 /nfs/dbraw/zinc/83/65/61/944836561.db2.gz ZSBURPAYUXHOJE-CYBMUJFWSA-N 0 3 350.346 3.864 20 30 FHEDHN C[C@@](C#N)(NC(=O)CN(Cc1ccccc1)[C@@H]1CCCC1(C)C)C1CC1 ZINC000426836068 944854886 /nfs/dbraw/zinc/85/48/86/944854886.db2.gz SXQQQFUPDOIINA-KNQAVFIVSA-N 0 3 353.510 3.876 20 30 FHEDHN N#Cc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000505927961 944911485 /nfs/dbraw/zinc/91/14/85/944911485.db2.gz GPQDABRZONQSHA-SFHVURJKSA-N 0 3 355.388 3.654 20 30 FHEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000518107322 945030558 /nfs/dbraw/zinc/03/05/58/945030558.db2.gz VVXLJJBFFPATEA-INIZCTEOSA-N 0 3 367.880 3.806 20 30 FHEDHN CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000426152579 945031421 /nfs/dbraw/zinc/03/14/21/945031421.db2.gz HHQQLQXDWVVZGX-QGZVFWFLSA-N 0 3 368.868 3.950 20 30 FHEDHN CC(C)c1ccc2c(c1)[C@H](NC([O-])=[NH+][C@@H]1CCn3ccnc3C1)CCC2 ZINC000330183133 945392414 /nfs/dbraw/zinc/39/24/14/945392414.db2.gz HSEAAFAALWKPGW-IEBWSBKVSA-N 0 3 352.482 3.903 20 30 FHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000440326974 945405584 /nfs/dbraw/zinc/40/55/84/945405584.db2.gz IDRQZTXZOWVQFI-IEBWSBKVSA-N 0 3 372.534 3.929 20 30 FHEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000330255224 945428056 /nfs/dbraw/zinc/42/80/56/945428056.db2.gz JWGLZBXWCQXCCT-NZVBXONLSA-N 0 3 353.260 3.583 20 30 FHEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000473615613 945496320 /nfs/dbraw/zinc/49/63/20/945496320.db2.gz QHNNCTHVXIHICI-IRLDBZIGSA-N 0 3 358.526 3.805 20 30 FHEDHN O=C(CNC(=O)[C@@H]1CCCCN1C1CCCC1)N1CCCc2ccccc21 ZINC000330316677 945538777 /nfs/dbraw/zinc/53/87/77/945538777.db2.gz ZNAFJLAUEGLIDQ-FQEVSTJZSA-N 0 3 369.509 3.719 20 30 FHEDHN C=CCc1ccc(OC[C@H](O)CN2CCc3c(C)cccc3C2)c(OC)c1 ZINC000729480180 945576397 /nfs/dbraw/zinc/57/63/97/945576397.db2.gz NWPHOFGPXWFLQI-HXUWFJFHSA-N 0 3 367.489 3.530 20 30 FHEDHN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125230242 945688818 /nfs/dbraw/zinc/68/88/18/945688818.db2.gz MIBUSHHRIDTXPH-RDJZCZTQSA-N 0 3 365.433 3.628 20 30 FHEDHN C[C@H](Sc1ccccc1Cl)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125270027 945699066 /nfs/dbraw/zinc/69/90/66/945699066.db2.gz JLNQGMVIVNQRHH-NWDGAFQWSA-N 0 3 359.838 3.563 20 30 FHEDHN CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000444065678 945777141 /nfs/dbraw/zinc/77/71/41/945777141.db2.gz RIZWIWRMOBRUNB-UHFFFAOYSA-N 0 3 357.479 3.509 20 30 FHEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccc1C ZINC000048813436 945796116 /nfs/dbraw/zinc/79/61/16/945796116.db2.gz YWULLYOSYJMPEY-HNNXBMFYSA-N 0 3 355.401 3.856 20 30 FHEDHN COc1ccc(C#N)cc1CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519850044 945818933 /nfs/dbraw/zinc/81/89/33/945818933.db2.gz LJPPLSJNIRFKFO-ICSRJNTNSA-N 0 3 373.859 3.894 20 30 FHEDHN COc1ccc(C#N)cc1CN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519850027 945819022 /nfs/dbraw/zinc/81/90/22/945819022.db2.gz LJPPLSJNIRFKFO-AZUAARDMSA-N 0 3 373.859 3.894 20 30 FHEDHN COCc1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000550098130 945836498 /nfs/dbraw/zinc/83/64/98/945836498.db2.gz XZFWPEOZOKFFHM-UHFFFAOYSA-N 0 3 354.425 3.887 20 30 FHEDHN CCC1CCC(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000519974930 945984772 /nfs/dbraw/zinc/98/47/72/945984772.db2.gz KXPPMDSKDWXEQO-UHFFFAOYSA-N 0 3 370.541 3.848 20 30 FHEDHN CC(C)(C#N)CCCN1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440914657 946026930 /nfs/dbraw/zinc/02/69/30/946026930.db2.gz NOKGXSSKTHTXER-QGZVFWFLSA-N 0 3 353.466 3.957 20 30 FHEDHN CCC[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000181777594 946077038 /nfs/dbraw/zinc/07/70/38/946077038.db2.gz TVUJDEZKQAQPAD-HXUWFJFHSA-N 0 3 373.460 3.813 20 30 FHEDHN C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000520128038 946156880 /nfs/dbraw/zinc/15/68/80/946156880.db2.gz RECYEXWTYBWMGV-QFIPXVFZSA-N 0 3 363.505 3.701 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCC[C@@H](SC)C1 ZINC000441112635 946222293 /nfs/dbraw/zinc/22/22/93/946222293.db2.gz LMNDJFZKVFCJGJ-HZPDHXFCSA-N 0 3 352.569 3.869 20 30 FHEDHN C[C@@H]1C[C@H](c2cccc(F)c2)N(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000441337991 946446137 /nfs/dbraw/zinc/44/61/37/946446137.db2.gz KMZAEEWUMBNIES-MFMILTCTSA-N 0 3 354.425 3.520 20 30 FHEDHN Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000441369911 946520826 /nfs/dbraw/zinc/52/08/26/946520826.db2.gz GEGMHDCTILCLNF-UXHICEINSA-N 0 3 353.510 3.906 20 30 FHEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2CC(=O)Nc2cccc3nsnc32)C1 ZINC000328735878 947004396 /nfs/dbraw/zinc/00/43/96/947004396.db2.gz KURRKHNVSWSUMI-KFZJALRRSA-N 0 3 374.510 3.541 20 30 FHEDHN C=CCN(CCC(=O)N1CCc2ccccc2C1)Cc1ccc(OC)cc1 ZINC000444570607 947010422 /nfs/dbraw/zinc/01/04/22/947010422.db2.gz HUEYAQMRXWEAMV-UHFFFAOYSA-N 0 3 364.489 3.658 20 30 FHEDHN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328811055 947032523 /nfs/dbraw/zinc/03/25/23/947032523.db2.gz MTAXCCSSDHHHRQ-SMMRIJLZSA-N 0 3 360.498 3.648 20 30 FHEDHN CC(=O)N1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)c2ccccc21 ZINC000328795467 947049644 /nfs/dbraw/zinc/04/96/44/947049644.db2.gz CGPLCWQNMOLAMP-ICSRJNTNSA-N 0 3 357.498 3.951 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSCc2cccc(C)c2)c1 ZINC000127124265 947111885 /nfs/dbraw/zinc/11/18/85/947111885.db2.gz DEVLBRJGIJBQOU-SFHVURJKSA-N 0 3 368.458 3.584 20 30 FHEDHN CC(C)(C)c1ccccc1NC(=O)CN1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000328974967 947129679 /nfs/dbraw/zinc/12/96/79/947129679.db2.gz PUBOBTCAQWEYBH-SFGWALBWSA-N 0 3 374.525 3.824 20 30 FHEDHN CC(C)(C)c1ccccc1NC(=O)CN1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000328974964 947129739 /nfs/dbraw/zinc/12/97/39/947129739.db2.gz PUBOBTCAQWEYBH-JUXOCIIHSA-N 0 3 374.525 3.824 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000662083281 947218552 /nfs/dbraw/zinc/21/85/52/947218552.db2.gz BBDXBUFTXUTUDF-QKLQHJQFSA-N 0 3 370.493 3.550 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000662087711 947227107 /nfs/dbraw/zinc/22/71/07/947227107.db2.gz IQXCQZIBAMKXNV-SVFBPWRDSA-N 0 3 354.494 3.932 20 30 FHEDHN COc1c(Cl)cc(NC(=O)N[C@H](C)C2=CCN(C)CC2)cc1Cl ZINC000330787327 947285041 /nfs/dbraw/zinc/28/50/41/947285041.db2.gz OVOCIXBJZOPHBU-SNVBAGLBSA-N 0 3 358.269 3.978 20 30 FHEDHN Cc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1NC(=O)NC(C)(C)C ZINC000330788641 947286415 /nfs/dbraw/zinc/28/64/15/947286415.db2.gz QZOOAZZFCKOHFS-OAHLLOKOSA-N 0 3 372.513 3.884 20 30 FHEDHN C[C@@H]1CCCCN1CCNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000330901276 947307872 /nfs/dbraw/zinc/30/78/72/947307872.db2.gz AYJPPKDKAHKIMH-CQSZACIVSA-N 0 3 363.477 3.989 20 30 FHEDHN C=CCN1CCC(Nc2ccc(C(=O)Nc3ccc(C)cc3)cn2)CC1 ZINC000301399826 947326479 /nfs/dbraw/zinc/32/64/79/947326479.db2.gz PIOZNCZIKVTHJN-UHFFFAOYSA-N 0 3 350.466 3.705 20 30 FHEDHN C=CCCCCCN(C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000523550868 947365591 /nfs/dbraw/zinc/36/55/91/947365591.db2.gz DZMXSYFXDYMKRA-IBGZPJMESA-N 0 3 372.509 3.800 20 30 FHEDHN CC/C(=C/C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000728862603 947801812 /nfs/dbraw/zinc/80/18/12/947801812.db2.gz BSASMZQOTXZCBJ-PGMHBOJBSA-N 0 3 361.489 3.942 20 30 FHEDHN Cc1cccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000459186577 948755968 /nfs/dbraw/zinc/75/59/68/948755968.db2.gz BXQJWUVFBLNDGV-GOSISDBHSA-N 0 3 364.493 3.701 20 30 FHEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967583 567889502 /nfs/dbraw/zinc/88/95/02/567889502.db2.gz HHXPESBHEUWVRC-NXEZZACHSA-N 0 3 355.269 3.821 20 30 FHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000481459522 567956222 /nfs/dbraw/zinc/95/62/22/567956222.db2.gz MPNKZUOGUAAJNO-MOPGFXCFSA-N 0 3 370.541 3.846 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cc(F)cc(Br)c1 ZINC000602519203 567986920 /nfs/dbraw/zinc/98/69/20/567986920.db2.gz VFEYTHPUAYMMSD-LBPRGKRZSA-N 0 3 355.251 3.777 20 30 FHEDHN N#Cc1cccc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n1 ZINC000602508962 567988941 /nfs/dbraw/zinc/98/89/41/567988941.db2.gz CTTZZZYKZITQEI-NXEZZACHSA-N 0 3 351.294 3.952 20 30 FHEDHN CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](N)CCCC#N ZINC000602535688 567992245 /nfs/dbraw/zinc/99/22/45/567992245.db2.gz XMSPRUNMSSYCLW-INIZCTEOSA-N 0 3 355.404 3.711 20 30 FHEDHN C[C@@H](CCC#N)CN[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000602587437 567994440 /nfs/dbraw/zinc/99/44/40/567994440.db2.gz GTQNOLMLHSCZLJ-OXJNMPFZSA-N 0 3 356.491 3.709 20 30 FHEDHN N#CCCCC[C@@H](N)C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000602594136 567995652 /nfs/dbraw/zinc/99/56/52/567995652.db2.gz SFMAJWYKILLESS-MRXNPFEDSA-N 0 3 353.388 3.860 20 30 FHEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000602571889 567996191 /nfs/dbraw/zinc/99/61/91/567996191.db2.gz WCYAAKXTFMLSRL-NVXWUHKLSA-N 0 3 358.873 3.726 20 30 FHEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000481502723 568005472 /nfs/dbraw/zinc/00/54/72/568005472.db2.gz CDVSOYSSSCYYMJ-UHFFFAOYSA-N 0 3 362.477 3.781 20 30 FHEDHN CCC[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CCN1CCOC ZINC000568336820 568026158 /nfs/dbraw/zinc/02/61/58/568026158.db2.gz GFYMNHWCHGIIRT-QGZVFWFLSA-N 0 3 369.431 3.510 20 30 FHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000568418156 568032200 /nfs/dbraw/zinc/03/22/00/568032200.db2.gz KBKNHEZQPALJAD-SFHVURJKSA-N 0 3 356.857 3.945 20 30 FHEDHN CCc1nnc(Nc2cccc3c2OCC[C@H]3N(C)C)c(C#N)c1CC ZINC000568497775 568037378 /nfs/dbraw/zinc/03/73/78/568037378.db2.gz NZFBPVRJYRBTHN-GOSISDBHSA-N 0 3 351.454 3.602 20 30 FHEDHN Cc1cc(C#N)cc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000568597456 568074697 /nfs/dbraw/zinc/07/46/97/568074697.db2.gz DCWSPJJCPCYIOI-LEWJYISDSA-N 0 3 374.488 3.853 20 30 FHEDHN Cc1cc(C#N)cc(NC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000568597460 568074706 /nfs/dbraw/zinc/07/47/06/568074706.db2.gz DCWSPJJCPCYIOI-RTWAWAEBSA-N 0 3 374.488 3.853 20 30 FHEDHN CCc1ccc([C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)N(C)C)cc1 ZINC000481656054 568082192 /nfs/dbraw/zinc/08/21/92/568082192.db2.gz JMLRQMOPMLSLCX-IBGZPJMESA-N 0 3 354.429 3.684 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000481918630 568183222 /nfs/dbraw/zinc/18/32/22/568183222.db2.gz IAXWTIBQPHRYRT-IERDGZPVSA-N 0 3 372.415 3.633 20 30 FHEDHN Cc1ccc([C@@H](C)N(C)C[C@@H](O)COc2ccc(CC#N)cc2)c(C)c1 ZINC000604081574 568209083 /nfs/dbraw/zinc/20/90/83/568209083.db2.gz XFQGREGUJUNXEC-UYAOXDASSA-N 0 3 352.478 3.802 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000568806699 568229151 /nfs/dbraw/zinc/22/91/51/568229151.db2.gz JTTBWYFCUGRDPH-NHCUHLMSSA-N 0 3 374.488 3.853 20 30 FHEDHN CN(C)c1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000541945085 568272725 /nfs/dbraw/zinc/27/27/25/568272725.db2.gz SKHUGWKUYLCCQX-UHFFFAOYSA-N 0 3 358.445 3.632 20 30 FHEDHN CC(C)N(CCN(C)C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000152010640 568306956 /nfs/dbraw/zinc/30/69/56/568306956.db2.gz RPXLZOYLNHCFQK-UHFFFAOYSA-N 0 3 351.450 3.763 20 30 FHEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)C(C)C ZINC000604746791 568356388 /nfs/dbraw/zinc/35/63/88/568356388.db2.gz ITBQISQEIKWIDQ-TXPKVOOTSA-N 0 3 362.464 3.883 20 30 FHEDHN COC[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000569704445 568413046 /nfs/dbraw/zinc/41/30/46/568413046.db2.gz OWVCZDZLARRTDI-NRFANRHFSA-N 0 3 353.441 3.643 20 30 FHEDHN CN(C)CCN(Cc1conc1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000569949919 568444143 /nfs/dbraw/zinc/44/41/43/568444143.db2.gz MTPYTLNFPHRVNZ-UHFFFAOYSA-N 0 3 374.488 3.701 20 30 FHEDHN C[C@@H]1CSc2ccccc2CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000365305681 568466259 /nfs/dbraw/zinc/46/62/59/568466259.db2.gz LKKBRNRPXGWLLF-DNVCBOLYSA-N 0 3 361.470 3.764 20 30 FHEDHN C=CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605168057 568596045 /nfs/dbraw/zinc/59/60/45/568596045.db2.gz SFZSQGWDHQWGPW-GDBMZVCRSA-N 0 3 355.404 3.574 20 30 FHEDHN N#Cc1c(C#N)c(N2CC[C@@H](N3CCCCC3)C2)nc2c1CCCCCC2 ZINC000408327257 568688206 /nfs/dbraw/zinc/68/82/06/568688206.db2.gz AVRVVFMQCGNSSF-QGZVFWFLSA-N 0 3 363.509 3.549 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC)c1ccsc1 ZINC000050108223 568727740 /nfs/dbraw/zinc/72/77/40/568727740.db2.gz KXJMTODCJZSYJP-QGZVFWFLSA-N 0 3 372.494 3.833 20 30 FHEDHN N#Cc1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164627292 719058096 /nfs/dbraw/zinc/05/80/96/719058096.db2.gz QKYHWXQRQAGPLK-PKOBYXMFSA-N 0 3 352.869 3.707 20 30 FHEDHN CC1(C)CCc2cc(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc2O1 ZINC000430179565 927582246 /nfs/dbraw/zinc/58/22/46/927582246.db2.gz PDKIUFIHXZAAKH-IBGZPJMESA-N 0 3 363.461 3.710 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2N2CCCCC2)CC1 ZINC000182722154 928670744 /nfs/dbraw/zinc/67/07/44/928670744.db2.gz VLJPQCJTMVEZTO-UHFFFAOYSA-N 0 3 370.541 3.517 20 30 FHEDHN CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000278157137 937278306 /nfs/dbraw/zinc/27/83/06/937278306.db2.gz AZCPBTCYPGLMMN-YWZLYKJASA-N 0 3 371.506 3.610 20 30 FHEDHN C=CCN1CCC(NC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)CC1 ZINC000179807447 929068751 /nfs/dbraw/zinc/06/87/51/929068751.db2.gz ORHKGHBFGIRSRC-ICSRJNTNSA-N 0 3 350.547 3.909 20 30 FHEDHN N#CCCN(Cc1ccccn1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000413370407 929137342 /nfs/dbraw/zinc/13/73/42/929137342.db2.gz ZQELDHXGWGGWJC-UHFFFAOYSA-N 0 3 362.477 3.624 20 30 FHEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1c(F)cc(C#N)cc1F ZINC000154781484 929276974 /nfs/dbraw/zinc/27/69/74/929276974.db2.gz PCJUJUBJAMRPOI-KXBFYZLASA-N 0 3 367.399 3.593 20 30 FHEDHN C=CCC[C@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000180035455 929326943 /nfs/dbraw/zinc/32/69/43/929326943.db2.gz SVSBSOLXBONROZ-VQTJNVASSA-N 0 3 350.462 3.924 20 30 FHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000583290141 937323403 /nfs/dbraw/zinc/32/34/03/937323403.db2.gz KNQVIUARLMTLGY-UHFFFAOYSA-N 0 3 374.444 3.789 20 30 FHEDHN C=CCCCCCN(C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000150901252 937345677 /nfs/dbraw/zinc/34/56/77/937345677.db2.gz BHWOMOYGGNZDEF-UHFFFAOYSA-N 0 3 371.525 3.542 20 30 FHEDHN Cc1cc([C@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C2CC2)ccc1F ZINC000578964173 929755585 /nfs/dbraw/zinc/75/55/85/929755585.db2.gz VEZZSUDSHZOFAQ-QZTJIDSGSA-N 0 3 369.465 3.914 20 30 FHEDHN C[C@H](Oc1ccc2ccccc2c1)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000796647812 929855303 /nfs/dbraw/zinc/85/53/03/929855303.db2.gz RNZJJVCVBJTMKY-HNAYVOBHSA-N 0 3 374.444 3.801 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@H]([S@](=O)CC)C2)c([O-])c1 ZINC000255138335 929925370 /nfs/dbraw/zinc/92/53/70/929925370.db2.gz DMODYGNBNOFCLO-SFTSXPTPSA-N 0 3 350.528 3.737 20 30 FHEDHN N#Cc1ccc(CN2CCCN(c3ncccc3C(F)(F)F)CC2)cc1 ZINC000047509960 929942932 /nfs/dbraw/zinc/94/29/32/929942932.db2.gz NCOFWKVEPDYFSN-UHFFFAOYSA-N 0 3 360.383 3.684 20 30 FHEDHN CC1(C)CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCS1 ZINC000083415915 930538248 /nfs/dbraw/zinc/53/82/48/930538248.db2.gz MZJKHBMNPRVEFM-UHFFFAOYSA-N 0 3 363.552 3.655 20 30 FHEDHN Cc1ccccc1[C@H](OC[C@@H](O)CN1CCC(C#N)CC1)c1ccccc1 ZINC000145654443 930863316 /nfs/dbraw/zinc/86/33/16/930863316.db2.gz AARKXBNSLXPQIQ-JTHBVZDNSA-N 0 3 364.489 3.698 20 30 FHEDHN C=CCn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000581218865 931694245 /nfs/dbraw/zinc/69/42/45/931694245.db2.gz BIBCPYQMOPRAKM-VQTJNVASSA-N 0 3 365.525 3.679 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)cccc2OC(F)F)CC1 ZINC000069327925 931716333 /nfs/dbraw/zinc/71/63/33/931716333.db2.gz RTDITRFMTDUGBM-UHFFFAOYSA-N 0 3 353.413 3.758 20 30 FHEDHN COc1cc(OC)c(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1OC ZINC000430603917 932065455 /nfs/dbraw/zinc/06/54/55/932065455.db2.gz OQBVNRBBWWBMLT-LBPRGKRZSA-N 0 3 374.462 3.956 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccccc2Cn2cncn2)s1 ZINC000430619400 932342858 /nfs/dbraw/zinc/34/28/58/932342858.db2.gz ASZROGCMBRQVBM-OAHLLOKOSA-N 0 3 365.462 3.570 20 30 FHEDHN Cc1cc(Cl)cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000477466658 932626314 /nfs/dbraw/zinc/62/63/14/932626314.db2.gz YQQDMGKEKXEKLT-UHFFFAOYSA-N 0 3 355.869 3.724 20 30 FHEDHN C=CCN(Cc1cccs1)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000051262526 932761262 /nfs/dbraw/zinc/76/12/62/932761262.db2.gz FSHRYTDLUMCXPI-QGZVFWFLSA-N 0 3 355.507 3.764 20 30 FHEDHN CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000178178717 932761895 /nfs/dbraw/zinc/76/18/95/932761895.db2.gz BNTSPNYEJRHPNQ-JXFKEZNVSA-N 0 3 365.477 3.827 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000471810094 932998695 /nfs/dbraw/zinc/99/86/95/932998695.db2.gz MYZFZMISPPFJAV-FXAWDEMLSA-N 0 3 359.489 3.802 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]\C2CCN(Cc3ccncc3)CC2)c([O-])c1 ZINC000255390318 933050046 /nfs/dbraw/zinc/05/00/46/933050046.db2.gz GQNGTLHNOXCYFG-JLPGSUDCSA-N 0 3 366.509 3.717 20 30 FHEDHN CC(C)[C@@H]1CCC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000510596029 933256403 /nfs/dbraw/zinc/25/64/03/933256403.db2.gz IRLOEJPOVMFZSV-NHCUHLMSSA-N 0 3 370.541 3.846 20 30 FHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000510742102 933628554 /nfs/dbraw/zinc/62/85/54/933628554.db2.gz WIOXIKYQYWGHGM-CYBMUJFWSA-N 0 3 368.399 3.650 20 30 FHEDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933846769 933706850 /nfs/dbraw/zinc/70/68/50/933706850.db2.gz ZAYFXJGBFHTAIN-UHFFFAOYSA-N 0 3 352.438 3.624 20 30 FHEDHN COc1ccccc1-c1nc(C2CCN(CCC(C)(C)C#N)CC2)no1 ZINC000276843557 933772948 /nfs/dbraw/zinc/77/29/48/933772948.db2.gz SLMSIAAHOXIURB-UHFFFAOYSA-N 0 3 354.454 3.864 20 30 FHEDHN COc1cccc(/C=N/C[C@@H](c2ccccc2OC)N2CCCC2)c1O ZINC000022769452 934356157 /nfs/dbraw/zinc/35/61/57/934356157.db2.gz ALFRYKCINRFVMQ-OVBDPADQSA-N 0 3 354.450 3.665 20 30 FHEDHN N#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458191194 934363463 /nfs/dbraw/zinc/36/34/63/934363463.db2.gz KDLXRPYXBQUUGS-LEWJYISDSA-N 0 3 365.452 3.604 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC000329022385 934873893 /nfs/dbraw/zinc/87/38/93/934873893.db2.gz UBELTRNFOAHCNB-IEBWSBKVSA-N 0 3 357.498 3.571 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1Cl ZINC000051376707 935135670 /nfs/dbraw/zinc/13/56/70/935135670.db2.gz MHURIHCYFQVFIR-UHFFFAOYSA-N 0 3 356.857 3.807 20 30 FHEDHN C[C@H](N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(C#N)c(F)c1 ZINC000540706664 935541059 /nfs/dbraw/zinc/54/10/59/935541059.db2.gz QDJGOUHXAWZOPT-PNLZDCPESA-N 0 3 367.468 3.637 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000178587858 935767602 /nfs/dbraw/zinc/76/76/02/935767602.db2.gz SMZLXIDFTKBARB-UHFFFAOYSA-N 0 3 362.477 3.995 20 30 FHEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000611620241 935826107 /nfs/dbraw/zinc/82/61/07/935826107.db2.gz BXDYOAJODSSLMQ-UHFFFAOYSA-N 0 3 367.453 3.549 20 30 FHEDHN CSc1ccc(O[C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000158713753 935930640 /nfs/dbraw/zinc/93/06/40/935930640.db2.gz LRIZXCJWWYKHHY-GUYCJALGSA-N 0 3 354.431 3.523 20 30 FHEDHN C=CC[C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1 ZINC000427165961 945134866 /nfs/dbraw/zinc/13/48/66/945134866.db2.gz YXBBXLQCQPXCAI-QFIPXVFZSA-N 0 3 364.489 3.942 20 30 FHEDHN C=CCC1(NCc2csc(COc3ccc(OC)cc3)n2)CCOCC1 ZINC000657633317 936127745 /nfs/dbraw/zinc/12/77/45/936127745.db2.gz LQTJQTUDVDUFPC-UHFFFAOYSA-N 0 3 374.506 3.946 20 30 FHEDHN C=C(C)COc1cc(CN2CCC(CC(=O)OCC)CC2)ccc1OC ZINC000507331680 945150844 /nfs/dbraw/zinc/15/08/44/945150844.db2.gz VTQWXUKTCURNEF-UHFFFAOYSA-N 0 3 361.482 3.815 20 30 FHEDHN CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000458567316 938286631 /nfs/dbraw/zinc/28/66/31/938286631.db2.gz JKPBTFSFZAADEY-IBGZPJMESA-N 0 3 370.522 3.866 20 30 FHEDHN Cc1[nH]c2ccccc2c1C1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000329272639 938311452 /nfs/dbraw/zinc/31/14/52/938311452.db2.gz AHNVEIMKWVUNDV-QGZVFWFLSA-N 0 3 366.509 3.806 20 30 FHEDHN CCCN1CCC[C@H]1C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000329565703 938489424 /nfs/dbraw/zinc/48/94/24/938489424.db2.gz SOYBYWVXWSZUHC-SFHVURJKSA-N 0 3 358.486 3.659 20 30 FHEDHN CC(=O)OCCCSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000278570130 938541055 /nfs/dbraw/zinc/54/10/55/938541055.db2.gz DKDKBXGAUZIURC-HNNXBMFYSA-N 0 3 374.487 3.673 20 30 FHEDHN C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536193438 938543646 /nfs/dbraw/zinc/54/36/46/938543646.db2.gz VGCXEJZRHSXPTQ-FCHUYYIVSA-N 0 3 363.505 3.872 20 30 FHEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000584108843 938601112 /nfs/dbraw/zinc/60/11/12/938601112.db2.gz WYQLMTBGTACOPU-SAABIXHNSA-N 0 3 374.893 3.521 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000516737520 945196398 /nfs/dbraw/zinc/19/63/98/945196398.db2.gz HBYXIINKOKKEQO-GOSISDBHSA-N 0 3 358.526 3.850 20 30 FHEDHN C=CCCC(C)(C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000664783645 945200471 /nfs/dbraw/zinc/20/04/71/945200471.db2.gz DRTZGYMGLRTJNF-UHFFFAOYSA-N 0 3 361.452 3.836 20 30 FHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000248759213 938887217 /nfs/dbraw/zinc/88/72/17/938887217.db2.gz GKXKZWJDVPYPOD-XHBSWPGZSA-N 0 3 352.265 3.771 20 30 FHEDHN C=CCOc1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000091949074 939021415 /nfs/dbraw/zinc/02/14/15/939021415.db2.gz HWMZFCFDYJOEQT-GOSISDBHSA-N 0 3 356.510 3.722 20 30 FHEDHN N#CC(C(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1nc(C2CC2)cs1 ZINC000647379431 939084871 /nfs/dbraw/zinc/08/48/71/939084871.db2.gz JWBHLGBRCGHFKM-CVEARBPZSA-N 0 3 354.431 3.678 20 30 FHEDHN N#CC1(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CCCCC1 ZINC000511828133 945226602 /nfs/dbraw/zinc/22/66/02/945226602.db2.gz DBKYMWHLUJBPHF-AQNXPRMDSA-N 0 3 351.494 3.597 20 30 FHEDHN N#CCc1ccc(CN2CCC[C@H]2COC(=O)NC2CCCCC2)cc1 ZINC000796682781 939092043 /nfs/dbraw/zinc/09/20/43/939092043.db2.gz KWXRTSFCLIHMII-FQEVSTJZSA-N 0 3 355.482 3.776 20 30 FHEDHN C[C@@H]1CO[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000892489112 940022629 /nfs/dbraw/zinc/02/26/29/940022629.db2.gz DTKOAFOMVHUKDX-QOKNQOGYSA-N 0 3 364.401 3.551 20 30 FHEDHN N#CC(C(=O)C[C@H]1CCC2(CCC2)CO1)C(=O)Nc1ccc(Cl)cc1 ZINC000892493158 940044602 /nfs/dbraw/zinc/04/46/02/940044602.db2.gz CGNCUWRERUFEJP-HZPDHXFCSA-N 0 3 360.841 3.727 20 30 FHEDHN CCCCc1nc(C)c(CC(=O)C(C#N)C(=O)Nc2ccccc2)s1 ZINC000892494186 940053497 /nfs/dbraw/zinc/05/34/97/940053497.db2.gz BJGYWZMGPGFFSG-HNNXBMFYSA-N 0 3 355.463 3.684 20 30 FHEDHN N#CC(C(=O)CCc1c2ccccc2[nH]c1-c1ccccc1)C(=O)NC1CC1 ZINC000892495380 940056217 /nfs/dbraw/zinc/05/62/17/940056217.db2.gz ATTGEANFBFDMKT-IBGZPJMESA-N 0 3 371.440 3.755 20 30 FHEDHN CC1(C)CO[C@H](CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000892497383 940070078 /nfs/dbraw/zinc/07/00/78/940070078.db2.gz ZAYYZHGCXQLEMR-NEPJUHHUSA-N 0 3 369.248 3.846 20 30 FHEDHN CSCc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930827 940078315 /nfs/dbraw/zinc/07/83/15/940078315.db2.gz NFHKQRDIWLVKEG-UHFFFAOYSA-N 0 3 367.518 3.625 20 30 FHEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1 ZINC000065931642 940079281 /nfs/dbraw/zinc/07/92/81/940079281.db2.gz AKSLCXFBORKBHS-UHFFFAOYSA-N 0 3 356.441 3.595 20 30 FHEDHN CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000179933913 940146318 /nfs/dbraw/zinc/14/63/18/940146318.db2.gz GIWUSROJMFKNMQ-UHFFFAOYSA-N 0 3 360.461 3.989 20 30 FHEDHN N#Cc1c(F)ccc(CNC2CCN(C(=O)c3ccccc3)CC2)c1Cl ZINC000365407248 940152743 /nfs/dbraw/zinc/15/27/43/940152743.db2.gz VNPQUQTVPRVYLF-UHFFFAOYSA-N 0 3 371.843 3.745 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000660596541 945299382 /nfs/dbraw/zinc/29/93/82/945299382.db2.gz DTYMNKIRXKMVLY-UHFFFAOYSA-N 0 3 356.297 3.833 20 30 FHEDHN N#C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1cccc(Cl)c1Cl ZINC000612652621 940203316 /nfs/dbraw/zinc/20/33/16/940203316.db2.gz XJMDTJYQMKZWRK-HOCLYGCPSA-N 0 3 352.265 3.549 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)SCC(=O)N3)s1 ZINC000685808676 940284405 /nfs/dbraw/zinc/28/44/05/940284405.db2.gz CVWNQDDEQWSWIS-LLVKDONJSA-N 0 3 371.487 3.975 20 30 FHEDHN N#CC(C(=O)CCCSc1ccc(Cl)cc1)C(=O)N1CCCC1 ZINC000124685968 945318880 /nfs/dbraw/zinc/31/88/80/945318880.db2.gz VDWUVAICQZBHEN-HNNXBMFYSA-N 0 3 350.871 3.544 20 30 FHEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)CCN1Cc1ccccc1 ZINC000581334500 940499549 /nfs/dbraw/zinc/49/95/49/940499549.db2.gz YTBPIZVINQEVFC-KSSFIOAISA-N 0 3 368.868 3.996 20 30 FHEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000066510521 940594555 /nfs/dbraw/zinc/59/45/55/940594555.db2.gz QXIDUXOPIFKCSE-LRDDRELGSA-N 0 3 366.383 3.967 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2OC(F)F)CC1 ZINC000174059672 940699282 /nfs/dbraw/zinc/69/92/82/940699282.db2.gz PDQSCNMBHYEJFQ-UHFFFAOYSA-N 0 3 357.376 3.589 20 30 FHEDHN CN(CCN(Cc1ccccc1)C(=O)c1c[nH]c(C#N)c1)Cc1ccccc1 ZINC000540907533 940755549 /nfs/dbraw/zinc/75/55/49/940755549.db2.gz FURFBSSKCORZTF-UHFFFAOYSA-N 0 3 372.472 3.661 20 30 FHEDHN COc1cc(N[C@@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)cc(OC)c1 ZINC001167772102 945357123 /nfs/dbraw/zinc/35/71/23/945357123.db2.gz GGXWDWBQMFTHHN-LJQANCHMSA-N 0 3 365.477 3.960 20 30 FHEDHN CC1CCC(N2CCN(C(=O)c3cccc(SCC#N)c3)CC2)CC1 ZINC000175976087 940961734 /nfs/dbraw/zinc/96/17/34/940961734.db2.gz KPUCSMZSGBFJHM-UHFFFAOYSA-N 0 3 357.523 3.639 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCN(C(=O)C3CCCCC3)C2)c([O-])c1 ZINC000255909354 941012261 /nfs/dbraw/zinc/01/22/61/941012261.db2.gz YZLXQNFXIICBIF-MIDMBNTASA-N 0 3 371.525 3.839 20 30 FHEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H](CC2CCC2)c2ccccc2)c1 ZINC000181354542 941132170 /nfs/dbraw/zinc/13/21/70/941132170.db2.gz LCSLRCKEARIBNW-NRFANRHFSA-N 0 3 368.502 3.853 20 30 FHEDHN N#Cc1cccc(COc2cccc(CN[C@H]3CCCC(F)(F)[C@@H]3O)c2)c1 ZINC000414538748 941376107 /nfs/dbraw/zinc/37/61/07/941376107.db2.gz QXLFHZRDFNZDMN-VQTJNVASSA-N 0 3 372.415 3.776 20 30 FHEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376965840 941480362 /nfs/dbraw/zinc/48/03/62/941480362.db2.gz CFUQXKWNQWYKSX-ZCNNSNEGSA-N 0 3 374.529 3.504 20 30 FHEDHN CC[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000415165359 941647006 /nfs/dbraw/zinc/64/70/06/941647006.db2.gz DXONHCMKISZXLF-NRFANRHFSA-N 0 3 367.468 3.781 20 30 FHEDHN CN(C(=O)OC(C)(C)C)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000178322498 941652424 /nfs/dbraw/zinc/65/24/24/941652424.db2.gz GWXVQORRLWRWFH-UHFFFAOYSA-N 0 3 373.497 3.658 20 30 FHEDHN C=CCC[C@@H](O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000472744622 941663844 /nfs/dbraw/zinc/66/38/44/941663844.db2.gz CJMULIQZIDJEPT-XXBNENTESA-N 0 3 367.489 3.978 20 30 FHEDHN C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)[C@@H](c1ccccc1)N(C)C ZINC000613672612 941693759 /nfs/dbraw/zinc/69/37/59/941693759.db2.gz WAXWMBGPKPAKKX-IERDGZPVSA-N 0 3 360.461 3.586 20 30 FHEDHN C[C@H](NC(=O)c1cc2ccccc2n1CC#N)[C@@H](c1ccccc1)N(C)C ZINC000613672614 941694932 /nfs/dbraw/zinc/69/49/32/941694932.db2.gz WAXWMBGPKPAKKX-KKSFZXQISA-N 0 3 360.461 3.586 20 30 FHEDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000085612650 941803186 /nfs/dbraw/zinc/80/31/86/941803186.db2.gz QCHCLALIYNDWRG-UHFFFAOYSA-N 0 3 356.392 3.629 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(-c3ccco3)nn2C(C)C)CC1 ZINC000433919670 941998216 /nfs/dbraw/zinc/99/82/16/941998216.db2.gz CKROZKPPYMQHTI-UHFFFAOYSA-N 0 3 371.485 3.886 20 30 FHEDHN CCCN(C)[C@@H](CNC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000501859211 942093560 /nfs/dbraw/zinc/09/35/60/942093560.db2.gz OTRQGLPDUHWKDH-INIZCTEOSA-N 0 3 350.894 3.572 20 30 FHEDHN C=CCOc1ccccc1CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000501116596 942317276 /nfs/dbraw/zinc/31/72/76/942317276.db2.gz YLGCKGWIQKPWBD-HXUWFJFHSA-N 0 3 368.521 3.866 20 30 FHEDHN C[C@@H]1CN(Cc2ccccc2CNCc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000421323569 942482061 /nfs/dbraw/zinc/48/20/61/942482061.db2.gz ILIFUWNRHRYNEX-CALCHBBNSA-N 0 3 367.468 3.596 20 30 FHEDHN Cc1ccc(OC[C@@H](O)CN2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000502508217 942485491 /nfs/dbraw/zinc/48/54/91/942485491.db2.gz QCJCKFUDOBPCSC-QFIPXVFZSA-N 0 3 362.473 3.704 20 30 FHEDHN COC(=O)c1cccc(OCCN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502497734 942492263 /nfs/dbraw/zinc/49/22/63/942492263.db2.gz YMMCKYVSWXFFFC-UHFFFAOYSA-N 0 3 362.429 3.513 20 30 FHEDHN C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc(C#N)s1 ZINC000421350185 942502826 /nfs/dbraw/zinc/50/28/26/942502826.db2.gz KTVVAMKOHQLKBO-ZDUSSCGKSA-N 0 3 361.898 3.800 20 30 FHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000378350006 942630461 /nfs/dbraw/zinc/63/04/61/942630461.db2.gz QEYODSOTWVQDEG-KRWDZBQOSA-N 0 3 361.445 3.893 20 30 FHEDHN Cc1c2ccccc2oc1[C@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000183583087 942636465 /nfs/dbraw/zinc/63/64/65/942636465.db2.gz QDVAHADJAOXNLM-DOTOQJQBSA-N 0 3 350.418 3.703 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000502795477 942748565 /nfs/dbraw/zinc/74/85/65/942748565.db2.gz LGUKZMYQTBHDQZ-INIZCTEOSA-N 0 3 368.308 3.930 20 30 FHEDHN C=CCOc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000414547361 942763625 /nfs/dbraw/zinc/76/36/25/942763625.db2.gz ZGLKCQYFNOYRCR-QFIPXVFZSA-N 0 3 367.489 3.871 20 30 FHEDHN N#Cc1ccc(NC(=O)CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000378528363 942865223 /nfs/dbraw/zinc/86/52/23/942865223.db2.gz SUAYQCIOXUPHNU-UZLBHIALSA-N 0 3 369.852 3.518 20 30 FHEDHN N#Cc1ccc(NC(=O)CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000378528361 942865595 /nfs/dbraw/zinc/86/55/95/942865595.db2.gz SUAYQCIOXUPHNU-OXJNMPFZSA-N 0 3 369.852 3.518 20 30 FHEDHN C=CCN1CCC(NC(=O)NCCCc2ccc(Cl)cc2Cl)CC1 ZINC000472995455 942877727 /nfs/dbraw/zinc/87/77/27/942877727.db2.gz APBRTJUQUXMQNF-UHFFFAOYSA-N 0 3 370.324 3.876 20 30 FHEDHN Cc1cc(C)c(C#N)c(SC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000430098487 942909916 /nfs/dbraw/zinc/90/99/16/942909916.db2.gz DCGIBMCBDHJFNW-LJQANCHMSA-N 0 3 367.518 3.953 20 30 FHEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000505589717 943102736 /nfs/dbraw/zinc/10/27/36/943102736.db2.gz APBBGEBTOPEUBR-HRAATJIYSA-N 0 3 368.477 3.681 20 30 FHEDHN C=CCOc1ccc(CN2CCC(c3ccnn3CC)CC2)cc1OC ZINC000435040414 943106197 /nfs/dbraw/zinc/10/61/97/943106197.db2.gz LLSJTQRFECZOGM-UHFFFAOYSA-N 0 3 355.482 3.856 20 30 FHEDHN CC1CCN([C@H](CNC(=O)N2CCC(C)(C#N)CC2)c2cccs2)CC1 ZINC000272416201 943152394 /nfs/dbraw/zinc/15/23/94/943152394.db2.gz MLXCPKGERZSDJZ-QGZVFWFLSA-N 0 3 374.554 3.856 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000435160475 943216050 /nfs/dbraw/zinc/21/60/50/943216050.db2.gz HYIZGNGUKNAIMW-KDOFPFPSSA-N 0 3 352.413 3.654 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCC[C@]2(C)Cc2ccccc2F)CC1 ZINC000645265809 943263068 /nfs/dbraw/zinc/26/30/68/943263068.db2.gz HTFDCKBVYTVXEO-OAQYLSRUSA-N 0 3 359.489 3.583 20 30 FHEDHN COc1ccn2c(c1)ncc2C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000425305422 943264461 /nfs/dbraw/zinc/26/44/61/943264461.db2.gz AZHFOCVNPBHSGN-LBPRGKRZSA-N 0 3 354.435 3.587 20 30 FHEDHN COc1ccn2c(c1)ncc2C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000425305422 943264463 /nfs/dbraw/zinc/26/44/63/943264463.db2.gz AZHFOCVNPBHSGN-LBPRGKRZSA-N 0 3 354.435 3.587 20 30 FHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000273075579 943269569 /nfs/dbraw/zinc/26/95/69/943269569.db2.gz PJNZGBBSBLCURC-VOBQZIQPSA-N 0 3 373.522 3.567 20 30 FHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273075582 943269849 /nfs/dbraw/zinc/26/98/49/943269849.db2.gz PJNZGBBSBLCURC-XMCHAPAWSA-N 0 3 373.522 3.567 20 30 FHEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000423048131 943368435 /nfs/dbraw/zinc/36/84/35/943368435.db2.gz IEYQSXXLKIUTJI-FQEVSTJZSA-N 0 3 369.509 3.737 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000431924709 943382383 /nfs/dbraw/zinc/38/23/83/943382383.db2.gz KRPIKBVWWQLPLW-HXUWFJFHSA-N 0 3 354.498 3.761 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000503912145 943417134 /nfs/dbraw/zinc/41/71/34/943417134.db2.gz RQNAQEOELPJZRX-ZJVMWOEPSA-N 0 3 353.510 3.914 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000435502343 943458774 /nfs/dbraw/zinc/45/87/74/943458774.db2.gz QTYUSUFHIPZLQC-RBUKOAKNSA-N 0 3 365.562 3.652 20 30 FHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000435728655 943572449 /nfs/dbraw/zinc/57/24/49/943572449.db2.gz OTHPJRVLCJBSOG-KBXCAEBGSA-N 0 3 358.463 3.610 20 30 FHEDHN Cc1ccc(CN(CCc2ccccc2)C(=O)[C@@H](N)CCCC#N)s1 ZINC000424068428 943707035 /nfs/dbraw/zinc/70/70/35/943707035.db2.gz SACAZIJEFBURFT-IBGZPJMESA-N 0 3 355.507 3.649 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000424062470 943715966 /nfs/dbraw/zinc/71/59/66/943715966.db2.gz LAFMPQITBYLCNB-KRWDZBQOSA-N 0 3 373.403 3.838 20 30 FHEDHN COc1ccccc1Oc1ccc(NC(=O)[C@H](N)CCCC#N)cc1F ZINC000424108562 943734339 /nfs/dbraw/zinc/73/43/39/943734339.db2.gz XJIPCKZNGVMSMS-OAHLLOKOSA-N 0 3 357.385 3.586 20 30 FHEDHN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424117545 943740364 /nfs/dbraw/zinc/74/03/64/943740364.db2.gz CKYQCLFVXBWCPS-UZLBHIALSA-N 0 3 365.477 3.903 20 30 FHEDHN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424117541 943740495 /nfs/dbraw/zinc/74/04/95/943740495.db2.gz CKYQCLFVXBWCPS-OXJNMPFZSA-N 0 3 365.477 3.903 20 30 FHEDHN Cc1cccc(COc2ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc2)c1 ZINC000424117941 943740914 /nfs/dbraw/zinc/74/09/14/943740914.db2.gz ZJWNLJXNGOTFQR-DYESRHJHSA-N 0 3 365.477 3.772 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000424130800 943758718 /nfs/dbraw/zinc/75/87/18/943758718.db2.gz HYDMWIIEDACMAW-QGZVFWFLSA-N 0 3 356.857 3.912 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000162448984 943769573 /nfs/dbraw/zinc/76/95/73/943769573.db2.gz KWDNBKVCTWMPDH-NVXWUHKLSA-N 0 3 372.465 3.861 20 30 FHEDHN C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(CC2CC2)CC1 ZINC000516873880 943784707 /nfs/dbraw/zinc/78/47/07/943784707.db2.gz UZGVWCKPHOUTJV-UHFFFAOYSA-N 0 3 369.488 3.501 20 30 FHEDHN C=CCc1cc(CN(CC)Cc2ccc3c(c2)OCO3)cc(OC)c1O ZINC000506050445 943813756 /nfs/dbraw/zinc/81/37/56/943813756.db2.gz AWUQXBLNBVZTJG-UHFFFAOYSA-N 0 3 355.434 3.880 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2cn(-c3ccccc3)nc2C(C)C)CC1 ZINC000424651612 944035311 /nfs/dbraw/zinc/03/53/11/944035311.db2.gz PFTDBARUSVQGMI-UHFFFAOYSA-N 0 3 366.509 3.766 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000437735232 944065186 /nfs/dbraw/zinc/06/51/86/944065186.db2.gz SBOIFAHFBPQRBF-RUCARUNLSA-N 0 3 361.917 3.926 20 30 FHEDHN CC1CCN([C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)c2cccs2)CC1 ZINC000517218147 944112046 /nfs/dbraw/zinc/11/20/46/944112046.db2.gz DCDDMCCYYLQMAB-BZSNNMDCSA-N 0 3 374.554 3.903 20 30 FHEDHN COC(=O)[C@@H]1CN(CCCCC(C)(C)C#N)C[C@H]1c1ccc(F)cc1F ZINC000425508235 944157250 /nfs/dbraw/zinc/15/72/50/944157250.db2.gz IPKMETXRHXFUIX-DLBZAZTESA-N 0 3 364.436 3.873 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000436312996 944191837 /nfs/dbraw/zinc/19/18/37/944191837.db2.gz LCHQDXCLRJWLFP-WTANOLMUSA-N 0 3 360.889 3.861 20 30 FHEDHN COC(=O)[C@@H]1CN([C@H](C)c2cccc(C#N)c2)C[C@H]1c1ccc(F)cc1F ZINC000425515530 944196969 /nfs/dbraw/zinc/19/69/69/944196969.db2.gz XIVREPJJOHVLOB-ZNZDAUKMSA-N 0 3 370.399 3.786 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000517341263 944219291 /nfs/dbraw/zinc/21/92/91/944219291.db2.gz JXWYSALUIAJNNI-FPOVZHCZSA-N 0 3 355.526 3.738 20 30 FHEDHN CCCN(C)[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000425549124 944302516 /nfs/dbraw/zinc/30/25/16/944302516.db2.gz NPETVSDJQNDMNC-QGTPRVQTSA-N 0 3 362.905 3.714 20 30 FHEDHN CC1CCN([C@H](CNC(=O)c2cccc(CC#N)c2)c2ccccc2)CC1 ZINC000515983543 944394997 /nfs/dbraw/zinc/39/49/97/944394997.db2.gz VXKUEPSBDNEXQF-JOCHJYFZSA-N 0 3 361.489 3.956 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2cccnc2Nc2ccccc2F)CC1 ZINC000518496123 944441785 /nfs/dbraw/zinc/44/17/85/944441785.db2.gz KDSCVXAXELHKCC-UHFFFAOYSA-N 0 3 368.456 3.735 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc3ccccc3c2)CC1 ZINC000518510840 944455102 /nfs/dbraw/zinc/45/51/02/944455102.db2.gz DOOQBIXAHOZHFF-UHFFFAOYSA-N 0 3 351.494 3.722 20 30 FHEDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000123885283 944490021 /nfs/dbraw/zinc/49/00/21/944490021.db2.gz MKPCQEKCPKNHPD-UHFFFAOYSA-N 0 3 369.896 3.848 20 30 FHEDHN C=CCC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1)c1ccco1 ZINC000436746355 944586298 /nfs/dbraw/zinc/58/62/98/944586298.db2.gz YHKOOUAIFWUTJZ-GOSISDBHSA-N 0 3 354.450 3.887 20 30 FHEDHN C=CCN1CCC(NC(=O)c2cc(CCc3ccccc3)ccc2O)CC1 ZINC000436767066 944617371 /nfs/dbraw/zinc/61/73/71/944617371.db2.gz FXEABZIRVZRMPR-UHFFFAOYSA-N 0 3 364.489 3.558 20 30 FHEDHN C=CCOc1ccccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506248630 944668972 /nfs/dbraw/zinc/66/89/72/944668972.db2.gz XOCLWPRNLBFKFX-UHFFFAOYSA-N 0 3 361.489 3.831 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCOCc2ccccc2)cc1 ZINC000140321849 944739155 /nfs/dbraw/zinc/73/91/55/944739155.db2.gz SDUDNKZFHMLOAW-HXUWFJFHSA-N 0 3 364.445 3.893 20 30 FHEDHN CC(C)[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)N1CCCCC1 ZINC000517893967 944804732 /nfs/dbraw/zinc/80/47/32/944804732.db2.gz ZKNHZEKNAYRSHS-JOCHJYFZSA-N 0 3 361.489 3.930 20 30 FHEDHN CC(C)(C)[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000507018823 944866482 /nfs/dbraw/zinc/86/64/82/944866482.db2.gz AARJIFHGTPARIX-FQEVSTJZSA-N 0 3 353.441 3.691 20 30 FHEDHN CCCCCCCCC(=O)N1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001270163253 944967117 /nfs/dbraw/zinc/96/71/17/944967117.db2.gz AGMPZOCPFHPPAO-OAQYLSRUSA-N 0 3 360.546 3.975 20 30 FHEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000426155577 945041682 /nfs/dbraw/zinc/04/16/82/945041682.db2.gz YSHQSRJDGJDJPH-QGZVFWFLSA-N 0 3 368.868 3.998 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000664901470 945533028 /nfs/dbraw/zinc/53/30/28/945533028.db2.gz DIVRBODNLVDOJE-ZVDOUQERSA-N 0 3 371.525 3.969 20 30 FHEDHN N#CCCC[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000487456860 945731460 /nfs/dbraw/zinc/73/14/60/945731460.db2.gz WYNHTCPWEXBVFM-HXUWFJFHSA-N 0 3 369.509 3.573 20 30 FHEDHN C=CCn1c(CC2CC2)nnc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000508463819 945958575 /nfs/dbraw/zinc/95/85/75/945958575.db2.gz JDWWBAKNLYWENM-UHFFFAOYSA-N 0 3 365.525 3.517 20 30 FHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000440910555 946023238 /nfs/dbraw/zinc/02/32/38/946023238.db2.gz JDTLKEXNCMTXLH-OCCSQVGLSA-N 0 3 368.399 3.625 20 30 FHEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)C1 ZINC000661382179 946049212 /nfs/dbraw/zinc/04/92/12/946049212.db2.gz UBFIICRIABJQPY-IEBWSBKVSA-N 0 3 372.509 3.655 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCCC[C@@H](SC)C1 ZINC000441112637 946221106 /nfs/dbraw/zinc/22/11/06/946221106.db2.gz LMNDJFZKVFCJGJ-JKSUJKDBSA-N 0 3 352.569 3.869 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2c3c(ccc2Cl)CC(C)(C)O3)CC1 ZINC000579189643 946247861 /nfs/dbraw/zinc/24/78/61/946247861.db2.gz FMPXMGIXLBVOFH-UHFFFAOYSA-N 0 3 363.889 3.825 20 30 FHEDHN FC(F)(F)Oc1ccc(C#CCN2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441274242 946386861 /nfs/dbraw/zinc/38/68/61/946386861.db2.gz BQDZRXDFMOOFMJ-DLBZAZTESA-N 0 3 353.384 3.685 20 30 FHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCOc2ccccc2F)c1 ZINC000125517179 946413212 /nfs/dbraw/zinc/41/32/12/946413212.db2.gz XLCYUFFRHIMNDW-MRXNPFEDSA-N 0 3 354.381 3.641 20 30 FHEDHN Cc1cc(C#N)cc(C)c1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000896991565 946415360 /nfs/dbraw/zinc/41/53/60/946415360.db2.gz BIZHUOLLKIMEJM-QGZVFWFLSA-N 0 3 362.477 3.526 20 30 FHEDHN Cc1cc(C#N)cc(C)c1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000896991564 946415871 /nfs/dbraw/zinc/41/58/71/946415871.db2.gz BIZHUOLLKIMEJM-KRWDZBQOSA-N 0 3 362.477 3.526 20 30 FHEDHN N#CC1CCC(CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000441344431 946492911 /nfs/dbraw/zinc/49/29/11/946492911.db2.gz DBKLTJLYVSZJRA-UHFFFAOYSA-N 0 3 364.280 3.994 20 30 FHEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)CCC(F)(F)F)sc2C1 ZINC000104677972 946509870 /nfs/dbraw/zinc/50/98/70/946509870.db2.gz AXXJNGYONKQECI-NSHDSACASA-N 0 3 373.444 3.957 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)/C=C/c1ccccc1C#N)c1ccsc1 ZINC000029415139 946524104 /nfs/dbraw/zinc/52/41/04/946524104.db2.gz BXGJLTHHAYBSPT-YXBWYFRISA-N 0 3 353.491 3.832 20 30 FHEDHN CSC1(CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000897056855 946543605 /nfs/dbraw/zinc/54/36/05/946543605.db2.gz YMKOMMMRTZBQMK-YUMQZZPRSA-N 0 3 369.321 3.985 20 30 FHEDHN Cc1cc(C#N)ccc1CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000186200179 946599899 /nfs/dbraw/zinc/59/98/99/946599899.db2.gz QZOTXFHIMMSBQY-UHFFFAOYSA-N 0 3 359.433 3.691 20 30 FHEDHN C=CCC1(NCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CCCC1 ZINC000661865570 946791566 /nfs/dbraw/zinc/79/15/66/946791566.db2.gz RFUHPWITHFJVMU-UHFFFAOYSA-N 0 3 373.453 3.741 20 30 FHEDHN N#CC(C(=O)CSCc1cccc(Cl)c1)C(=O)NC1CCCCC1 ZINC000127281870 946834556 /nfs/dbraw/zinc/83/45/56/946834556.db2.gz KVLSFOMOIXXGEC-INIZCTEOSA-N 0 3 364.898 3.731 20 30 FHEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000113329042 946928050 /nfs/dbraw/zinc/92/80/50/946928050.db2.gz CPUNYQATUJYIAA-INIZCTEOSA-N 0 3 350.418 3.506 20 30 FHEDHN CC(C)N1CCN(c2cccc(NC(=O)[C@]3(C)CCC(=O)NC3)c2)CC1 ZINC000328639177 946962603 /nfs/dbraw/zinc/96/26/03/946962603.db2.gz DPFRUBMIRNZLBX-HXUWFJFHSA-N 0 3 358.486 3.562 20 30 FHEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)CN1Cc1ccccc1 ZINC000328693005 946990940 /nfs/dbraw/zinc/99/09/40/946990940.db2.gz CKBMEEMDUXTNNF-HOJAQTOUSA-N 0 3 371.525 3.502 20 30 FHEDHN N#CC(C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1ccccn1 ZINC000049457431 947074870 /nfs/dbraw/zinc/07/48/70/947074870.db2.gz XQBQVLQFBPJYDE-QGZVFWFLSA-N 0 3 371.375 3.687 20 30 FHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000444645083 947087452 /nfs/dbraw/zinc/08/74/52/947087452.db2.gz WVFBTAZOKUMSEY-MJGOQNOKSA-N 0 3 371.525 3.874 20 30 FHEDHN CN1Cc2ccccc2[C@@H](NC2CCC(C#N)(c3ccccc3)CC2)C1=O ZINC000598942049 947185374 /nfs/dbraw/zinc/18/53/74/947185374.db2.gz KRUIZJBSKHIOIM-YUVVGHDESA-N 0 3 359.473 3.693 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)N(C)C)cc1 ZINC000330518332 947189140 /nfs/dbraw/zinc/18/91/40/947189140.db2.gz OPBLIKIBGYMTJE-QYZOEREBSA-N 0 3 361.530 3.695 20 30 FHEDHN C=CC[C@H]1N(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CCCC1(C)C ZINC000444778115 947213518 /nfs/dbraw/zinc/21/35/18/947213518.db2.gz HNGCGNIIUZXJEC-TZIWHRDSSA-N 0 3 369.553 3.696 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000662080882 947214887 /nfs/dbraw/zinc/21/48/87/947214887.db2.gz NDJJUXFWEROXGZ-QKLQHJQFSA-N 0 3 370.493 3.550 20 30 FHEDHN C=CCN1CCC(Nc2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000301394313 947325064 /nfs/dbraw/zinc/32/50/64/947325064.db2.gz KIPPWTBRPVAWQO-UHFFFAOYSA-N 0 3 358.392 3.770 20 30 FHEDHN CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000331004096 947331774 /nfs/dbraw/zinc/33/17/74/947331774.db2.gz YHDCPSZGXPPUAV-CYBMUJFWSA-N 0 3 364.559 3.841 20 30 FHEDHN CC(=O)N1CC[C@@H](N[C@H](C)c2cccc(C#N)c2)c2ccc(F)cc2C1 ZINC000184535184 947470551 /nfs/dbraw/zinc/47/05/51/947470551.db2.gz NHPMBQWAYQKISG-SPLOXXLWSA-N 0 3 351.425 3.841 20 30 FHEDHN C[C@@H](N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000093918843 947525437 /nfs/dbraw/zinc/52/54/37/947525437.db2.gz CHUYWGJXZCIKHZ-JKSUJKDBSA-N 0 3 353.441 3.904 20 30 FHEDHN C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000520128037 948420478 /nfs/dbraw/zinc/42/04/78/948420478.db2.gz RECYEXWTYBWMGV-JOCHJYFZSA-N 0 3 363.505 3.701 20 30 FHEDHN N#CC(C(=O)C=Cc1cncc(F)c1)c1nc2ccccc2n1C(F)F ZINC000178988145 948436312 /nfs/dbraw/zinc/43/63/12/948436312.db2.gz SYIPCQACFTUPFV-URWSZGRFSA-N 0 3 356.307 3.855 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2c(F)ccc(C)c2Br)CC1 ZINC000279074404 948467580 /nfs/dbraw/zinc/46/75/80/948467580.db2.gz RDWXZMXAWHTACR-UHFFFAOYSA-N 0 3 369.278 3.667 20 30 FHEDHN C=CCN1CCC(NC(=O)c2oc3ccccc3c2COC(C)C)CC1 ZINC000520682751 948579835 /nfs/dbraw/zinc/57/98/35/948579835.db2.gz NBSLFVWZZVYGJQ-UHFFFAOYSA-N 0 3 356.466 3.738 20 30 FHEDHN N#Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000109548406 209309160 /nfs/dbraw/zinc/30/91/60/209309160.db2.gz KBVNMHMQUIBZCF-LJQANCHMSA-N 0 3 373.378 3.951 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000062373096 567950108 /nfs/dbraw/zinc/95/01/08/567950108.db2.gz MPQILHGNRCNQGT-UHFFFAOYSA-N 0 3 374.847 3.946 20 30 FHEDHN Cc1nccn1-c1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1F ZINC000602520711 567987219 /nfs/dbraw/zinc/98/72/19/567987219.db2.gz IXEQDSIWCBVQDL-HNNXBMFYSA-N 0 3 356.445 3.508 20 30 FHEDHN CCOc1cc(CN[C@H](C)CC2(C#N)CCOCC2)ccc1OC(F)F ZINC000602520810 567987221 /nfs/dbraw/zinc/98/72/21/567987221.db2.gz MNFOJULVHHEZRH-CQSZACIVSA-N 0 3 368.424 3.875 20 30 FHEDHN CC[C@H](C)C(=O)Nc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602522246 567987316 /nfs/dbraw/zinc/98/73/16/567987316.db2.gz SMMUVMPVRLBEOG-IRXDYDNUSA-N 0 3 357.498 3.860 20 30 FHEDHN COc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1Br ZINC000602528246 567988016 /nfs/dbraw/zinc/98/80/16/567988016.db2.gz QSFASZLGJOXLFX-ZDUSSCGKSA-N 0 3 367.287 3.646 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccnc(OC2CCCCC2)c1 ZINC000602531238 567988415 /nfs/dbraw/zinc/98/84/15/567988415.db2.gz GDLJMJADYPYNKX-QGZVFWFLSA-N 0 3 357.498 3.982 20 30 FHEDHN COc1ccc(Br)cc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602545208 567990082 /nfs/dbraw/zinc/99/00/82/567990082.db2.gz VEUVXLHLHWYZLR-ZDUSSCGKSA-N 0 3 367.287 3.646 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(COCC(F)(F)F)c1 ZINC000602580399 567993612 /nfs/dbraw/zinc/99/36/12/567993612.db2.gz GMLLZRKGZRPURK-HNNXBMFYSA-N 0 3 370.415 3.954 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000602581578 567993797 /nfs/dbraw/zinc/99/37/97/567993797.db2.gz USEASPKQESMWOK-HOTGVXAUSA-N 0 3 354.454 3.529 20 30 FHEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602586123 567994411 /nfs/dbraw/zinc/99/44/11/567994411.db2.gz ZMEMTQVRPGKJEB-HZPDHXFCSA-N 0 3 371.378 3.919 20 30 FHEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(OC[C@@H]2CCCO2)c1 ZINC000602567551 567995826 /nfs/dbraw/zinc/99/58/26/567995826.db2.gz FPFCXYVODGEDJO-QUCCMNQESA-N 0 3 372.509 3.741 20 30 FHEDHN CN1CC[C@H](NCC(C)(C)C#N)C[C@@H]1c1ccc(Br)cc1 ZINC000602617658 567998167 /nfs/dbraw/zinc/99/81/67/567998167.db2.gz YRTFUQFZTQQVRH-JKSUJKDBSA-N 0 3 350.304 3.724 20 30 FHEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481530652 568016552 /nfs/dbraw/zinc/01/65/52/568016552.db2.gz SKYHKVLRESRGTM-VBKZILBWSA-N 0 3 374.868 3.965 20 30 FHEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1Br ZINC000602750120 568029737 /nfs/dbraw/zinc/02/97/37/568029737.db2.gz BNEINGLXVQQMIU-CQSZACIVSA-N 0 3 351.288 3.946 20 30 FHEDHN COC(=O)c1cc(C2CCN(Cc3ccccc3C(C)(C)C#N)CC2)no1 ZINC000603000487 568044043 /nfs/dbraw/zinc/04/40/43/568044043.db2.gz BDBKGSIGFHEFBJ-UHFFFAOYSA-N 0 3 367.449 3.642 20 30 FHEDHN Cc1cc(C#N)cc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000568597461 568074724 /nfs/dbraw/zinc/07/47/24/568074724.db2.gz DCWSPJJCPCYIOI-SFTDATJTSA-N 0 3 374.488 3.853 20 30 FHEDHN C[C@@H](Cn1ncc2ccccc2c1=O)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000481647058 568080088 /nfs/dbraw/zinc/08/00/88/568080088.db2.gz ZKMZZBAGQDYCDO-AOMKIAJQSA-N 0 3 372.472 3.714 20 30 FHEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)CC2CCCCC2)cc1 ZINC000603457164 568104470 /nfs/dbraw/zinc/10/44/70/568104470.db2.gz UTMBTONOEBTDIU-UHFFFAOYSA-N 0 3 357.498 3.844 20 30 FHEDHN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CCCCN1C1CCCC1 ZINC000330288522 568131046 /nfs/dbraw/zinc/13/10/46/568131046.db2.gz DBTYJXCJTSPALP-MJGOQNOKSA-N 0 3 373.472 3.685 20 30 FHEDHN CCc1ccc(CN(C[C@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000603845742 568157194 /nfs/dbraw/zinc/15/71/94/568157194.db2.gz NKQFMVLSVQRTJO-QFIPXVFZSA-N 0 3 364.489 3.719 20 30 FHEDHN C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000330308179 568222082 /nfs/dbraw/zinc/22/20/82/568222082.db2.gz SPBNQXGRJQXKJK-KXBFYZLASA-N 0 3 358.442 3.638 20 30 FHEDHN C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000330308179 568222083 /nfs/dbraw/zinc/22/20/83/568222083.db2.gz SPBNQXGRJQXKJK-KXBFYZLASA-N 0 3 358.442 3.638 20 30 FHEDHN Cc1csc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1C#N ZINC000568930355 568253491 /nfs/dbraw/zinc/25/34/91/568253491.db2.gz YBWQYJYBRUSYDT-UHFFFAOYSA-N 0 3 368.506 3.711 20 30 FHEDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C1(CC)CC ZINC000482145119 568285153 /nfs/dbraw/zinc/28/51/53/568285153.db2.gz CPOLVUDXJOPECU-SJORKVTESA-N 0 3 363.889 3.724 20 30 FHEDHN CC(C)CN(CCc1ccc(F)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000604500709 568301685 /nfs/dbraw/zinc/30/16/85/568301685.db2.gz KPARMFMJRBNLIF-UHFFFAOYSA-N 0 3 359.489 3.669 20 30 FHEDHN CC(C)[C@H](NCc1cc(C#N)ccc1Br)C1(CO)CCC1 ZINC000570586639 568496215 /nfs/dbraw/zinc/49/62/15/568496215.db2.gz WFAYLMTYOOKTPB-INIZCTEOSA-N 0 3 351.288 3.598 20 30 FHEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CCOc2ccccc21)C(C)C ZINC000605128115 568580171 /nfs/dbraw/zinc/58/01/71/568580171.db2.gz XJURCHPFUDDINP-AZUAARDMSA-N 0 3 356.510 3.758 20 30 FHEDHN C=CCC[C@H](CCC)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823894091 608287562 /nfs/dbraw/zinc/28/75/62/608287562.db2.gz HGBIYVCMBSKGFO-AOCRQIFASA-N 0 3 370.501 3.676 20 30 FHEDHN C=CCC[C@H](CCC)[NH2+]C1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823894091 608287563 /nfs/dbraw/zinc/28/75/63/608287563.db2.gz HGBIYVCMBSKGFO-AOCRQIFASA-N 0 3 370.501 3.676 20 30 FHEDHN N#Cc1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164627288 719057787 /nfs/dbraw/zinc/05/77/87/719057787.db2.gz QKYHWXQRQAGPLK-IEBWSBKVSA-N 0 3 352.869 3.707 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)c2ccccc2)c1 ZINC000160149923 927045328 /nfs/dbraw/zinc/04/53/28/927045328.db2.gz QIPPHLHVLTUTLP-BEFAXECRSA-N 0 3 350.418 3.926 20 30 FHEDHN N#CC(C(=O)CCCOc1ccccc1Br)c1ccccn1 ZINC000049458173 927068595 /nfs/dbraw/zinc/06/85/95/927068595.db2.gz HBLSESIXMYMELY-CYBMUJFWSA-N 0 3 359.223 3.880 20 30 FHEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3nccs3)n2)cc1 ZINC000179471298 928776590 /nfs/dbraw/zinc/77/65/90/928776590.db2.gz ABQLNOUGYLEKOQ-GFCCVEGCSA-N 0 3 356.432 3.521 20 30 FHEDHN O=C1C=C2CN(Cc3cc(Cl)ccc3Br)CCC2S1 ZINC001137523838 929112482 /nfs/dbraw/zinc/11/24/82/929112482.db2.gz KMAXXSUCVHTKCT-ZDUSSCGKSA-N 0 3 358.688 3.877 20 30 FHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000165178619 929195305 /nfs/dbraw/zinc/19/53/05/929195305.db2.gz TYDXQUKFAVHPEN-KRWDZBQOSA-N 0 3 368.452 3.525 20 30 FHEDHN C=CCc1ccc(OCC(=O)Nc2cccc(CN(C)C)c2)c(OC)c1 ZINC000047453277 929587992 /nfs/dbraw/zinc/58/79/92/929587992.db2.gz VNDJWGVWSRIFCA-UHFFFAOYSA-N 0 3 354.450 3.503 20 30 FHEDHN COc1cccc(SCCN2CCCN(c3ccccc3C#N)CC2)c1 ZINC001167318897 929758149 /nfs/dbraw/zinc/75/81/49/929758149.db2.gz XPSXSZKTJNGFLN-UHFFFAOYSA-N 0 3 367.518 3.871 20 30 FHEDHN Cc1cc(F)ccc1N1CCC[C@H](N[C@H](C)c2cccc(C#N)c2)C1=O ZINC000610346466 930056809 /nfs/dbraw/zinc/05/68/09/930056809.db2.gz VKQXFDKWTONACB-BEFAXECRSA-N 0 3 351.425 3.852 20 30 FHEDHN C[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000610347789 930057457 /nfs/dbraw/zinc/05/74/57/930057457.db2.gz XJVXYBHNNUVAGY-UTKZUKDTSA-N 0 3 362.477 3.756 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@H]([S@@](=O)CC)C2)c([O-])c1 ZINC000175896354 930258068 /nfs/dbraw/zinc/25/80/68/930258068.db2.gz DMODYGNBNOFCLO-RWQIHWOWSA-N 0 3 350.528 3.737 20 30 FHEDHN C=C[C@](C)(O)CC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000583411119 937419032 /nfs/dbraw/zinc/41/90/32/937419032.db2.gz VZZCTEAJVSGQOG-AEFFLSMTSA-N 0 3 372.431 3.532 20 30 FHEDHN O=C(C[C@@H]1CCCN(CC#Cc2ccccc2)C1)NCc1ccc(F)cc1 ZINC000580308533 930467358 /nfs/dbraw/zinc/46/73/58/930467358.db2.gz JZQQKUCXVPMZMQ-NRFANRHFSA-N 0 3 364.464 3.596 20 30 FHEDHN CCOc1cc(C#N)ccc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000579530996 930490615 /nfs/dbraw/zinc/49/06/15/930490615.db2.gz QGSNQGVYHLWEHT-FQEVSTJZSA-N 0 3 366.461 3.627 20 30 FHEDHN Cc1cccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000610432906 930531910 /nfs/dbraw/zinc/53/19/10/930531910.db2.gz JPVRPVRMMAYREE-UHFFFAOYSA-N 0 3 368.506 3.663 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]\C2CCN(Cc3ccccn3)CC2)c([O-])c1 ZINC000255267377 931562588 /nfs/dbraw/zinc/56/25/88/931562588.db2.gz RFIHRJFJDNSVMK-JLPGSUDCSA-N 0 3 366.509 3.717 20 30 FHEDHN C=CCn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000581218860 931694612 /nfs/dbraw/zinc/69/46/12/931694612.db2.gz BIBCPYQMOPRAKM-PMACEKPBSA-N 0 3 365.525 3.679 20 30 FHEDHN COCCOc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430614099 932284254 /nfs/dbraw/zinc/28/42/54/932284254.db2.gz YCUOOHCMFCXHKR-HNNXBMFYSA-N 0 3 358.463 3.956 20 30 FHEDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000548212071 932636657 /nfs/dbraw/zinc/63/66/57/932636657.db2.gz WMVGUWZXPJQWIJ-SJLPKXTDSA-N 0 3 369.490 3.847 20 30 FHEDHN C=CCN(Cc1cccs1)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000051262528 932760380 /nfs/dbraw/zinc/76/03/80/932760380.db2.gz FSHRYTDLUMCXPI-KRWDZBQOSA-N 0 3 355.507 3.764 20 30 FHEDHN CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000178178757 932762002 /nfs/dbraw/zinc/76/20/02/932762002.db2.gz BNTSPNYEJRHPNQ-OXQOHEQNSA-N 0 3 365.477 3.827 20 30 FHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000187662192 934026631 /nfs/dbraw/zinc/02/66/31/934026631.db2.gz XPKLTQPKUFWVCU-KRWDZBQOSA-N 0 3 359.473 3.921 20 30 FHEDHN COC(=O)COc1ccc(CN(C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000187739171 934200111 /nfs/dbraw/zinc/20/01/11/934200111.db2.gz ZEBVNCICQPMOJM-UHFFFAOYSA-N 0 3 366.461 3.672 20 30 FHEDHN C[C@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000510979451 934247886 /nfs/dbraw/zinc/24/78/86/934247886.db2.gz OQTVNJWTCSEQKJ-LPHOPBHVSA-N 0 3 365.452 3.582 20 30 FHEDHN C[C@@H](N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000510979453 934247909 /nfs/dbraw/zinc/24/79/09/934247909.db2.gz OQTVNJWTCSEQKJ-VQIMIIECSA-N 0 3 365.452 3.582 20 30 FHEDHN N#Cc1ccccc1Cn1cccc1CNCc1ccccc1-n1ccnc1 ZINC000187712542 934863342 /nfs/dbraw/zinc/86/33/42/934863342.db2.gz SYQKKIGGSJMHCX-UHFFFAOYSA-N 0 3 367.456 3.884 20 30 FHEDHN COc1ccc2c(c1)CCCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000538715241 934897146 /nfs/dbraw/zinc/89/71/46/934897146.db2.gz PNNHOFZDBZSVJN-UHFFFAOYSA-N 0 3 372.472 3.916 20 30 FHEDHN C[C@H](c1cccc(Cl)c1)N(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000051425868 935246788 /nfs/dbraw/zinc/24/67/88/935246788.db2.gz RKGKYHQVSMBFRL-BEFAXECRSA-N 0 3 358.869 3.839 20 30 FHEDHN CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2)N(C)C)cc1 ZINC000562023670 935375433 /nfs/dbraw/zinc/37/54/33/935375433.db2.gz PNRKCZHRTQRREB-HXUWFJFHSA-N 0 3 366.465 3.770 20 30 FHEDHN C[C@@H](c1ccncc1)N1CCC(N=Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000158272022 935478017 /nfs/dbraw/zinc/47/80/17/935478017.db2.gz BAPQWQZFPLHLSD-WTJYETQFSA-N 0 3 360.461 3.980 20 30 FHEDHN CC(C)(C#N)CCCCN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000277737460 935868451 /nfs/dbraw/zinc/86/84/51/935868451.db2.gz OQBYQLJTVHLDDC-QGZVFWFLSA-N 0 3 355.404 3.716 20 30 FHEDHN CSc1ccc(O[C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000158713482 935930686 /nfs/dbraw/zinc/93/06/86/935930686.db2.gz LRIZXCJWWYKHHY-SUMWQHHRSA-N 0 3 354.431 3.523 20 30 FHEDHN N#CCOc1cccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000077747687 936054298 /nfs/dbraw/zinc/05/42/98/936054298.db2.gz WCXIMLZHOYUMFD-FQEVSTJZSA-N 0 3 364.449 3.548 20 30 FHEDHN CN(CCc1cnccn1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000277870593 936064973 /nfs/dbraw/zinc/06/49/73/936064973.db2.gz YOEMOINNOFYXLK-UHFFFAOYSA-N 0 3 356.473 3.851 20 30 FHEDHN CN(CCC#N)c1ccc(CNCc2ccc(N3CCCCC3)nc2)cc1 ZINC000078460989 936166644 /nfs/dbraw/zinc/16/66/44/936166644.db2.gz JNKRQWOJCMQCNX-UHFFFAOYSA-N 0 3 363.509 3.712 20 30 FHEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000329275937 938312239 /nfs/dbraw/zinc/31/22/39/938312239.db2.gz BVSKDZLZKKTXJS-UZLBHIALSA-N 0 3 352.482 3.846 20 30 FHEDHN N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000583640147 938335187 /nfs/dbraw/zinc/33/51/87/938335187.db2.gz CDBPJCXAVLBCCW-QGZVFWFLSA-N 0 3 368.868 3.652 20 30 FHEDHN C=CCC[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000278395317 938383421 /nfs/dbraw/zinc/38/34/21/938383421.db2.gz AYUGFOSPGDYOQE-NQIIRXRSSA-N 0 3 371.525 3.589 20 30 FHEDHN CC[C@@H](C)c1ccccc1OCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000128151187 938453195 /nfs/dbraw/zinc/45/31/95/938453195.db2.gz DPHDXHNJWUMMJT-CRAIPNDOSA-N 0 3 350.418 3.926 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000536162032 938482033 /nfs/dbraw/zinc/48/20/33/938482033.db2.gz YCBCSQDLWINQOH-HXUWFJFHSA-N 0 3 359.489 3.925 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000516737521 945196058 /nfs/dbraw/zinc/19/60/58/945196058.db2.gz HBYXIINKOKKEQO-SFHVURJKSA-N 0 3 358.526 3.850 20 30 FHEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CCCC1 ZINC000052908625 938655030 /nfs/dbraw/zinc/65/50/30/938655030.db2.gz HQMNDADTXWXPET-UHFFFAOYSA-N 0 3 368.481 3.821 20 30 FHEDHN CC[C@@H](NCc1ccc(OC)c(OCCCC#N)c1)c1c(C)nn(C)c1C ZINC000525695831 938683920 /nfs/dbraw/zinc/68/39/20/938683920.db2.gz CTHUMWUWQORGGU-GOSISDBHSA-N 0 3 370.497 3.969 20 30 FHEDHN C[C@@H]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000472327416 938970914 /nfs/dbraw/zinc/97/09/14/938970914.db2.gz LRUITVSBZWJVIB-VMRPVKRXSA-N 0 3 354.425 3.520 20 30 FHEDHN C(=NOCc1ncc(-c2ccccc2)o1)c1ccc(N2CCOCC2)cc1 ZINC000255657481 939037996 /nfs/dbraw/zinc/03/79/96/939037996.db2.gz PXMJOWLLQRBCQW-UHFFFAOYSA-N 0 3 363.417 3.729 20 30 FHEDHN CC1CCN([C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)c2ccccc2)CC1 ZINC000612114433 939078954 /nfs/dbraw/zinc/07/89/54/939078954.db2.gz FZEVWOAWDQQYIE-IRLDBZIGSA-N 0 3 368.525 3.795 20 30 FHEDHN C=CCCC1(CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CCCC1 ZINC000658294389 939101276 /nfs/dbraw/zinc/10/12/76/939101276.db2.gz NAXVNLGUSAOTAZ-UHFFFAOYSA-N 0 3 371.525 3.638 20 30 FHEDHN CN(Cc1cccc(OCCCC#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000179471951 939167440 /nfs/dbraw/zinc/16/74/40/939167440.db2.gz GFJCSRZWWOOPCX-SFHVURJKSA-N 0 3 373.497 3.810 20 30 FHEDHN CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000425791491 945260187 /nfs/dbraw/zinc/26/01/87/945260187.db2.gz UOSUBQDYEPFXHQ-TXPKVOOTSA-N 0 3 368.481 3.983 20 30 FHEDHN C=CCN1CCC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000519271063 945263133 /nfs/dbraw/zinc/26/31/33/945263133.db2.gz LXIMGUJAQTYRSN-UHFFFAOYSA-N 0 3 354.475 3.688 20 30 FHEDHN C[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000364682818 939982127 /nfs/dbraw/zinc/98/21/27/939982127.db2.gz QGVLIFSNTNQPKG-HNNXBMFYSA-N 0 3 374.444 3.581 20 30 FHEDHN Cc1nc(C2CCC2)sc1CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000892494374 940054231 /nfs/dbraw/zinc/05/42/31/940054231.db2.gz DFLRBDCIONDQER-HNNXBMFYSA-N 0 3 353.447 3.609 20 30 FHEDHN C=CCSCCN[C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185968530 940062130 /nfs/dbraw/zinc/06/21/30/940062130.db2.gz RZVXZXPXTJLRPD-ZWKOTPCHSA-N 0 3 353.553 3.589 20 30 FHEDHN C=CCSCCN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185968565 940062585 /nfs/dbraw/zinc/06/25/85/940062585.db2.gz RZVXZXPXTJLRPD-QZTJIDSGSA-N 0 3 353.553 3.589 20 30 FHEDHN C=CCSCCN[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185968578 940063374 /nfs/dbraw/zinc/06/33/74/940063374.db2.gz RZVXZXPXTJLRPD-MSOLQXFVSA-N 0 3 353.553 3.589 20 30 FHEDHN CC1(C)CO[C@H](CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000892497386 940070010 /nfs/dbraw/zinc/07/00/10/940070010.db2.gz ZAYYZHGCXQLEMR-VXGBXAGGSA-N 0 3 369.248 3.846 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)CC1 ZINC000660597931 945300291 /nfs/dbraw/zinc/30/02/91/945300291.db2.gz SURJIOJQIDJPNZ-IBGZPJMESA-N 0 3 357.498 3.947 20 30 FHEDHN N#C[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1cccc(Cl)c1Cl ZINC000612652622 940203222 /nfs/dbraw/zinc/20/32/22/940203222.db2.gz XJMDTJYQMKZWRK-ZBFHGGJFSA-N 0 3 352.265 3.549 20 30 FHEDHN N#C[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1cccc(Cl)c1Cl ZINC000612652619 940203309 /nfs/dbraw/zinc/20/33/09/940203309.db2.gz XJMDTJYQMKZWRK-GDBMZVCRSA-N 0 3 352.265 3.549 20 30 FHEDHN COc1csc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000177601489 940309871 /nfs/dbraw/zinc/30/98/71/940309871.db2.gz UYIIIZBWSQQBIM-JTQLQIEISA-N 0 3 352.774 3.510 20 30 FHEDHN C=CCC(C)(C)CNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000458805562 940490252 /nfs/dbraw/zinc/49/02/52/940490252.db2.gz AUULAJQVGPEMQI-ROUUACIJSA-N 0 3 365.562 3.510 20 30 FHEDHN Cc1cc(C(C#N)C(=O)c2ccnc(OCc3ccccc3)c2)nc(C)n1 ZINC000066506484 940509600 /nfs/dbraw/zinc/50/96/00/940509600.db2.gz IJCOJEWAXGJIJM-GOSISDBHSA-N 0 3 358.401 3.558 20 30 FHEDHN CC(C)(C)CC(=O)NCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000066510146 940594068 /nfs/dbraw/zinc/59/40/68/940594068.db2.gz SCARQGAAPKEHMZ-CQSZACIVSA-N 0 3 355.463 3.539 20 30 FHEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)cc1Br ZINC000613388525 940657019 /nfs/dbraw/zinc/65/70/19/940657019.db2.gz AXXQGMZDHGVHKN-ACJLOTCBSA-N 0 3 359.267 3.575 20 30 FHEDHN N#CC(C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1 ZINC000124904991 945341505 /nfs/dbraw/zinc/34/15/05/945341505.db2.gz IRRYTWXAYQDBBR-CYBMUJFWSA-N 0 3 353.249 3.647 20 30 FHEDHN C=C(C)[C@H](NC[C@@H](O)COCc1cccs1)c1ccc(F)c(F)c1 ZINC000187791590 940732666 /nfs/dbraw/zinc/73/26/66/940732666.db2.gz ZXMMXIXZMNOSRL-KDOFPFPSSA-N 0 3 353.434 3.811 20 30 FHEDHN COc1cc(C#N)ccc1CN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000582574917 940734079 /nfs/dbraw/zinc/73/40/79/940734079.db2.gz PURMBJWWNORBAI-AZUAARDMSA-N 0 3 355.869 3.755 20 30 FHEDHN CC[C@H](c1ccncc1)N(C)CC#CCN(C)[C@H](CC)c1ccncc1 ZINC000472565985 940833011 /nfs/dbraw/zinc/83/30/11/940833011.db2.gz CNIOMZXABPAWIM-FGZHOGPDSA-N 0 3 350.510 3.946 20 30 FHEDHN CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186307790 940980068 /nfs/dbraw/zinc/98/00/68/940980068.db2.gz MBCAIYUDSRZLBB-JOCHJYFZSA-N 0 3 373.500 3.978 20 30 FHEDHN C[Si](C)(C)C#Cc1cc(Cl)cnc1-n1nc(CN)c2ccccc21 ZINC001167697432 941004072 /nfs/dbraw/zinc/00/40/72/941004072.db2.gz YSVXOUKKIBMPQO-UHFFFAOYSA-N 0 3 354.917 3.762 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc(Cn3ccnn3)c2)s1 ZINC000659115463 941086258 /nfs/dbraw/zinc/08/62/58/941086258.db2.gz YULGEDGBWIFRBF-HNNXBMFYSA-N 0 3 365.462 3.570 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(N3CCOC3=O)cc2)c([O-])c1 ZINC000782879453 941147532 /nfs/dbraw/zinc/14/75/32/941147532.db2.gz FSPOGZFBUQDRIX-JCMHNJIXSA-N 0 3 367.449 3.814 20 30 FHEDHN N#CC(CCN1CCC2(CCOC2=O)CC1)(c1ccccc1)c1ccccc1 ZINC000376632914 941369299 /nfs/dbraw/zinc/36/92/99/941369299.db2.gz BDFFAFCPVJLWDL-UHFFFAOYSA-N 0 3 374.484 3.915 20 30 FHEDHN C=CCCCCCCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000377044823 941502496 /nfs/dbraw/zinc/50/24/96/941502496.db2.gz QVPALWLLHWOFNN-PMACEKPBSA-N 0 3 358.530 3.852 20 30 FHEDHN CC[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000414903594 941505703 /nfs/dbraw/zinc/50/57/03/941505703.db2.gz KDONRHORRXMHQR-OAQYLSRUSA-N 0 3 367.468 3.781 20 30 FHEDHN C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H](C)CN1 ZINC000415033200 941556346 /nfs/dbraw/zinc/55/63/46/941556346.db2.gz GSLKNXAXBQSOCX-HUUCEWRRSA-N 0 3 350.422 3.565 20 30 FHEDHN C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)CN1 ZINC000415154508 941636574 /nfs/dbraw/zinc/63/65/74/941636574.db2.gz YBIWQVLXAZVKLS-CABCVRRESA-N 0 3 350.422 3.565 20 30 FHEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccccc1I ZINC000472747868 941667865 /nfs/dbraw/zinc/66/78/65/941667865.db2.gz IBBRFHFRHXGFTC-CJNGLKHVSA-N 0 3 371.262 3.755 20 30 FHEDHN COC(=O)C[C@@](C)(NCCC(C)(C)C#N)c1ccc(Br)cc1 ZINC000513161719 941695479 /nfs/dbraw/zinc/69/54/79/941695479.db2.gz UYUOZYCAIHJZLP-QGZVFWFLSA-N 0 3 367.287 3.757 20 30 FHEDHN C#CCN1CCC(C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC1 ZINC000729418961 941748692 /nfs/dbraw/zinc/74/86/92/941748692.db2.gz GLTSUFKZFWNOCX-UHFFFAOYSA-N 0 3 367.320 3.732 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000377569464 941816220 /nfs/dbraw/zinc/81/62/20/941816220.db2.gz WANUYKKJJQUOCS-HXUWFJFHSA-N 0 3 356.514 3.749 20 30 FHEDHN C[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc2n[nH]cc2c1 ZINC000513416906 941913484 /nfs/dbraw/zinc/91/34/84/941913484.db2.gz RLHSFXNKMDTGIG-WZHMAMEKSA-N 0 3 367.497 3.533 20 30 FHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCOC[C@H](C)C3)sc2C1 ZINC000328672509 941961518 /nfs/dbraw/zinc/96/15/18/941961518.db2.gz IFQPGKYSDUMVJE-ZIAGYGMSSA-N 0 3 361.511 3.691 20 30 FHEDHN C=C(C)[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1 ZINC000433910398 941980188 /nfs/dbraw/zinc/98/01/88/941980188.db2.gz FLBINSRRSNCRJE-APWZRJJASA-N 0 3 363.452 3.898 20 30 FHEDHN C[C@H]1COCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000328700499 941995399 /nfs/dbraw/zinc/99/53/99/941995399.db2.gz WESZLRHIZQBWQC-CQSZACIVSA-N 0 3 361.511 3.835 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C(=C)C)c2ccc(F)c(F)c2)CC1 ZINC000187836922 942233091 /nfs/dbraw/zinc/23/30/91/942233091.db2.gz OKNXVUORXKSGQG-IBGZPJMESA-N 0 3 363.452 3.922 20 30 FHEDHN CN(C)[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000419412714 942258719 /nfs/dbraw/zinc/25/87/19/942258719.db2.gz JKNVJCVUMRJJGM-LEWJYISDSA-N 0 3 362.477 3.538 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000106329502 942313253 /nfs/dbraw/zinc/31/32/53/942313253.db2.gz TZYOPTFPGQFQEA-HXUWFJFHSA-N 0 3 353.466 3.709 20 30 FHEDHN N#CCC[C@H](C#N)CNC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000549408713 942492854 /nfs/dbraw/zinc/49/28/54/942492854.db2.gz QLGLEQABGTWXAG-MRXNPFEDSA-N 0 3 364.415 3.703 20 30 FHEDHN COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1ccc(C#N)s1 ZINC000421348110 942501220 /nfs/dbraw/zinc/50/12/20/942501220.db2.gz FAMXTXZPMIDZRZ-NSHDSACASA-N 0 3 363.870 3.789 20 30 FHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(O)c2nc(C)ccc12 ZINC000513890605 942581785 /nfs/dbraw/zinc/58/17/85/942581785.db2.gz QGHYSBYWVMCYDR-UHFFFAOYSA-N 0 3 361.445 3.769 20 30 FHEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC(C)(C)C#N ZINC000501733921 942640606 /nfs/dbraw/zinc/64/06/06/942640606.db2.gz HYMZVCCCRBTCCU-UHFFFAOYSA-N 0 3 355.404 3.535 20 30 FHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC(C)(C)C#N ZINC000501752936 942653712 /nfs/dbraw/zinc/65/37/12/942653712.db2.gz OFVLLZQSAUKASB-UHFFFAOYSA-N 0 3 355.404 3.535 20 30 FHEDHN CCOC(=O)CC1(NCc2ccc(C#N)cc2OC(F)F)CCCC1 ZINC000434611912 942796514 /nfs/dbraw/zinc/79/65/14/942796514.db2.gz MCWAWZCRQBISHG-UHFFFAOYSA-N 0 3 352.381 3.515 20 30 FHEDHN C=CCOc1ccc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC000549446580 942956855 /nfs/dbraw/zinc/95/68/55/942956855.db2.gz OGRURZFFGNSLCL-UHFFFAOYSA-N 0 3 360.461 3.997 20 30 FHEDHN Fc1ccc(CNCCOCC(F)(F)C(F)F)cc1C(F)(F)F ZINC000434796532 942959778 /nfs/dbraw/zinc/95/97/78/942959778.db2.gz UVLPHXFCYHXMAI-UHFFFAOYSA-N 0 3 351.237 3.851 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)Cc1c(F)cccc1C#N)c1ccsc1 ZINC000505534850 942986399 /nfs/dbraw/zinc/98/63/99/942986399.db2.gz ZFWFNJAGGGLIRX-GOSISDBHSA-N 0 3 359.470 3.501 20 30 FHEDHN C[C@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(OCC#N)cc1 ZINC000271901627 943067889 /nfs/dbraw/zinc/06/78/89/943067889.db2.gz VQVFXTUTVIUGBK-KRWDZBQOSA-N 0 3 350.466 3.825 20 30 FHEDHN C[C@H]1Cc2ccccc2CN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435126770 943181435 /nfs/dbraw/zinc/18/14/35/943181435.db2.gz QSZHHCCQCMWTAM-KRWDZBQOSA-N 0 3 357.461 3.806 20 30 FHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000273075577 943269775 /nfs/dbraw/zinc/26/97/75/943269775.db2.gz PJNZGBBSBLCURC-UAOJZALGSA-N 0 3 373.522 3.567 20 30 FHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000435728658 943572407 /nfs/dbraw/zinc/57/24/07/943572407.db2.gz OTHPJRVLCJBSOG-RDTXWAMCSA-N 0 3 358.463 3.610 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Br)cc(OC)cc1OC ZINC000435752430 943586115 /nfs/dbraw/zinc/58/61/15/943586115.db2.gz XXUXQBMNJQRSME-PXAZEXFGSA-N 0 3 370.287 3.537 20 30 FHEDHN C=CCC[C@H](NC(=O)N(CCN(C)C)Cc1ccccn1)c1ccccc1 ZINC000435763056 943596838 /nfs/dbraw/zinc/59/68/38/943596838.db2.gz KOUHHYDAMHTHCJ-NRFANRHFSA-N 0 3 366.509 3.862 20 30 FHEDHN N#CCCC[C@@H](NCC(=O)NC1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000515279393 943608340 /nfs/dbraw/zinc/60/83/40/943608340.db2.gz CQDJYXMUJRTLSP-QXIGDHTLSA-N 0 3 365.521 3.952 20 30 FHEDHN N#CC(C(=O)c1cccc2[nH]c(=O)oc21)c1nc2ccccc2n1C(F)F ZINC000504542181 943666093 /nfs/dbraw/zinc/66/60/93/943666093.db2.gz ROYMXMHJVUKGKG-JTQLQIEISA-N 0 3 368.299 3.768 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000424084364 943720979 /nfs/dbraw/zinc/72/09/79/943720979.db2.gz YDZRIYYHSYJTHH-INIZCTEOSA-N 0 3 364.474 3.847 20 30 FHEDHN CC(C)(C)c1cc(NC(=O)[C@H](N)CCCC#N)n(-c2cccc(Cl)c2)n1 ZINC000424092958 943728505 /nfs/dbraw/zinc/72/85/05/943728505.db2.gz IIIQGJJSNMXUPN-OAHLLOKOSA-N 0 3 373.888 3.783 20 30 FHEDHN Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@H](N)CCCC#N)s1 ZINC000424093010 943728570 /nfs/dbraw/zinc/72/85/70/943728570.db2.gz QGFQEYUTGGGSNN-OAHLLOKOSA-N 0 3 362.886 3.655 20 30 FHEDHN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000424127091 943746316 /nfs/dbraw/zinc/74/63/16/943746316.db2.gz AGFDXNQVLDMOTI-MRXNPFEDSA-N 0 3 367.497 3.746 20 30 FHEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424149918 943753052 /nfs/dbraw/zinc/75/30/52/943753052.db2.gz XVMMNMQGXZPHIN-HOCLYGCPSA-N 0 3 356.495 3.659 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000424162220 943768404 /nfs/dbraw/zinc/76/84/04/943768404.db2.gz YFJCNCVHHJDYEI-KRWDZBQOSA-N 0 3 368.308 3.796 20 30 FHEDHN C=CCOc1ccc(CN(Cc2cnc(N(C)C)nc2)C(C)(C)C)cc1 ZINC000506052194 943819145 /nfs/dbraw/zinc/81/91/45/943819145.db2.gz WBADHWDPMDVJPK-UHFFFAOYSA-N 0 3 354.498 3.908 20 30 FHEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)nn1 ZINC000424290960 943822494 /nfs/dbraw/zinc/82/24/94/943822494.db2.gz CWRBVIFBRBEIFJ-DLBZAZTESA-N 0 3 350.388 3.909 20 30 FHEDHN C=CCN1CC[C@H](N(C)[C@H](CC)c2ccc(Br)cc2)C1=O ZINC000500017300 943955869 /nfs/dbraw/zinc/95/58/69/943955869.db2.gz UHWGZJLORHMRLQ-CVEARBPZSA-N 0 3 351.288 3.619 20 30 FHEDHN COc1ncccc1NC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000505750861 943980567 /nfs/dbraw/zinc/98/05/67/943980567.db2.gz NEICZMQIUFCQOY-AWEZNQCLSA-N 0 3 364.430 3.768 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOCCc1ccccc1 ZINC000123042603 944005761 /nfs/dbraw/zinc/00/57/61/944005761.db2.gz KUMHEMUTHYFYRD-GOSISDBHSA-N 0 3 361.445 3.789 20 30 FHEDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418001314 944049218 /nfs/dbraw/zinc/04/92/18/944049218.db2.gz WWWOTBOVLFLYDS-ZACQAIPSSA-N 0 3 362.477 3.678 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000437709046 944050236 /nfs/dbraw/zinc/05/02/36/944050236.db2.gz KBYZZUTYOQGLLA-DOTOQJQBSA-N 0 3 368.308 3.799 20 30 FHEDHN COC(=O)[C@@H](C)Oc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418140243 944199572 /nfs/dbraw/zinc/19/95/72/944199572.db2.gz FNRNISRBUGPETG-QVKFZJNVSA-N 0 3 364.445 3.666 20 30 FHEDHN COc1ccc([C@H]2CCCN2CCOc2ccc(C#N)cc2)c(OC)c1 ZINC000015366989 944407250 /nfs/dbraw/zinc/40/72/50/944407250.db2.gz WISITUGXPSELMI-HXUWFJFHSA-N 0 3 352.434 3.791 20 30 FHEDHN C[C@H](OC[C@@H](O)CN(C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000046836067 944455662 /nfs/dbraw/zinc/45/56/62/944455662.db2.gz NQNWGHYGFVRXOW-YWZLYKJASA-N 0 3 358.869 3.782 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(NC(=O)CCC)c2)CC1 ZINC000518513525 944458585 /nfs/dbraw/zinc/45/85/85/944458585.db2.gz COCGXONHUPGYHQ-UHFFFAOYSA-N 0 3 358.486 3.587 20 30 FHEDHN CC1(C)CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@H]1O ZINC000438349351 944513222 /nfs/dbraw/zinc/51/32/22/944513222.db2.gz XVIUZNDYNPKVLR-OAQYLSRUSA-N 0 3 350.462 3.730 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000429801365 944735276 /nfs/dbraw/zinc/73/52/76/944735276.db2.gz LXWVJYQWZNFZMD-KBPBESRZSA-N 0 3 355.507 3.932 20 30 FHEDHN N#CC(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000518805806 944785960 /nfs/dbraw/zinc/78/59/60/944785960.db2.gz XCQCZDMQWIEASZ-GFCCVEGCSA-N 0 3 374.278 3.969 20 30 FHEDHN C=CCc1cc(CN(C)C[C@@H]2OCCc3ccccc32)cc(OC)c1O ZINC000511669850 944896100 /nfs/dbraw/zinc/89/61/00/944896100.db2.gz DTZZYOJGWLTQNH-NRFANRHFSA-N 0 3 353.462 3.875 20 30 FHEDHN CC(C)Oc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)N(C)C)cc1 ZINC000516507636 944956079 /nfs/dbraw/zinc/95/60/79/944956079.db2.gz ZISFAJFYJVTFSU-FQEVSTJZSA-N 0 3 368.437 3.968 20 30 FHEDHN N#Cc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c(Cl)c1 ZINC000426131212 944989915 /nfs/dbraw/zinc/98/99/15/944989915.db2.gz NNMUMKNOGUPBGH-QGZVFWFLSA-N 0 3 368.868 3.998 20 30 FHEDHN C=C(Cc1ccccc1)C(=O)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001270170964 945022086 /nfs/dbraw/zinc/02/20/86/945022086.db2.gz BFBVCSHNWDIJKM-UHFFFAOYSA-N 0 3 366.427 3.662 20 30 FHEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426157901 945035750 /nfs/dbraw/zinc/03/57/50/945035750.db2.gz ZFJXNLSQQZOHJK-UHFFFAOYSA-N 0 3 362.886 3.869 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc2n[nH]cc2c1 ZINC000507230557 945052135 /nfs/dbraw/zinc/05/21/35/945052135.db2.gz OJWKSBPLXBXWCZ-HUUCEWRRSA-N 0 3 368.506 3.878 20 30 FHEDHN C[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)N(C)Cc1ccccc1 ZINC000426160762 945053336 /nfs/dbraw/zinc/05/33/36/945053336.db2.gz KQOYZWHNUMTHQX-CQSZACIVSA-N 0 3 356.857 3.854 20 30 FHEDHN CC(C)c1ccc2c(c1)[C@@H](NC([O-])=[NH+][C@@H]1CCn3ccnc3C1)CCC2 ZINC000330183135 945391931 /nfs/dbraw/zinc/39/19/31/945391931.db2.gz HSEAAFAALWKPGW-MJGOQNOKSA-N 0 3 352.482 3.903 20 30 FHEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccccc1Br ZINC000330258638 945429314 /nfs/dbraw/zinc/42/93/14/945429314.db2.gz MQJPCSISNARLHJ-VQISRLSMSA-N 0 3 353.260 3.583 20 30 FHEDHN Cc1nc2c(n1[C@@H]1CCN(CC(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330349980 945639235 /nfs/dbraw/zinc/63/92/35/945639235.db2.gz KNVWFJNKTPGYPT-VMWRSERWSA-N 0 3 358.530 3.852 20 30 FHEDHN Cc1ccc([C@@H](CN2CCOCC2)N[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000519735094 945697928 /nfs/dbraw/zinc/69/79/28/945697928.db2.gz OLFGMLGDBOFGFX-DHIUTWEWSA-N 0 3 361.489 3.517 20 30 FHEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000661116503 945748769 /nfs/dbraw/zinc/74/87/69/945748769.db2.gz YQMOAXHIAKJZJR-CRAIPNDOSA-N 0 3 363.465 3.746 20 30 FHEDHN C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000520067352 946089244 /nfs/dbraw/zinc/08/92/44/946089244.db2.gz ISHACINXEIAXKQ-OAQYLSRUSA-N 0 3 351.494 3.996 20 30 FHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1CCC(C#N)CC1 ZINC000441020887 946122883 /nfs/dbraw/zinc/12/28/83/946122883.db2.gz JOXZENRSVRHGDR-GRERDSQWSA-N 0 3 370.541 3.772 20 30 FHEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccc(Cl)c(Cl)c2)cc1 ZINC000594729986 946132672 /nfs/dbraw/zinc/13/26/72/946132672.db2.gz ACWMEMKXQVPCQU-OAHLLOKOSA-N 0 3 365.260 3.589 20 30 FHEDHN CS[C@H]1CCCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000441136227 946260518 /nfs/dbraw/zinc/26/05/18/946260518.db2.gz VGKJKQYGOFPJQR-ISXWCOSWSA-N 0 3 351.560 3.523 20 30 FHEDHN COc1cccc(CN(CCOc2ccc(C#N)cc2)C[C@H]2CCCO2)c1 ZINC000520392222 946535825 /nfs/dbraw/zinc/53/58/25/946535825.db2.gz RZDGUHJGSJDDRN-JOCHJYFZSA-N 0 3 366.461 3.627 20 30 FHEDHN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000475271436 946805728 /nfs/dbraw/zinc/80/57/28/946805728.db2.gz XFWKJOPJLSMWQN-XJKSGUPXSA-N 0 3 363.387 3.631 20 30 FHEDHN C=CCOc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000475322683 946859239 /nfs/dbraw/zinc/85/92/39/946859239.db2.gz RBDZZJCPGATFHN-HXUWFJFHSA-N 0 3 350.462 3.598 20 30 FHEDHN CN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475309794 946863714 /nfs/dbraw/zinc/86/37/14/946863714.db2.gz YJQBLBZJWYAGPI-LJQANCHMSA-N 0 3 365.502 3.649 20 30 FHEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475311110 946865517 /nfs/dbraw/zinc/86/55/17/946865517.db2.gz GWUYPHWTTLWQIK-UHFFFAOYSA-N 0 3 367.468 3.831 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475322895 946899097 /nfs/dbraw/zinc/89/90/97/946899097.db2.gz UJCCNOBLCKGFFY-UHFFFAOYSA-N 0 3 374.488 3.563 20 30 FHEDHN N#CCCn1cc(CNCc2ccc3ncccc3c2)c(-c2ccncc2)n1 ZINC000475349950 946923201 /nfs/dbraw/zinc/92/32/01/946923201.db2.gz JBDDLOLDCAJRTG-UHFFFAOYSA-N 0 3 368.444 3.697 20 30 FHEDHN C=C(C)C[N@H+](CCCOc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC001573293693 946965756 /nfs/dbraw/zinc/96/57/56/946965756.db2.gz GNYRODVZEOHTEV-UHFFFAOYSA-N 0 3 363.465 3.714 20 30 FHEDHN C=C(C)C[N@@H+](CCCOc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC001573293693 946965759 /nfs/dbraw/zinc/96/57/59/946965759.db2.gz GNYRODVZEOHTEV-UHFFFAOYSA-N 0 3 363.465 3.714 20 30 FHEDHN C#CCN1CCC(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000066922195 946997359 /nfs/dbraw/zinc/99/73/59/946997359.db2.gz VXEGMXUUGGVHPI-UHFFFAOYSA-N 0 3 358.913 3.613 20 30 FHEDHN COC(=O)c1ccc(N2CCN(CCCCC(C)(C)C#N)[C@@H](C)C2)cc1 ZINC000444607277 947034079 /nfs/dbraw/zinc/03/40/79/947034079.db2.gz IHEFTFUQXMGKRN-KRWDZBQOSA-N 0 3 357.498 3.704 20 30 FHEDHN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)c1 ZINC000328941301 947095334 /nfs/dbraw/zinc/09/53/34/947095334.db2.gz FGVKMVHYWOANGQ-GMLUQMLDSA-N 0 3 360.498 3.532 20 30 FHEDHN N#Cc1ccc(CN2CCCN(c3ccnc(-c4ccccc4)n3)CC2)cc1 ZINC000511956811 947144701 /nfs/dbraw/zinc/14/47/01/947144701.db2.gz KTJICTYHCPCGFY-UHFFFAOYSA-N 0 3 369.472 3.728 20 30 FHEDHN COc1cc(Cl)c(C(=O)NCCN2CCCC(C)(C)C2)cc1OC ZINC000330960888 947317119 /nfs/dbraw/zinc/31/71/19/947317119.db2.gz JITMTKARTLLUAD-UHFFFAOYSA-N 0 3 354.878 3.784 20 30 FHEDHN CCN1CCCC[C@H]1CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC ZINC000330963065 947318403 /nfs/dbraw/zinc/31/84/03/947318403.db2.gz GOWNWMGQSNZUHD-AWEZNQCLSA-N 0 3 364.559 3.983 20 30 FHEDHN COc1cc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000440611893 947359102 /nfs/dbraw/zinc/35/91/02/947359102.db2.gz LTVTXUCFNMHXBI-PKOBYXMFSA-N 0 3 360.816 3.979 20 30 FHEDHN CN(C)C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000549616278 948072402 /nfs/dbraw/zinc/07/24/02/948072402.db2.gz KLJLVJZGUWXVEU-KRWDZBQOSA-N 0 3 362.260 3.898 20 30 FHEDHN CCN(CC)C(=O)c1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000236815355 948231348 /nfs/dbraw/zinc/23/13/48/948231348.db2.gz JPEMUQCBXQIZPH-QGZVFWFLSA-N 0 3 365.477 3.749 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2sc(C)nc2CC(C)C)CC1 ZINC000135453541 948425215 /nfs/dbraw/zinc/42/52/15/948425215.db2.gz KRYULGODWUNWMX-UHFFFAOYSA-N 0 3 350.532 3.812 20 30 FHEDHN C=CCN1CCC(NC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)CC1 ZINC000520687663 948584678 /nfs/dbraw/zinc/58/46/78/948584678.db2.gz OESYDQGEKXEPGY-UHFFFAOYSA-N 0 3 373.884 3.520 20 30 FHEDHN CCN1CCN(c2ccc(N[C@@H](C)CC3(C#N)CCOCC3)c(C)c2)CC1 ZINC000602493895 567986438 /nfs/dbraw/zinc/98/64/38/567986438.db2.gz NBSHVLXNRSFHCI-IBGZPJMESA-N 0 3 370.541 3.648 20 30 FHEDHN C[C@@H](CCC#N)CN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000602515216 567986580 /nfs/dbraw/zinc/98/65/80/567986580.db2.gz OOZDYOCMUXOOHR-YOEHRIQHSA-N 0 3 367.415 3.898 20 30 FHEDHN CC[C@@H](C)C(=O)Nc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602522247 567987333 /nfs/dbraw/zinc/98/73/33/567987333.db2.gz SMMUVMPVRLBEOG-SJORKVTESA-N 0 3 357.498 3.860 20 30 FHEDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602504109 567988519 /nfs/dbraw/zinc/98/85/19/567988519.db2.gz SFADUSHGKQKLQJ-MRXNPFEDSA-N 0 3 352.482 3.678 20 30 FHEDHN C=C(C)[C@@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1ccc(F)c(F)c1 ZINC000186843802 567991434 /nfs/dbraw/zinc/99/14/34/567991434.db2.gz LULLCGUFROMUJJ-QGZVFWFLSA-N 0 3 351.441 3.708 20 30 FHEDHN C=C(C)CN1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602539329 567992764 /nfs/dbraw/zinc/99/27/64/567992764.db2.gz JRDSQZRRANBRHR-UHFFFAOYSA-N 0 3 374.304 3.549 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(COC2CCOCC2)cc1 ZINC000602583671 567994032 /nfs/dbraw/zinc/99/40/32/567994032.db2.gz SYKZGUQVTLLPAK-SFHVURJKSA-N 0 3 372.509 3.571 20 30 FHEDHN CCOc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1OC(F)F ZINC000602567157 567995686 /nfs/dbraw/zinc/99/56/86/567995686.db2.gz INLJUTYCZUVMSS-AWEZNQCLSA-N 0 3 368.424 3.875 20 30 FHEDHN COCCCOc1cc(C)ccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602574824 567996468 /nfs/dbraw/zinc/99/64/68/567996468.db2.gz DLQPKFCMMBUGLJ-SFHVURJKSA-N 0 3 360.498 3.599 20 30 FHEDHN N#CCc1ccc(CN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)cc1 ZINC000602878968 568003675 /nfs/dbraw/zinc/00/36/75/568003675.db2.gz WWQUBPMJKBHKCR-UHFFFAOYSA-N 0 3 357.461 3.917 20 30 FHEDHN CN1CC[C@@H](NCC2(C#N)CCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000602697157 568016418 /nfs/dbraw/zinc/01/64/18/568016418.db2.gz IOPSNQVQLYQDNI-IAGOWNOFSA-N 0 3 362.315 3.868 20 30 FHEDHN C[C@@H](OC[C@H](O)CNCC#Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000521427684 568018638 /nfs/dbraw/zinc/01/86/38/568018638.db2.gz ONBRWXLZGSMMEX-FOIQADDNSA-N 0 3 361.844 3.559 20 30 FHEDHN CCC[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CCN1CCOC ZINC000568336819 568026169 /nfs/dbraw/zinc/02/61/69/568026169.db2.gz GFYMNHWCHGIIRT-KRWDZBQOSA-N 0 3 369.431 3.510 20 30 FHEDHN Cc1ccc(C[C@H]2CCCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000568548316 568050379 /nfs/dbraw/zinc/05/03/79/568050379.db2.gz ZUWWSXARPNQYHY-GGAORHGYSA-N 0 3 373.500 3.927 20 30 FHEDHN CC[C@@](C)(N)c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603177945 568068224 /nfs/dbraw/zinc/06/82/24/568068224.db2.gz HBMARJUMQPDXSF-OAQYLSRUSA-N 0 3 359.477 3.762 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCNC(=O)c1c(F)cccc1F ZINC000481646450 568080432 /nfs/dbraw/zinc/08/04/32/568080432.db2.gz QCSMRQNZAWHGAX-IBGZPJMESA-N 0 3 369.415 3.624 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCNC(=O)c1ccc(Cl)cc1 ZINC000481669419 568080950 /nfs/dbraw/zinc/08/09/50/568080950.db2.gz VFCRRSZYSZDXLT-HXUWFJFHSA-N 0 3 367.880 3.999 20 30 FHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc(CN(C)C)c2)c1 ZINC000603659087 568134298 /nfs/dbraw/zinc/13/42/98/568134298.db2.gz ZUFRMEOPMLRAHR-UHFFFAOYSA-N 0 3 364.493 3.724 20 30 FHEDHN C[C@@H](NCC(=O)NCc1cccc(C#N)c1)C1(c2ccccc2)CCCC1 ZINC000481826768 568136220 /nfs/dbraw/zinc/13/62/20/568136220.db2.gz YBTVBKAGIDSVHB-GOSISDBHSA-N 0 3 361.489 3.665 20 30 FHEDHN CC(C)N(Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604501463 568301859 /nfs/dbraw/zinc/30/18/59/568301859.db2.gz XLIOMBDFGPADCP-HXUWFJFHSA-N 0 3 356.441 3.542 20 30 FHEDHN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000031619648 568334824 /nfs/dbraw/zinc/33/48/24/568334824.db2.gz ASTXLRROZRUWMI-KRWDZBQOSA-N 0 3 363.461 3.950 20 30 FHEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)[C@@H](C)C2CC2)c1C#N ZINC000569540628 568406654 /nfs/dbraw/zinc/40/66/54/568406654.db2.gz JNZGGWKUBAIBLA-INIZCTEOSA-N 0 3 350.466 3.635 20 30 FHEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)[C@H](C)C2CC2)c1C#N ZINC000569540629 568406671 /nfs/dbraw/zinc/40/66/71/568406671.db2.gz JNZGGWKUBAIBLA-MRXNPFEDSA-N 0 3 350.466 3.635 20 30 FHEDHN C[C@]1(NC(=O)c2cc(C#N)ccc2Cl)CCN(Cc2ccccc2)C1 ZINC000569609707 568409799 /nfs/dbraw/zinc/40/97/99/568409799.db2.gz YKHIPRVJCAYUCJ-FQEVSTJZSA-N 0 3 353.853 3.606 20 30 FHEDHN CCc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)c(F)c2)N(C)C)cc1 ZINC000570764544 568523426 /nfs/dbraw/zinc/52/34/26/568523426.db2.gz WOPAAISOFLGGOG-LJQANCHMSA-N 0 3 354.429 3.684 20 30 FHEDHN N#Cc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cc1 ZINC000737717579 598888190 /nfs/dbraw/zinc/88/81/90/598888190.db2.gz GKGTWRFCCRWGGR-UHFFFAOYSA-N 0 3 372.457 3.757 20 30 FHEDHN C=CCOCCCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000079296316 936384528 /nfs/dbraw/zinc/38/45/28/936384528.db2.gz HJJASYCPTOZKSV-QGZVFWFLSA-N 0 3 350.528 3.620 20 30 FHEDHN CSc1ccccc1[C@@H](C)NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000548786418 937086538 /nfs/dbraw/zinc/08/65/38/937086538.db2.gz NEHDYPZPOYFUOI-WBVHZDCISA-N 0 3 356.491 3.565 20 30 FHEDHN C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000160179645 927095625 /nfs/dbraw/zinc/09/56/25/927095625.db2.gz FIIWNDKGGRIQHA-UWJYYQICSA-N 0 3 366.461 3.864 20 30 FHEDHN C[C@@H](C#N)Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000160179645 927095635 /nfs/dbraw/zinc/09/56/35/927095635.db2.gz FIIWNDKGGRIQHA-UWJYYQICSA-N 0 3 366.461 3.864 20 30 FHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@H](C)c2ccccc2)cc1 ZINC000160194364 927221648 /nfs/dbraw/zinc/22/16/48/927221648.db2.gz RKJNQULSNWCLQB-KXBFYZLASA-N 0 3 350.418 3.926 20 30 FHEDHN CC(C)COc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000430162465 927464781 /nfs/dbraw/zinc/46/47/81/927464781.db2.gz MEBNPQBMIMYUIK-FQEVSTJZSA-N 0 3 351.450 3.641 20 30 FHEDHN C[C@]1(c2ccccc2)CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000510090161 928095902 /nfs/dbraw/zinc/09/59/02/928095902.db2.gz XQPUMTGSFIAMDD-QHCPKHFHSA-N 0 3 361.489 3.618 20 30 FHEDHN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000075843152 929311906 /nfs/dbraw/zinc/31/19/06/929311906.db2.gz MHFUWOVQUALNEP-BUVFEPMLSA-N 0 3 368.452 3.715 20 30 FHEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000583304097 937336537 /nfs/dbraw/zinc/33/65/37/937336537.db2.gz FUESHXWTHCJIDV-KGLIPLIRSA-N 0 3 362.779 3.621 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OCC)c(Cl)c2)CC1 ZINC000583312939 937341024 /nfs/dbraw/zinc/34/10/24/937341024.db2.gz ZKHDCMOHDNYWLB-UHFFFAOYSA-N 0 3 365.905 3.578 20 30 FHEDHN N#Cc1ccc(C2(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC2)cc1 ZINC000187304250 929765813 /nfs/dbraw/zinc/76/58/13/929765813.db2.gz KDJAOPXGSXMLFL-GOSISDBHSA-N 0 3 365.502 3.605 20 30 FHEDHN CN1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000610335107 930007502 /nfs/dbraw/zinc/00/75/02/930007502.db2.gz UQNUTZXEBCTVDW-MRXNPFEDSA-N 0 3 368.412 3.705 20 30 FHEDHN C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348816 930062437 /nfs/dbraw/zinc/06/24/37/930062437.db2.gz LETAOXLHCYJTCI-DYESRHJHSA-N 0 3 362.477 3.583 20 30 FHEDHN C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1cccc(C#N)c1 ZINC000610356381 930109125 /nfs/dbraw/zinc/10/91/25/930109125.db2.gz QNYBMCXJQHACKJ-DYESRHJHSA-N 0 3 362.477 3.756 20 30 FHEDHN N#Cc1csc(CNCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000177693696 930158953 /nfs/dbraw/zinc/15/89/53/930158953.db2.gz ZAZYSHYFKCEWFJ-UHFFFAOYSA-N 0 3 364.268 3.501 20 30 FHEDHN N#CC(C(=O)CCc1ccoc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000175944708 930655844 /nfs/dbraw/zinc/65/58/44/930655844.db2.gz AREFSWLYSVBVML-GFCCVEGCSA-N 0 3 351.189 3.867 20 30 FHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000580495623 930751261 /nfs/dbraw/zinc/75/12/61/930751261.db2.gz DKSZEHPKNPNSPV-MRXNPFEDSA-N 0 3 367.468 3.612 20 30 FHEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000580548851 930839672 /nfs/dbraw/zinc/83/96/72/930839672.db2.gz OHUQVIQNBRESNH-DOTOQJQBSA-N 0 3 370.522 3.968 20 30 FHEDHN CCOCCCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944086 930989782 /nfs/dbraw/zinc/98/97/82/930989782.db2.gz QGZVCLLJJLTGHW-DTORHVGOSA-N 0 3 355.269 3.516 20 30 FHEDHN CCN(CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H]1CCOC(C)(C)C1 ZINC000580678752 931005396 /nfs/dbraw/zinc/00/53/96/931005396.db2.gz ORGZGOSHUSBKIU-IBGZPJMESA-N 0 3 371.525 3.830 20 30 FHEDHN CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1CCCN(C)C1 ZINC000175839091 931089741 /nfs/dbraw/zinc/08/97/41/931089741.db2.gz NDEHTQWQCAXSEV-GOSISDBHSA-N 0 3 365.502 3.876 20 30 FHEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000126416369 931812584 /nfs/dbraw/zinc/81/25/84/931812584.db2.gz NHSYYLKBICYNKL-SJORKVTESA-N 0 3 362.477 3.836 20 30 FHEDHN COc1cc2c(cc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1)OCO2 ZINC000430587909 931965616 /nfs/dbraw/zinc/96/56/16/931965616.db2.gz BIWPBXVWWDQWDB-NSHDSACASA-N 0 3 358.419 3.668 20 30 FHEDHN CSc1ccc([C@@H](CNC(=O)N2CCC(CCC#N)CC2)N(C)C)cc1 ZINC000581426485 932053955 /nfs/dbraw/zinc/05/39/55/932053955.db2.gz VHJNXMLJXCFCSE-LJQANCHMSA-N 0 3 374.554 3.737 20 30 FHEDHN CCc1oc2ccccc2c1CN(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000610556504 932957143 /nfs/dbraw/zinc/95/71/43/932957143.db2.gz JNDIWVAFVFGDIO-KRWDZBQOSA-N 0 3 364.445 3.739 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCCCOC)c2ccccc2)CC1 ZINC000471811073 932993236 /nfs/dbraw/zinc/99/32/36/932993236.db2.gz MZVBCHUBCLKLAO-NRFANRHFSA-N 0 3 373.541 3.884 20 30 FHEDHN N#Cc1ccc([C@H](NCC2(Cc3ccccc3)CCCCC2)C(N)=O)cc1 ZINC000471882672 933452188 /nfs/dbraw/zinc/45/21/88/933452188.db2.gz XCGMVVDLFLYDFK-NRFANRHFSA-N 0 3 361.489 3.867 20 30 FHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000187663578 934031228 /nfs/dbraw/zinc/03/12/28/934031228.db2.gz MKMFLUMBIARSKE-INIZCTEOSA-N 0 3 367.518 3.752 20 30 FHEDHN C[C@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000176091461 934052565 /nfs/dbraw/zinc/05/25/65/934052565.db2.gz FUBOIJRBPXATPH-INIZCTEOSA-N 0 3 366.440 3.826 20 30 FHEDHN C=C(C)COc1cc(CN2CCC[C@H](CNC(=O)CCC)C2)ccc1OC ZINC000092708055 934141847 /nfs/dbraw/zinc/14/18/47/934141847.db2.gz CFFFFMCQOHLMRY-LJQANCHMSA-N 0 3 374.525 3.778 20 30 FHEDHN C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610774854 934158462 /nfs/dbraw/zinc/15/84/62/934158462.db2.gz YCZUIJYRONVLMM-UWJYYQICSA-N 0 3 362.477 3.535 20 30 FHEDHN CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000610830435 934502521 /nfs/dbraw/zinc/50/25/21/934502521.db2.gz STWMUEQTQRCBCG-LSDHHAIUSA-N 0 3 357.479 3.732 20 30 FHEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000611559847 934827263 /nfs/dbraw/zinc/82/72/63/934827263.db2.gz AWACIKSAXQOQJS-VXKWHMMOSA-N 0 3 370.456 3.593 20 30 FHEDHN N#Cc1cc(Br)cnc1NC1CCN(Cc2ccccc2)CC1 ZINC000380943393 935016171 /nfs/dbraw/zinc/01/61/71/935016171.db2.gz NOHIGJMSUXQCJW-UHFFFAOYSA-N 0 3 371.282 3.792 20 30 FHEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)CN1Cc1ccccc1 ZINC000548639843 935097671 /nfs/dbraw/zinc/09/76/71/935097671.db2.gz UHUQQTVARHAMKC-RDTXWAMCSA-N 0 3 353.853 3.604 20 30 FHEDHN C[C@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc(C#N)cc1F ZINC000551393463 935269198 /nfs/dbraw/zinc/26/91/98/935269198.db2.gz ICXFLMBJAPDGNX-PXNSSMCTSA-N 0 3 367.468 3.639 20 30 FHEDHN C[C@H](N[C@H]1CSC[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000551943110 935381952 /nfs/dbraw/zinc/38/19/52/935381952.db2.gz PWTRWAJEARUQKL-XUJVJEKNSA-N 0 3 363.552 3.557 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCCC(C)(C)C#N ZINC000427112285 945097489 /nfs/dbraw/zinc/09/74/89/945097489.db2.gz BCPFUAKEMKMSTB-UHFFFAOYSA-N 0 3 361.559 3.915 20 30 FHEDHN N#CCc1ccsc1C(=O)N[C@H]1c2ccccc2CC[C@@H]1N1CCCC1 ZINC000892260735 935686379 /nfs/dbraw/zinc/68/63/79/935686379.db2.gz CIFONTLYIWYOQQ-OALUTQOASA-N 0 3 365.502 3.696 20 30 FHEDHN N#CC(C(=O)CCCOc1ccccc1Cl)C(=O)Nc1ccccc1 ZINC000127655267 935689832 /nfs/dbraw/zinc/68/98/32/935689832.db2.gz HPSGPMXDYVTXSX-OAHLLOKOSA-N 0 3 356.809 3.847 20 30 FHEDHN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCCC1 ZINC000023708952 935790055 /nfs/dbraw/zinc/79/00/55/935790055.db2.gz SNIGEWRMSWDOJX-IBGZPJMESA-N 0 3 366.421 3.724 20 30 FHEDHN CCOCCOCc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000562085463 935854744 /nfs/dbraw/zinc/85/47/44/935854744.db2.gz SDOTWKFJYWGRRJ-JOCHJYFZSA-N 0 3 350.462 3.888 20 30 FHEDHN CCOCCOCc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000562085472 935858141 /nfs/dbraw/zinc/85/81/41/935858141.db2.gz SDOTWKFJYWGRRJ-QFIPXVFZSA-N 0 3 350.462 3.888 20 30 FHEDHN CC1CCN(CCNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000479892986 935912343 /nfs/dbraw/zinc/91/23/43/935912343.db2.gz PFAKBCPKNISZCN-UHFFFAOYSA-N 0 3 363.461 3.812 20 30 FHEDHN C[C@@H]1[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCN1Cc1ccccc1 ZINC000582805937 936141799 /nfs/dbraw/zinc/14/17/99/936141799.db2.gz UYBAWTNYIVRORO-DYESRHJHSA-N 0 3 359.473 3.635 20 30 FHEDHN Cc1[nH]c2ccccc2c1C1=CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000329301905 938332835 /nfs/dbraw/zinc/33/28/35/938332835.db2.gz NEFSEUCVTSARRK-QGZVFWFLSA-N 0 3 364.493 3.716 20 30 FHEDHN C=C(C)[C@H](NC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000458660417 938388134 /nfs/dbraw/zinc/38/81/34/938388134.db2.gz FPRGRIBNESPFDS-KUHUBIRLSA-N 0 3 363.452 3.708 20 30 FHEDHN C=C(C)[C@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000458660419 938388176 /nfs/dbraw/zinc/38/81/76/938388176.db2.gz FPRGRIBNESPFDS-LIRRHRJNSA-N 0 3 363.452 3.708 20 30 FHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(NC(=O)c3ccncc3)cc1)CC2 ZINC000584023411 938552839 /nfs/dbraw/zinc/55/28/39/938552839.db2.gz MQDIBKCEAXTYEL-QFIPXVFZSA-N 0 3 368.440 3.983 20 30 FHEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(NC(=O)c3ccncc3)cc1)CC2 ZINC000584023410 938552914 /nfs/dbraw/zinc/55/29/14/938552914.db2.gz MQDIBKCEAXTYEL-JOCHJYFZSA-N 0 3 368.440 3.983 20 30 FHEDHN N#Cc1ccc(CN2CCCN(c3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000080765929 938702434 /nfs/dbraw/zinc/70/24/34/938702434.db2.gz FSRDIYOVZNNIFL-UHFFFAOYSA-N 0 3 360.383 3.684 20 30 FHEDHN CC1CCN([C@@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)c2cccs2)CC1 ZINC000612091883 939049556 /nfs/dbraw/zinc/04/95/56/939049556.db2.gz YAMKPTWQTZHEAH-PXNSSMCTSA-N 0 3 374.554 3.856 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c(F)c1 ZINC000179675568 939917656 /nfs/dbraw/zinc/91/76/56/939917656.db2.gz LFEAFCUSHGPNLQ-UHFFFAOYSA-N 0 3 359.832 3.555 20 30 FHEDHN C[C@@]1(C#N)CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000612372525 940029278 /nfs/dbraw/zinc/02/92/78/940029278.db2.gz RBPDNXHZGARCBW-CTNGQTDRSA-N 0 3 354.498 3.549 20 30 FHEDHN Cc1cccc(OCCN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000179891638 940084508 /nfs/dbraw/zinc/08/45/08/940084508.db2.gz LGLPQTYCKDCSTL-UHFFFAOYSA-N 0 3 360.461 3.778 20 30 FHEDHN CN(CCOc1ccccc1F)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179891589 940084531 /nfs/dbraw/zinc/08/45/31/940084531.db2.gz ULYTUINFBSVNNE-UHFFFAOYSA-N 0 3 364.424 3.609 20 30 FHEDHN Cn1cc(CN2CC=C(c3ccc(O)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179893934 940092581 /nfs/dbraw/zinc/09/25/81/940092581.db2.gz JQWZRXLJMHHFNC-UHFFFAOYSA-N 0 3 370.456 3.954 20 30 FHEDHN CCc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC000158931306 940114841 /nfs/dbraw/zinc/11/48/41/940114841.db2.gz XRNMFLIGJFTWLL-UHFFFAOYSA-N 0 3 368.456 3.855 20 30 FHEDHN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000519610118 945317596 /nfs/dbraw/zinc/31/75/96/945317596.db2.gz SHOMNZHWQMQLNM-KCXAZCMYSA-N 0 3 353.388 3.636 20 30 FHEDHN CC[C@H](Cc1ccccc1Br)NCc1nc(C#N)cs1 ZINC000581636569 940509118 /nfs/dbraw/zinc/50/91/18/940509118.db2.gz FMPTXGUVGSBOJA-GFCCVEGCSA-N 0 3 350.285 3.888 20 30 FHEDHN CN1CC[C@@H](NCc2ccc(Br)cc2C#N)[C@H]1c1ccccc1 ZINC000582575249 940737857 /nfs/dbraw/zinc/73/78/57/940737857.db2.gz QFVQAEHSKIVYLG-RTBURBONSA-N 0 3 370.294 3.856 20 30 FHEDHN CCc1onc(C)c1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000330092615 945353112 /nfs/dbraw/zinc/35/31/12/945353112.db2.gz QYFARXPHWWSVSH-UHFFFAOYSA-N 0 3 356.470 3.712 20 30 FHEDHN Cc1nccc(NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)n1 ZINC000330102771 945357461 /nfs/dbraw/zinc/35/74/61/945357461.db2.gz GHEQAPPHTZCYFK-OAHLLOKOSA-N 0 3 359.499 3.646 20 30 FHEDHN C=CCOc1c(Br)cc(CNc2nccn2C)cc1OCC ZINC000414311252 940942511 /nfs/dbraw/zinc/94/25/11/940942511.db2.gz YDGVMJHZXUAYPH-UHFFFAOYSA-N 0 3 366.259 3.758 20 30 FHEDHN C[C@H](Nc1nc(CN)ccc1NC(=O)C(C)(C)C)c1cccc(C#N)c1 ZINC001167707428 941132600 /nfs/dbraw/zinc/13/26/00/941132600.db2.gz VTCYEOOTDUISBZ-ZDUSSCGKSA-N 0 3 351.454 3.570 20 30 FHEDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000189491648 941159131 /nfs/dbraw/zinc/15/91/31/941159131.db2.gz GQJRIXZVTGOABR-GJZGRUSLSA-N 0 3 351.541 3.829 20 30 FHEDHN Cc1cccc2nc(C3CCN(C[C@H](O)c4ccc(C#N)cc4)CC3)oc21 ZINC000189811622 941285144 /nfs/dbraw/zinc/28/51/44/941285144.db2.gz XFAWMXJPLGJWGV-FQEVSTJZSA-N 0 3 361.445 3.921 20 30 FHEDHN C=C(C)Cn1c(C)nnc1N1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000549273142 941812327 /nfs/dbraw/zinc/81/23/27/941812327.db2.gz USTWOKNUAIFIMF-FQEVSTJZSA-N 0 3 353.514 3.654 20 30 FHEDHN COc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)ccc1OC(F)F ZINC000728713303 941998853 /nfs/dbraw/zinc/99/88/53/941998853.db2.gz YYIJMYQVDMOYPA-ZDUSSCGKSA-N 0 3 362.376 3.877 20 30 FHEDHN CCN1CCN(c2ccc(Nc3ncc(C#N)cc3Cl)c(C)c2)CC1 ZINC000513609918 942037194 /nfs/dbraw/zinc/03/71/94/942037194.db2.gz RKXGQRLKTXHSPL-UHFFFAOYSA-N 0 3 355.873 3.801 20 30 FHEDHN N#Cc1cccc(COc2cccc(CN3CCN(CC4CC4)CC3)c2)c1 ZINC000513639159 942050289 /nfs/dbraw/zinc/05/02/89/942050289.db2.gz YMPSBELWLKVRLU-UHFFFAOYSA-N 0 3 361.489 3.665 20 30 FHEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415803536 942060305 /nfs/dbraw/zinc/06/03/05/942060305.db2.gz JSTYSYGNIRTCBK-LSDHHAIUSA-N 0 3 366.490 3.924 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(COc2ccc(OC)cc2)n1 ZINC000280689014 942234403 /nfs/dbraw/zinc/23/44/03/942234403.db2.gz RHAHAQGJOHTCDZ-YWZLYKJASA-N 0 3 374.506 3.802 20 30 FHEDHN COc1cccc(CN(Cc2cc(C#N)cs2)C2CCC(O)CC2)c1 ZINC000092966852 942279041 /nfs/dbraw/zinc/27/90/41/942279041.db2.gz UQHYBXXOEYRYCF-UHFFFAOYSA-N 0 3 356.491 3.934 20 30 FHEDHN N#Cc1ccc(Cl)c(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000505236355 942408688 /nfs/dbraw/zinc/40/86/88/942408688.db2.gz YBFVFFVHKIPEPD-IBGZPJMESA-N 0 3 353.853 3.779 20 30 FHEDHN N#Cc1ccc(C2=CCN(CCCOc3ccc4c(c3)OCO4)CC2)cc1 ZINC000502493628 942489722 /nfs/dbraw/zinc/48/97/22/942489722.db2.gz GENZWIZCIUCEOK-UHFFFAOYSA-N 0 3 362.429 3.845 20 30 FHEDHN Cc1ccnc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1C#N ZINC000541276303 942553181 /nfs/dbraw/zinc/55/31/81/942553181.db2.gz JKYKDSKHGJWDID-INIZCTEOSA-N 0 3 360.383 3.967 20 30 FHEDHN COc1cc(CN2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)ccc1C#N ZINC000367027451 942689232 /nfs/dbraw/zinc/68/92/32/942689232.db2.gz BPAVGIQSNPKXLC-BCDXTJNWSA-N 0 3 371.481 3.587 20 30 FHEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccncc1 ZINC000502750980 942717380 /nfs/dbraw/zinc/71/73/80/942717380.db2.gz QKNRRMVFTLWQOM-UHFFFAOYSA-N 0 3 368.506 3.744 20 30 FHEDHN C=CCN(C(=O)N[C@H](C)c1ccccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363823408 942762400 /nfs/dbraw/zinc/76/24/00/942762400.db2.gz NXBXJNNEUFLNLV-QUCCMNQESA-N 0 3 364.493 3.615 20 30 FHEDHN Cc1ccc(CC2CCN(C([O-])=[NH+][C@H]3CCc4nc[nH]c4C3)CC2)cc1C ZINC000330205335 942831446 /nfs/dbraw/zinc/83/14/46/942831446.db2.gz DJHSCUZJKAEBJW-IBGZPJMESA-N 0 3 366.509 3.753 20 30 FHEDHN C=C(C)COc1cc(CN2CCC[C@@H](N3CCCC3=O)CC2)ccc1OC ZINC000414556008 942858309 /nfs/dbraw/zinc/85/83/09/942858309.db2.gz VBDUVQFRXMZYFS-LJQANCHMSA-N 0 3 372.509 3.627 20 30 FHEDHN COC[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000434790329 942969067 /nfs/dbraw/zinc/96/90/67/942969067.db2.gz SZENQOBJDIKCTR-FCHUYYIVSA-N 0 3 364.489 3.670 20 30 FHEDHN CCOCCOCc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271828679 943057312 /nfs/dbraw/zinc/05/73/12/943057312.db2.gz DLEXVZOFAUZHBU-GOSISDBHSA-N 0 3 368.477 3.993 20 30 FHEDHN C=CCN1CCC(NC(=O)NCC2(c3ccc(C)c(C)c3)CCC2)CC1 ZINC000434174498 943116646 /nfs/dbraw/zinc/11/66/46/943116646.db2.gz TZSOSQDVZVLYQH-UHFFFAOYSA-N 0 3 355.526 3.675 20 30 FHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272419508 943153126 /nfs/dbraw/zinc/15/31/26/943153126.db2.gz LTVPFBZHQNRKBG-VYDXJSESSA-N 0 3 358.511 3.639 20 30 FHEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000272642447 943191766 /nfs/dbraw/zinc/19/17/66/943191766.db2.gz XYGWVDGDTFPHAX-LJQANCHMSA-N 0 3 363.502 3.674 20 30 FHEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272710876 943206609 /nfs/dbraw/zinc/20/66/09/943206609.db2.gz KNISULMMKATADG-GJZGRUSLSA-N 0 3 358.511 3.710 20 30 FHEDHN Cn1cccc(C(=O)C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1=O ZINC000503501190 943221257 /nfs/dbraw/zinc/22/12/57/943221257.db2.gz LDLWVTMTRVOXPS-AWEZNQCLSA-N 0 3 369.833 3.652 20 30 FHEDHN C[C@H](N[C@@H]1CCC[C@@H]1OCc1ccccc1)C(=O)Nc1ccccc1C#N ZINC000503514655 943228690 /nfs/dbraw/zinc/22/86/90/943228690.db2.gz AELJBZCHONVSEX-DQLDELGASA-N 0 3 363.461 3.613 20 30 FHEDHN CS[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000728766645 943326546 /nfs/dbraw/zinc/32/65/46/943326546.db2.gz DZQFEUSYQWNXOE-ZFWWWQNUSA-N 0 3 354.431 3.878 20 30 FHEDHN C=CCC(C)(C)C(=O)N[C@@]12CC[C@@](NCc3nccn3CC)(C1)CCC2 ZINC001269977017 943469700 /nfs/dbraw/zinc/46/97/00/943469700.db2.gz GMCABTASFJXJAG-RTWAWAEBSA-N 0 3 358.530 3.557 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(OC)cc(OC)c2Cl)CC1 ZINC000417253993 943469977 /nfs/dbraw/zinc/46/99/77/943469977.db2.gz OFYCFEMYUWBGPS-UHFFFAOYSA-N 0 3 367.877 3.519 20 30 FHEDHN CN(C)[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000504065620 943485607 /nfs/dbraw/zinc/48/56/07/943485607.db2.gz ANXSTKMHEKRVNE-QFIPXVFZSA-N 0 3 374.488 3.660 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000435675448 943554782 /nfs/dbraw/zinc/55/47/82/943554782.db2.gz VWQIQDKGIWRILQ-VSKRKVRLSA-N 0 3 364.489 3.615 20 30 FHEDHN N#CCCC[C@H](N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000424102446 943718856 /nfs/dbraw/zinc/71/88/56/943718856.db2.gz BDXATDLYPHCPEB-INIZCTEOSA-N 0 3 367.415 3.655 20 30 FHEDHN COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H](N)CCCC#N)cc1F ZINC000424100967 943718975 /nfs/dbraw/zinc/71/89/75/943718975.db2.gz IOEBZNYBOJZQAX-MRXNPFEDSA-N 0 3 371.412 3.895 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000424085554 943721640 /nfs/dbraw/zinc/72/16/40/943721640.db2.gz BGLNIWVIPQWUEP-GOSISDBHSA-N 0 3 357.841 3.879 20 30 FHEDHN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@@H](N)CCCC#N ZINC000424121641 943742903 /nfs/dbraw/zinc/74/29/03/943742903.db2.gz ILXDGTZJQFVXAG-HOTGVXAUSA-N 0 3 351.878 3.573 20 30 FHEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000424141102 943748742 /nfs/dbraw/zinc/74/87/42/943748742.db2.gz OLCMNLOAXWCSEP-YYWHXJBOSA-N 0 3 366.461 3.556 20 30 FHEDHN COc1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)c2ccccc2Cl)cc1 ZINC000424130589 943757011 /nfs/dbraw/zinc/75/70/11/943757011.db2.gz UAJURJRPNFXLRN-RTBURBONSA-N 0 3 371.868 3.575 20 30 FHEDHN COc1cccc([C@@H]2[C@@H](NCc3ccc(F)cc3C#N)CCN2C2CC2)c1 ZINC000549476703 943813106 /nfs/dbraw/zinc/81/31/06/943813106.db2.gz GYKTWGISLBSKJZ-FCHUYYIVSA-N 0 3 365.452 3.774 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)ccc2OC(C)C)CC1 ZINC000516999724 943902890 /nfs/dbraw/zinc/90/28/90/943902890.db2.gz VYRUYJNSEDRAHE-UHFFFAOYSA-N 0 3 351.878 3.899 20 30 FHEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000437642966 943992893 /nfs/dbraw/zinc/99/28/93/943992893.db2.gz BCGPZWLZBDEGPT-YLJYHZDGSA-N 0 3 364.555 3.866 20 30 FHEDHN C[C@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990242 944045799 /nfs/dbraw/zinc/04/57/99/944045799.db2.gz KDHMGQMIOYJFAJ-ULQDDVLXSA-N 0 3 362.477 3.678 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(=O)c1ccc(F)cc1F ZINC000123065801 944047451 /nfs/dbraw/zinc/04/74/51/944047451.db2.gz IQCFFRTUYLEQCX-AWEZNQCLSA-N 0 3 367.355 3.691 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC1 ZINC000437736956 944065999 /nfs/dbraw/zinc/06/59/99/944065999.db2.gz XUFPQGDWVMOSMP-RHDGDCLCSA-N 0 3 363.452 3.551 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000436312993 944192228 /nfs/dbraw/zinc/19/22/28/944192228.db2.gz LCHQDXCLRJWLFP-OHNRDTAOSA-N 0 3 360.889 3.861 20 30 FHEDHN Cc1ccc2[nH]c(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2c1 ZINC000518289539 944251158 /nfs/dbraw/zinc/25/11/58/944251158.db2.gz VKHYDKHKMGTTTQ-UHFFFAOYSA-N 0 3 360.461 3.552 20 30 FHEDHN N#Cc1ccc(N2CC[C@H](N3CCC[C@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000500214972 944277627 /nfs/dbraw/zinc/27/76/27/944277627.db2.gz ACEQCEUIOLGRKJ-IRLDBZIGSA-N 0 3 359.473 3.618 20 30 FHEDHN N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000500214973 944277857 /nfs/dbraw/zinc/27/78/57/944277857.db2.gz ACEQCEUIOLGRKJ-RBBKRZOGSA-N 0 3 359.473 3.618 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](C)C(F)(F)F ZINC000439044649 944283371 /nfs/dbraw/zinc/28/33/71/944283371.db2.gz QDRSEYIDJOFLIU-ZDUSSCGKSA-N 0 3 362.465 3.783 20 30 FHEDHN C[C@@H](OC[C@@H](O)CN(C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000046836068 944456079 /nfs/dbraw/zinc/45/60/79/944456079.db2.gz NQNWGHYGFVRXOW-QRWLVFNGSA-N 0 3 358.869 3.782 20 30 FHEDHN Cc1ccc2cc(CN[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2n1 ZINC000437794573 944506256 /nfs/dbraw/zinc/50/62/56/944506256.db2.gz DFPBQDPYVKAKFK-QFIPXVFZSA-N 0 3 370.456 3.700 20 30 FHEDHN C#CCOc1ccccc1CN[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000311290911 944516886 /nfs/dbraw/zinc/51/68/86/944516886.db2.gz AELAMUCPYATQEX-SJLPKXTDSA-N 0 3 358.482 3.576 20 30 FHEDHN CSCc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047010764 944518307 /nfs/dbraw/zinc/51/83/07/944518307.db2.gz JLVQQZBFYKFDPJ-UHFFFAOYSA-N 0 3 367.518 3.625 20 30 FHEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3OC)CCCCC2)CC1 ZINC000517762571 944582762 /nfs/dbraw/zinc/58/27/62/944582762.db2.gz BYGBNKNMWQXXHQ-UHFFFAOYSA-N 0 3 356.510 3.664 20 30 FHEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(C)c(OC)c2)ccc1OC ZINC000194310025 944651165 /nfs/dbraw/zinc/65/11/65/944651165.db2.gz NANUPYYEDWUJPH-SFHVURJKSA-N 0 3 354.450 3.983 20 30 FHEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123951412 944654161 /nfs/dbraw/zinc/65/41/61/944654161.db2.gz CFUWFXGLONMJDX-GFCCVEGCSA-N 0 3 367.714 3.715 20 30 FHEDHN N#Cc1c(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cccc1C(F)F ZINC000517960924 944875562 /nfs/dbraw/zinc/87/55/62/944875562.db2.gz LSBHTFIXALZUOR-CVEARBPZSA-N 0 3 357.404 3.543 20 30 FHEDHN C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000505917552 944888061 /nfs/dbraw/zinc/88/80/61/944888061.db2.gz RPVCFXUEHDUEMC-XJKSGUPXSA-N 0 3 353.388 3.651 20 30 FHEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000506654889 944898401 /nfs/dbraw/zinc/89/84/01/944898401.db2.gz QSHABPAHODIRMW-KBXCAEBGSA-N 0 3 367.449 3.643 20 30 FHEDHN N#CC(C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccncn1 ZINC000546154276 944999941 /nfs/dbraw/zinc/99/99/41/944999941.db2.gz ZELULQXDUMDMKW-VIFPVBQESA-N 0 3 370.128 3.748 20 30 FHEDHN N#CC(C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccncn1 ZINC000546154275 944999998 /nfs/dbraw/zinc/99/99/98/944999998.db2.gz ZELULQXDUMDMKW-SECBINFHSA-N 0 3 370.128 3.748 20 30 FHEDHN C=CCOc1ccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000511762272 945049285 /nfs/dbraw/zinc/04/92/85/945049285.db2.gz LUXHSHSZEHBFFF-UHFFFAOYSA-N 0 3 371.525 3.848 20 30 FHEDHN CC(C)c1ccc2c(c1)[C@H](NC([O-])=[NH+][C@H]1CCn3ccnc3C1)CCC2 ZINC000330183136 945391616 /nfs/dbraw/zinc/39/16/16/945391616.db2.gz HSEAAFAALWKPGW-PKOBYXMFSA-N 0 3 352.482 3.903 20 30 FHEDHN CC(C)c1ccc2c(c1)[C@@H](NC([O-])=[NH+][C@H]1CCn3ccnc3C1)CCC2 ZINC000330183132 945391708 /nfs/dbraw/zinc/39/17/08/945391708.db2.gz HSEAAFAALWKPGW-HKUYNNGSSA-N 0 3 352.482 3.903 20 30 FHEDHN CCC(CC)[C@@H](C(=O)C(C#N)c1nc(C(C)C)cs1)N1CCOCC1 ZINC000125193336 945679971 /nfs/dbraw/zinc/67/99/71/945679971.db2.gz SKYVWOPBOYFJJY-RDJZCZTQSA-N 0 3 363.527 3.580 20 30 FHEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000110680334 945718623 /nfs/dbraw/zinc/71/86/23/945718623.db2.gz PSWGDSBLUTZTFV-HXUWFJFHSA-N 0 3 367.449 3.884 20 30 FHEDHN CC(C)(C#N)CCCN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440914655 946027428 /nfs/dbraw/zinc/02/74/28/946027428.db2.gz NOKGXSSKTHTXER-KRWDZBQOSA-N 0 3 353.466 3.957 20 30 FHEDHN C=CCCC1(CNC(=O)N(CCN(C)C)Cc2ccccn2)CCCC1 ZINC000665587431 946308847 /nfs/dbraw/zinc/30/88/47/946308847.db2.gz PJFNREBFQOLPJD-UHFFFAOYSA-N 0 3 358.530 3.681 20 30 FHEDHN C=CCN1CCC(NC(=O)NCCCOc2ccc3ccccc3c2)CC1 ZINC000475102419 946395242 /nfs/dbraw/zinc/39/52/42/946395242.db2.gz IDHNYUMBQIYZLS-UHFFFAOYSA-N 0 3 367.493 3.558 20 30 FHEDHN C=CCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)C(C)(C)C ZINC000661756304 946584151 /nfs/dbraw/zinc/58/41/51/946584151.db2.gz JJWGJJLZTFVDOZ-GOSISDBHSA-N 0 3 360.498 3.654 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000128496026 946589743 /nfs/dbraw/zinc/58/97/43/946589743.db2.gz XPURDWAPHIGEJX-HNNXBMFYSA-N 0 3 374.412 3.967 20 30 FHEDHN C#CCOc1ccc(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)cc1 ZINC000303856241 946714817 /nfs/dbraw/zinc/71/48/17/946714817.db2.gz GMDUPXLQESYJEW-IBGZPJMESA-N 0 3 356.491 3.573 20 30 FHEDHN C=CCN1CCC(NC(=O)NCCc2cccc(-c3ccccc3)c2)CC1 ZINC000473959232 946883378 /nfs/dbraw/zinc/88/33/78/946883378.db2.gz NKFHKTJDUMZBIL-UHFFFAOYSA-N 0 3 363.505 3.846 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)c1cccc(F)c1C#N)c1cccc(OC)c1 ZINC000186325264 946913520 /nfs/dbraw/zinc/91/35/20/946913520.db2.gz ZNUJYUGGDYZQRZ-HXUWFJFHSA-N 0 3 369.440 3.519 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)c2cn3c(n2)CCCC3)N2CCCC2)cc1 ZINC000328698253 946993527 /nfs/dbraw/zinc/99/35/27/946993527.db2.gz HMGBBVWCOHSMDW-IBGZPJMESA-N 0 3 352.482 3.670 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328807665 947029736 /nfs/dbraw/zinc/02/97/36/947029736.db2.gz MFFSGSVWPLCWGR-OBZTUIKSSA-N 0 3 374.525 3.650 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000432269205 947034915 /nfs/dbraw/zinc/03/49/15/947034915.db2.gz IYWJWMXZEBUHCD-FQEVSTJZSA-N 0 3 362.477 3.995 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000432269206 947035133 /nfs/dbraw/zinc/03/51/33/947035133.db2.gz IYWJWMXZEBUHCD-HXUWFJFHSA-N 0 3 362.477 3.995 20 30 FHEDHN N#CC(C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccccn1 ZINC000049458286 947074386 /nfs/dbraw/zinc/07/43/86/947074386.db2.gz PBMGHOJYOQTHQM-OAHLLOKOSA-N 0 3 371.375 3.687 20 30 FHEDHN N#CC(C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccccn1 ZINC000049458284 947074990 /nfs/dbraw/zinc/07/49/90/947074990.db2.gz PBMGHOJYOQTHQM-HNNXBMFYSA-N 0 3 371.375 3.687 20 30 FHEDHN CC(C)(C)[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCO1 ZINC000328918183 947107329 /nfs/dbraw/zinc/10/73/29/947107329.db2.gz LBQSQZOGFMFGKB-AABGKKOBSA-N 0 3 373.541 3.921 20 30 FHEDHN COc1cc(Cl)c(Cl)cc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000331101298 947345273 /nfs/dbraw/zinc/34/52/73/947345273.db2.gz DBAXYSCHGDCKGW-JTQLQIEISA-N 0 3 358.269 3.978 20 30 FHEDHN CC(C)=CCC[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000458965928 947538863 /nfs/dbraw/zinc/53/88/63/947538863.db2.gz CITQBAQYNRIXHI-SFHVURJKSA-N 0 3 356.514 3.766 20 30 FHEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000125731379 947567650 /nfs/dbraw/zinc/56/76/50/947567650.db2.gz CZHJVICCSALQGC-HNNXBMFYSA-N 0 3 373.478 3.659 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000189279178 947669298 /nfs/dbraw/zinc/66/92/98/947669298.db2.gz SYBQASXZCYTWAU-UHFFFAOYSA-N 0 3 364.902 3.562 20 30 FHEDHN N#Cc1ccc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)c(OC(F)F)c1 ZINC000549613107 948022821 /nfs/dbraw/zinc/02/28/21/948022821.db2.gz KQHZXFDSSSSBST-IBGZPJMESA-N 0 3 372.415 3.933 20 30 FHEDHN C=CCOc1ccc(CNCc2ccc(Cn3cncn3)cc2)cc1Cl ZINC000066971328 948107899 /nfs/dbraw/zinc/10/78/99/948107899.db2.gz ORRLVFHZZQYFAH-UHFFFAOYSA-N 0 3 368.868 3.834 20 30 FHEDHN CC(C)(NCc1cnc2ccc(C#N)cn12)c1ccc(Br)cc1 ZINC000585766938 948277920 /nfs/dbraw/zinc/27/79/20/948277920.db2.gz MKNORJPIGBTRTP-UHFFFAOYSA-N 0 3 369.266 3.993 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2noc(-c3ccccc3F)c2C)CC1 ZINC000278960476 948339607 /nfs/dbraw/zinc/33/96/07/948339607.db2.gz NKSOBEBUXPXYHM-UHFFFAOYSA-N 0 3 372.444 3.951 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2ccnc(Oc3ccccc3)c2)CC1 ZINC000520682767 948579655 /nfs/dbraw/zinc/57/96/55/948579655.db2.gz OARXHJBOEDUCMW-UHFFFAOYSA-N 0 3 351.450 3.644 20 30 FHEDHN C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1[O-] ZINC000109221234 210142331 /nfs/dbraw/zinc/14/23/31/210142331.db2.gz RDLIQEVSTFATCD-MRXNPFEDSA-N 0 3 357.454 3.590 20 30 FHEDHN C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c1[O-] ZINC000109221234 210142336 /nfs/dbraw/zinc/14/23/36/210142336.db2.gz RDLIQEVSTFATCD-MRXNPFEDSA-N 0 3 357.454 3.590 20 30 FHEDHN N#Cc1cccc(OCCN2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000091888804 567877189 /nfs/dbraw/zinc/87/71/89/567877189.db2.gz ZRTHBZRBUGEBPI-UHFFFAOYSA-N 0 3 354.425 3.757 20 30 FHEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967530 567889463 /nfs/dbraw/zinc/88/94/63/567889463.db2.gz GXMQPBNYIRNYPQ-UWVGGRQHSA-N 0 3 353.253 3.575 20 30 FHEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967532 567889549 /nfs/dbraw/zinc/88/95/49/567889549.db2.gz GXMQPBNYIRNYPQ-ZJUUUORDSA-N 0 3 353.253 3.575 20 30 FHEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000481460583 567956495 /nfs/dbraw/zinc/95/64/95/567956495.db2.gz SPBDNOVKXLURQT-XOBRGWDASA-N 0 3 371.868 3.906 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(CN2CCSCC2)c1 ZINC000602490386 567986081 /nfs/dbraw/zinc/98/60/81/567986081.db2.gz IESZPMJXKNYSSO-KRWDZBQOSA-N 0 3 359.539 3.746 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccnc(OC2CCCCC2)c1 ZINC000602531237 567988371 /nfs/dbraw/zinc/98/83/71/567988371.db2.gz GDLJMJADYPYNKX-KRWDZBQOSA-N 0 3 357.498 3.982 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000602578993 567993475 /nfs/dbraw/zinc/99/34/75/567993475.db2.gz QKFIAHUVTIDOHA-TUAOUCFPSA-N 0 3 374.432 3.939 20 30 FHEDHN N#CCCCC[C@H](N)C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000602594134 567995614 /nfs/dbraw/zinc/99/56/14/567995614.db2.gz SFMAJWYKILLESS-INIZCTEOSA-N 0 3 353.388 3.860 20 30 FHEDHN CN1CC[C@@H](NCC(C)(C)C#N)C[C@@H]1c1ccc(Br)cc1 ZINC000602617657 567998180 /nfs/dbraw/zinc/99/81/80/567998180.db2.gz YRTFUQFZTQQVRH-HZPDHXFCSA-N 0 3 350.304 3.724 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602641431 568003173 /nfs/dbraw/zinc/00/31/73/568003173.db2.gz RKRFCORCWDNHDQ-GFCCVEGCSA-N 0 3 371.359 3.802 20 30 FHEDHN CC(C)(C#N)C[C@H](O)CN(Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000602917342 568012474 /nfs/dbraw/zinc/01/24/74/568012474.db2.gz DPQFPBLKSOBFHJ-SFTDATJTSA-N 0 3 352.478 3.523 20 30 FHEDHN CC(C)(C#N)C[C@H](O)CN(Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000602917333 568012512 /nfs/dbraw/zinc/01/25/12/568012512.db2.gz DPQFPBLKSOBFHJ-LEWJYISDSA-N 0 3 352.478 3.523 20 30 FHEDHN CCc1nnc(Nc2cccc3c2OCC[C@@H]3N(C)C)c(C#N)c1CC ZINC000568497776 568037427 /nfs/dbraw/zinc/03/74/27/568037427.db2.gz NZFBPVRJYRBTHN-SFHVURJKSA-N 0 3 351.454 3.602 20 30 FHEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000568742917 568146457 /nfs/dbraw/zinc/14/64/57/568146457.db2.gz ZVPQMNIDZDUAKC-FPOVZHCZSA-N 0 3 368.502 3.505 20 30 FHEDHN C=CCN(CC=C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(C)C ZINC000603845672 568157161 /nfs/dbraw/zinc/15/71/61/568157161.db2.gz HTWNCNSEHMMMKQ-IBGZPJMESA-N 0 3 372.469 3.590 20 30 FHEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000482140115 568287967 /nfs/dbraw/zinc/28/79/67/568287967.db2.gz QQNNKMGHQOQDKB-KBRIMQKVSA-N 0 3 361.486 3.669 20 30 FHEDHN N#Cc1cnn2cc(CNC3(Cc4ccc(Cl)cc4)CCC3)cnc12 ZINC000563151556 568302653 /nfs/dbraw/zinc/30/26/53/568302653.db2.gz YPKSXVNISDRMFE-UHFFFAOYSA-N 0 3 351.841 3.509 20 30 FHEDHN C=CCOc1cccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000604765092 568361781 /nfs/dbraw/zinc/36/17/81/568361781.db2.gz ADDIWLDCAGJGHW-OALUTQOASA-N 0 3 365.395 3.876 20 30 FHEDHN CCCN(CCN1CCCCCC1)C(=O)Nc1ccc(C#N)cc1OC ZINC000570006064 568449329 /nfs/dbraw/zinc/44/93/29/568449329.db2.gz XGOQMPLFVGPBEL-UHFFFAOYSA-N 0 3 358.486 3.687 20 30 FHEDHN N#CCc1ccc(OC[C@H](O)CN(Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000052075716 937088603 /nfs/dbraw/zinc/08/86/03/937088603.db2.gz PWHSCHOXUVDMHA-HXUWFJFHSA-N 0 3 370.880 3.810 20 30 FHEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc(OC4CCCC4)c3)C2)nc1 ZINC000430175583 927532414 /nfs/dbraw/zinc/53/24/14/927532414.db2.gz CUKYXMRRMZIXNU-OAQYLSRUSA-N 0 3 363.461 3.928 20 30 FHEDHN Cc1cc(C(F)(F)F)ccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430185258 927651298 /nfs/dbraw/zinc/65/12/98/927651298.db2.gz GWBYJPNGKXFJLJ-KRWDZBQOSA-N 0 3 361.367 3.934 20 30 FHEDHN CC(C)(C)OC(=O)NCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000176764199 937196640 /nfs/dbraw/zinc/19/66/40/937196640.db2.gz LFTZIVJMZZTGCI-GFCCVEGCSA-N 0 3 357.410 3.555 20 30 FHEDHN CCOc1ccc(O)c(/C=N\C2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000254912274 928148349 /nfs/dbraw/zinc/14/83/49/928148349.db2.gz LIGJUSPNUBKSSK-VBHMAFOESA-N 0 3 353.466 3.830 20 30 FHEDHN Cc1cc(C(C#N)C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)nc(C)n1 ZINC000683221241 928293051 /nfs/dbraw/zinc/29/30/51/928293051.db2.gz PZTOQGQZCVKKBX-SNVBAGLBSA-N 0 3 355.266 3.881 20 30 FHEDHN CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544850002 928893965 /nfs/dbraw/zinc/89/39/65/928893965.db2.gz MGCCJYNNUNNHGO-IBGZPJMESA-N 0 3 367.880 3.948 20 30 FHEDHN C[C@@]1(c2ccccc2)CCCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000510132399 928939516 /nfs/dbraw/zinc/93/95/16/928939516.db2.gz KZLPHISEXHQKFF-HSZRJFAPSA-N 0 3 361.489 3.618 20 30 FHEDHN C=CCOc1cccc(CN(C)Cc2ccccc2N2CCOCC2)c1 ZINC000179762064 929004855 /nfs/dbraw/zinc/00/48/55/929004855.db2.gz DIDNPKGHKUOBLB-UHFFFAOYSA-N 0 3 352.478 3.720 20 30 FHEDHN Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000175789676 929818376 /nfs/dbraw/zinc/81/83/76/929818376.db2.gz AAMJCBUFHKIGMI-FQEVSTJZSA-N 0 3 362.477 3.995 20 30 FHEDHN C=CCN(CC=C)C(=O)CN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175857007 930024821 /nfs/dbraw/zinc/02/48/21/930024821.db2.gz AWNAWQOZLYOHDQ-ROUUACIJSA-N 0 3 362.539 3.617 20 30 FHEDHN C[C@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)c1cccc(C#N)c1 ZINC000610356972 930111647 /nfs/dbraw/zinc/11/16/47/930111647.db2.gz DJNYWLTXXCAOQW-GNZRSQJKSA-N 0 3 354.498 3.525 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)NCc1ccc(C#N)cc1)c1ccsc1 ZINC000048981618 937395146 /nfs/dbraw/zinc/39/51/46/937395146.db2.gz XWPSWRFNHUDOJV-GOSISDBHSA-N 0 3 356.495 3.502 20 30 FHEDHN CCc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000610400187 930367862 /nfs/dbraw/zinc/36/78/62/930367862.db2.gz QKEGCJPOWRVYCR-IERDGZPVSA-N 0 3 364.493 3.784 20 30 FHEDHN N#CC(C(=O)CC(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCC1 ZINC000175939740 930528219 /nfs/dbraw/zinc/52/82/19/930528219.db2.gz HJSSVMUQCSOAQI-QFIPXVFZSA-N 0 3 374.484 3.809 20 30 FHEDHN Cc1cc(C#N)ccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000119146050 930748700 /nfs/dbraw/zinc/74/87/00/930748700.db2.gz YDZPLOWTJDKXBI-UHFFFAOYSA-N 0 3 361.489 3.647 20 30 FHEDHN CSc1ccc([C@@H](CNC(=O)c2ccc(C#N)c(Cl)c2)N(C)C)cc1 ZINC000579883014 931197157 /nfs/dbraw/zinc/19/71/57/931197157.db2.gz LOTDRRPIKUIPLA-GOSISDBHSA-N 0 3 373.909 3.966 20 30 FHEDHN CC(C)Oc1ccc(NC(=O)N(CCN(C)C)C2CCCC2)cc1C#N ZINC000157807040 931735558 /nfs/dbraw/zinc/73/55/58/931735558.db2.gz XRCWLEJWKUARCC-UHFFFAOYSA-N 0 3 358.486 3.684 20 30 FHEDHN CN(Cc1ccccc1C#N)[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000156981730 931757579 /nfs/dbraw/zinc/75/75/79/931757579.db2.gz PBIWVOLTVKYTOV-HSZRJFAPSA-N 0 3 358.489 3.916 20 30 FHEDHN Cc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)ccc1-n1cncn1 ZINC000430586635 931964642 /nfs/dbraw/zinc/96/46/42/931964642.db2.gz WQFLUMHDTGGUBP-AWEZNQCLSA-N 0 3 365.462 3.820 20 30 FHEDHN COc1cc2c(cc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1)OCO2 ZINC000430587908 931965215 /nfs/dbraw/zinc/96/52/15/931965215.db2.gz BIWPBXVWWDQWDB-LLVKDONJSA-N 0 3 358.419 3.668 20 30 FHEDHN C=CCOc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000069751385 932320359 /nfs/dbraw/zinc/32/03/59/932320359.db2.gz NWXBFJKIEYRHIM-UHFFFAOYSA-N 0 3 356.441 3.517 20 30 FHEDHN C=CCOCCCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000079296313 932581631 /nfs/dbraw/zinc/58/16/31/932581631.db2.gz HJJASYCPTOZKSV-KRWDZBQOSA-N 0 3 350.528 3.620 20 30 FHEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1CCCC(=O)N1 ZINC000328826831 932756263 /nfs/dbraw/zinc/75/62/63/932756263.db2.gz SYCYIALHXDKNPB-QZTJIDSGSA-N 0 3 357.498 3.925 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCCCOC)c2ccccc2)CC1 ZINC000471811074 932993404 /nfs/dbraw/zinc/99/34/04/932993404.db2.gz MZVBCHUBCLKLAO-OAQYLSRUSA-N 0 3 373.541 3.884 20 30 FHEDHN CCN1CCC[C@H](NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000328870743 933061979 /nfs/dbraw/zinc/06/19/79/933061979.db2.gz DFMDLQTWDJMQCP-QQABJKMWSA-N 0 3 361.530 3.990 20 30 FHEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@H]3Cc3ccc(F)cc3)o2)c1 ZINC000477746342 933300943 /nfs/dbraw/zinc/30/09/43/933300943.db2.gz MYZBHNOKXDUJDN-IBGZPJMESA-N 0 3 362.408 3.954 20 30 FHEDHN N#CCc1ccc(OC[C@H](O)CN2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000610605343 933512981 /nfs/dbraw/zinc/51/29/81/933512981.db2.gz YUMMBBXOWBGKLB-IFMALSPDSA-N 0 3 368.452 3.859 20 30 FHEDHN C=CCOc1ccc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1 ZINC000091686927 933567221 /nfs/dbraw/zinc/56/72/21/933567221.db2.gz UYUGHSXKLKRJDQ-UHFFFAOYSA-N 0 3 365.477 3.806 20 30 FHEDHN Cc1cc(C(C#N)C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)nc(C)n1 ZINC000431128476 933879324 /nfs/dbraw/zinc/87/93/24/933879324.db2.gz RPMHZFPSOKPHMG-LJQANCHMSA-N 0 3 370.412 3.580 20 30 FHEDHN C=CCOc1ccc(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1OC ZINC000092754871 934166361 /nfs/dbraw/zinc/16/63/61/934166361.db2.gz FLNFCSOFSKOYDH-QGZVFWFLSA-N 0 3 374.525 3.633 20 30 FHEDHN COc1ccc([C@H](C/N=C/c2cc(OC)ccc2O)N2CCCC2)cc1 ZINC000022768430 934362725 /nfs/dbraw/zinc/36/27/25/934362725.db2.gz DXHXRDUGPFXIRD-ISXGRJCASA-N 0 3 354.450 3.665 20 30 FHEDHN C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)N1[C@H](C)CC[C@@H]1C ZINC000413421433 934597721 /nfs/dbraw/zinc/59/77/21/934597721.db2.gz WZAKMIUAWIYSQK-ZWUHOBOKSA-N 0 3 353.388 3.648 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000610933066 934633775 /nfs/dbraw/zinc/63/37/75/934633775.db2.gz XWHPHWFMZDTGJJ-DYESRHJHSA-N 0 3 359.473 3.542 20 30 FHEDHN Cc1oc(-c2ccccc2F)nc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000121691632 934774827 /nfs/dbraw/zinc/77/48/27/934774827.db2.gz FVWDWIAMCSTZPL-OAHLLOKOSA-N 0 3 363.348 3.750 20 30 FHEDHN Cc1ccc2[nH]c(CN[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2c1C ZINC000472078178 934964553 /nfs/dbraw/zinc/96/45/53/934964553.db2.gz MGIZPKLVBRLWLV-JOCHJYFZSA-N 0 3 372.472 3.942 20 30 FHEDHN Cc1ccc2[nH]c(CN[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2c1C ZINC000472078179 934964682 /nfs/dbraw/zinc/96/46/82/934964682.db2.gz MGIZPKLVBRLWLV-QFIPXVFZSA-N 0 3 372.472 3.942 20 30 FHEDHN CN(Cc1ccc(C#N)s1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000119693766 935055423 /nfs/dbraw/zinc/05/54/23/935055423.db2.gz YPPAUFQJZDTUCG-YIONKMFJSA-N 0 3 361.511 3.982 20 30 FHEDHN COc1ccc(COCCN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000609385396 935069308 /nfs/dbraw/zinc/06/93/08/935069308.db2.gz BLIRUWUYALPCJQ-UHFFFAOYSA-N 0 3 366.461 3.627 20 30 FHEDHN C=CCCn1cc(CN[C@H](CC)Cc2ccccc2Br)nn1 ZINC000657396619 935551964 /nfs/dbraw/zinc/55/19/64/935551964.db2.gz WRNKSGVDLQDGAP-OAHLLOKOSA-N 0 3 363.303 3.728 20 30 FHEDHN CC[C@@H](C)N[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000509566036 945119154 /nfs/dbraw/zinc/11/91/54/945119154.db2.gz COLDVFWYLMKFHX-CRAIPNDOSA-N 0 3 366.465 3.569 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)c1ccc(F)c(C#N)c1)c1cccc(OC)c1 ZINC000548741341 935813050 /nfs/dbraw/zinc/81/30/50/935813050.db2.gz WGEBQVNEJCAVKL-HXUWFJFHSA-N 0 3 369.440 3.519 20 30 FHEDHN COc1ccc([C@@H](CCC#N)N[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000375723189 935892865 /nfs/dbraw/zinc/89/28/65/935892865.db2.gz DEJYYBURASMWEP-AZUAARDMSA-N 0 3 350.466 3.694 20 30 FHEDHN C=CCOc1ccc(CNCc2ccnc(N3CCCC3)c2)cc1OC ZINC000075761119 936019224 /nfs/dbraw/zinc/01/92/24/936019224.db2.gz MZTXLECIONYMCX-UHFFFAOYSA-N 0 3 353.466 3.545 20 30 FHEDHN N#CCC[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000438854208 945142047 /nfs/dbraw/zinc/14/20/47/945142047.db2.gz RDCWPLBBELDEJS-LEWJYISDSA-N 0 3 362.477 3.605 20 30 FHEDHN N#Cc1csc(CNCCc2c[nH]c3cccc(Br)c23)n1 ZINC000582754638 936080668 /nfs/dbraw/zinc/08/06/68/936080668.db2.gz VSEGNIXMNXRKSR-UHFFFAOYSA-N 0 3 361.268 3.591 20 30 FHEDHN N#Cc1cnn2cc(CN[C@@H](c3ccc(Cl)cc3)C3CCC3)cnc12 ZINC000583515887 938288754 /nfs/dbraw/zinc/28/87/54/938288754.db2.gz BCFLZPQMTONVJO-GOSISDBHSA-N 0 3 351.841 3.885 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245699719 938310172 /nfs/dbraw/zinc/31/01/72/938310172.db2.gz YZPDNGQMPSLFJL-RBUKOAKNSA-N 0 3 355.507 3.891 20 30 FHEDHN Cc1[nH]c2ccccc2c1C1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000329272638 938311408 /nfs/dbraw/zinc/31/14/08/938311408.db2.gz AHNVEIMKWVUNDV-KRWDZBQOSA-N 0 3 366.509 3.806 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(F)c1 ZINC000052485649 938336164 /nfs/dbraw/zinc/33/61/64/938336164.db2.gz OCAXTASBUAHAES-UHFFFAOYSA-N 0 3 360.502 3.924 20 30 FHEDHN C#CCSCCNCc1cc(Br)ccc1OC(F)F ZINC000219224390 938353390 /nfs/dbraw/zinc/35/33/90/938353390.db2.gz QWDYOEFQOZNBBQ-UHFFFAOYSA-N 0 3 350.228 3.507 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](OCCC)CC1 ZINC000247268771 938453782 /nfs/dbraw/zinc/45/37/82/938453782.db2.gz XTEUXJQWQJJERM-MSOLQXFVSA-N 0 3 364.555 3.932 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](OCCC)CC1 ZINC000247268795 938453787 /nfs/dbraw/zinc/45/37/87/938453787.db2.gz XTEUXJQWQJJERM-QZTJIDSGSA-N 0 3 364.555 3.932 20 30 FHEDHN COc1ccccc1[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCCC1 ZINC000248186426 938550228 /nfs/dbraw/zinc/55/02/28/938550228.db2.gz HUAFSPMDFBFXMN-LJQANCHMSA-N 0 3 366.421 3.724 20 30 FHEDHN C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCCc1[nH]nc(N)c1C#N ZINC000089942800 938866854 /nfs/dbraw/zinc/86/68/54/938866854.db2.gz BGBZNIZERQAGRC-JTQLQIEISA-N 0 3 352.269 3.796 20 30 FHEDHN C=CCOCCCN[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000658210932 939070858 /nfs/dbraw/zinc/07/08/58/939070858.db2.gz YVTVIOZHMJDBKH-NRFANRHFSA-N 0 3 373.518 3.670 20 30 FHEDHN CC[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC)c1 ZINC000507428850 945230323 /nfs/dbraw/zinc/23/03/23/945230323.db2.gz LZXBUDWBZXSNKT-NHCUHLMSSA-N 0 3 363.461 3.803 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000425784249 945240354 /nfs/dbraw/zinc/24/03/54/945240354.db2.gz JTAABRMFHWWOHZ-FVJLSDCUSA-N 0 3 364.493 3.952 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2N2CCCCC2)CC1 ZINC000519287152 945272278 /nfs/dbraw/zinc/27/22/78/945272278.db2.gz WIOUDHQYUDJVME-UHFFFAOYSA-N 0 3 356.514 3.839 20 30 FHEDHN C[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000364682819 939982041 /nfs/dbraw/zinc/98/20/41/939982041.db2.gz QGVLIFSNTNQPKG-OAHLLOKOSA-N 0 3 374.444 3.581 20 30 FHEDHN Cc1nc(C(C)C)ncc1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000892489676 940024321 /nfs/dbraw/zinc/02/43/21/940024321.db2.gz MAASBFAXLZOESP-LBPRGKRZSA-N 0 3 356.813 3.523 20 30 FHEDHN C[C@]1(c2ccccc2)C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000892489872 940025473 /nfs/dbraw/zinc/02/54/73/940025473.db2.gz NGKZFJJFOUEYCB-QEEYODRMSA-N 0 3 352.821 3.965 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC000892496461 940060887 /nfs/dbraw/zinc/06/08/87/940060887.db2.gz YSUUFMQLDLJGCF-SJORKVTESA-N 0 3 356.466 3.664 20 30 FHEDHN Cc1ccc2oc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2c1 ZINC000065930251 940078727 /nfs/dbraw/zinc/07/87/27/940078727.db2.gz QZGCWTDLXCYGMY-UHFFFAOYSA-N 0 3 361.445 3.817 20 30 FHEDHN N#Cc1ccc(CN2CCC(Nc3ccc4c(c3)NC(=O)CC4)CC2)cc1 ZINC000179891376 940084317 /nfs/dbraw/zinc/08/43/17/940084317.db2.gz RUBLUXHWDQUJOX-UHFFFAOYSA-N 0 3 360.461 3.519 20 30 FHEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1 ZINC000065939682 940085838 /nfs/dbraw/zinc/08/58/38/940085838.db2.gz CMOSKRQNZGAZOO-UHFFFAOYSA-N 0 3 356.441 3.595 20 30 FHEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000413836860 940175385 /nfs/dbraw/zinc/17/53/85/940175385.db2.gz PXIMFWFACVJPEU-IBGZPJMESA-N 0 3 355.482 3.540 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000548957512 940252312 /nfs/dbraw/zinc/25/23/12/940252312.db2.gz OUJDYPLPBYDYJK-GOSISDBHSA-N 0 3 356.857 3.945 20 30 FHEDHN Cn1cc(CNCc2ccc(OC(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180032726 940283317 /nfs/dbraw/zinc/28/33/17/940283317.db2.gz ZHAPARMQNOAVFD-UHFFFAOYSA-N 0 3 368.387 3.850 20 30 FHEDHN CC[C@@H](C#N)Oc1cc(CNc2ccncc2-c2cccnc2)ccc1OC ZINC000376173963 940416617 /nfs/dbraw/zinc/41/66/17/940416617.db2.gz PWNIWWSIGJFUFE-SFHVURJKSA-N 0 3 374.444 3.867 20 30 FHEDHN COc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000414117119 940607483 /nfs/dbraw/zinc/60/74/83/940607483.db2.gz YQDRYNBSSBVBLE-IERDGZPVSA-N 0 3 363.461 3.722 20 30 FHEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc(C#N)cc1Br ZINC000613388549 940657580 /nfs/dbraw/zinc/65/75/80/940657580.db2.gz AXXQGMZDHGVHKN-FZKQIMNGSA-N 0 3 359.267 3.575 20 30 FHEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)cc1Br ZINC000613388551 940657609 /nfs/dbraw/zinc/65/76/09/940657609.db2.gz AXXQGMZDHGVHKN-UGSOOPFHSA-N 0 3 359.267 3.575 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(C#N)c(F)c1)c1ccsc1 ZINC000582456347 940672982 /nfs/dbraw/zinc/67/29/82/940672982.db2.gz NHBSFDNJMZSJHX-KRWDZBQOSA-N 0 3 360.458 3.963 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(F)(F)F)nc2C)CC1 ZINC000549042373 940818775 /nfs/dbraw/zinc/81/87/75/940818775.db2.gz DECKBSIGCKDEIM-UHFFFAOYSA-N 0 3 356.392 3.571 20 30 FHEDHN Cn1cc(CN[C@H](CCCO)c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180239559 940852596 /nfs/dbraw/zinc/85/25/96/940852596.db2.gz PMNOLJWCAHTNBM-OAQYLSRUSA-N 0 3 360.461 3.562 20 30 FHEDHN N#Cc1ccc(OC2CCC(NCc3ccn(-c4ccccc4)n3)CC2)nc1 ZINC000180310088 940945160 /nfs/dbraw/zinc/94/51/60/940945160.db2.gz RXWIWALUKSXUJC-UHFFFAOYSA-N 0 3 373.460 3.619 20 30 FHEDHN CC(C)C[C@H]1OCCC[C@H]1NCC(=O)Nc1nc2c(s1)CCCC2 ZINC000330120762 945364816 /nfs/dbraw/zinc/36/48/16/945364816.db2.gz BFPOZFQWDQNCRQ-UKRRQHHQSA-N 0 3 351.516 3.793 20 30 FHEDHN C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000176091444 940988479 /nfs/dbraw/zinc/98/84/79/940988479.db2.gz FUBOIJRBPXATPH-MRXNPFEDSA-N 0 3 366.440 3.826 20 30 FHEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)n1C1CCOCC1 ZINC000659115038 941084677 /nfs/dbraw/zinc/08/46/77/941084677.db2.gz NLFKHBZAHGBATP-SFHVURJKSA-N 0 3 374.444 3.890 20 30 FHEDHN C=CC1CCN(C(=O)[C@@H](N)Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000659266092 941139815 /nfs/dbraw/zinc/13/98/15/941139815.db2.gz RBTYLYBOSARXKJ-QFIPXVFZSA-N 0 3 364.489 3.560 20 30 FHEDHN CCS[C@H]1CCCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000189491688 941159056 /nfs/dbraw/zinc/15/90/56/941159056.db2.gz GQJRIXZVTGOABR-CABCVRRESA-N 0 3 351.541 3.829 20 30 FHEDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000189491625 941159175 /nfs/dbraw/zinc/15/91/75/941159175.db2.gz GQJRIXZVTGOABR-LSDHHAIUSA-N 0 3 351.541 3.829 20 30 FHEDHN CC(C)(C)OC(=O)NCCc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000311313042 941232448 /nfs/dbraw/zinc/23/24/48/941232448.db2.gz VZOGFWILBFMLRR-UHFFFAOYSA-N 0 3 371.506 3.977 20 30 FHEDHN C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@H](C)CN1 ZINC000415167053 941648529 /nfs/dbraw/zinc/64/85/29/941648529.db2.gz SBQCQGCKTXSIFF-HUUCEWRRSA-N 0 3 350.422 3.565 20 30 FHEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1ccccc1I ZINC000472747865 941667902 /nfs/dbraw/zinc/66/79/02/941667902.db2.gz IBBRFHFRHXGFTC-BBRMVZONSA-N 0 3 371.262 3.755 20 30 FHEDHN N#Cc1ccc(CN2CCC(Nc3ccc(OC(F)F)nc3)CC2)cc1 ZINC000549226466 941678485 /nfs/dbraw/zinc/67/84/85/941678485.db2.gz YHSBIJIROHDMLD-UHFFFAOYSA-N 0 3 358.392 3.631 20 30 FHEDHN C[C@H](NC(=O)c1cc2ccccc2n1CC#N)[C@H](c1ccccc1)N(C)C ZINC000613672611 941693736 /nfs/dbraw/zinc/69/37/36/941693736.db2.gz WAXWMBGPKPAKKX-HRAATJIYSA-N 0 3 360.461 3.586 20 30 FHEDHN C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)[C@H](c1ccccc1)N(C)C ZINC000613672613 941694375 /nfs/dbraw/zinc/69/43/75/941694375.db2.gz WAXWMBGPKPAKKX-IIBYNOLFSA-N 0 3 360.461 3.586 20 30 FHEDHN N#CC(C(=O)c1cc(F)cc2nccnc21)c1ccc(C(F)(F)F)cn1 ZINC000614468294 941742325 /nfs/dbraw/zinc/74/23/25/941742325.db2.gz SDKOIZRTEAXFTA-LBPRGKRZSA-N 0 3 360.270 3.673 20 30 FHEDHN C=CCCc1ccccc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000614478597 941784043 /nfs/dbraw/zinc/78/40/43/941784043.db2.gz BMKICDNKLCJKDS-LSDHHAIUSA-N 0 3 357.372 3.728 20 30 FHEDHN Cc1cc(NC(=O)CC(C)(C)C#N)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000377538157 941789804 /nfs/dbraw/zinc/78/98/04/941789804.db2.gz SYWVTZJJFJTKSB-SFHVURJKSA-N 0 3 365.481 3.517 20 30 FHEDHN N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1Cl ZINC000122589644 941817331 /nfs/dbraw/zinc/81/73/31/941817331.db2.gz PNEOTEDBTDYBPF-LJQANCHMSA-N 0 3 353.853 3.779 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)CC1 ZINC000433640878 941817701 /nfs/dbraw/zinc/81/77/01/941817701.db2.gz BWTXQBPETLAUEH-INIZCTEOSA-N 0 3 373.394 3.611 20 30 FHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(C(=O)OC)c(C)c2)c1 ZINC000892973380 941827338 /nfs/dbraw/zinc/82/73/38/941827338.db2.gz QLIZZYVUKUERNR-GOSISDBHSA-N 0 3 352.434 3.752 20 30 FHEDHN N#Cc1cnn2cc(CNC3(c4ccc(Cl)cc4)CCCC3)cnc12 ZINC000576704296 941839162 /nfs/dbraw/zinc/83/91/62/941839162.db2.gz JRKMJZLNUFGOOX-UHFFFAOYSA-N 0 3 351.841 3.813 20 30 FHEDHN C=C(C)Cn1c(C2CC2)nnc1N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000549291028 941857008 /nfs/dbraw/zinc/85/70/08/941857008.db2.gz UJPFAJICKOTDJY-HXUWFJFHSA-N 0 3 365.525 3.832 20 30 FHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(N3CCCCC3)nc2)cc1 ZINC000728711492 941953933 /nfs/dbraw/zinc/95/39/33/941953933.db2.gz FUYMVQGPRFQDDP-QGZVFWFLSA-N 0 3 350.466 3.653 20 30 FHEDHN Cc1nccn1-c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000183137872 942167988 /nfs/dbraw/zinc/16/79/88/942167988.db2.gz WHPCVVJHRRHDSD-HZPDHXFCSA-N 0 3 373.460 3.730 20 30 FHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(COc2ccc(OC)cc2)n1 ZINC000280689007 942234373 /nfs/dbraw/zinc/23/43/73/942234373.db2.gz RHAHAQGJOHTCDZ-FOIQADDNSA-N 0 3 374.506 3.802 20 30 FHEDHN CN(C)[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000419412718 942258581 /nfs/dbraw/zinc/25/85/81/942258581.db2.gz JKNVJCVUMRJJGM-RTWAWAEBSA-N 0 3 362.477 3.538 20 30 FHEDHN CN(C)[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000419412716 942258642 /nfs/dbraw/zinc/25/86/42/942258642.db2.gz JKNVJCVUMRJJGM-NHCUHLMSSA-N 0 3 362.477 3.538 20 30 FHEDHN C[C@@H](c1ccccc1)[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1[O-] ZINC000179643105 942263820 /nfs/dbraw/zinc/26/38/20/942263820.db2.gz SNDNTVUXLLDDDO-SFHVURJKSA-N 0 3 365.477 3.718 20 30 FHEDHN C[C@@H](c1ccccc1)[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1[O-] ZINC000179643105 942263822 /nfs/dbraw/zinc/26/38/22/942263822.db2.gz SNDNTVUXLLDDDO-SFHVURJKSA-N 0 3 365.477 3.718 20 30 FHEDHN COc1ccc2c(c1)OC(C)(C)CN(CCCC1(C#N)CCOCC1)C2 ZINC000421039966 942312648 /nfs/dbraw/zinc/31/26/48/942312648.db2.gz MQPVKKVQTDOQAO-UHFFFAOYSA-N 0 3 358.482 3.769 20 30 FHEDHN C=CCOc1ccccc1CN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000501116595 942317415 /nfs/dbraw/zinc/31/74/15/942317415.db2.gz YLGCKGWIQKPWBD-FQEVSTJZSA-N 0 3 368.521 3.866 20 30 FHEDHN Cc1cc(C)cc(OC[C@H](O)CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502548418 942525920 /nfs/dbraw/zinc/52/59/20/942525920.db2.gz KXBIIBPXNZBDSZ-JOCHJYFZSA-N 0 3 362.473 3.704 20 30 FHEDHN Cc1ccnc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1C#N ZINC000541276304 942556546 /nfs/dbraw/zinc/55/65/46/942556546.db2.gz JKYKDSKHGJWDID-MRXNPFEDSA-N 0 3 360.383 3.967 20 30 FHEDHN Cc1c2ccccc2oc1[C@@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000183583036 942636638 /nfs/dbraw/zinc/63/66/38/942636638.db2.gz QDVAHADJAOXNLM-WBVHZDCISA-N 0 3 350.418 3.703 20 30 FHEDHN COc1ccc(CN(Cc2ccc(OC)c(C#N)c2)CC2CC2)c(OC)c1 ZINC000503191617 943051042 /nfs/dbraw/zinc/05/10/42/943051042.db2.gz GGZYJDPTJWQMEB-UHFFFAOYSA-N 0 3 366.461 3.996 20 30 FHEDHN C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](c1ccccc1)N(C)C ZINC000505591077 943105786 /nfs/dbraw/zinc/10/57/86/943105786.db2.gz LBRCGTLXTQEZEN-VFNWGFHPSA-N 0 3 374.444 3.634 20 30 FHEDHN C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](c1ccccc1)N(C)C ZINC000505591075 943106292 /nfs/dbraw/zinc/10/62/92/943106292.db2.gz LBRCGTLXTQEZEN-QVKFZJNVSA-N 0 3 374.444 3.634 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)CC1 ZINC000434191913 943112201 /nfs/dbraw/zinc/11/22/01/943112201.db2.gz RTMBDSQYCMNWGR-QFIPXVFZSA-N 0 3 355.526 3.709 20 30 FHEDHN CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(F)cc1C#N ZINC000435154889 943196163 /nfs/dbraw/zinc/19/61/63/943196163.db2.gz IAZGVAAFRMPYIE-UHFFFAOYSA-N 0 3 368.456 3.726 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(F)(c3ccccc3)CC2)CC1 ZINC000434197690 943221473 /nfs/dbraw/zinc/22/14/73/943221473.db2.gz KSZRUHFJGOIGAK-UHFFFAOYSA-N 0 3 359.489 3.697 20 30 FHEDHN C[C@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CCN(C2CC2)C1 ZINC000458846626 943222487 /nfs/dbraw/zinc/22/24/87/943222487.db2.gz RCJUGQXTBOARAB-YLJYHZDGSA-N 0 3 354.498 3.547 20 30 FHEDHN C[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CCN(C2CC2)C1 ZINC000458846625 943222582 /nfs/dbraw/zinc/22/25/82/943222582.db2.gz RCJUGQXTBOARAB-XLIONFOSSA-N 0 3 354.498 3.547 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000504508857 943648684 /nfs/dbraw/zinc/64/86/84/943648684.db2.gz GKOVYWHPHMXSRO-GOSISDBHSA-N 0 3 358.526 3.763 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000424102453 943718955 /nfs/dbraw/zinc/71/89/55/943718955.db2.gz BDXATDLYPHCPEB-MRXNPFEDSA-N 0 3 367.415 3.655 20 30 FHEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000424114426 943738567 /nfs/dbraw/zinc/73/85/67/943738567.db2.gz RCICTPRGRNOWHP-YWZLYKJASA-N 0 3 369.440 3.603 20 30 FHEDHN CC(C)[C@@H](CNC(=O)[C@@H](N)CCCC#N)Cc1ccc(Cl)cc1Cl ZINC000424135208 943747729 /nfs/dbraw/zinc/74/77/29/943747729.db2.gz JCIFEQPNLHANBT-PBHICJAKSA-N 0 3 370.324 3.945 20 30 FHEDHN CC(C)c1c(NC(=O)[C@@H](N)CCCC#N)cnn1-c1ccc(Cl)cc1 ZINC000424164670 943770106 /nfs/dbraw/zinc/77/01/06/943770106.db2.gz CPBKXLOTULETIS-HNNXBMFYSA-N 0 3 359.861 3.609 20 30 FHEDHN FC(F)(F)Oc1ccc(C#CCN2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000437567656 943924939 /nfs/dbraw/zinc/92/49/39/943924939.db2.gz JHWJPBMGWPZUKP-GOSISDBHSA-N 0 3 353.384 3.829 20 30 FHEDHN C=CCCO[C@H](C)C(=O)N(CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000505001260 943954043 /nfs/dbraw/zinc/95/40/43/943954043.db2.gz QQEBLKLEGZVGRV-TZIWHRDSSA-N 0 3 358.526 3.871 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOCCc1ccccc1 ZINC000123042415 943980759 /nfs/dbraw/zinc/98/07/59/943980759.db2.gz KUMHEMUTHYFYRD-SFHVURJKSA-N 0 3 361.445 3.789 20 30 FHEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000437642956 943991620 /nfs/dbraw/zinc/99/16/20/943991620.db2.gz BCGPZWLZBDEGPT-FXAWDEMLSA-N 0 3 364.555 3.866 20 30 FHEDHN C[C@@H]1CC[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2sccc21 ZINC000515599129 944036573 /nfs/dbraw/zinc/03/65/73/944036573.db2.gz HWPVZRMTVRNWON-MDASCCDHSA-N 0 3 365.502 3.949 20 30 FHEDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990241 944045921 /nfs/dbraw/zinc/04/59/21/944045921.db2.gz KDHMGQMIOYJFAJ-IXDOHACOSA-N 0 3 362.477 3.678 20 30 FHEDHN CSc1ccc(OC[C@@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425528937 944239169 /nfs/dbraw/zinc/23/91/69/944239169.db2.gz AAPMZVNBMBDCDL-QAPCUYQASA-N 0 3 356.491 3.713 20 30 FHEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1 ZINC000517734167 944545957 /nfs/dbraw/zinc/54/59/57/944545957.db2.gz BMTPOURWWZGDNA-INIZCTEOSA-N 0 3 357.461 3.561 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000429801369 944730776 /nfs/dbraw/zinc/73/07/76/944730776.db2.gz LXWVJYQWZNFZMD-UONOGXRCSA-N 0 3 355.507 3.932 20 30 FHEDHN COc1cc(C)c(CN(C)CCOCc2ccc(C#N)cc2)cc1OC ZINC000516514231 944962422 /nfs/dbraw/zinc/96/24/22/944962422.db2.gz MQFMMDAMGLJINA-UHFFFAOYSA-N 0 3 354.450 3.533 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@]2(c3cccc(C)c3)C[C@H]2CC)CC1 ZINC000507185194 945015667 /nfs/dbraw/zinc/01/56/67/945015667.db2.gz YSFJVFRLEIYOEC-XMSQKQJNSA-N 0 3 355.526 3.960 20 30 FHEDHN Cc1cc(F)ccc1C1CCN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000330216714 945406159 /nfs/dbraw/zinc/40/61/59/945406159.db2.gz NIGRSPZOVDKLOB-INIZCTEOSA-N 0 3 356.445 3.508 20 30 FHEDHN Cc1cc(F)ccc1C1CCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000330216714 945406163 /nfs/dbraw/zinc/40/61/63/945406163.db2.gz NIGRSPZOVDKLOB-INIZCTEOSA-N 0 3 356.445 3.508 20 30 FHEDHN Cc1cc(F)ccc1C1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000330216715 945406406 /nfs/dbraw/zinc/40/64/06/945406406.db2.gz NIGRSPZOVDKLOB-MRXNPFEDSA-N 0 3 356.445 3.508 20 30 FHEDHN Cc1cc(F)ccc1C1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000330216715 945406410 /nfs/dbraw/zinc/40/64/10/945406410.db2.gz NIGRSPZOVDKLOB-MRXNPFEDSA-N 0 3 356.445 3.508 20 30 FHEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000330255222 945427769 /nfs/dbraw/zinc/42/77/69/945427769.db2.gz JWGLZBXWCQXCCT-COLVAYQJSA-N 0 3 353.260 3.583 20 30 FHEDHN O=C(CNC(=O)[C@H]1CCCCN1C1CCCC1)N1CCCc2ccccc21 ZINC000330316678 945539237 /nfs/dbraw/zinc/53/92/37/945539237.db2.gz ZNAFJLAUEGLIDQ-HXUWFJFHSA-N 0 3 369.509 3.719 20 30 FHEDHN Cc1nc2c(n1[C@@H]1CCN(CC(=O)NC3(C#N)CCCCC3)C1)CCCC2 ZINC000330317812 945541050 /nfs/dbraw/zinc/54/10/50/945541050.db2.gz BXAUVGPSINOIIA-QGZVFWFLSA-N 0 3 369.513 3.500 20 30 FHEDHN Cc1ccc(SCCC(=O)C(C#N)C(=O)Nc2ccccn2)cc1C ZINC000125071842 945543994 /nfs/dbraw/zinc/54/39/94/945543994.db2.gz DQHOEYBSGOPTBD-INIZCTEOSA-N 0 3 353.447 3.528 20 30 FHEDHN C[C@@H](Sc1ccccc1Cl)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125270228 945699246 /nfs/dbraw/zinc/69/92/46/945699246.db2.gz JLNQGMVIVNQRHH-VXGBXAGGSA-N 0 3 359.838 3.563 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000111233797 945862908 /nfs/dbraw/zinc/86/29/08/945862908.db2.gz IKDGBLRABZUHHF-MRXNPFEDSA-N 0 3 354.498 3.555 20 30 FHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1OCCCO ZINC000550105929 945872461 /nfs/dbraw/zinc/87/24/61/945872461.db2.gz YBXGLNXNMHRLBS-GZBFAFLISA-N 0 3 367.287 3.553 20 30 FHEDHN C=CCN(CCC(=O)Nc1sccc1C#N)Cc1ccc(OC)cc1 ZINC000054271970 946015681 /nfs/dbraw/zinc/01/56/81/946015681.db2.gz LWFZAKOXMJYTEC-UHFFFAOYSA-N 0 3 355.463 3.645 20 30 FHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000440910553 946023860 /nfs/dbraw/zinc/02/38/60/946023860.db2.gz JDTLKEXNCMTXLH-GXTWGEPZSA-N 0 3 368.399 3.625 20 30 FHEDHN COc1ccc(CN2CCCN(c3cc(C#N)c4ccccc4n3)CC2)cc1 ZINC000522905047 946083905 /nfs/dbraw/zinc/08/39/05/946083905.db2.gz GBPWGPWDHAVTSZ-UHFFFAOYSA-N 0 3 372.472 3.827 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000522975104 946194759 /nfs/dbraw/zinc/19/47/59/946194759.db2.gz POWWUYHQYJXOOK-LJQANCHMSA-N 0 3 373.497 3.926 20 30 FHEDHN N#Cc1ccc(CN2CCCN(CC#Cc3ccccc3Cl)CC2)cc1 ZINC000441167611 946276115 /nfs/dbraw/zinc/27/61/15/946276115.db2.gz IBZSPLOMPHYZSL-UHFFFAOYSA-N 0 3 363.892 3.771 20 30 FHEDHN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000441337990 946445751 /nfs/dbraw/zinc/44/57/51/946445751.db2.gz KMZAEEWUMBNIES-JJXUHFIVSA-N 0 3 354.425 3.520 20 30 FHEDHN CCN1CCCC[C@H]1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000520347186 946454483 /nfs/dbraw/zinc/45/44/83/946454483.db2.gz PRRVVSVJEQOCNO-IBGZPJMESA-N 0 3 363.461 3.955 20 30 FHEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)CC(=O)NCc1cccc(C#N)c1 ZINC000441359237 946485253 /nfs/dbraw/zinc/48/52/53/946485253.db2.gz QULLRAGOXRFBFV-JOCHJYFZSA-N 0 3 363.505 3.826 20 30 FHEDHN C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475322954 946897563 /nfs/dbraw/zinc/89/75/63/946897563.db2.gz VCKRZEVAYNQCCL-LJQANCHMSA-N 0 3 350.462 3.598 20 30 FHEDHN CNC(=O)c1cccc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000328646269 946963942 /nfs/dbraw/zinc/96/39/42/946963942.db2.gz GSZZAFJUADECES-GOSISDBHSA-N 0 3 352.482 3.533 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2sc([C@@H]3CCCOC3)nc2C)CC1 ZINC000328798406 947050587 /nfs/dbraw/zinc/05/05/87/947050587.db2.gz GBFXGPGYMPGPRB-OAHLLOKOSA-N 0 3 363.527 3.691 20 30 FHEDHN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)c1 ZINC000328941299 947094898 /nfs/dbraw/zinc/09/48/98/947094898.db2.gz FGVKMVHYWOANGQ-DIJFTKHXSA-N 0 3 360.498 3.532 20 30 FHEDHN C=CC[C@H]1N(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCCC1(C)C ZINC000444778114 947214175 /nfs/dbraw/zinc/21/41/75/947214175.db2.gz HNGCGNIIUZXJEC-PZJWPPBQSA-N 0 3 369.553 3.696 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000662085843 947222126 /nfs/dbraw/zinc/22/21/26/947222126.db2.gz KXAURRJVTJLNJM-GASCZTMLSA-N 0 3 356.363 3.644 20 30 FHEDHN C=CCN1CCC(Nc2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301195909 947227470 /nfs/dbraw/zinc/22/74/70/947227470.db2.gz YULFYJLZJVTVGX-UHFFFAOYSA-N 0 3 367.453 3.677 20 30 FHEDHN C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C1=CCN(C)CC1 ZINC000330780883 947271945 /nfs/dbraw/zinc/27/19/45/947271945.db2.gz FFXMREYQXAJVIX-AWEZNQCLSA-N 0 3 361.534 3.912 20 30 FHEDHN C[C@H]1CCCCN1CCNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000330901275 947307615 /nfs/dbraw/zinc/30/76/15/947307615.db2.gz AYJPPKDKAHKIMH-AWEZNQCLSA-N 0 3 363.477 3.989 20 30 FHEDHN C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000248734931 947310228 /nfs/dbraw/zinc/31/02/28/947310228.db2.gz KNPXCHQSJYJIBL-CSODHUTKSA-N 0 3 363.461 3.643 20 30 FHEDHN CCN1CCN(c2ccc(NCc3ccc(C#N)c(OC)c3)c(C)c2)CC1 ZINC000440610432 947358363 /nfs/dbraw/zinc/35/83/63/947358363.db2.gz DPHFATODSDBBBX-UHFFFAOYSA-N 0 3 364.493 3.629 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000126780511 947399965 /nfs/dbraw/zinc/39/99/65/947399965.db2.gz MROPUVVDTXNABA-YOEHRIQHSA-N 0 3 365.880 3.675 20 30 FHEDHN COc1ccccc1[C@@H](CNCc1ccc(C#N)c(OC)c1)OC(C)C ZINC000440631429 947430924 /nfs/dbraw/zinc/43/09/24/947430924.db2.gz AAFSWFMICGFVAO-OAQYLSRUSA-N 0 3 354.450 3.831 20 30 FHEDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cccc(CC#N)c2)N(C)C)cc1 ZINC000520450134 947450099 /nfs/dbraw/zinc/45/00/99/947450099.db2.gz CEXSNFDHYJLFSB-JOCHJYFZSA-N 0 3 363.505 3.984 20 30 FHEDHN C=CC[C@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000188997874 947578358 /nfs/dbraw/zinc/57/83/58/947578358.db2.gz WMPXPSUVCZMOBI-KNKQGSTJSA-N 0 3 370.537 3.694 20 30 FHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2c(s1)CCNC2 ZINC000662449806 947819627 /nfs/dbraw/zinc/81/96/27/947819627.db2.gz VHDLVVLTERIUTO-UHFFFAOYSA-N 0 3 352.912 3.937 20 30 FHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(I)c1 ZINC000585742960 948254534 /nfs/dbraw/zinc/25/45/34/948254534.db2.gz JSBFGKMALGOVQU-KRWDZBQOSA-N 0 3 374.225 3.940 20 30 FHEDHN Cc1cc(F)cc(CN2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001143586729 948405090 /nfs/dbraw/zinc/40/50/90/948405090.db2.gz UMVATBNXTRCPMF-QFIPXVFZSA-N 0 3 363.436 3.635 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000520696070 948598731 /nfs/dbraw/zinc/59/87/31/948598731.db2.gz UTCUHIYMYLYNHH-UHFFFAOYSA-N 0 3 357.376 3.747 20 30 FHEDHN C=CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)NC2(C)C ZINC000523956140 948733147 /nfs/dbraw/zinc/73/31/47/948733147.db2.gz AHERBCNRINIUKG-UHFFFAOYSA-N 0 3 364.511 3.989 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000186688850 567969672 /nfs/dbraw/zinc/96/96/72/567969672.db2.gz PDJUSKCAYXZXIO-UHFFFAOYSA-N 0 3 364.449 3.593 20 30 FHEDHN CC(C)N1CCN(c2cccc(N[C@@H](C)CC3(C#N)CCOCC3)c2)CC1 ZINC000602494459 567986468 /nfs/dbraw/zinc/98/64/68/567986468.db2.gz YVWWKUFHWMBOQW-IBGZPJMESA-N 0 3 370.541 3.728 20 30 FHEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000481486526 567989287 /nfs/dbraw/zinc/98/92/87/567989287.db2.gz QBAFBFDCHGROHB-JLTOFOAXSA-N 0 3 371.868 3.906 20 30 FHEDHN COc1cc(Br)c(CNC2CCC(C#N)CC2)cc1OC ZINC000602544420 567989985 /nfs/dbraw/zinc/98/99/85/567989985.db2.gz RDAOVEKGGCWNLX-UHFFFAOYSA-N 0 3 353.260 3.638 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccc(Br)cc1 ZINC000602544618 567990059 /nfs/dbraw/zinc/99/00/59/567990059.db2.gz NAPCUPYOGWTODP-AWEZNQCLSA-N 0 3 367.287 3.516 20 30 FHEDHN N#CCC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602583678 567994028 /nfs/dbraw/zinc/99/40/28/567994028.db2.gz TWYBMBHFQDPGMQ-LJQANCHMSA-N 0 3 365.437 3.593 20 30 FHEDHN CCOc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1OC(F)F ZINC000602567158 567995674 /nfs/dbraw/zinc/99/56/74/567995674.db2.gz INLJUTYCZUVMSS-CQSZACIVSA-N 0 3 368.424 3.875 20 30 FHEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000602571890 567996189 /nfs/dbraw/zinc/99/61/89/567996189.db2.gz WCYAAKXTFMLSRL-RDJZCZTQSA-N 0 3 358.873 3.726 20 30 FHEDHN CCOCCOc1cc(C)ccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602575960 567996695 /nfs/dbraw/zinc/99/66/95/567996695.db2.gz KJQNBDKAMPBMEN-GOSISDBHSA-N 0 3 360.498 3.599 20 30 FHEDHN COc1cc(Br)ccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602620938 567998549 /nfs/dbraw/zinc/99/85/49/567998549.db2.gz AWGRLFYQSUBXAS-CYBMUJFWSA-N 0 3 367.287 3.646 20 30 FHEDHN CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000602599906 568000416 /nfs/dbraw/zinc/00/04/16/568000416.db2.gz TWTKGAHICIIMOA-FQEVSTJZSA-N 0 3 365.477 3.635 20 30 FHEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000481530656 568016431 /nfs/dbraw/zinc/01/64/31/568016431.db2.gz SKYHKVLRESRGTM-XOBRGWDASA-N 0 3 374.868 3.965 20 30 FHEDHN N#Cc1ccccc1-c1ccc(CN2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000584662982 568024210 /nfs/dbraw/zinc/02/42/10/568024210.db2.gz QLAKOEIPICRTNJ-JOCHJYFZSA-N 0 3 361.489 3.522 20 30 FHEDHN C=CCOc1c(Br)cc(CNC(C)(C)COC)cc1OC ZINC000066996147 568072851 /nfs/dbraw/zinc/07/28/51/568072851.db2.gz XHEVABJOGJNBNB-UHFFFAOYSA-N 0 3 358.276 3.537 20 30 FHEDHN N#CC(C(=O)c1ccc(Oc2ccccc2)nc1)c1nnc2n1CCCCC2 ZINC000603627414 568127414 /nfs/dbraw/zinc/12/74/14/568127414.db2.gz JHHMWDLAKIBRMJ-KRWDZBQOSA-N 0 3 373.416 3.682 20 30 FHEDHN C[C@H](NCC(=O)NCc1ccc(C#N)cc1)C1(c2ccccc2)CCCC1 ZINC000481835351 568145495 /nfs/dbraw/zinc/14/54/95/568145495.db2.gz DHDPVOFDIVOVKL-SFHVURJKSA-N 0 3 361.489 3.665 20 30 FHEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000568754163 568180244 /nfs/dbraw/zinc/18/02/44/568180244.db2.gz DUECMXJUQUDLQG-TZIWHRDSSA-N 0 3 368.502 3.505 20 30 FHEDHN Cc1cccc(OC[C@@H](O)CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481913856 568182077 /nfs/dbraw/zinc/18/20/77/568182077.db2.gz HXTQVFOHAVLYQY-UGKGYDQZSA-N 0 3 350.462 3.664 20 30 FHEDHN C=CCC[C@H](NC(=O)Nc1cnn(C2CCN(C)CC2)c1)c1ccccc1 ZINC000636953511 568222017 /nfs/dbraw/zinc/22/20/17/568222017.db2.gz MXYMQGZZMOUVFP-FQEVSTJZSA-N 0 3 367.497 3.979 20 30 FHEDHN Cc1ccc(Br)cc1CNCc1cnc2ccc(C#N)cn12 ZINC000190296334 568252825 /nfs/dbraw/zinc/25/28/25/568252825.db2.gz FNLQCNBJUDCWAF-UHFFFAOYSA-N 0 3 355.239 3.567 20 30 FHEDHN COc1ccc2c(c1)C[C@@H](C)N(CCC(=O)Nc1ccc(C#N)cc1)[C@H]2C ZINC000541948042 568271922 /nfs/dbraw/zinc/27/19/22/568271922.db2.gz DUGDLLKOEBUFOF-CVEARBPZSA-N 0 3 363.461 3.903 20 30 FHEDHN COc1cc(C#N)ccc1CN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569173770 568299527 /nfs/dbraw/zinc/29/95/27/568299527.db2.gz DIFJUDWHBBTOJN-UYAOXDASSA-N 0 3 373.859 3.894 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000569516101 568404616 /nfs/dbraw/zinc/40/46/16/568404616.db2.gz BPVOLRFAIFGJPA-XJKSGUPXSA-N 0 3 353.491 3.780 20 30 FHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1c[nH]nc1-c1ccccc1F ZINC000569532185 568405947 /nfs/dbraw/zinc/40/59/47/568405947.db2.gz RPTGTUTWYZBTKL-UHFFFAOYSA-N 0 3 364.424 3.736 20 30 FHEDHN C[C@@]1(NC(=O)c2cc(C#N)ccc2Cl)CCN(Cc2ccccc2)C1 ZINC000569609708 568409802 /nfs/dbraw/zinc/40/98/02/568409802.db2.gz YKHIPRVJCAYUCJ-HXUWFJFHSA-N 0 3 353.853 3.606 20 30 FHEDHN N#Cc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)nc2ccccc12 ZINC000569851200 568426388 /nfs/dbraw/zinc/42/63/88/568426388.db2.gz PIMLYHZUOHTIDU-UHFFFAOYSA-N 0 3 360.436 3.958 20 30 FHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CC(=O)N(c3ccc(Cl)c(F)c3)C1)CC2 ZINC000569974629 568445430 /nfs/dbraw/zinc/44/54/30/568445430.db2.gz VBVMTVPXKQQAGE-LIRRHRJNSA-N 0 3 369.827 3.733 20 30 FHEDHN COc1cc(CNCc2ccc(OCc3ccncc3)cc2)ccc1C#N ZINC000570131855 568453088 /nfs/dbraw/zinc/45/30/88/568453088.db2.gz UJOPGHHUBPOMBF-UHFFFAOYSA-N 0 3 359.429 3.831 20 30 FHEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CCOc2ccccc21)C(C)C ZINC000605128118 568580226 /nfs/dbraw/zinc/58/02/26/568580226.db2.gz XJURCHPFUDDINP-UYAOXDASSA-N 0 3 356.510 3.758 20 30 FHEDHN C=CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605168058 568595985 /nfs/dbraw/zinc/59/59/85/568595985.db2.gz SFZSQGWDHQWGPW-GOEBONIOSA-N 0 3 355.404 3.574 20 30 FHEDHN C=CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605168060 568596026 /nfs/dbraw/zinc/59/60/26/568596026.db2.gz SFZSQGWDHQWGPW-ZBFHGGJFSA-N 0 3 355.404 3.574 20 30 FHEDHN N#Cc1c(F)ccc(CNC[C@@H]2CCCN(Cc3cccnc3)C2)c1Cl ZINC000365402407 568620840 /nfs/dbraw/zinc/62/08/40/568620840.db2.gz BLYFUYNNUICFLV-INIZCTEOSA-N 0 3 372.875 3.748 20 30 FHEDHN N#CC(C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccn1 ZINC000122013163 936365105 /nfs/dbraw/zinc/36/51/05/936365105.db2.gz LQEFGDCMOOKQJE-SFHVURJKSA-N 0 3 365.396 3.819 20 30 FHEDHN C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1 ZINC000047956437 927098245 /nfs/dbraw/zinc/09/82/45/927098245.db2.gz WOWDTXJQRQMLAF-QAPCUYQASA-N 0 3 368.506 3.817 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)c1cccc(CC#N)c1)c1cccc(OC)c1 ZINC000049619295 927549085 /nfs/dbraw/zinc/54/90/85/927549085.db2.gz GOGLEPODTPZHNN-OAQYLSRUSA-N 0 3 365.477 3.574 20 30 FHEDHN CSc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000162626773 937209256 /nfs/dbraw/zinc/20/92/56/937209256.db2.gz PBBSKFYHQCAERN-UHFFFAOYSA-N 0 3 368.506 3.876 20 30 FHEDHN N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)c1 ZINC000120323754 928133296 /nfs/dbraw/zinc/13/32/96/928133296.db2.gz GOVQOUKHAJQKQY-LJQANCHMSA-N 0 3 359.433 3.559 20 30 FHEDHN N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)c1 ZINC000120323754 928133317 /nfs/dbraw/zinc/13/33/17/928133317.db2.gz GOVQOUKHAJQKQY-LJQANCHMSA-N 0 3 359.433 3.559 20 30 FHEDHN C[C@@H](Sc1ccccc1Cl)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126978697 928351536 /nfs/dbraw/zinc/35/15/36/928351536.db2.gz GFCUMRSUFRAOPG-UKRRQHHQSA-N 0 3 372.877 3.846 20 30 FHEDHN Cc1cc(C)c(CC(C(=O)Nc2ccncc2C#N)C(F)(F)F)c(C)c1 ZINC000535966721 937253703 /nfs/dbraw/zinc/25/37/03/937253703.db2.gz SXYZLGQEJFJHJM-MRXNPFEDSA-N 0 3 361.367 3.660 20 30 FHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179503215 928783122 /nfs/dbraw/zinc/78/31/22/928783122.db2.gz AZQILUJCBTYYMH-INIZCTEOSA-N 0 3 374.410 3.932 20 30 FHEDHN N#Cc1ccc(CN2CCCN(CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000533443345 928894381 /nfs/dbraw/zinc/89/43/81/928894381.db2.gz SRPKOAIBBAOLET-UHFFFAOYSA-N 0 3 363.892 3.771 20 30 FHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(CCC#N)CC1 ZINC000583319011 937343561 /nfs/dbraw/zinc/34/35/61/937343561.db2.gz UGHVLRZBNCUEBX-NRFANRHFSA-N 0 3 370.541 3.868 20 30 FHEDHN COc1ccc(CC[C@@H]2CCCCN2Cc2ccc(C#N)cn2)cc1OC ZINC000583330464 937352395 /nfs/dbraw/zinc/35/23/95/937352395.db2.gz ZZSTZBVBFPIWCO-FQEVSTJZSA-N 0 3 365.477 3.958 20 30 FHEDHN C[C@H](NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348942 930065240 /nfs/dbraw/zinc/06/52/40/930065240.db2.gz CZKBNIDURYDECO-FIKGOQFSSA-N 0 3 362.477 3.754 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000610350346 930085957 /nfs/dbraw/zinc/08/59/57/930085957.db2.gz SNXUICCFMQYHPA-JXFKEZNVSA-N 0 3 350.466 3.530 20 30 FHEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2cc(C#N)cs2)CC1 ZINC000177696815 930168051 /nfs/dbraw/zinc/16/80/51/930168051.db2.gz MQEVKRIIPCPDIL-HNNXBMFYSA-N 0 3 372.513 3.752 20 30 FHEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)c1cccc(C#N)c1 ZINC000074918585 930600103 /nfs/dbraw/zinc/60/01/03/930600103.db2.gz IKTJWQVSWCLWLE-MRXNPFEDSA-N 0 3 368.456 3.532 20 30 FHEDHN N#Cc1ccncc1N1CCN(CCCc2cccc3ccccc32)CC1 ZINC000519059891 945070032 /nfs/dbraw/zinc/07/00/32/945070032.db2.gz FDOVCYCQXLGUJO-UHFFFAOYSA-N 0 3 356.473 3.861 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)COc2cccc(C(C)C)c2)c1 ZINC000127158422 931644854 /nfs/dbraw/zinc/64/48/54/931644854.db2.gz FJKUUYACJZUWKJ-IBGZPJMESA-N 0 3 366.417 3.545 20 30 FHEDHN CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548287735 932832591 /nfs/dbraw/zinc/83/25/91/932832591.db2.gz KLNZWFRKYQXKBF-GOSISDBHSA-N 0 3 353.853 3.558 20 30 FHEDHN N#CCc1ccc(OC[C@H](O)CN2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000610605344 933513064 /nfs/dbraw/zinc/51/30/64/933513064.db2.gz YUMMBBXOWBGKLB-IRLDBZIGSA-N 0 3 368.452 3.859 20 30 FHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCc2ccc(C)s2)cc1 ZINC000176020930 933549363 /nfs/dbraw/zinc/54/93/63/933549363.db2.gz LKMQNXFQZYZKOT-KRWDZBQOSA-N 0 3 356.447 3.735 20 30 FHEDHN C=CCOc1cccc(NC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000510745673 933618086 /nfs/dbraw/zinc/61/80/86/933618086.db2.gz CBFYVVCPFGVAOP-UHFFFAOYSA-N 0 3 365.477 3.821 20 30 FHEDHN CN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000471927182 933835079 /nfs/dbraw/zinc/83/50/79/933835079.db2.gz ADJCPGXNMZEEGK-ROUUACIJSA-N 0 3 354.841 3.779 20 30 FHEDHN C[C@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(OCC#N)cc1 ZINC000276891135 933880952 /nfs/dbraw/zinc/88/09/52/933880952.db2.gz HSBHACJTCLZROK-OXJNMPFZSA-N 0 3 355.482 3.563 20 30 FHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000561764568 934078399 /nfs/dbraw/zinc/07/83/99/934078399.db2.gz DANLFCSXEABIDD-MRXNPFEDSA-N 0 3 367.497 3.757 20 30 FHEDHN C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610774852 934158116 /nfs/dbraw/zinc/15/81/16/934158116.db2.gz YCZUIJYRONVLMM-LAUBAEHRSA-N 0 3 362.477 3.535 20 30 FHEDHN CN(C(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000610774919 934161630 /nfs/dbraw/zinc/16/16/30/934161630.db2.gz BKTKAPLCONGHTE-HXUWFJFHSA-N 0 3 372.472 3.511 20 30 FHEDHN CN(C)CCN(Cc1ccsc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000458225158 934397152 /nfs/dbraw/zinc/39/71/52/934397152.db2.gz PEUBAGXRFJRLNT-IBGZPJMESA-N 0 3 355.507 3.726 20 30 FHEDHN C=CCCn1cc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nn1 ZINC000657299872 935019707 /nfs/dbraw/zinc/01/97/07/935019707.db2.gz ACOYQLVBPJAPFD-GHMZBOCLSA-N 0 3 370.341 3.853 20 30 FHEDHN CN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCN(C2CC2)C1 ZINC000539210024 935083143 /nfs/dbraw/zinc/08/31/43/935083143.db2.gz ZIOAECVKWRQPBI-NRFANRHFSA-N 0 3 374.488 3.603 20 30 FHEDHN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)C(=O)N(CCC#N)c1ccccc1 ZINC000507263751 945087603 /nfs/dbraw/zinc/08/76/03/945087603.db2.gz CPFXNXFJCRYACX-JKSUJKDBSA-N 0 3 361.449 3.549 20 30 FHEDHN CCN(Cc1ccccc1OCC(=O)N(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000119870063 935306676 /nfs/dbraw/zinc/30/66/76/935306676.db2.gz YMBFIFSGWNUVPM-QGZVFWFLSA-N 0 3 365.477 3.608 20 30 FHEDHN CCN1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000091174694 935452331 /nfs/dbraw/zinc/45/23/31/935452331.db2.gz MHSRGGPLRNCYAZ-UHFFFAOYSA-N 0 3 364.449 3.910 20 30 FHEDHN N#CC(C(=O)CCc1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 ZINC000051653874 935640181 /nfs/dbraw/zinc/64/01/81/935640181.db2.gz YEHKYDIHQSNHER-AWEZNQCLSA-N 0 3 353.249 3.694 20 30 FHEDHN N#CCc1ccsc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1N1CCCC1 ZINC000892260739 935686674 /nfs/dbraw/zinc/68/66/74/935686674.db2.gz CIFONTLYIWYOQQ-RBUKOAKNSA-N 0 3 365.502 3.696 20 30 FHEDHN CC[C@@H](C)N[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000509566043 945119224 /nfs/dbraw/zinc/11/92/24/945119224.db2.gz COLDVFWYLMKFHX-QAPCUYQASA-N 0 3 366.465 3.569 20 30 FHEDHN CC(C)(C)c1ccccc1OCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000127985982 935878324 /nfs/dbraw/zinc/87/83/24/935878324.db2.gz KMFVDORILNGYSE-INIZCTEOSA-N 0 3 350.418 3.710 20 30 FHEDHN COc1ccc([C@@H](CCC#N)N[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000375723192 935892564 /nfs/dbraw/zinc/89/25/64/935892564.db2.gz DEJYYBURASMWEP-UYAOXDASSA-N 0 3 350.466 3.694 20 30 FHEDHN N#CC(C(=O)CCSc1ccccn1)C(=O)Nc1ccc(Cl)cc1 ZINC000176722773 935933274 /nfs/dbraw/zinc/93/32/74/935933274.db2.gz BSIFEPRFOULGMI-CQSZACIVSA-N 0 3 359.838 3.565 20 30 FHEDHN C=CCN1CCC(NC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000255520227 935946450 /nfs/dbraw/zinc/94/64/50/935946450.db2.gz VVLVYHVQIPJBCF-YPKPFQOOSA-N 0 3 352.400 3.875 20 30 FHEDHN CN(Cc1ccc(Br)c(F)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000755195635 935961248 /nfs/dbraw/zinc/96/12/48/935961248.db2.gz PGEZEIJGJPVSTR-QGZVFWFLSA-N 0 3 363.230 3.625 20 30 FHEDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(C(F)(F)F)c(C#N)n3)cccc21 ZINC000548759400 936008815 /nfs/dbraw/zinc/00/88/15/936008815.db2.gz UIKFPIVLEFDFAN-OAHLLOKOSA-N 0 3 362.355 3.523 20 30 FHEDHN Cc1cccc(C)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000161831088 936309112 /nfs/dbraw/zinc/30/91/12/936309112.db2.gz VXFMMTCJWRHDEI-UHFFFAOYSA-N 0 3 350.466 3.771 20 30 FHEDHN N#CC(C(=O)c1cccnc1OCC(F)F)c1ccc2ccccc2n1 ZINC000093243631 938253211 /nfs/dbraw/zinc/25/32/11/938253211.db2.gz CXJHAMFLSTUISP-AWEZNQCLSA-N 0 3 353.328 3.764 20 30 FHEDHN CCN(CC)[C@@H](CNc1nc2cc(Cl)ccn2c1C#N)c1ccco1 ZINC000583951691 938498138 /nfs/dbraw/zinc/49/81/38/938498138.db2.gz LLRYDUKHNSSZTC-HNNXBMFYSA-N 0 3 357.845 3.947 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(-c3nc(C)co3)c2)CC1 ZINC000158455667 938528499 /nfs/dbraw/zinc/52/84/99/938528499.db2.gz OBMBAKHZTWYKOF-UHFFFAOYSA-N 0 3 354.454 3.812 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC=C(c3cccc(OC)c3)CC2)CC1 ZINC000531208897 945193221 /nfs/dbraw/zinc/19/32/21/945193221.db2.gz MVSJTBQUNAWZMI-UHFFFAOYSA-N 0 3 369.509 3.534 20 30 FHEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccccc2C#N)CC1 ZINC000179085104 938801968 /nfs/dbraw/zinc/80/19/68/938801968.db2.gz HFCBRFRTCYWRNS-QGZVFWFLSA-N 0 3 366.484 3.690 20 30 FHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000248759202 938887159 /nfs/dbraw/zinc/88/71/59/938887159.db2.gz GKXKZWJDVPYPOD-BFQNTYOBSA-N 0 3 352.265 3.771 20 30 FHEDHN N#CCCC[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000458799746 938937833 /nfs/dbraw/zinc/93/78/33/938937833.db2.gz KBDMHGGMJJJECM-HXUWFJFHSA-N 0 3 354.498 3.691 20 30 FHEDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000472336199 938994085 /nfs/dbraw/zinc/99/40/85/938994085.db2.gz DNWZTOKTDSUPEX-ZNLUXHQJSA-N 0 3 359.473 3.617 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C=CSCc1ccco1 ZINC000255658231 939064971 /nfs/dbraw/zinc/06/49/71/939064971.db2.gz USXBDYOMPZULAC-ZHUYAKLQSA-N 0 3 370.430 3.773 20 30 FHEDHN N#CC(C(=O)c1ccc(NC(=O)C2CC2)cc1)c1nc(C2CC2)cs1 ZINC000647372651 939066107 /nfs/dbraw/zinc/06/61/07/939066107.db2.gz RAJRLXYBLGJCMY-HNNXBMFYSA-N 0 3 351.431 3.859 20 30 FHEDHN N#CC(C(=O)c1ccc2c(c1)CCCC(=O)N2)c1nc(C2CC2)cs1 ZINC000647376895 939073513 /nfs/dbraw/zinc/07/35/13/939073513.db2.gz AQZPUDBBKSCZBP-CQSZACIVSA-N 0 3 351.431 3.785 20 30 FHEDHN C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000425784252 945240107 /nfs/dbraw/zinc/24/01/07/945240107.db2.gz JTAABRMFHWWOHZ-XGHQBKJUSA-N 0 3 364.493 3.952 20 30 FHEDHN N#CC(C(=O)C[C@@H]1CCC2(CCC2)CO1)C(=O)Nc1ccccc1Cl ZINC000892489142 940018901 /nfs/dbraw/zinc/01/89/01/940018901.db2.gz FDKGJMXOJMEIFC-UONOGXRCSA-N 0 3 360.841 3.727 20 30 FHEDHN CN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000065897420 940040005 /nfs/dbraw/zinc/04/00/05/940040005.db2.gz GMVGBUBBFICURM-SFHVURJKSA-N 0 3 351.425 3.572 20 30 FHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C\c1ccccc1C#N ZINC000255865412 940057278 /nfs/dbraw/zinc/05/72/78/940057278.db2.gz ZFKSTWSVUVCBKN-SYGIOELKSA-N 0 3 359.473 3.694 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2cccc2)c1 ZINC000065931070 940078445 /nfs/dbraw/zinc/07/84/45/940078445.db2.gz JNXJRIJEMQZLCD-UHFFFAOYSA-N 0 3 372.472 3.553 20 30 FHEDHN CCc1ccc(CCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930042 940078466 /nfs/dbraw/zinc/07/84/66/940078466.db2.gz BOQIRXVLSMOUDV-UHFFFAOYSA-N 0 3 363.505 3.644 20 30 FHEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1 ZINC000065937731 940086614 /nfs/dbraw/zinc/08/66/14/940086614.db2.gz UJRDDFOHRAJMKQ-UHFFFAOYSA-N 0 3 374.431 3.734 20 30 FHEDHN Cc1nc(C(C)C)ncc1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892499195 940090835 /nfs/dbraw/zinc/09/08/35/940090835.db2.gz UAGLVRHJWPUCFH-GFCCVEGCSA-N 0 3 374.803 3.662 20 30 FHEDHN CN(CCn1cc(Br)cn1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000588986263 940118155 /nfs/dbraw/zinc/11/81/55/940118155.db2.gz PFQDNSPWZSSGOQ-UHFFFAOYSA-N 0 3 361.287 3.579 20 30 FHEDHN C/C(=C/c1ccc(F)cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000255873575 940311160 /nfs/dbraw/zinc/31/11/60/940311160.db2.gz RWBRZQCTDSSCNH-LGMDPLHJSA-N 0 3 365.452 3.691 20 30 FHEDHN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@H](N)CCCC#N)C1 ZINC000519610095 945316746 /nfs/dbraw/zinc/31/67/46/945316746.db2.gz SHOMNZHWQMQLNM-DAXOMENPSA-N 0 3 353.388 3.636 20 30 FHEDHN N#Cc1csc(CNCCc2c[nH]c3ccc(Br)cc23)n1 ZINC000580679762 940483553 /nfs/dbraw/zinc/48/35/53/940483553.db2.gz NTHOPINYUIHHTG-UHFFFAOYSA-N 0 3 361.268 3.591 20 30 FHEDHN C[C@H](NCc1ccc(Br)cc1C#N)[C@H]1COc2ccccc21 ZINC000581842243 940626599 /nfs/dbraw/zinc/62/65/99/940626599.db2.gz ABCXYLOYPYBLMF-YVEFUNNKSA-N 0 3 357.251 3.975 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC1 ZINC000174067190 940699565 /nfs/dbraw/zinc/69/95/65/940699565.db2.gz NQWAXZKHYIAJRQ-UHFFFAOYSA-N 0 3 361.461 3.919 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000174098046 940706816 /nfs/dbraw/zinc/70/68/16/940706816.db2.gz UXQYGGGOBCJLFU-UHFFFAOYSA-N 0 3 366.387 3.739 20 30 FHEDHN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124913119 945354533 /nfs/dbraw/zinc/35/45/33/945354533.db2.gz LQENPGCDBPRXHQ-PWSUYJOCSA-N 0 3 371.289 3.805 20 30 FHEDHN N#Cc1ccc(CN2CCC(Nc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000540973363 941010283 /nfs/dbraw/zinc/01/02/83/941010283.db2.gz ZXJOHLCNGMQBFL-UHFFFAOYSA-N 0 3 357.461 3.820 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCN(C(=O)C3CCCCC3)C2)c([O-])c1 ZINC000255909353 941012249 /nfs/dbraw/zinc/01/22/49/941012249.db2.gz YZLXQNFXIICBIF-IQJJTXKVSA-N 0 3 371.525 3.839 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)CC1 ZINC000176453595 941044922 /nfs/dbraw/zinc/04/49/22/941044922.db2.gz LCBWQMFJQCLNIU-NRFANRHFSA-N 0 3 367.468 3.865 20 30 FHEDHN C=CCN(CC=C)C(=O)CN1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000613566257 941222692 /nfs/dbraw/zinc/22/26/92/941222692.db2.gz BPFZVCHCDFKVFH-UHFFFAOYSA-N 0 3 351.494 3.856 20 30 FHEDHN C=CCN(CC)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000376588897 941259566 /nfs/dbraw/zinc/25/95/66/941259566.db2.gz OTKYJCNPZQLPNX-IBGZPJMESA-N 0 3 367.497 3.678 20 30 FHEDHN Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(-n2cc(Cl)cn2)n1 ZINC000189898779 941297013 /nfs/dbraw/zinc/29/70/13/941297013.db2.gz PUYUBVTURZGWGO-AWEZNQCLSA-N 0 3 351.841 3.952 20 30 FHEDHN C[C@H]1OCC[C@@H]1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000163643536 941299839 /nfs/dbraw/zinc/29/98/39/941299839.db2.gz OHAOEHTXDXJOLB-MRRJBJDNSA-N 0 3 358.488 3.897 20 30 FHEDHN C=CCS(=O)(=O)CCNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000782969056 941354183 /nfs/dbraw/zinc/35/41/83/941354183.db2.gz UWRKYECNJACMAJ-UHFFFAOYSA-N 0 3 367.555 3.678 20 30 FHEDHN C[C@@H](N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cccc(C#N)c1 ZINC000181526280 941431426 /nfs/dbraw/zinc/43/14/26/941431426.db2.gz UQZBTWCOAKVRBL-JKSUJKDBSA-N 0 3 363.461 3.627 20 30 FHEDHN CN(C(=O)NCC(C)(C)CCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000377045813 941503088 /nfs/dbraw/zinc/50/30/88/941503088.db2.gz UYOYSOAKFOCPQC-IBGZPJMESA-N 0 3 356.514 3.622 20 30 FHEDHN C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)CN1 ZINC000415154521 941636534 /nfs/dbraw/zinc/63/65/34/941636534.db2.gz YBIWQVLXAZVKLS-HUUCEWRRSA-N 0 3 350.422 3.565 20 30 FHEDHN CS[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000415173586 941649308 /nfs/dbraw/zinc/64/93/08/941649308.db2.gz RRSSMQFMLKXEQA-FQEVSTJZSA-N 0 3 367.518 3.553 20 30 FHEDHN C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@@H](C)CN1 ZINC000415239996 941694919 /nfs/dbraw/zinc/69/49/19/941694919.db2.gz PIFPMCFOBRKWNB-KGLIPLIRSA-N 0 3 368.412 3.704 20 30 FHEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000513520636 941980305 /nfs/dbraw/zinc/98/03/05/941980305.db2.gz PKKBULGBRCJXMS-CYBMUJFWSA-N 0 3 360.679 3.516 20 30 FHEDHN CN1CC[C@@H](CNc2ccc(C#N)cc2Br)[C@@H]1c1cccnc1 ZINC000377984453 942124341 /nfs/dbraw/zinc/12/43/41/942124341.db2.gz LBMLXBZBEMSRSL-YJBOKZPZSA-N 0 3 371.282 3.821 20 30 FHEDHN CO[C@]1(C)CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000280626890 942216899 /nfs/dbraw/zinc/21/68/99/942216899.db2.gz XAYBSSSDRXTFTG-WIYYLYMNSA-N 0 3 357.498 3.521 20 30 FHEDHN CN1CCC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000502129135 942236150 /nfs/dbraw/zinc/23/61/50/942236150.db2.gz XGVVOJZHPAQNML-MRXNPFEDSA-N 0 3 351.475 3.533 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COc2ccc(C)cc2C)cc1 ZINC000128411844 942272883 /nfs/dbraw/zinc/27/28/83/942272883.db2.gz NOFBHGONCRFVMJ-GOSISDBHSA-N 0 3 350.418 3.592 20 30 FHEDHN C=CCOc1ccc(CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000501129864 942314698 /nfs/dbraw/zinc/31/46/98/942314698.db2.gz IGXKOZJJLLSPAO-OAQYLSRUSA-N 0 3 368.521 3.866 20 30 FHEDHN COc1ccc(C#N)cc1CN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000513750662 942608539 /nfs/dbraw/zinc/60/85/39/942608539.db2.gz MJOLEMQXLWSFPW-AZUAARDMSA-N 0 3 358.388 3.935 20 30 FHEDHN CC(C)[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000513758529 942799421 /nfs/dbraw/zinc/79/94/21/942799421.db2.gz DDVMVHJPSHFVEN-FQEVSTJZSA-N 0 3 355.869 3.815 20 30 FHEDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000421982548 942917365 /nfs/dbraw/zinc/91/73/65/942917365.db2.gz HMHCCJIYGURCRM-BHIYHBOVSA-N 0 3 370.493 3.585 20 30 FHEDHN CCCC[C@H](ON=C(C)C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000273458330 942961881 /nfs/dbraw/zinc/96/18/81/942961881.db2.gz MIJVWFGMESPQKR-XLIONFOSSA-N 0 3 374.529 3.694 20 30 FHEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000273458325 942962232 /nfs/dbraw/zinc/96/22/32/942962232.db2.gz MIJVWFGMESPQKR-FXAWDEMLSA-N 0 3 374.529 3.694 20 30 FHEDHN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(OCC#N)cc3)ccc2NC1=O ZINC000271702653 943037866 /nfs/dbraw/zinc/03/78/66/943037866.db2.gz HVGICGBVNQKULK-AUUYWEPGSA-N 0 3 365.433 3.549 20 30 FHEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271964658 943075574 /nfs/dbraw/zinc/07/55/74/943075574.db2.gz SINICYYCEYTHLV-RBBKRZOGSA-N 0 3 371.484 3.998 20 30 FHEDHN C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000505596232 943133767 /nfs/dbraw/zinc/13/37/67/943133767.db2.gz KZUCBGMQDXTSET-FOIQADDNSA-N 0 3 367.468 3.783 20 30 FHEDHN CSc1ccc([C@@H](C)N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000503557472 943258861 /nfs/dbraw/zinc/25/88/61/943258861.db2.gz JYTSSUXQEGHPLE-KUHUBIRLSA-N 0 3 351.475 3.736 20 30 FHEDHN CN(C)CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CC1 ZINC000505664665 943338317 /nfs/dbraw/zinc/33/83/17/943338317.db2.gz SSKDJIJSOKYEOM-UHFFFAOYSA-N 0 3 363.461 3.711 20 30 FHEDHN C[C@](CO)(NCc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000511606571 943367465 /nfs/dbraw/zinc/36/74/65/943367465.db2.gz WHYRCLNSYMBYPC-GOSISDBHSA-N 0 3 359.267 3.512 20 30 FHEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc4ccccc4c3)C2=O)cc1 ZINC000503921521 943409512 /nfs/dbraw/zinc/40/95/12/943409512.db2.gz QZMXRUZDAGXBHH-QFIPXVFZSA-N 0 3 355.441 3.997 20 30 FHEDHN N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000503974008 943447144 /nfs/dbraw/zinc/44/71/44/943447144.db2.gz TVEVJVQXWKWTGL-QHCPKHFHSA-N 0 3 371.484 3.839 20 30 FHEDHN C=CC[C@H](C)NC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435538557 943474617 /nfs/dbraw/zinc/47/46/17/943474617.db2.gz WVFBAUALHCOENL-QFBILLFUSA-N 0 3 367.497 3.725 20 30 FHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Br)cc(OC)cc1OC ZINC000435752433 943585929 /nfs/dbraw/zinc/58/59/29/943585929.db2.gz XXUXQBMNJQRSME-YVEFUNNKSA-N 0 3 370.287 3.537 20 30 FHEDHN CC(C)CN(CCN(C)C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435752739 943586092 /nfs/dbraw/zinc/58/60/92/943586092.db2.gz LTGJOJSLWJYERZ-UHFFFAOYSA-N 0 3 354.498 3.605 20 30 FHEDHN Cc1cc(CNC(=O)[C@H](N)CCCC#N)ccc1Oc1ccc(F)cc1 ZINC000424117394 943740311 /nfs/dbraw/zinc/74/03/11/943740311.db2.gz ZDJUMTQIQSZBNP-GOSISDBHSA-N 0 3 355.413 3.564 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000424122084 943743053 /nfs/dbraw/zinc/74/30/53/943743053.db2.gz IWYXYODZSKIMPI-GFCCVEGCSA-N 0 3 368.384 3.789 20 30 FHEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424149915 943753123 /nfs/dbraw/zinc/75/31/23/943753123.db2.gz XVMMNMQGXZPHIN-GOEBONIOSA-N 0 3 356.495 3.659 20 30 FHEDHN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424193785 943781141 /nfs/dbraw/zinc/78/11/41/943781141.db2.gz KVCIIOLYLDVCTC-XJKSGUPXSA-N 0 3 359.271 3.725 20 30 FHEDHN COc1cccc([C@H]2[C@H](NCc3ccc(F)cc3C#N)CCN2C2CC2)c1 ZINC000549476710 943813086 /nfs/dbraw/zinc/81/30/86/943813086.db2.gz GYKTWGISLBSKJZ-YADHBBJMSA-N 0 3 365.452 3.774 20 30 FHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000435883038 943815440 /nfs/dbraw/zinc/81/54/40/943815440.db2.gz IIBSSBQSHDPNBO-KBPBESRZSA-N 0 3 351.288 3.689 20 30 FHEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)nn1 ZINC000424290961 943822155 /nfs/dbraw/zinc/82/21/55/943822155.db2.gz CWRBVIFBRBEIFJ-IAGOWNOFSA-N 0 3 350.388 3.909 20 30 FHEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000424295890 943825436 /nfs/dbraw/zinc/82/54/36/943825436.db2.gz NRDINLTUQPLGME-SJORKVTESA-N 0 3 350.388 3.909 20 30 FHEDHN C=CCOc1ccc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000437469101 943841238 /nfs/dbraw/zinc/84/12/38/943841238.db2.gz GHXLVQSYJMZPSL-LJQANCHMSA-N 0 3 364.489 3.988 20 30 FHEDHN C=CCCc1ccccc1NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000505046820 943981519 /nfs/dbraw/zinc/98/15/19/943981519.db2.gz ZQLJVKSOWKFSIT-UHFFFAOYSA-N 0 3 366.465 3.563 20 30 FHEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000517074785 943982370 /nfs/dbraw/zinc/98/23/70/943982370.db2.gz LREFNSGAWWZBJS-INIZCTEOSA-N 0 3 367.880 3.806 20 30 FHEDHN C=CC[C@@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000364196842 944033488 /nfs/dbraw/zinc/03/34/88/944033488.db2.gz SBGQBHPZWJACRO-BDTNDASRSA-N 0 3 363.505 3.893 20 30 FHEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000436119718 944034916 /nfs/dbraw/zinc/03/49/16/944034916.db2.gz DSQIZTVAAOXMLS-FQEVSTJZSA-N 0 3 351.450 3.663 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000517341262 944219126 /nfs/dbraw/zinc/21/91/26/944219126.db2.gz JXWYSALUIAJNNI-CTNGQTDRSA-N 0 3 355.526 3.738 20 30 FHEDHN CSc1ccc(OC[C@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425528936 944239423 /nfs/dbraw/zinc/23/94/23/944239423.db2.gz AAPMZVNBMBDCDL-MAUKXSAKSA-N 0 3 356.491 3.713 20 30 FHEDHN CC1(C)CN(Cc2cccc(OCc3ccccc3C#N)c2)CC[C@@H]1O ZINC000438334828 944515740 /nfs/dbraw/zinc/51/57/40/944515740.db2.gz ASVVUAZAVWDCDW-NRFANRHFSA-N 0 3 350.462 3.730 20 30 FHEDHN C=CCN1CC[C@@H](N(CC)[C@H](C)Cc2ccccc2C(F)(F)F)C1=O ZINC000499771269 944578354 /nfs/dbraw/zinc/57/83/54/944578354.db2.gz HXPJIVAOTNHMQB-RHSMWYFYSA-N 0 3 354.416 3.745 20 30 FHEDHN CC(C)(C)[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000507018824 944866529 /nfs/dbraw/zinc/86/65/29/944866529.db2.gz AARJIFHGTPARIX-HXUWFJFHSA-N 0 3 353.441 3.691 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000516582089 945035464 /nfs/dbraw/zinc/03/54/64/945035464.db2.gz QXHJDBWYVXMOAC-DYESRHJHSA-N 0 3 362.477 3.535 20 30 FHEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000507612458 945375214 /nfs/dbraw/zinc/37/52/14/945375214.db2.gz CJQIRBOHGJZPRI-XLIONFOSSA-N 0 3 350.462 3.817 20 30 FHEDHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330185147 945392906 /nfs/dbraw/zinc/39/29/06/945392906.db2.gz IYXFFODSVQVYHR-ABSDTBQOSA-N 0 3 352.482 3.661 20 30 FHEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000440326976 945406368 /nfs/dbraw/zinc/40/63/68/945406368.db2.gz IDRQZTXZOWVQFI-PKOBYXMFSA-N 0 3 372.534 3.929 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CC1 ZINC000660707044 945418636 /nfs/dbraw/zinc/41/86/36/945418636.db2.gz LCEIKDVKBRQCLB-UHFFFAOYSA-N 0 3 368.308 3.712 20 30 FHEDHN Cc1ccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)c(Br)c1 ZINC000330273605 945439196 /nfs/dbraw/zinc/43/91/96/945439196.db2.gz ZLIINNDGHKPWDX-XZJROXQQSA-N 0 3 367.287 3.891 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000664901469 945532974 /nfs/dbraw/zinc/53/29/74/945532974.db2.gz DIVRBODNLVDOJE-SVFBPWRDSA-N 0 3 371.525 3.969 20 30 FHEDHN CCC(CC)[C@@H](C(=O)C(C#N)c1nc(C(C)C)cs1)N1CCOCC1 ZINC000125192879 945680069 /nfs/dbraw/zinc/68/00/69/945680069.db2.gz SKYVWOPBOYFJJY-WBVHZDCISA-N 0 3 363.527 3.580 20 30 FHEDHN COc1cc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000440611889 945705066 /nfs/dbraw/zinc/70/50/66/945705066.db2.gz LTVTXUCFNMHXBI-MJGOQNOKSA-N 0 3 360.816 3.979 20 30 FHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccc(OC)cc2OC)no1 ZINC000661116373 945748884 /nfs/dbraw/zinc/74/88/84/945748884.db2.gz JIQSEXPKWUVFCZ-PBHICJAKSA-N 0 3 357.454 3.978 20 30 FHEDHN C=CC[C@H]1CCCC[C@H]1NCc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000661117874 945749922 /nfs/dbraw/zinc/74/99/22/945749922.db2.gz UTSWCYPCUZHMNK-DOTOQJQBSA-N 0 3 372.538 3.745 20 30 FHEDHN C=CCCCN(CC)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000894519211 945881233 /nfs/dbraw/zinc/88/12/33/945881233.db2.gz FTWQRZWKPLTECX-UHFFFAOYSA-N 0 3 361.452 3.789 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)COc2ccc(C(C)C)cc2)c1 ZINC000127075033 945965437 /nfs/dbraw/zinc/96/54/37/945965437.db2.gz XXMCIPLACUYRRC-IBGZPJMESA-N 0 3 366.417 3.545 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)COc2cccc(C(C)C)c2)c1 ZINC000127158154 946038026 /nfs/dbraw/zinc/03/80/26/946038026.db2.gz FJKUUYACJZUWKJ-LJQANCHMSA-N 0 3 366.417 3.545 20 30 FHEDHN C=CCN1CCC(NC(=O)c2cnn(-c3cccc(C)c3)c2CCC)CC1 ZINC000444182865 946040417 /nfs/dbraw/zinc/04/04/17/946040417.db2.gz MMYCZMXKEJEEDF-UHFFFAOYSA-N 0 3 366.509 3.513 20 30 FHEDHN C=CCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(C#N)c1 ZINC000520137402 946196723 /nfs/dbraw/zinc/19/67/23/946196723.db2.gz IVAZXCGQQWDYDP-UHFFFAOYSA-N 0 3 373.456 3.623 20 30 FHEDHN C=CCN(CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)C(C)(C)C ZINC000661755360 946591213 /nfs/dbraw/zinc/59/12/13/946591213.db2.gz PMMLSGTWTJNMHT-SFHVURJKSA-N 0 3 360.498 3.654 20 30 FHEDHN CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCCO1 ZINC000541637436 946706721 /nfs/dbraw/zinc/70/67/21/946706721.db2.gz RRLKHJHLOWDBNT-RBUKOAKNSA-N 0 3 372.513 3.577 20 30 FHEDHN Cc1csc(C(C#N)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000444445711 946797995 /nfs/dbraw/zinc/79/79/95/946797995.db2.gz SAOUEDBBNVIVKZ-HNNXBMFYSA-N 0 3 359.410 3.936 20 30 FHEDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)c1 ZINC000028924914 946829448 /nfs/dbraw/zinc/82/94/48/946829448.db2.gz HLOXOGFBVZZACI-INIZCTEOSA-N 0 3 350.466 3.846 20 30 FHEDHN CC[C@@H]1C[C@@H](CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCO1 ZINC000475357246 946937529 /nfs/dbraw/zinc/93/75/29/946937529.db2.gz ZHLVLHXHXYQXMK-DBVUQKKJSA-N 0 3 361.917 3.727 20 30 FHEDHN CC[C@@H]1C[C@@H](CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCO1 ZINC000475357248 946937555 /nfs/dbraw/zinc/93/75/55/946937555.db2.gz ZHLVLHXHXYQXMK-PWIZWCRZSA-N 0 3 361.917 3.727 20 30 FHEDHN C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000125608638 946953124 /nfs/dbraw/zinc/95/31/24/946953124.db2.gz LDCRIOQJYQDPSB-LLGFUMIMSA-N 0 3 362.477 3.581 20 30 FHEDHN CNC(=O)c1cccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000328646270 946963843 /nfs/dbraw/zinc/96/38/43/946963843.db2.gz GSZZAFJUADECES-SFHVURJKSA-N 0 3 352.482 3.533 20 30 FHEDHN CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)c12 ZINC000328652422 946966997 /nfs/dbraw/zinc/96/69/97/946966997.db2.gz KLRKNSJXXQSYBF-GXTWGEPZSA-N 0 3 356.470 3.668 20 30 FHEDHN Cc1cc2ncc(C(=O)NCCN3CCC4(CCCCC4)CC3)c(C)n2n1 ZINC000328709735 946999840 /nfs/dbraw/zinc/99/98/40/946999840.db2.gz MOTFSOGSEQIGMM-UHFFFAOYSA-N 0 3 369.513 3.697 20 30 FHEDHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328809658 947031400 /nfs/dbraw/zinc/03/14/00/947031400.db2.gz ODQBHSCZAFHAJR-GDBMZVCRSA-N 0 3 358.442 3.531 20 30 FHEDHN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328816592 947035161 /nfs/dbraw/zinc/03/51/61/947035161.db2.gz NXBAXFGRXHABBC-NSGGIEJNSA-N 0 3 368.477 3.678 20 30 FHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328819423 947037106 /nfs/dbraw/zinc/03/71/06/947037106.db2.gz HIASXSLUKTYBHK-XJKSGUPXSA-N 0 3 361.873 3.937 20 30 FHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](C2CCOCC2)C1 ZINC000328819409 947037511 /nfs/dbraw/zinc/03/75/11/947037511.db2.gz HIASXSLUKTYBHK-BBRMVZONSA-N 0 3 361.873 3.937 20 30 FHEDHN Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@@H](C3CCOCC3)C2)c(C)c1 ZINC000328870953 947076787 /nfs/dbraw/zinc/07/67/87/947076787.db2.gz YDWDPRIJBGTVDC-FUHWJXTLSA-N 0 3 373.497 3.942 20 30 FHEDHN N#CC(CCN1CCSC[C@@H]1CCO)(c1ccccc1)c1ccccc1 ZINC000444643722 947085730 /nfs/dbraw/zinc/08/57/30/947085730.db2.gz CRZBPXATKKCMLL-NRFANRHFSA-N 0 3 366.530 3.686 20 30 FHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000444645082 947085899 /nfs/dbraw/zinc/08/58/99/947085899.db2.gz WVFBTAZOKUMSEY-IEBWSBKVSA-N 0 3 371.525 3.874 20 30 FHEDHN CN1C[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)[C@@H](c2ccccc2)C1 ZINC000328926498 947111656 /nfs/dbraw/zinc/11/16/56/947111656.db2.gz FHGVWHWJHDWBEB-APWZRJJASA-N 0 3 363.461 3.968 20 30 FHEDHN COc1c(Cl)cc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1Cl ZINC000330787326 947284679 /nfs/dbraw/zinc/28/46/79/947284679.db2.gz OVOCIXBJZOPHBU-JTQLQIEISA-N 0 3 358.269 3.978 20 30 FHEDHN CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCCN1CCCC[C@@H]1C ZINC000330955298 947316005 /nfs/dbraw/zinc/31/60/05/947316005.db2.gz BCDVMFBKERYORW-ZDUSSCGKSA-N 0 3 364.559 3.983 20 30 FHEDHN C=C[C@H](CC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000126657406 947415108 /nfs/dbraw/zinc/41/51/08/947415108.db2.gz OQLHCORHRUAUAP-SFHLNBCPSA-N 0 3 370.537 3.694 20 30 FHEDHN N#Cc1cccc(COc2cccc(CNCc3ccc(C(N)=O)cc3)c2)c1 ZINC000125720463 947500274 /nfs/dbraw/zinc/50/02/74/947500274.db2.gz DMZLHSBDMGMCFV-UHFFFAOYSA-N 0 3 371.440 3.526 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662312671 947738632 /nfs/dbraw/zinc/73/86/32/947738632.db2.gz YPCOHKDHEZOUGH-UIFIKXQLSA-N 0 3 374.550 3.544 20 30 FHEDHN N#Cc1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])s1 ZINC000893598045 947971206 /nfs/dbraw/zinc/97/12/06/947971206.db2.gz RKTYDTSNCVMMNC-UHFFFAOYSA-N 0 3 374.388 3.745 20 30 FHEDHN N#Cc1ccc(CN(Cc2ccccc2)[C@H](CO)C2CC2)c(OC(F)F)c1 ZINC000549613108 948023274 /nfs/dbraw/zinc/02/32/74/948023274.db2.gz KQHZXFDSSSSBST-LJQANCHMSA-N 0 3 372.415 3.933 20 30 FHEDHN CN1CC[C@H](NCc2ccc(C#N)cc2Br)[C@H]1c1ccccc1 ZINC000585717088 948231463 /nfs/dbraw/zinc/23/14/63/948231463.db2.gz MZJLKFFUKREOQO-RBUKOAKNSA-N 0 3 370.294 3.856 20 30 FHEDHN CC(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)N(C)C ZINC000106916998 948347564 /nfs/dbraw/zinc/34/75/64/948347564.db2.gz PADZFLDXJZBRBR-FQEVSTJZSA-N 0 3 351.450 3.662 20 30 FHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000090106663 948619092 /nfs/dbraw/zinc/61/90/92/948619092.db2.gz ODLYQNIZFMVULD-CQSZACIVSA-N 0 3 367.840 3.522 20 30 FHEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3OC(F)F)CC2)cc1 ZINC000025934044 948718114 /nfs/dbraw/zinc/71/81/14/948718114.db2.gz ACEUYTNSRLHOKC-UHFFFAOYSA-N 0 3 371.431 3.868 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000843692674 948773777 /nfs/dbraw/zinc/77/37/77/948773777.db2.gz FABZMXWNGGBSKI-UHFFFAOYSA-N 0 3 360.763 3.522 20 30 FHEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967531 567889525 /nfs/dbraw/zinc/88/95/25/567889525.db2.gz GXMQPBNYIRNYPQ-VHSXEESVSA-N 0 3 353.253 3.575 20 30 FHEDHN Cc1cc(F)ccc1N(CC#N)C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000602392199 567974904 /nfs/dbraw/zinc/97/49/04/567974904.db2.gz KXFZBIRJMMYOEY-UONOGXRCSA-N 0 3 358.335 3.738 20 30 FHEDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602515767 567986649 /nfs/dbraw/zinc/98/66/49/567986649.db2.gz ZGGBUYFKUJXVHP-KRWDZBQOSA-N 0 3 366.509 3.737 20 30 FHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000602525043 567987690 /nfs/dbraw/zinc/98/76/90/567987690.db2.gz QBGUFQMXCULXJH-QGZVFWFLSA-N 0 3 351.853 3.629 20 30 FHEDHN C=C(C)[C@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1ccc(F)c(F)c1 ZINC000186843785 567991484 /nfs/dbraw/zinc/99/14/84/567991484.db2.gz LULLCGUFROMUJJ-KRWDZBQOSA-N 0 3 351.441 3.708 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(COC2CCOCC2)c1 ZINC000602539955 567992878 /nfs/dbraw/zinc/99/28/78/567992878.db2.gz NNWOTADFCIDYEO-SFHVURJKSA-N 0 3 372.509 3.571 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000602580883 567993668 /nfs/dbraw/zinc/99/36/68/567993668.db2.gz IPAGNDGVJHHOIE-MRXNPFEDSA-N 0 3 358.482 3.830 20 30 FHEDHN C[C@H](CCC#N)CN[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000602587439 567994488 /nfs/dbraw/zinc/99/44/88/567994488.db2.gz GTQNOLMLHSCZLJ-UZLBHIALSA-N 0 3 356.491 3.709 20 30 FHEDHN C[C@H](CCC#N)CN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000602599899 568000467 /nfs/dbraw/zinc/00/04/67/568000467.db2.gz TTWSELAJVCGHIN-WBVHZDCISA-N 0 3 357.502 3.658 20 30 FHEDHN C[C@H](CCC#N)CNCc1c(Br)cncc1Br ZINC000602671971 568008171 /nfs/dbraw/zinc/00/81/71/568008171.db2.gz AUFZQJXVHYWCLK-SECBINFHSA-N 0 3 361.081 3.636 20 30 FHEDHN COc1cc(C#N)ccc1OCCN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481530650 568015539 /nfs/dbraw/zinc/01/55/39/568015539.db2.gz SKYHKVLRESRGTM-JLTOFOAXSA-N 0 3 374.868 3.965 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000481659597 568081736 /nfs/dbraw/zinc/08/17/36/568081736.db2.gz QZQIDPKLVGOXBH-LJQANCHMSA-N 0 3 354.429 3.902 20 30 FHEDHN CS(=O)(=O)Cc1ccccc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481655006 568082069 /nfs/dbraw/zinc/08/20/69/568082069.db2.gz CLCMFFGMTOUUJI-OAQYLSRUSA-N 0 3 368.502 3.660 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000481659596 568082201 /nfs/dbraw/zinc/08/22/01/568082201.db2.gz QZQIDPKLVGOXBH-IBGZPJMESA-N 0 3 354.429 3.902 20 30 FHEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000568742918 568146384 /nfs/dbraw/zinc/14/63/84/568146384.db2.gz ZVPQMNIDZDUAKC-PZJWPPBQSA-N 0 3 368.502 3.505 20 30 FHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291440310 568160132 /nfs/dbraw/zinc/16/01/32/568160132.db2.gz GAFSLFPCEWGEHZ-VQIMIIECSA-N 0 3 364.401 3.588 20 30 FHEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000568754160 568180269 /nfs/dbraw/zinc/18/02/69/568180269.db2.gz DUECMXJUQUDLQG-CTNGQTDRSA-N 0 3 368.502 3.505 20 30 FHEDHN COc1ccc([C@H](C)NCCOc2ccc(C#N)cc2OC)c(C)c1OC ZINC000568916367 568252128 /nfs/dbraw/zinc/25/21/28/568252128.db2.gz WLIMYPHCVQSEME-HNNXBMFYSA-N 0 3 370.449 3.622 20 30 FHEDHN CCN(Cc1ccc(Cl)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604501429 568301839 /nfs/dbraw/zinc/30/18/39/568301839.db2.gz NTBZDCJPLBEGED-LJQANCHMSA-N 0 3 358.869 3.668 20 30 FHEDHN CCCN(Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604503381 568302172 /nfs/dbraw/zinc/30/21/72/568302172.db2.gz ISTUKNKIWHIJAK-HXUWFJFHSA-N 0 3 356.441 3.544 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000569516100 568404654 /nfs/dbraw/zinc/40/46/54/568404654.db2.gz BPVOLRFAIFGJPA-CZUORRHYSA-N 0 3 353.491 3.780 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000569516098 568404658 /nfs/dbraw/zinc/40/46/58/568404658.db2.gz BPVOLRFAIFGJPA-BBRMVZONSA-N 0 3 353.491 3.780 20 30 FHEDHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(C#N)ccn2)cc1 ZINC000570027529 568441934 /nfs/dbraw/zinc/44/19/34/568441934.db2.gz VACWEOJMMTZUSO-UHFFFAOYSA-N 0 3 370.456 3.612 20 30 FHEDHN N#Cc1ccc(F)c(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000277848753 571327728 /nfs/dbraw/zinc/32/77/28/571327728.db2.gz SPMXWMRYJMMOFK-GFCCVEGCSA-N 0 3 352.335 3.819 20 30 FHEDHN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507241583 945067870 /nfs/dbraw/zinc/06/78/70/945067870.db2.gz ALJZTBWSQFVKHC-NWDGAFQWSA-N 0 3 367.840 3.766 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000187145800 927976284 /nfs/dbraw/zinc/97/62/84/927976284.db2.gz MNGYVDRKAHQYDS-MRXNPFEDSA-N 0 3 354.498 3.716 20 30 FHEDHN C=C1CCN(CCCOc2cccc(I)c2)CC1 ZINC000520848986 928128034 /nfs/dbraw/zinc/12/80/34/928128034.db2.gz CNHWIYASDXAPDO-UHFFFAOYSA-N 0 3 357.235 3.712 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2cccc(F)c2o1 ZINC000610228772 928371345 /nfs/dbraw/zinc/37/13/45/928371345.db2.gz XOFGIYZFCIFFHC-UHFFFAOYSA-N 0 3 365.408 3.648 20 30 FHEDHN N#Cc1c(NC(=O)CCN2CC[C@H]2c2ccccc2)sc2c1CCC2 ZINC000471177858 928608574 /nfs/dbraw/zinc/60/85/74/928608574.db2.gz RYLGVMFWSGGHGG-KRWDZBQOSA-N 0 3 351.475 3.884 20 30 FHEDHN C=CCOc1cccc(CN2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000179748699 928959120 /nfs/dbraw/zinc/95/91/20/928959120.db2.gz NSGMSGQVMOVCCU-UHFFFAOYSA-N 0 3 364.489 3.780 20 30 FHEDHN C[C@@H]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](c2ccco2)C1 ZINC000610372176 930177308 /nfs/dbraw/zinc/17/73/08/930177308.db2.gz HLTQLNMXBXHYBV-POAQFYNOSA-N 0 3 354.450 3.559 20 30 FHEDHN C[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000610407155 930403758 /nfs/dbraw/zinc/40/37/58/930403758.db2.gz UYOIVYPLBKHZCN-QGZVFWFLSA-N 0 3 354.498 3.527 20 30 FHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000047827162 930517866 /nfs/dbraw/zinc/51/78/66/930517866.db2.gz WTAVTEZGHFXICU-HNNXBMFYSA-N 0 3 366.461 3.996 20 30 FHEDHN C[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000319781479 930858046 /nfs/dbraw/zinc/85/80/46/930858046.db2.gz GURXSWBLKZCSIL-LBPRGKRZSA-N 0 3 373.250 3.943 20 30 FHEDHN N#CCc1ccccc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000580625912 930939345 /nfs/dbraw/zinc/93/93/45/930939345.db2.gz ISTPLJCMFMOENN-SFHVURJKSA-N 0 3 369.415 3.849 20 30 FHEDHN Cc1csc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1C#N ZINC000579849043 931114593 /nfs/dbraw/zinc/11/45/93/931114593.db2.gz GZSCRBAFFBFJCJ-FUHWJXTLSA-N 0 3 366.490 3.666 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)c1ccsc1 ZINC000042346505 931535789 /nfs/dbraw/zinc/53/57/89/931535789.db2.gz UTVJDDDFKKWMQS-LJQANCHMSA-N 0 3 370.522 3.844 20 30 FHEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H](c2ccccc2)C2CCCC2)c1 ZINC000156902675 931688939 /nfs/dbraw/zinc/68/89/39/931688939.db2.gz JNZSFMSDWIPPCZ-OAQYLSRUSA-N 0 3 368.502 3.853 20 30 FHEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 ZINC000581290757 931794617 /nfs/dbraw/zinc/79/46/17/931794617.db2.gz RPILBEONHKRDEW-UHFFFAOYSA-N 0 3 371.868 3.908 20 30 FHEDHN N#Cc1ccc([C@H](N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C(N)=O)cc1 ZINC000581300578 931800979 /nfs/dbraw/zinc/80/09/79/931800979.db2.gz VPDBAZVVHDIBQH-UHOSZYNNSA-N 0 3 353.853 3.664 20 30 FHEDHN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000126416590 931812761 /nfs/dbraw/zinc/81/27/61/931812761.db2.gz NHSYYLKBICYNKL-DLBZAZTESA-N 0 3 362.477 3.836 20 30 FHEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000610503721 932007203 /nfs/dbraw/zinc/00/72/03/932007203.db2.gz SPVOYVXJFYYNFM-OAQYLSRUSA-N 0 3 362.477 3.536 20 30 FHEDHN CCN1CCN(c2ccc(NC(=O)Nc3cccc(C#N)c3)c(C)c2)CC1 ZINC000051157386 932481718 /nfs/dbraw/zinc/48/17/18/932481718.db2.gz QFQYIZFYHLHQCV-UHFFFAOYSA-N 0 3 363.465 3.653 20 30 FHEDHN Cn1c2ccc(C(=O)NC[C@H]3CCCCN3C3CC3)cc2nc1C(F)F ZINC000328840133 932871599 /nfs/dbraw/zinc/87/15/99/932871599.db2.gz UKNBZOWWWWZSQI-CQSZACIVSA-N 0 3 362.424 3.832 20 30 FHEDHN N#CCC1(CNCc2cc(Br)cc(Br)c2N)CC1 ZINC000430770381 933223958 /nfs/dbraw/zinc/22/39/58/933223958.db2.gz QFGLKONRFHDEST-UHFFFAOYSA-N 0 3 373.092 3.577 20 30 FHEDHN N#Cc1ccc([C@@H](NCC2(Cc3ccccc3)CCCCC2)C(N)=O)cc1 ZINC000471882679 933452452 /nfs/dbraw/zinc/45/24/52/933452452.db2.gz XCGMVVDLFLYDFK-OAQYLSRUSA-N 0 3 361.489 3.867 20 30 FHEDHN C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610707812 933862537 /nfs/dbraw/zinc/86/25/37/933862537.db2.gz XLNNOLNKTQEXOE-XGHQBKJUSA-N 0 3 362.477 3.581 20 30 FHEDHN C=CCc1cc(CN2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)cc(OC)c1O ZINC000092730707 934150617 /nfs/dbraw/zinc/15/06/17/934150617.db2.gz UVRINHYGTKSHCU-VQIMIIECSA-N 0 3 374.525 3.646 20 30 FHEDHN Cc1noc(C[C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2)n1 ZINC000277115979 934495060 /nfs/dbraw/zinc/49/50/60/934495060.db2.gz NDIQLJRQWWHWAN-FOIQADDNSA-N 0 3 362.433 3.915 20 30 FHEDHN CN(CCCc1cc(-c2ccc(F)cc2)no1)Cc1ccnc(C#N)c1 ZINC000610992260 934735119 /nfs/dbraw/zinc/73/51/19/934735119.db2.gz OSOBWVSJKVIKCF-UHFFFAOYSA-N 0 3 350.397 3.812 20 30 FHEDHN C#Cc1cccc(N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000728447940 934967912 /nfs/dbraw/zinc/96/79/12/934967912.db2.gz WGIHAPLOJYYOJJ-UHFFFAOYSA-N 0 3 363.530 3.643 20 30 FHEDHN C=CCCn1cc(CN[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nn1 ZINC000657299871 935019799 /nfs/dbraw/zinc/01/97/99/935019799.db2.gz ACOYQLVBPJAPFD-GDNZZTSVSA-N 0 3 370.341 3.853 20 30 FHEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)CN1Cc1ccccc1 ZINC000548639840 935097766 /nfs/dbraw/zinc/09/77/66/935097766.db2.gz UHUQQTVARHAMKC-KDOFPFPSSA-N 0 3 353.853 3.604 20 30 FHEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000119817594 935259844 /nfs/dbraw/zinc/25/98/44/935259844.db2.gz QMMKXRCJPSFHCB-INIZCTEOSA-N 0 3 358.442 3.717 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000255021247 935266476 /nfs/dbraw/zinc/26/64/76/935266476.db2.gz SREUGZYPJYNMSR-XQRVVYSFSA-N 0 3 365.452 3.691 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)CCC=C2 ZINC000551516460 935302100 /nfs/dbraw/zinc/30/21/00/935302100.db2.gz QZIOSOYNPRXWLS-UHFFFAOYSA-N 0 3 359.473 3.722 20 30 FHEDHN C[C@H]1SCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H]1C ZINC000118416916 935423841 /nfs/dbraw/zinc/42/38/41/935423841.db2.gz QFMQEECWXNPRPK-CHWSQXEVSA-N 0 3 363.552 3.653 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000178569919 935587305 /nfs/dbraw/zinc/58/73/05/935587305.db2.gz UFWTVVTZIQXTSJ-QGZVFWFLSA-N 0 3 354.479 3.887 20 30 FHEDHN C[C@H]1CN(CCCCNc2cccc(Br)c2C#N)C[C@H](C)O1 ZINC000439965809 945115934 /nfs/dbraw/zinc/11/59/34/945115934.db2.gz HKDZUCSRLFOQAY-KBPBESRZSA-N 0 3 366.303 3.622 20 30 FHEDHN CCOc1ccc(O)c(/C=N/C2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000158274758 935677400 /nfs/dbraw/zinc/67/74/00/935677400.db2.gz LIGJUSPNUBKSSK-LGVXEURYSA-N 0 3 353.466 3.830 20 30 FHEDHN Cc1csc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1Cl ZINC000478697490 935680375 /nfs/dbraw/zinc/68/03/75/935680375.db2.gz AGAADUVHWXTALT-UHFFFAOYSA-N 0 3 361.898 3.786 20 30 FHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000509579567 945133933 /nfs/dbraw/zinc/13/39/33/945133933.db2.gz VFRZTEAWNFKXNO-ZDUSSCGKSA-N 0 3 356.307 3.981 20 30 FHEDHN N#CCC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000438854215 945142247 /nfs/dbraw/zinc/14/22/47/945142247.db2.gz RDCWPLBBELDEJS-RTWAWAEBSA-N 0 3 362.477 3.605 20 30 FHEDHN COc1cccc([C@H](CNc2nc3cc(Cl)ccn3c2C#N)N(C)C)c1 ZINC000582802562 936144149 /nfs/dbraw/zinc/14/41/49/936144149.db2.gz GMIQTNMUJMOORY-KRWDZBQOSA-N 0 3 369.856 3.583 20 30 FHEDHN Cc1ccc(F)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000161829078 936309373 /nfs/dbraw/zinc/30/93/73/936309373.db2.gz FOEIVOZARQMZIU-UHFFFAOYSA-N 0 3 354.429 3.602 20 30 FHEDHN CN(C)CCN(C(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000458795232 938591404 /nfs/dbraw/zinc/59/14/04/938591404.db2.gz CDQBOIBQVNIWOP-FQEVSTJZSA-N 0 3 356.514 3.937 20 30 FHEDHN CCCNc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278656546 938625000 /nfs/dbraw/zinc/62/50/00/938625000.db2.gz MWPRPZXRPQSTKI-UHFFFAOYSA-N 0 3 374.492 3.970 20 30 FHEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1c(F)cccc1F ZINC000120833652 945210117 /nfs/dbraw/zinc/21/01/17/945210117.db2.gz LGQYIOCXFJTJJL-OAHLLOKOSA-N 0 3 371.431 3.530 20 30 FHEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2c(s1)CCC2 ZINC000507409908 945214501 /nfs/dbraw/zinc/21/45/01/945214501.db2.gz XOFABHDJNPYEKM-KBXCAEBGSA-N 0 3 365.502 3.955 20 30 FHEDHN COc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000140949032 938942635 /nfs/dbraw/zinc/94/26/35/938942635.db2.gz BQXGWJGALADYRC-KRWDZBQOSA-N 0 3 367.424 3.557 20 30 FHEDHN COC(=O)c1csc(-c2cccc(CNCc3cccc(C#N)c3)c2)n1 ZINC000480482248 938962617 /nfs/dbraw/zinc/96/26/17/938962617.db2.gz PPXQXADCYCOJTN-UHFFFAOYSA-N 0 3 363.442 3.758 20 30 FHEDHN C[C@H]1[C@H](Cc2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000472357584 939048033 /nfs/dbraw/zinc/04/80/33/939048033.db2.gz BOYIYUXMEHKDDM-FPOVZHCZSA-N 0 3 361.489 3.886 20 30 FHEDHN N#CC1(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CCCCC1 ZINC000511828138 945226114 /nfs/dbraw/zinc/22/61/14/945226114.db2.gz DBKYMWHLUJBPHF-VAMGGRTRSA-N 0 3 351.494 3.597 20 30 FHEDHN N#Cc1ccc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1 ZINC000364064365 939902681 /nfs/dbraw/zinc/90/26/81/939902681.db2.gz FIAXKTHWFKZNSH-UHFFFAOYSA-N 0 3 373.500 3.961 20 30 FHEDHN CN1c2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000179808918 939944750 /nfs/dbraw/zinc/94/47/50/939944750.db2.gz LDPAVSSWKCGPRL-UHFFFAOYSA-N 0 3 374.488 3.544 20 30 FHEDHN C[C@@H]1CO[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000892489111 940022582 /nfs/dbraw/zinc/02/25/82/940022582.db2.gz DTKOAFOMVHUKDX-GMBSWORKSA-N 0 3 364.401 3.551 20 30 FHEDHN COCCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000179882864 940064816 /nfs/dbraw/zinc/06/48/16/940064816.db2.gz PPNTULTVUWBRRY-UHFFFAOYSA-N 0 3 360.461 3.607 20 30 FHEDHN C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000065930244 940078907 /nfs/dbraw/zinc/07/89/07/940078907.db2.gz CRTGVQRXCNAJOR-KRWDZBQOSA-N 0 3 367.468 3.781 20 30 FHEDHN Cc1ccccc1CN1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000612580047 940160309 /nfs/dbraw/zinc/16/03/09/940160309.db2.gz CGZKUGNHSJOSAS-UHFFFAOYSA-N 0 3 367.880 3.868 20 30 FHEDHN CC[C@](C)(C#N)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000376074165 940273903 /nfs/dbraw/zinc/27/39/03/940273903.db2.gz LBSYFXGORJEUFO-GHTZIAJQSA-N 0 3 365.481 3.517 20 30 FHEDHN CC[C@@](C)(C#N)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000376074167 940273953 /nfs/dbraw/zinc/27/39/53/940273953.db2.gz LBSYFXGORJEUFO-RXVVDRJESA-N 0 3 365.481 3.517 20 30 FHEDHN C=CCOc1ccc(CN2CCCN(c3ccccc3)CC2)cc1OC ZINC000511486480 940620590 /nfs/dbraw/zinc/62/05/90/940620590.db2.gz FXUKQVWPEZUCDK-UHFFFAOYSA-N 0 3 352.478 3.972 20 30 FHEDHN C[C@H](NCc1ccc(Br)cc1C#N)[C@@H]1COc2ccccc21 ZINC000581842241 940626775 /nfs/dbraw/zinc/62/67/75/940626775.db2.gz ABCXYLOYPYBLMF-SJCJKPOMSA-N 0 3 357.251 3.975 20 30 FHEDHN CN1CC[C@@H](NCc2ccc(Br)cc2C#N)[C@@H]1c1ccccc1 ZINC000582575246 940727619 /nfs/dbraw/zinc/72/76/19/940727619.db2.gz QFVQAEHSKIVYLG-MOPGFXCFSA-N 0 3 370.294 3.856 20 30 FHEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)C1 ZINC000330089745 945351080 /nfs/dbraw/zinc/35/10/80/945351080.db2.gz OYDQUVDBJACFCP-QHAWAJNXSA-N 0 3 371.525 3.530 20 30 FHEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000170949107 940927834 /nfs/dbraw/zinc/92/78/34/940927834.db2.gz IQLYGDYJPOCIGP-HZPDHXFCSA-N 0 3 353.293 3.864 20 30 FHEDHN COc1ccccc1NC(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000189230664 941154939 /nfs/dbraw/zinc/15/49/39/941154939.db2.gz KNDKUTBPKUEVKS-INIZCTEOSA-N 0 3 363.461 3.979 20 30 FHEDHN C[C@@H]1COc2ccccc2CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000541085367 941289161 /nfs/dbraw/zinc/28/91/61/941289161.db2.gz PVZVYCXXWCIPGM-CQSZACIVSA-N 0 3 369.852 3.823 20 30 FHEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc(O)c1 ZINC000181498761 941363394 /nfs/dbraw/zinc/36/33/94/941363394.db2.gz FEMVAMPKJQIBJP-CYBMUJFWSA-N 0 3 369.490 3.884 20 30 FHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC(C)(C)CCC#N ZINC000377035803 941499598 /nfs/dbraw/zinc/49/95/98/941499598.db2.gz UPESNIBILQZUCG-GOSISDBHSA-N 0 3 356.514 3.622 20 30 FHEDHN CC[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000414903586 941505811 /nfs/dbraw/zinc/50/58/11/941505811.db2.gz KDONRHORRXMHQR-NRFANRHFSA-N 0 3 367.468 3.781 20 30 FHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415067545 941582763 /nfs/dbraw/zinc/58/27/63/941582763.db2.gz USUIDBQLCKFZDM-CVEARBPZSA-N 0 3 364.449 3.873 20 30 FHEDHN C=CCOc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000513226518 941797601 /nfs/dbraw/zinc/79/76/01/941797601.db2.gz JZZXKMSOBWEQNT-HXUWFJFHSA-N 0 3 350.462 3.646 20 30 FHEDHN N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1Cl ZINC000122589829 941817117 /nfs/dbraw/zinc/81/71/17/941817117.db2.gz PNEOTEDBTDYBPF-IBGZPJMESA-N 0 3 353.853 3.779 20 30 FHEDHN CC[C@H](C#N)Oc1cccc(CNCc2[nH]cc(C(=O)OC)c2C2CC2)c1 ZINC000892972760 941826981 /nfs/dbraw/zinc/82/69/81/941826981.db2.gz LHWYPSHTANPQQB-MRXNPFEDSA-N 0 3 367.449 3.649 20 30 FHEDHN N#Cc1ccc(CN2CCC(c3c[nH]c4ccc(C(N)=O)cc43)CC2)s1 ZINC000377626936 941851266 /nfs/dbraw/zinc/85/12/66/941851266.db2.gz LPDSTEUCINMESK-UHFFFAOYSA-N 0 3 364.474 3.580 20 30 FHEDHN COc1cc(CN(C)C[C@H](C)OC)ccc1OCc1cccc(C#N)c1 ZINC000513316313 941851429 /nfs/dbraw/zinc/85/14/29/941851429.db2.gz CTEQYXHGJKQXNV-INIZCTEOSA-N 0 3 354.450 3.613 20 30 FHEDHN CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(F)(C#N)CC2)N(C)C)cc1 ZINC000513390957 941887014 /nfs/dbraw/zinc/88/70/14/941887014.db2.gz UWUBBBXINBQXRK-LJQANCHMSA-N 0 3 374.504 3.525 20 30 FHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000728711708 941987081 /nfs/dbraw/zinc/98/70/81/941987081.db2.gz HGBGNJSYRFSYKS-QGZVFWFLSA-N 0 3 363.461 3.503 20 30 FHEDHN N#CC1(COC(=O)c2cnc3cc[nH]c3c2)CCN(Cc2ccccc2)CC1 ZINC000893116235 942066931 /nfs/dbraw/zinc/06/69/31/942066931.db2.gz YAEWNQDVSPSPAZ-UHFFFAOYSA-N 0 3 374.444 3.526 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COc2ccc(C)c(C)c2)cc1 ZINC000128382768 942178805 /nfs/dbraw/zinc/17/88/05/942178805.db2.gz VWVSDNXOVFGOED-IBGZPJMESA-N 0 3 350.418 3.592 20 30 FHEDHN N#CCCC[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000415973672 942210804 /nfs/dbraw/zinc/21/08/04/942210804.db2.gz NCVOSUQWYWYDRX-IBGZPJMESA-N 0 3 364.449 3.725 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)NCc1ccc(C#N)s1)c1ccsc1 ZINC000420812725 942219874 /nfs/dbraw/zinc/21/98/74/942219874.db2.gz XMEBQUNKRQWFHQ-MRXNPFEDSA-N 0 3 362.524 3.564 20 30 FHEDHN N#CCCn1cc(CN2CCC(c3ccncn3)CC2)c(-c2ccccc2)n1 ZINC000414475079 942225457 /nfs/dbraw/zinc/22/54/57/942225457.db2.gz ZFBOTPMNZJLLPF-UHFFFAOYSA-N 0 3 372.476 3.633 20 30 FHEDHN N#Cc1ccc(CN(Cc2ccc(CN3CCOCC3)cc2)C2CC2)cc1 ZINC000420906905 942248068 /nfs/dbraw/zinc/24/80/68/942248068.db2.gz UFJWLFLEVWFJBA-UHFFFAOYSA-N 0 3 361.489 3.555 20 30 FHEDHN COc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c(OC)c1 ZINC000502311724 942360587 /nfs/dbraw/zinc/36/05/87/942360587.db2.gz VTCDVNZBRCAHIB-UHFFFAOYSA-N 0 3 365.477 3.960 20 30 FHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)CCN1CCc2ccccc2C1 ZINC000416135655 942389512 /nfs/dbraw/zinc/38/95/12/942389512.db2.gz RLGCYTRLPTYRAC-UHFFFAOYSA-N 0 3 363.461 3.732 20 30 FHEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000501319451 942399603 /nfs/dbraw/zinc/39/96/03/942399603.db2.gz TWRLTHPIVUWVDF-IBGZPJMESA-N 0 3 360.461 3.890 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001125870464 942509660 /nfs/dbraw/zinc/50/96/60/942509660.db2.gz HQIDISURJKVTIQ-AERCQKQUSA-N 0 3 353.510 3.665 20 30 FHEDHN Cc1c2ccccc2oc1[C@@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000183583069 942636455 /nfs/dbraw/zinc/63/64/55/942636455.db2.gz QDVAHADJAOXNLM-NVXWUHKLSA-N 0 3 350.418 3.703 20 30 FHEDHN COc1cc(CN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)ccc1C#N ZINC000367037690 942735077 /nfs/dbraw/zinc/73/50/77/942735077.db2.gz UQWPOOXAXUQCJG-UHFFFAOYSA-N 0 3 364.371 3.688 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000502795478 942748313 /nfs/dbraw/zinc/74/83/13/942748313.db2.gz LGUKZMYQTBHDQZ-MRXNPFEDSA-N 0 3 368.308 3.930 20 30 FHEDHN C[C@@H](N[C@H](C)c1cccc(OCc2ccccc2)c1)C(=O)N(C)CCC#N ZINC000434634289 942810608 /nfs/dbraw/zinc/81/06/08/942810608.db2.gz RBXCTTIIBUBWDB-QZTJIDSGSA-N 0 3 365.477 3.677 20 30 FHEDHN C=CCOc1ccccc1CN[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000509980110 942890976 /nfs/dbraw/zinc/89/09/76/942890976.db2.gz XNCVPBATYFAMTK-IBGZPJMESA-N 0 3 351.450 3.647 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1ccccc1F ZINC000431883990 942910483 /nfs/dbraw/zinc/91/04/83/942910483.db2.gz SJDFVXUKRJLXPS-UHFFFAOYSA-N 0 3 374.529 3.966 20 30 FHEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000421982549 942917198 /nfs/dbraw/zinc/91/71/98/942917198.db2.gz HMHCCJIYGURCRM-NEWSRXKRSA-N 0 3 370.493 3.585 20 30 FHEDHN CC[C@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000505508899 942944916 /nfs/dbraw/zinc/94/49/16/942944916.db2.gz YHYZMZWGHBBSEP-PMACEKPBSA-N 0 3 356.514 3.600 20 30 FHEDHN CC[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000505508902 942945276 /nfs/dbraw/zinc/94/52/76/942945276.db2.gz YHYZMZWGHBBSEP-WOJBJXKFSA-N 0 3 356.514 3.600 20 30 FHEDHN COc1cc2c(cc1CNCCSCc1ccccc1C#N)O[C@@H](C)C2 ZINC000514517818 943077897 /nfs/dbraw/zinc/07/78/97/943077897.db2.gz ZXXMNWAGDFPEHH-HNNXBMFYSA-N 0 3 368.502 3.913 20 30 FHEDHN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](C)S1 ZINC000072771343 943088321 /nfs/dbraw/zinc/08/83/21/943088321.db2.gz DEGAIOOWIZHPRF-CHWSQXEVSA-N 0 3 363.552 3.653 20 30 FHEDHN C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000505596233 943133503 /nfs/dbraw/zinc/13/35/03/943133503.db2.gz KZUCBGMQDXTSET-MGPUTAFESA-N 0 3 367.468 3.783 20 30 FHEDHN C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H](c1ccccc1)N(C)C ZINC000505606193 943173853 /nfs/dbraw/zinc/17/38/53/943173853.db2.gz GQHUAWYWADEVMR-FOIQADDNSA-N 0 3 365.452 3.537 20 30 FHEDHN Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2C#N)N2CCCC2)cc1 ZINC000435164053 943224956 /nfs/dbraw/zinc/22/49/56/943224956.db2.gz GSEYLQDJFHLDAZ-HXUWFJFHSA-N 0 3 366.440 3.964 20 30 FHEDHN C[C@H](N[C@@H]1CCC[C@H]1OCc1ccccc1)C(=O)Nc1ccccc1C#N ZINC000503514658 943228581 /nfs/dbraw/zinc/22/85/81/943228581.db2.gz AELJBZCHONVSEX-ZLGUVYLKSA-N 0 3 363.461 3.613 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2Oc2cccc(C)c2)CC1 ZINC000435184437 943235324 /nfs/dbraw/zinc/23/53/24/943235324.db2.gz SECOUDYIULFAIG-NHCUHLMSSA-N 0 3 371.525 3.635 20 30 FHEDHN C=CCC[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000435274066 943294834 /nfs/dbraw/zinc/29/48/34/943294834.db2.gz FWYCPXSMYKJLLM-FQEVSTJZSA-N 0 3 356.510 3.845 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000431924708 943382538 /nfs/dbraw/zinc/38/25/38/943382538.db2.gz KRPIKBVWWQLPLW-FQEVSTJZSA-N 0 3 354.498 3.761 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CC[C@@](C)(CCc3ccccc3)C2)CC1 ZINC000435415616 943389017 /nfs/dbraw/zinc/38/90/17/943389017.db2.gz CIVFWRSFDJEUGG-JOCHJYFZSA-N 0 3 355.526 3.691 20 30 FHEDHN C=CC[C@H](C)C(=O)N1CCC2(CCCN(Cc3scnc3C)C2)CC1 ZINC001269960093 943421719 /nfs/dbraw/zinc/42/17/19/943421719.db2.gz LYEHJFBPQLVSLD-INIZCTEOSA-N 0 3 361.555 3.868 20 30 FHEDHN Cc1ccc(Cc2cnc(NC(=O)[C@H](N)CCCC#N)s2)cc1Cl ZINC000424069695 943707812 /nfs/dbraw/zinc/70/78/12/943707812.db2.gz QJCMGVAHNHONNB-OAHLLOKOSA-N 0 3 362.886 3.655 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000424105224 943720282 /nfs/dbraw/zinc/72/02/82/943720282.db2.gz VDEAZLWXCNSFQE-OALUTQOASA-N 0 3 355.869 3.761 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000424109507 943734939 /nfs/dbraw/zinc/73/49/39/943734939.db2.gz BDDUDYVTODTIBJ-RTBURBONSA-N 0 3 355.869 3.761 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000424113932 943738335 /nfs/dbraw/zinc/73/83/35/943738335.db2.gz PDJFLTIXOBBMDC-CVEARBPZSA-N 0 3 353.388 3.780 20 30 FHEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000424114419 943738588 /nfs/dbraw/zinc/73/85/88/943738588.db2.gz RCICTPRGRNOWHP-FOIQADDNSA-N 0 3 369.440 3.603 20 30 FHEDHN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424117538 943740368 /nfs/dbraw/zinc/74/03/68/943740368.db2.gz CKYQCLFVXBWCPS-JXFKEZNVSA-N 0 3 365.477 3.903 20 30 FHEDHN CC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424116648 943740458 /nfs/dbraw/zinc/74/04/58/943740458.db2.gz XRUQETVZHMCIBV-GJZGRUSLSA-N 0 3 355.404 3.930 20 30 FHEDHN Cc1sc(NC(=O)[C@@H](N)CCCC#N)nc1-c1ccc2c(c1)CCC2 ZINC000424117828 943740933 /nfs/dbraw/zinc/74/09/33/943740933.db2.gz ZDJCIAYDEUTUID-INIZCTEOSA-N 0 3 354.479 3.567 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000424120890 943742168 /nfs/dbraw/zinc/74/21/68/943742168.db2.gz HVYPWDANIYAMKO-GOSISDBHSA-N 0 3 359.832 3.783 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000424122085 943742894 /nfs/dbraw/zinc/74/28/94/943742894.db2.gz IWYXYODZSKIMPI-LBPRGKRZSA-N 0 3 368.384 3.789 20 30 FHEDHN C=CCn1cc(CN[C@H](CC)CCc2ccc(Br)cc2)nn1 ZINC000424292037 943822137 /nfs/dbraw/zinc/82/21/37/943822137.db2.gz FXRHCVREFNBTGL-MRXNPFEDSA-N 0 3 363.303 3.728 20 30 FHEDHN C=CCCO[C@@H](C)C(=O)N(CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000505001259 943954381 /nfs/dbraw/zinc/95/43/81/943954381.db2.gz QQEBLKLEGZVGRV-PZJWPPBQSA-N 0 3 358.526 3.871 20 30 FHEDHN COc1cccc(C2(F)CCN(CCOc3cccc(C#N)c3)CC2)c1 ZINC000500134469 944152568 /nfs/dbraw/zinc/15/25/68/944152568.db2.gz AMJXBABLVHONDT-UHFFFAOYSA-N 0 3 354.425 3.906 20 30 FHEDHN C[C@H]1CN(c2ccccc2CN[C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000418139091 944198714 /nfs/dbraw/zinc/19/87/14/944198714.db2.gz DIZWTENHFGQXSI-JTSKRJEESA-N 0 3 361.489 3.951 20 30 FHEDHN Cc1nn(-c2ccccn2)c(C)c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418152186 944205870 /nfs/dbraw/zinc/20/58/70/944205870.db2.gz YEYCUBFQMZUIIU-OAQYLSRUSA-N 0 3 357.461 3.923 20 30 FHEDHN Cc1cccc(N2CCN(CCCCNc3nc(C)ccc3C#N)CC2)c1 ZINC000500263432 944371032 /nfs/dbraw/zinc/37/10/32/944371032.db2.gz SWROLVGQACIOMU-UHFFFAOYSA-N 0 3 363.509 3.584 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2csc(-c3ccc(F)cc3)n2)CC1 ZINC000518496886 944443537 /nfs/dbraw/zinc/44/35/37/944443537.db2.gz LUIQHGVNANFNIL-UHFFFAOYSA-N 0 3 359.470 3.720 20 30 FHEDHN COc1ccc(C#N)cc1CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000438327147 944512670 /nfs/dbraw/zinc/51/26/70/944512670.db2.gz XAEFBIMCWBUQRO-OAQYLSRUSA-N 0 3 350.462 3.829 20 30 FHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)n1C(C)C ZINC000047010634 944518538 /nfs/dbraw/zinc/51/85/38/944518538.db2.gz WPSJFUSLWXSTRV-UHFFFAOYSA-N 0 3 366.509 3.762 20 30 FHEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)n1 ZINC000112222382 944550522 /nfs/dbraw/zinc/55/05/22/944550522.db2.gz ZZODJXOMTSCBAT-AWEZNQCLSA-N 0 3 354.410 3.883 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000429801372 944729909 /nfs/dbraw/zinc/72/99/09/944729909.db2.gz LXWVJYQWZNFZMD-ZIAGYGMSSA-N 0 3 355.507 3.932 20 30 FHEDHN C=C(C)Cn1c(CC)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000518852234 944865162 /nfs/dbraw/zinc/86/51/62/944865162.db2.gz GPCGSPFWWPQTAB-ZWKOTPCHSA-N 0 3 353.514 3.516 20 30 FHEDHN CC[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000506654902 944898135 /nfs/dbraw/zinc/89/81/35/944898135.db2.gz QSHABPAHODIRMW-RDTXWAMCSA-N 0 3 367.449 3.643 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(C1CCC1)C1CCC1 ZINC000516506737 944942212 /nfs/dbraw/zinc/94/22/12/944942212.db2.gz KTTCEQYTXYYFBC-UHFFFAOYSA-N 0 3 353.510 3.665 20 30 FHEDHN N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000518032381 944952501 /nfs/dbraw/zinc/95/25/01/944952501.db2.gz XOSDVQYPJNWDOC-UHFFFAOYSA-N 0 3 367.424 3.705 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)ccc2OC(F)F)CC1 ZINC000425694124 944953840 /nfs/dbraw/zinc/95/38/40/944953840.db2.gz VXNHVRIEGCDLPW-UHFFFAOYSA-N 0 3 359.804 3.713 20 30 FHEDHN Cc1ccc([C@@H](CNC(=S)Nc2ccccc2C#N)N2CCCC2)cc1 ZINC000140443713 944965499 /nfs/dbraw/zinc/96/54/99/944965499.db2.gz KKXACZPXGXSKQV-HXUWFJFHSA-N 0 3 364.518 3.990 20 30 FHEDHN CCCCCCCCC(=O)N1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001270163251 944967705 /nfs/dbraw/zinc/96/77/05/944967705.db2.gz AGMPZOCPFHPPAO-NRFANRHFSA-N 0 3 360.546 3.975 20 30 FHEDHN C[C@@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000330140343 945374511 /nfs/dbraw/zinc/37/45/11/945374511.db2.gz WWVZWAFCKJEIRD-RDTXWAMCSA-N 0 3 352.862 3.588 20 30 FHEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000330162620 945382176 /nfs/dbraw/zinc/38/21/76/945382176.db2.gz SJGJUZWSKWEZRX-WMZOPIPTSA-N 0 3 362.470 3.619 20 30 FHEDHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330205618 945401777 /nfs/dbraw/zinc/40/17/77/945401777.db2.gz CPWGNRHWEWUQML-OXJNMPFZSA-N 0 3 372.465 3.863 20 30 FHEDHN Cc1cc(O[C@H](C)C(=O)C(C#N)c2nnc3n2CCCCC3)ccc1Cl ZINC000125006087 945460693 /nfs/dbraw/zinc/46/06/93/945460693.db2.gz RUVVJEJATXSLKH-UKRRQHHQSA-N 0 3 372.856 3.610 20 30 FHEDHN CC(C)CN(Cc1cnc(N2CCOCC2)s1)Cc1ccc(C#N)cc1 ZINC000507719399 945473849 /nfs/dbraw/zinc/47/38/49/945473849.db2.gz SEMVCQUDISIPNS-UHFFFAOYSA-N 0 3 370.522 3.510 20 30 FHEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000330309824 945510529 /nfs/dbraw/zinc/51/05/29/945510529.db2.gz MZGRADCMHFTVPF-BXKDBHETSA-N 0 3 350.875 3.579 20 30 FHEDHN N#CC(C(=O)CCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccn1 ZINC000125208378 945669700 /nfs/dbraw/zinc/66/97/00/945669700.db2.gz WIYNFSCSHQOPPA-ZDUSSCGKSA-N 0 3 362.216 3.669 20 30 FHEDHN C=CCN(CC=C)C(=O)CN1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000519713524 945690298 /nfs/dbraw/zinc/69/02/98/945690298.db2.gz WSRGKHUMNUNLBM-UHFFFAOYSA-N 0 3 355.457 3.687 20 30 FHEDHN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(C#N)c(OC)c3)ccc2NC1=O ZINC000281575736 945774401 /nfs/dbraw/zinc/77/44/01/945774401.db2.gz CVPTZLJMSWZCQS-ACJLOTCBSA-N 0 3 365.433 3.527 20 30 FHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC1CCC(C#N)CC1 ZINC000441020890 946122597 /nfs/dbraw/zinc/12/25/97/946122597.db2.gz JOXZENRSVRHGDR-GZNCHQMQSA-N 0 3 370.541 3.772 20 30 FHEDHN C=CCCCN(C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000522945145 946142372 /nfs/dbraw/zinc/14/23/72/946142372.db2.gz PPOYCEFNRNUWFL-SFHVURJKSA-N 0 3 354.416 3.866 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCCC[C@H](SC)C1 ZINC000441112633 946221530 /nfs/dbraw/zinc/22/15/30/946221530.db2.gz LMNDJFZKVFCJGJ-HOTGVXAUSA-N 0 3 352.569 3.869 20 30 FHEDHN CN(CC#Cc1ccccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000441265490 946371794 /nfs/dbraw/zinc/37/17/94/946371794.db2.gz SYAUWKZXGUSVFG-UHFFFAOYSA-N 0 3 366.892 3.928 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-c3ccccn3)cc2)CC1 ZINC000520294739 946374045 /nfs/dbraw/zinc/37/40/45/946374045.db2.gz PAOYOTOTAFPPSU-UHFFFAOYSA-N 0 3 350.466 3.911 20 30 FHEDHN N#Cc1cnc2ccccc2c1N1CCN(c2ccnc3ccccc32)CC1 ZINC000520319929 946415971 /nfs/dbraw/zinc/41/59/71/946415971.db2.gz CSDYVSAIAPSNNE-UHFFFAOYSA-N 0 3 365.440 3.981 20 30 FHEDHN Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000441332192 946464254 /nfs/dbraw/zinc/46/42/54/946464254.db2.gz QLKFLQAJHGNLSG-FGZHOGPDSA-N 0 3 361.489 3.751 20 30 FHEDHN Cn1cc(CNCc2ccc(OCC#N)cc2)c(-c2ccccc2Cl)n1 ZINC000066906029 946503585 /nfs/dbraw/zinc/50/35/85/946503585.db2.gz XJCLLBFAGQFBEG-UHFFFAOYSA-N 0 3 366.852 3.933 20 30 FHEDHN Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000441371805 946521695 /nfs/dbraw/zinc/52/16/95/946521695.db2.gz ALDUTUBMPSCPJL-FGZHOGPDSA-N 0 3 361.489 3.751 20 30 FHEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000441371806 946521875 /nfs/dbraw/zinc/52/18/75/946521875.db2.gz ALDUTUBMPSCPJL-VXKWHMMOSA-N 0 3 361.489 3.751 20 30 FHEDHN N#CC1CCC(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000441375614 946528291 /nfs/dbraw/zinc/52/82/91/946528291.db2.gz YXGBPDIKPMJGTC-UHFFFAOYSA-N 0 3 364.280 3.994 20 30 FHEDHN COCC(C)(C)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055422 946541923 /nfs/dbraw/zinc/54/19/23/946541923.db2.gz OSLZGMVMUSMNLQ-DTORHVGOSA-N 0 3 369.296 3.762 20 30 FHEDHN N#CCOc1ccc(Br)cc1N(C(=N)N)c1ccc(F)cc1 ZINC001167992163 946708394 /nfs/dbraw/zinc/70/83/94/946708394.db2.gz MLKPTKHVMRQYIU-UHFFFAOYSA-N 0 3 363.190 3.522 20 30 FHEDHN CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)c12 ZINC000328652423 946966357 /nfs/dbraw/zinc/96/63/57/946966357.db2.gz KLRKNSJXXQSYBF-TZMCWYRMSA-N 0 3 356.470 3.668 20 30 FHEDHN C[C@]1(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CCC(=O)NC1 ZINC000328686985 946987956 /nfs/dbraw/zinc/98/79/56/946987956.db2.gz YSBDSSFLSOETKL-FQEVSTJZSA-N 0 3 372.469 3.778 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)CC1 ZINC000066921469 947002220 /nfs/dbraw/zinc/00/22/20/947002220.db2.gz FTOIBCXSQHRJGW-UHFFFAOYSA-N 0 3 364.445 3.771 20 30 FHEDHN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328816594 947034639 /nfs/dbraw/zinc/03/46/39/947034639.db2.gz NXBAXFGRXHABBC-OBUJGBQQSA-N 0 3 368.477 3.678 20 30 FHEDHN O=C(CN1CCCCCCC1=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000328861346 947069863 /nfs/dbraw/zinc/06/98/63/947069863.db2.gz ARNVKJIBVUDFOL-LJQANCHMSA-N 0 3 357.498 3.573 20 30 FHEDHN N#Cc1ccc(N2CCC[C@H](NC/C=C\c3ccc(F)c(F)c3)C2=O)cc1 ZINC000511955574 947139828 /nfs/dbraw/zinc/13/98/28/947139828.db2.gz PGAABJSMRHTLBA-WWNMRYTNSA-N 0 3 367.399 3.635 20 30 FHEDHN N#Cc1ccc(N2CCC[C@H](NC/C=C/c3ccc(F)c(F)c3)C2=O)cc1 ZINC000511955570 947139909 /nfs/dbraw/zinc/13/99/09/947139909.db2.gz PGAABJSMRHTLBA-OIBGTREISA-N 0 3 367.399 3.635 20 30 FHEDHN CCCCCCCC[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825271484 947140869 /nfs/dbraw/zinc/14/08/69/947140869.db2.gz KGYAOZKQBBPHMQ-UHFFFAOYSA-N 0 3 370.545 3.781 20 30 FHEDHN CC1CCN(CCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CC1 ZINC000330513062 947187610 /nfs/dbraw/zinc/18/76/10/947187610.db2.gz CRIUGYPKDLYLFM-UHFFFAOYSA-N 0 3 360.424 3.693 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000662087499 947229103 /nfs/dbraw/zinc/22/91/03/947229103.db2.gz AJILLCKHZVEARG-BETUJISGSA-N 0 3 364.371 3.703 20 30 FHEDHN CCN1CCCC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330685885 947233774 /nfs/dbraw/zinc/23/37/74/947233774.db2.gz AGPBYWMRUPSUAK-GFCCVEGCSA-N 0 3 360.424 3.836 20 30 FHEDHN CCN1CCC[C@H]1CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC ZINC000330978570 947326059 /nfs/dbraw/zinc/32/60/59/947326059.db2.gz IRGSKIMMATUVLG-ZDUSSCGKSA-N 0 3 350.532 3.593 20 30 FHEDHN C=CC[N@@H+](CCCOc1ccccc1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573341033 947523240 /nfs/dbraw/zinc/52/32/40/947523240.db2.gz FWQFHQRJWGBMGN-UHFFFAOYSA-N 0 3 363.465 3.632 20 30 FHEDHN C=CC[N@H+](CCCOc1ccccc1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573341033 947523249 /nfs/dbraw/zinc/52/32/49/947523249.db2.gz FWQFHQRJWGBMGN-UHFFFAOYSA-N 0 3 363.465 3.632 20 30 FHEDHN CC(C)[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CCN1C ZINC000440664188 947562292 /nfs/dbraw/zinc/56/22/92/947562292.db2.gz XJZJYOVRSRGWRM-MRXNPFEDSA-N 0 3 373.298 3.645 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662312669 947738918 /nfs/dbraw/zinc/73/89/18/947738918.db2.gz YPCOHKDHEZOUGH-DZFGPLHGSA-N 0 3 374.550 3.544 20 30 FHEDHN CN(C)Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1 ZINC000441532126 948228430 /nfs/dbraw/zinc/22/84/30/948228430.db2.gz JYLZARJOELEKHJ-UHFFFAOYSA-N 0 3 363.339 3.771 20 30 FHEDHN N#CC(C(=O)C=Cc1cncc(F)c1)c1nc2ccccc2n1C(F)F ZINC000178988133 948436106 /nfs/dbraw/zinc/43/61/06/948436106.db2.gz SYIPCQACFTUPFV-GFUIURDCSA-N 0 3 356.307 3.855 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000429806448 948710613 /nfs/dbraw/zinc/71/06/13/948710613.db2.gz LUDOKMQVYJZNFC-CQSZACIVSA-N 0 3 355.507 3.932 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2ccc(SCc3cccnc3)cc2)CC1 ZINC000050026531 210061727 /nfs/dbraw/zinc/06/17/27/210061727.db2.gz VRLNTNVWFQVBOF-UHFFFAOYSA-N 0 3 365.502 3.658 20 30 FHEDHN C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000601733992 567820932 /nfs/dbraw/zinc/82/09/32/567820932.db2.gz ATIPROYBZNVJIO-OAQYLSRUSA-N 0 3 355.526 3.889 20 30 FHEDHN C[C@@H](NC1CCN(CCc2ccncc2)CC1)c1ccc(C#N)cc1Cl ZINC000366010957 567931362 /nfs/dbraw/zinc/93/13/62/567931362.db2.gz PDYRHENJWGCBAV-MRXNPFEDSA-N 0 3 368.912 3.964 20 30 FHEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(c2ccc(F)cn2)CC1 ZINC000602186629 567948205 /nfs/dbraw/zinc/94/82/05/567948205.db2.gz BWVNYKFWOQTNBW-GOSISDBHSA-N 0 3 351.425 3.699 20 30 FHEDHN C[C@@H](CCC#N)C[N@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000602455680 567982194 /nfs/dbraw/zinc/98/21/94/567982194.db2.gz XOCJVYKHQWOJOD-KRWDZBQOSA-N 0 3 371.506 3.859 20 30 FHEDHN C[C@@H](CCC#N)C[N@@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000602455680 567982195 /nfs/dbraw/zinc/98/21/95/567982195.db2.gz XOCJVYKHQWOJOD-KRWDZBQOSA-N 0 3 371.506 3.859 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1ccc(C(F)(F)F)cc1 ZINC000602520001 567987114 /nfs/dbraw/zinc/98/71/14/567987114.db2.gz FJGQABOURVWKOG-CQSZACIVSA-N 0 3 356.388 3.773 20 30 FHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000602525041 567987628 /nfs/dbraw/zinc/98/76/28/567987628.db2.gz QBGUFQMXCULXJH-KRWDZBQOSA-N 0 3 351.853 3.629 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(OC2CCCCC2)nc1 ZINC000602528645 567988079 /nfs/dbraw/zinc/98/80/79/567988079.db2.gz OQTSEOGKGVBWCY-KRWDZBQOSA-N 0 3 357.498 3.982 20 30 FHEDHN COc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(C(F)(F)F)c1 ZINC000602530592 567988326 /nfs/dbraw/zinc/98/83/26/567988326.db2.gz RZZDPSWVMHGXEG-ZDUSSCGKSA-N 0 3 356.388 3.903 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(COCC(F)(F)F)c1 ZINC000602580400 567993608 /nfs/dbraw/zinc/99/36/08/567993608.db2.gz GMLLZRKGZRPURK-OAHLLOKOSA-N 0 3 370.415 3.954 20 30 FHEDHN C[C@H](CCC#N)CN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000602591285 567994969 /nfs/dbraw/zinc/99/49/69/567994969.db2.gz YKQCOLPCQNUOKR-FOIQADDNSA-N 0 3 374.481 3.848 20 30 FHEDHN Cc1cc(C)n(-c2ccccc2CN[C@@H](C)CC2(C#N)CCOCC2)n1 ZINC000602571504 567996183 /nfs/dbraw/zinc/99/61/83/567996183.db2.gz XFUYWFNJCFEHDZ-KRWDZBQOSA-N 0 3 352.482 3.678 20 30 FHEDHN COc1cc(Br)ccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602620939 567998573 /nfs/dbraw/zinc/99/85/73/567998573.db2.gz AWGRLFYQSUBXAS-ZDUSSCGKSA-N 0 3 367.287 3.646 20 30 FHEDHN C[C@H](CCC#N)CN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000602661560 568012529 /nfs/dbraw/zinc/01/25/29/568012529.db2.gz FHAVMPJGRKYUET-CQSZACIVSA-N 0 3 365.275 3.681 20 30 FHEDHN CS(=O)(=O)Cc1cccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481928396 568189458 /nfs/dbraw/zinc/18/94/58/568189458.db2.gz RPVXNWKRVWAZLB-NRFANRHFSA-N 0 3 368.502 3.660 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000303294141 568265089 /nfs/dbraw/zinc/26/50/89/568265089.db2.gz HMPWJFUDHATMEL-UHFFFAOYSA-N 0 3 370.324 3.876 20 30 FHEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000569000699 568266110 /nfs/dbraw/zinc/26/61/10/568266110.db2.gz MZLQGOUWMJYURA-ABAIWWIYSA-N 0 3 352.251 3.523 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(C(C)(C)C)cc2)CC1 ZINC000303372179 568269188 /nfs/dbraw/zinc/26/91/88/568269188.db2.gz VOXZNYMWQGUIDO-UHFFFAOYSA-N 0 3 357.542 3.866 20 30 FHEDHN CCO[C@H]1C[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C1(CC)CC ZINC000482145117 568285127 /nfs/dbraw/zinc/28/51/27/568285127.db2.gz CPOLVUDXJOPECU-IRXDYDNUSA-N 0 3 363.889 3.724 20 30 FHEDHN N#Cc1ccc(OC2CCN(CCCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000482141167 568288210 /nfs/dbraw/zinc/28/82/10/568288210.db2.gz JNTKIBPXCXXFEE-UHFFFAOYSA-N 0 3 362.473 3.969 20 30 FHEDHN COc1cc(C#N)ccc1CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569173768 568299520 /nfs/dbraw/zinc/29/95/20/568299520.db2.gz DIFJUDWHBBTOJN-ICSRJNTNSA-N 0 3 373.859 3.894 20 30 FHEDHN COc1ccc2c(c1)C[C@H](C)N(CCC(=O)Nc1ccccc1C#N)[C@@H]2C ZINC000541990075 568313448 /nfs/dbraw/zinc/31/34/48/568313448.db2.gz MIOSHFZTGXUESL-JKSUJKDBSA-N 0 3 363.461 3.903 20 30 FHEDHN C=CCOc1c(Br)cc(CN[C@@H](C)C(C)(C)O)cc1OCC ZINC000604765547 568361838 /nfs/dbraw/zinc/36/18/38/568361838.db2.gz SXZPJDUULZFFFG-LBPRGKRZSA-N 0 3 372.303 3.662 20 30 FHEDHN COC[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000569527989 568405497 /nfs/dbraw/zinc/40/54/97/568405497.db2.gz FOUYMNSJJGNTBR-SFHVURJKSA-N 0 3 357.841 3.518 20 30 FHEDHN N#Cc1ccc(CN2CCC(NCc3ccn(C4CCCC4)n3)CC2)cc1 ZINC000182040420 568578800 /nfs/dbraw/zinc/57/88/00/568578800.db2.gz BFEVCUCRPJKYMC-UHFFFAOYSA-N 0 3 363.509 3.624 20 30 FHEDHN COc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000050108093 568726979 /nfs/dbraw/zinc/72/69/79/568726979.db2.gz IETPPUZACILTEV-LJQANCHMSA-N 0 3 364.449 3.525 20 30 FHEDHN N#Cc1ccc(F)c(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000277848760 571327716 /nfs/dbraw/zinc/32/77/16/571327716.db2.gz SPMXWMRYJMMOFK-LBPRGKRZSA-N 0 3 352.335 3.819 20 30 FHEDHN CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824152325 608309855 /nfs/dbraw/zinc/30/98/55/608309855.db2.gz AFWUWITYZQFCIF-UHFFFAOYSA-N 0 3 360.465 3.953 20 30 FHEDHN CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824152325 608309857 /nfs/dbraw/zinc/30/98/57/608309857.db2.gz AFWUWITYZQFCIF-UHFFFAOYSA-N 0 3 360.465 3.953 20 30 FHEDHN COC[C@H]1CCCCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000467119854 936324864 /nfs/dbraw/zinc/32/48/64/936324864.db2.gz SXIDSFHUZYDQLV-UXHICEINSA-N 0 3 371.525 3.687 20 30 FHEDHN C#Cc1cccc(N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000728536762 936369538 /nfs/dbraw/zinc/36/95/38/936369538.db2.gz AZJNYODLYRUIEE-IBGZPJMESA-N 0 3 350.437 3.682 20 30 FHEDHN C=CCN1CCC(NC(=O)c2ccc(Br)cc2SC)CC1 ZINC000654747287 927258628 /nfs/dbraw/zinc/25/86/28/927258628.db2.gz BZFFIMOQEWTSTA-UHFFFAOYSA-N 0 3 369.328 3.551 20 30 FHEDHN C[C@H](C(=O)N1CCC(CCC#N)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000579837215 928344906 /nfs/dbraw/zinc/34/49/06/928344906.db2.gz WDJFVHHNLSFXPS-LJQANCHMSA-N 0 3 367.537 3.872 20 30 FHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179503232 928782542 /nfs/dbraw/zinc/78/25/42/928782542.db2.gz AZQILUJCBTYYMH-MRXNPFEDSA-N 0 3 374.410 3.932 20 30 FHEDHN C=CCN(CCC(=O)Nc1sccc1C#N)Cc1cccc(C#N)c1 ZINC000063300810 928947918 /nfs/dbraw/zinc/94/79/18/928947918.db2.gz OETVIIJNNHMRBJ-UHFFFAOYSA-N 0 3 350.447 3.508 20 30 FHEDHN C[C@H](Oc1ccc2ccccc2c1)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000796647813 929855893 /nfs/dbraw/zinc/85/58/93/929855893.db2.gz RNZJJVCVBJTMKY-KXBFYZLASA-N 0 3 374.444 3.801 20 30 FHEDHN N#CC(C(=O)c1ccnc2ccncc21)c1nc2ccccc2n1C(F)F ZINC000580264084 930416802 /nfs/dbraw/zinc/41/68/02/930416802.db2.gz NUYYQCONUFLHKF-GFCCVEGCSA-N 0 3 363.327 3.865 20 30 FHEDHN N#Cc1ccc(OCCCN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000728290271 930517713 /nfs/dbraw/zinc/51/77/13/930517713.db2.gz FIOPEKYTMWMTDK-IBGZPJMESA-N 0 3 350.418 3.893 20 30 FHEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000580548854 930839183 /nfs/dbraw/zinc/83/91/83/930839183.db2.gz OHUQVIQNBRESNH-WBVHZDCISA-N 0 3 370.522 3.968 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)c1ccsc1 ZINC000042346503 931535595 /nfs/dbraw/zinc/53/55/95/931535595.db2.gz UTVJDDDFKKWMQS-IBGZPJMESA-N 0 3 370.522 3.844 20 30 FHEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](Cc2nc(C)cs2)C1)c1ccccc1 ZINC000933125305 931755867 /nfs/dbraw/zinc/75/58/67/931755867.db2.gz KIOYDEKZWJVNIJ-WIYYLYMNSA-N 0 3 367.518 3.757 20 30 FHEDHN N#Cc1ccc([C@H](N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C(N)=O)cc1 ZINC000581300576 931801006 /nfs/dbraw/zinc/80/10/06/931801006.db2.gz VPDBAZVVHDIBQH-NEWSRXKRSA-N 0 3 353.853 3.664 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)NC(=O)CS3)s1 ZINC000430599022 932035779 /nfs/dbraw/zinc/03/57/79/932035779.db2.gz PJDLHHJENDYBQY-NSHDSACASA-N 0 3 371.487 3.975 20 30 FHEDHN C[C@H]1CCN(Cc2cccn2Cc2ccccc2C#N)C[C@@H]1n1ccnc1 ZINC000187462423 932885602 /nfs/dbraw/zinc/88/56/02/932885602.db2.gz GIEKXYYKSRJCEE-AVRDEDQJSA-N 0 3 359.477 3.688 20 30 FHEDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000085586494 933062229 /nfs/dbraw/zinc/06/22/29/933062229.db2.gz LCZIHUAREPISDW-INIZCTEOSA-N 0 3 362.543 3.990 20 30 FHEDHN N#Cc1ccc(N2CCC[C@@H](NCCSCc3ccccc3)C2=O)cc1 ZINC000430759319 933213459 /nfs/dbraw/zinc/21/34/59/933213459.db2.gz XRVCSOYVYFVHFZ-HXUWFJFHSA-N 0 3 365.502 3.577 20 30 FHEDHN N#Cc1ccccc1OCCN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430927525 933414874 /nfs/dbraw/zinc/41/48/74/933414874.db2.gz REUZCWMCIAAMDL-OAQYLSRUSA-N 0 3 350.462 3.661 20 30 FHEDHN COc1cccc(OC)c1OCCCCN(C)Cc1cc(C#N)cs1 ZINC000933772860 933500708 /nfs/dbraw/zinc/50/07/08/933500708.db2.gz XAJMAPZNYDXPQM-UHFFFAOYSA-N 0 3 360.479 3.928 20 30 FHEDHN COc1ccc(C(=O)CCC(=O)C(C#N)c2nc3ccccc3o2)cc1F ZINC000176101468 933550104 /nfs/dbraw/zinc/55/01/04/933550104.db2.gz CJCNVTYUNRWSPJ-CYBMUJFWSA-N 0 3 366.348 3.815 20 30 FHEDHN C=CCc1cc(CN2CCC[C@@H](C(=O)N[C@@H](C)CCC)C2)cc(OC)c1O ZINC000092730712 934150950 /nfs/dbraw/zinc/15/09/50/934150950.db2.gz UVRINHYGTKSHCU-QFBILLFUSA-N 0 3 374.525 3.646 20 30 FHEDHN CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000610830434 934502977 /nfs/dbraw/zinc/50/29/77/934502977.db2.gz STWMUEQTQRCBCG-HUUCEWRRSA-N 0 3 357.479 3.732 20 30 FHEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000065167046 934550718 /nfs/dbraw/zinc/55/07/18/934550718.db2.gz PKKBULGBRCJXMS-ZDUSSCGKSA-N 0 3 360.679 3.516 20 30 FHEDHN C[C@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000610986428 934689404 /nfs/dbraw/zinc/68/94/04/934689404.db2.gz PRYNRMAGYUCYJY-UWJYYQICSA-N 0 3 374.488 3.510 20 30 FHEDHN CC(C)(C)c1ccc(C(C)(C)CN[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000535894211 934723817 /nfs/dbraw/zinc/72/38/17/934723817.db2.gz GCEQJPJUTPMNDY-FQEVSTJZSA-N 0 3 363.505 3.950 20 30 FHEDHN CC(C)C[C@@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001167548569 935279475 /nfs/dbraw/zinc/27/94/75/935279475.db2.gz BMYDXAJRIFEQSO-KRWDZBQOSA-N 0 3 366.427 3.541 20 30 FHEDHN CC(C)Oc1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2)N(C)C)cc1 ZINC000562023669 935358589 /nfs/dbraw/zinc/35/85/89/935358589.db2.gz PNRKCZHRTQRREB-FQEVSTJZSA-N 0 3 366.465 3.770 20 30 FHEDHN CCc1ccc([C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000478427993 935631931 /nfs/dbraw/zinc/63/19/31/935631931.db2.gz NJSDRXAVIMKEQC-NRFANRHFSA-N 0 3 370.518 3.881 20 30 FHEDHN N#CC(C(=O)CC(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1 ZINC000051651031 935643040 /nfs/dbraw/zinc/64/30/40/935643040.db2.gz BGWLHUHFGHNWOG-NRFANRHFSA-N 0 3 360.457 3.976 20 30 FHEDHN CCCCc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051654667 935651048 /nfs/dbraw/zinc/65/10/48/935651048.db2.gz CUFGAWVIHUNVEL-LJQANCHMSA-N 0 3 368.477 3.760 20 30 FHEDHN Cc1cc(Cl)ccc1O[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000127886251 935834333 /nfs/dbraw/zinc/83/43/33/935834333.db2.gz DYUZKPURNJWQAJ-CZUORRHYSA-N 0 3 356.809 3.763 20 30 FHEDHN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000127886463 935834448 /nfs/dbraw/zinc/83/44/48/935834448.db2.gz DYUZKPURNJWQAJ-BBRMVZONSA-N 0 3 356.809 3.763 20 30 FHEDHN CSc1ccc(O[C@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000158713618 935930676 /nfs/dbraw/zinc/93/06/76/935930676.db2.gz LRIZXCJWWYKHHY-CXAGYDPISA-N 0 3 354.431 3.523 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\Sc1ccccc1 ZINC000255520102 935940413 /nfs/dbraw/zinc/94/04/13/935940413.db2.gz SQAQHXKRPIIIPA-QINSGFPZSA-N 0 3 365.502 3.754 20 30 FHEDHN Cc1ccoc1C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126600850 945145412 /nfs/dbraw/zinc/14/54/12/945145412.db2.gz BHIKVMOTAIAJBI-GFCCVEGCSA-N 0 3 350.346 3.864 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000468333610 938302483 /nfs/dbraw/zinc/30/24/83/938302483.db2.gz HTWZRWPNKJBGGB-HXUWFJFHSA-N 0 3 357.542 3.841 20 30 FHEDHN C=CCCn1cc(CN[C@H](CC)Cc2ccc(Br)cc2)nn1 ZINC000657783931 938364842 /nfs/dbraw/zinc/36/48/42/938364842.db2.gz YLRPQEKBWLPOMD-MRXNPFEDSA-N 0 3 363.303 3.728 20 30 FHEDHN C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536193463 938546646 /nfs/dbraw/zinc/54/66/46/938546646.db2.gz VGCXEJZRHSXPTQ-YADHBBJMSA-N 0 3 363.505 3.872 20 30 FHEDHN CC(C)N1CCN(c2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c2)CC1 ZINC000584094224 938595400 /nfs/dbraw/zinc/59/54/00/938595400.db2.gz HUIWWIUGJJGFEI-QFIPXVFZSA-N 0 3 366.509 3.630 20 30 FHEDHN C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807504 938614825 /nfs/dbraw/zinc/61/48/25/938614825.db2.gz VQQZMZIZZJLIBT-IIBYNOLFSA-N 0 3 362.477 3.680 20 30 FHEDHN CCOc1cccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278731327 938697400 /nfs/dbraw/zinc/69/74/00/938697400.db2.gz UKNIMKCATYEDJI-UHFFFAOYSA-N 0 3 361.449 3.547 20 30 FHEDHN CC[C@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000278755862 938806872 /nfs/dbraw/zinc/80/68/72/938806872.db2.gz OGPGTHZXFYNWPD-FQEVSTJZSA-N 0 3 351.450 3.752 20 30 FHEDHN CCCc1c(NC(=O)[C@H](CC)N(CC)CC)cnn1-c1cccc(C#N)c1 ZINC000440074485 945206927 /nfs/dbraw/zinc/20/69/27/945206927.db2.gz RPUQVZYPCNATCH-IBGZPJMESA-N 0 3 367.497 3.755 20 30 FHEDHN N#Cc1ccc(CCNc2nc(N3CCOCC3)cc3ccccc32)cc1 ZINC001167678260 938995589 /nfs/dbraw/zinc/99/55/89/938995589.db2.gz CDUOTXFVVVKKEA-UHFFFAOYSA-N 0 3 358.445 3.598 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cnc(C(F)(F)F)cc2C)CC1 ZINC000685673276 939012407 /nfs/dbraw/zinc/01/24/07/939012407.db2.gz NFKHQSZDUZWWFE-UHFFFAOYSA-N 0 3 356.392 3.571 20 30 FHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472355637 939020058 /nfs/dbraw/zinc/02/00/58/939020058.db2.gz YIZNSMYMRBNWQX-NSHGMRRFSA-N 0 3 353.510 3.671 20 30 FHEDHN CN(Cc1cccc(OCCCC#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000179471963 939167452 /nfs/dbraw/zinc/16/74/52/939167452.db2.gz GFJCSRZWWOOPCX-GOSISDBHSA-N 0 3 373.497 3.810 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000425784244 945240298 /nfs/dbraw/zinc/24/02/98/945240298.db2.gz JTAABRMFHWWOHZ-CSODHUTKSA-N 0 3 364.493 3.952 20 30 FHEDHN CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000179738206 939928468 /nfs/dbraw/zinc/92/84/68/939928468.db2.gz ZMWKCBDVFUUATA-SFHVURJKSA-N 0 3 373.497 3.716 20 30 FHEDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000413649002 939973994 /nfs/dbraw/zinc/97/39/94/939973994.db2.gz PFFGHKWBKZEXSE-OAQYLSRUSA-N 0 3 364.493 3.783 20 30 FHEDHN Cc1nc(C(C)C)ncc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000892493181 940044842 /nfs/dbraw/zinc/04/48/42/940044842.db2.gz CQFSFRVOGDVKGO-AWEZNQCLSA-N 0 3 356.813 3.523 20 30 FHEDHN Cc1nc(C(C)C)ncc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000892493181 940044844 /nfs/dbraw/zinc/04/48/44/940044844.db2.gz CQFSFRVOGDVKGO-AWEZNQCLSA-N 0 3 356.813 3.523 20 30 FHEDHN N#Cc1ccc(CN2CCC(N[C@@H]3COc4cc(F)cc(F)c43)CC2)cc1 ZINC000612403955 940049321 /nfs/dbraw/zinc/04/93/21/940049321.db2.gz DSQFYPGRNDMVDM-LJQANCHMSA-N 0 3 369.415 3.524 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC000892496459 940063482 /nfs/dbraw/zinc/06/34/82/940063482.db2.gz YSUUFMQLDLJGCF-IAGOWNOFSA-N 0 3 356.466 3.664 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000892497473 940069195 /nfs/dbraw/zinc/06/91/95/940069195.db2.gz RHOSXMDUGCPUGX-PNLZDCPESA-N 0 3 362.429 3.710 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCSc1ccccc1 ZINC000065931342 940079824 /nfs/dbraw/zinc/07/98/24/940079824.db2.gz WPNXTWBNPLZKEZ-UHFFFAOYSA-N 0 3 367.518 3.631 20 30 FHEDHN N#CC(C(=O)C[C@@H]1CCC2(CCC2)O1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892498489 940088034 /nfs/dbraw/zinc/08/80/34/940088034.db2.gz JWVLIYLBLYPMDV-QWHCGFSZSA-N 0 3 364.804 3.618 20 30 FHEDHN CC[C@@](C)(C#N)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000376074166 940273837 /nfs/dbraw/zinc/27/38/37/940273837.db2.gz LBSYFXGORJEUFO-NQIIRXRSSA-N 0 3 365.481 3.517 20 30 FHEDHN COC(=O)[C@H](C)Oc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180030904 940275391 /nfs/dbraw/zinc/27/53/91/940275391.db2.gz IPLHMNNMPHUZMA-INIZCTEOSA-N 0 3 364.445 3.663 20 30 FHEDHN COc1csc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000177601480 940309787 /nfs/dbraw/zinc/30/97/87/940309787.db2.gz UYIIIZBWSQQBIM-SNVBAGLBSA-N 0 3 352.774 3.510 20 30 FHEDHN CCOCc1ccccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180043977 940319634 /nfs/dbraw/zinc/31/96/34/940319634.db2.gz PASDCNMXOQJTCN-UHFFFAOYSA-N 0 3 360.461 3.785 20 30 FHEDHN CCN1CCCC[C@H]1C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000124714995 945315062 /nfs/dbraw/zinc/31/50/62/945315062.db2.gz MSFVLNXBWMXAPI-AEFFLSMTSA-N 0 3 369.490 3.869 20 30 FHEDHN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000519610129 945317453 /nfs/dbraw/zinc/31/74/53/945317453.db2.gz SHOMNZHWQMQLNM-UHOFOFEASA-N 0 3 353.388 3.636 20 30 FHEDHN N#Cc1ccc([C@H](N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)C(N)=O)cc1 ZINC000581874554 940628782 /nfs/dbraw/zinc/62/87/82/940628782.db2.gz HVWCIDHLRQCGOF-WDSOQIARSA-N 0 3 353.853 3.664 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000376397777 940911764 /nfs/dbraw/zinc/91/17/64/940911764.db2.gz KKHHPHPGELGXHM-INIZCTEOSA-N 0 3 373.463 3.791 20 30 FHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C(C)C)C(C)C)c1C#N ZINC000180447891 941020948 /nfs/dbraw/zinc/02/09/48/941020948.db2.gz MZXKROMPJQNPKH-UHFFFAOYSA-N 0 3 356.470 3.675 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2c[nH]c3ccccc23)CC1 ZINC000188000822 941241730 /nfs/dbraw/zinc/24/17/30/941241730.db2.gz LICAURKXGNBLEY-UHFFFAOYSA-N 0 3 354.498 3.740 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000178560799 941276803 /nfs/dbraw/zinc/27/68/03/941276803.db2.gz DQXOAHAATOZKEH-UHFFFAOYSA-N 0 3 364.493 3.895 20 30 FHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000181526251 941431319 /nfs/dbraw/zinc/43/13/19/941431319.db2.gz UQZBTWCOAKVRBL-HOTGVXAUSA-N 0 3 363.461 3.627 20 30 FHEDHN CCN(C(=O)NCC(C)(C)CCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000376996238 941486319 /nfs/dbraw/zinc/48/63/19/941486319.db2.gz VKPWNZKBKKIVQL-IBGZPJMESA-N 0 3 356.514 3.622 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3cccc(C)c3)c2C(C)C)CC1 ZINC000377051681 941503803 /nfs/dbraw/zinc/50/38/03/941503803.db2.gz KRBYOQHVEVFTNW-UHFFFAOYSA-N 0 3 364.493 3.588 20 30 FHEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415154526 941636482 /nfs/dbraw/zinc/63/64/82/941636482.db2.gz YBIWQVLXAZVKLS-LSDHHAIUSA-N 0 3 350.422 3.565 20 30 FHEDHN CS[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000415173587 941649527 /nfs/dbraw/zinc/64/95/27/941649527.db2.gz RRSSMQFMLKXEQA-HXUWFJFHSA-N 0 3 367.518 3.553 20 30 FHEDHN CN(C)C[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000549217570 941660627 /nfs/dbraw/zinc/66/06/27/941660627.db2.gz MBAPQYPPEIRGGF-KRWDZBQOSA-N 0 3 360.820 3.775 20 30 FHEDHN N#Cc1ccc(NC(=O)NC[C@@H]2NCCc3ccccc32)cc1C(F)(F)F ZINC000415210338 941678466 /nfs/dbraw/zinc/67/84/66/941678466.db2.gz JQFFKDOOZQVFMH-KRWDZBQOSA-N 0 3 374.366 3.586 20 30 FHEDHN CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(F)(C#N)CC2)N(C)C)cc1 ZINC000513390956 941886884 /nfs/dbraw/zinc/88/68/84/941886884.db2.gz UWUBBBXINBQXRK-IBGZPJMESA-N 0 3 374.504 3.525 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000433819272 941917511 /nfs/dbraw/zinc/91/75/11/941917511.db2.gz IWRISVGIAFATER-FQEVSTJZSA-N 0 3 355.526 3.862 20 30 FHEDHN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC000128391673 942213456 /nfs/dbraw/zinc/21/34/56/942213456.db2.gz JMGYRTVXOCCDBY-MRXNPFEDSA-N 0 3 364.470 3.836 20 30 FHEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)CC2CCCCC2)cc1OC ZINC000501239959 942356462 /nfs/dbraw/zinc/35/64/62/942356462.db2.gz MIMDBSXOZDTOOF-UHFFFAOYSA-N 0 3 374.525 3.844 20 30 FHEDHN COc1cc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc(OC)c1 ZINC000419843714 942418559 /nfs/dbraw/zinc/41/85/59/942418559.db2.gz YBFWIBDJAJTCIB-AWEZNQCLSA-N 0 3 359.451 3.704 20 30 FHEDHN N#Cc1cc([N+](=O)[O-])ccc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000366537774 942541559 /nfs/dbraw/zinc/54/15/59/942541559.db2.gz MNNVVXHZXDZRDB-UHFFFAOYSA-N 0 3 368.359 3.684 20 30 FHEDHN C[C@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccc(OCC#N)cc1 ZINC000181557232 942568624 /nfs/dbraw/zinc/56/86/24/942568624.db2.gz VJEKRSKMZOPUPP-KRWDZBQOSA-N 0 3 363.461 3.957 20 30 FHEDHN CC(C)(C)OC(=O)NCCc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000312210796 942914296 /nfs/dbraw/zinc/91/42/96/942914296.db2.gz VGVHQXHVAGQFHL-UHFFFAOYSA-N 0 3 365.477 3.915 20 30 FHEDHN Cc1ccnc(C2CCN(Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000363876443 942919339 /nfs/dbraw/zinc/91/93/39/942919339.db2.gz QIRWBBYZTBXNPH-UHFFFAOYSA-N 0 3 350.466 3.847 20 30 FHEDHN C=CCOc1ccccc1CN[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000509961948 942920446 /nfs/dbraw/zinc/92/04/46/942920446.db2.gz ARYZRJUXVPVZAB-NRFANRHFSA-N 0 3 364.489 3.575 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000473002673 942970344 /nfs/dbraw/zinc/97/03/44/942970344.db2.gz QSBOZEWROCQSLC-ICSRJNTNSA-N 0 3 355.526 3.690 20 30 FHEDHN C[C@H]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CCN1Cc1ccccc1 ZINC000434848284 943004299 /nfs/dbraw/zinc/00/42/99/943004299.db2.gz JDQPXRQQNWMQAI-IBGZPJMESA-N 0 3 373.500 3.713 20 30 FHEDHN C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](c1ccccc1)N(C)C ZINC000505591073 943106072 /nfs/dbraw/zinc/10/60/72/943106072.db2.gz LBRCGTLXTQEZEN-BTYIYWSLSA-N 0 3 374.444 3.634 20 30 FHEDHN C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CCN(C2CC2)C1 ZINC000458846621 943221936 /nfs/dbraw/zinc/22/19/36/943221936.db2.gz RCJUGQXTBOARAB-FXAWDEMLSA-N 0 3 354.498 3.547 20 30 FHEDHN C[C@@H]1CCCC[C@H]1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001167740385 943261985 /nfs/dbraw/zinc/26/19/85/943261985.db2.gz KZEYZPUFUSLSKS-CVEARBPZSA-N 0 3 354.454 3.755 20 30 FHEDHN CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000503765061 943362825 /nfs/dbraw/zinc/36/28/25/943362825.db2.gz MIOVRJUNJYGIJF-LEWJYISDSA-N 0 3 370.541 3.846 20 30 FHEDHN COC(=O)[C@@H](C)Oc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425366051 943376284 /nfs/dbraw/zinc/37/62/84/943376284.db2.gz OHHFDLNGKZAGCA-HZPDHXFCSA-N 0 3 352.434 3.692 20 30 FHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613733008 943412851 /nfs/dbraw/zinc/41/28/51/943412851.db2.gz JQDMQYXEQXNYJR-PKOBYXMFSA-N 0 3 351.494 3.936 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCOC1CCCC1 ZINC000431933105 943471024 /nfs/dbraw/zinc/47/10/24/943471024.db2.gz BZYKKQNBSRIREN-UHFFFAOYSA-N 0 3 364.559 3.544 20 30 FHEDHN CCCOc1ccc(-c2csc(NC(=O)[C@H](N)CCCC#N)n2)cc1 ZINC000424073415 943709128 /nfs/dbraw/zinc/70/91/28/943709128.db2.gz FNEADQNULIREHE-OAHLLOKOSA-N 0 3 358.467 3.559 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000424080669 943714155 /nfs/dbraw/zinc/71/41/55/943714155.db2.gz TUMKVQAGKNFAKO-INIZCTEOSA-N 0 3 354.479 3.649 20 30 FHEDHN C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424087261 943723000 /nfs/dbraw/zinc/72/30/00/943723000.db2.gz DIOUMXNFYYQHRN-LRDDRELGSA-N 0 3 353.388 3.779 20 30 FHEDHN C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424087257 943723100 /nfs/dbraw/zinc/72/31/00/943723100.db2.gz DIOUMXNFYYQHRN-BLLLJJGKSA-N 0 3 353.388 3.779 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000424087721 943724712 /nfs/dbraw/zinc/72/47/12/943724712.db2.gz FKJLRGFMRPRXMV-QZTJIDSGSA-N 0 3 359.832 3.706 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000424113223 943737676 /nfs/dbraw/zinc/73/76/76/943737676.db2.gz MNJPUPHLXSBBSN-MOPGFXCFSA-N 0 3 361.917 3.969 20 30 FHEDHN COCCc1ccc(Oc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)cc1 ZINC000424140323 943748859 /nfs/dbraw/zinc/74/88/59/943748859.db2.gz OAVUCGZPXBWDGT-FQEVSTJZSA-N 0 3 367.449 3.627 20 30 FHEDHN COc1ccc2c(c1)CN(C(=O)[C@H](N)CCCC#N)[C@@H](C1CCCCC1)C2 ZINC000424134475 943759564 /nfs/dbraw/zinc/75/95/64/943759564.db2.gz KOISNXAFNCPDQS-NHCUHLMSSA-N 0 3 369.509 3.550 20 30 FHEDHN COc1ccc2c(c1)CN(C(=O)[C@@H](N)CCCC#N)[C@@H](C1CCCCC1)C2 ZINC000424134187 943760384 /nfs/dbraw/zinc/76/03/84/943760384.db2.gz KOISNXAFNCPDQS-LEWJYISDSA-N 0 3 369.509 3.550 20 30 FHEDHN N#CCCC[C@H](N)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000424183897 943764891 /nfs/dbraw/zinc/76/48/91/943764891.db2.gz CVKPDUBLEIVITC-AWEZNQCLSA-N 0 3 373.806 3.528 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1NCc1ccc(Cl)cc1 ZINC000424169118 943772743 /nfs/dbraw/zinc/77/27/43/943772743.db2.gz JFHPLGIVFDATMR-MRXNPFEDSA-N 0 3 356.857 3.912 20 30 FHEDHN CCOc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(Br)c1OC ZINC000424207828 943789709 /nfs/dbraw/zinc/78/97/09/943789709.db2.gz XQSBPNZXUHEMNY-WCQYABFASA-N 0 3 353.260 3.638 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000435883588 943816492 /nfs/dbraw/zinc/81/64/92/943816492.db2.gz ZXSTWAWOTUNAHI-KBPBESRZSA-N 0 3 353.304 3.913 20 30 FHEDHN C=CCn1cc(CN[C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000424289877 943821364 /nfs/dbraw/zinc/82/13/64/943821364.db2.gz AMSUIVPCBDMREV-GDBMZVCRSA-N 0 3 350.388 3.909 20 30 FHEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000424295885 943825114 /nfs/dbraw/zinc/82/51/14/943825114.db2.gz NRDINLTUQPLGME-DLBZAZTESA-N 0 3 350.388 3.909 20 30 FHEDHN C=CCC1(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)CCOCC1 ZINC000424571223 943988813 /nfs/dbraw/zinc/98/88/13/943988813.db2.gz WTRVPLHXQHURIU-FQEVSTJZSA-N 0 3 374.525 3.567 20 30 FHEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000436119719 944034601 /nfs/dbraw/zinc/03/46/01/944034601.db2.gz DSQIZTVAAOXMLS-HXUWFJFHSA-N 0 3 351.450 3.663 20 30 FHEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000436145826 944055534 /nfs/dbraw/zinc/05/55/34/944055534.db2.gz JQVIMALWRPXTFH-FGTMMUONSA-N 0 3 369.509 3.701 20 30 FHEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(F)cc2I)C1 ZINC000418076444 944125408 /nfs/dbraw/zinc/12/54/08/944125408.db2.gz JFSQWQNCVYNFGW-GWCFXTLKSA-N 0 3 358.198 3.602 20 30 FHEDHN Cc1nc(COc2ccc(CN[C@H]3CCCc4cc(C#N)ccc43)cc2)no1 ZINC000418136219 944190335 /nfs/dbraw/zinc/19/03/35/944190335.db2.gz AHUPIMJWMJZPCU-NRFANRHFSA-N 0 3 374.444 3.996 20 30 FHEDHN COc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cc2c1OCCO2 ZINC000418148854 944211241 /nfs/dbraw/zinc/21/12/41/944211241.db2.gz UEYWRTZPCHBONH-SFHVURJKSA-N 0 3 350.418 3.505 20 30 FHEDHN Cc1ccc(C[C@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000500254643 944337327 /nfs/dbraw/zinc/33/73/27/944337327.db2.gz RTUDZYCTCRZETJ-HXUWFJFHSA-N 0 3 353.510 3.687 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(Cl)s1 ZINC000047011699 944518268 /nfs/dbraw/zinc/51/82/68/944518268.db2.gz FZMYUTBFLPOMSU-CSKARUKUSA-N 0 3 373.909 3.877 20 30 FHEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@H]3CCc4cc(Cl)ccc43)C2=O)cc1 ZINC000506217571 944552459 /nfs/dbraw/zinc/55/24/59/944552459.db2.gz JKVYSMBURWXTGC-WOJBJXKFSA-N 0 3 365.864 3.984 20 30 FHEDHN C=CC[C@H](CC)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467405930 944657126 /nfs/dbraw/zinc/65/71/26/944657126.db2.gz ODVHNCFJETYCFE-GXTWGEPZSA-N 0 3 358.301 3.612 20 30 FHEDHN N#Cc1ccc(NCCCCN2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000506878121 944696863 /nfs/dbraw/zinc/69/68/63/944696863.db2.gz YAWMJXDWXGNUHQ-UHFFFAOYSA-N 0 3 366.484 3.707 20 30 FHEDHN COc1ccccc1/C=C/CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506259959 944710396 /nfs/dbraw/zinc/71/03/96/944710396.db2.gz SGIGCOHKQDTCMO-QPJJXVBHSA-N 0 3 361.489 3.788 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000425653530 944829418 /nfs/dbraw/zinc/82/94/18/944829418.db2.gz ZYCLQNLZAKXFGB-UTKZUKDTSA-N 0 3 362.477 3.535 20 30 FHEDHN C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000505917550 944888348 /nfs/dbraw/zinc/88/83/48/944888348.db2.gz RPVCFXUEHDUEMC-CJNGLKHVSA-N 0 3 353.388 3.651 20 30 FHEDHN CC1CCC(N2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000426125773 944958752 /nfs/dbraw/zinc/95/87/52/944958752.db2.gz FQCXJFGFCWYZDE-UHFFFAOYSA-N 0 3 360.889 3.940 20 30 FHEDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426134137 944982107 /nfs/dbraw/zinc/98/21/07/944982107.db2.gz RKRMCUVRJZNJAR-UHFFFAOYSA-N 0 3 356.857 3.807 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000516582090 945035410 /nfs/dbraw/zinc/03/54/10/945035410.db2.gz QXHJDBWYVXMOAC-LAUBAEHRSA-N 0 3 362.477 3.535 20 30 FHEDHN C[C@H](C[C@@H]1CCCO1)[NH+]=C([O-])N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000330253786 945426629 /nfs/dbraw/zinc/42/66/29/945426629.db2.gz JBKJDHSIOFMVJP-MCYKXBRJSA-N 0 3 368.481 3.573 20 30 FHEDHN N#CC(C(=O)CSc1ccc2ccccc2c1)C(=O)Nc1ccccn1 ZINC000125175979 945667344 /nfs/dbraw/zinc/66/73/44/945667344.db2.gz HSSMYFTZGJDYCO-QGZVFWFLSA-N 0 3 361.426 3.674 20 30 FHEDHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000125211526 945671361 /nfs/dbraw/zinc/67/13/61/945671361.db2.gz GKLMRSPEULDCLW-DOTOQJQBSA-N 0 3 365.433 3.628 20 30 FHEDHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000125212043 945671509 /nfs/dbraw/zinc/67/15/09/945671509.db2.gz GKLMRSPEULDCLW-RDJZCZTQSA-N 0 3 365.433 3.628 20 30 FHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCCC[C@H]2C(C)C)cc1 ZINC000522711599 945703455 /nfs/dbraw/zinc/70/34/55/945703455.db2.gz GXGAXWAFCRNDMS-FQEVSTJZSA-N 0 3 357.498 3.842 20 30 FHEDHN C=CCN1CCC(Nc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440641533 945754906 /nfs/dbraw/zinc/75/49/06/945754906.db2.gz OGMHIRGSCZCCKX-UHFFFAOYSA-N 0 3 371.282 3.931 20 30 FHEDHN COc1cc(CNCc2ccc(COCC(F)(F)F)cc2)ccc1C#N ZINC000281663140 945803008 /nfs/dbraw/zinc/80/30/08/945803008.db2.gz KYQFRQNQKRXILI-UHFFFAOYSA-N 0 3 364.367 3.936 20 30 FHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1OCCCO ZINC000550105931 945873077 /nfs/dbraw/zinc/87/30/77/945873077.db2.gz YBXGLNXNMHRLBS-YDHLFZDLSA-N 0 3 367.287 3.553 20 30 FHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(CCc1ccccc1F)C1CCCC1 ZINC000519904472 945888689 /nfs/dbraw/zinc/88/86/89/945888689.db2.gz MDVQHWIMDSNECX-OAQYLSRUSA-N 0 3 359.489 3.667 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)COc2ccc(C(C)C)cc2)c1 ZINC000127074805 945947701 /nfs/dbraw/zinc/94/77/01/945947701.db2.gz XXMCIPLACUYRRC-LJQANCHMSA-N 0 3 366.417 3.545 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)NCC1CCC(C#N)CC1)c1ccsc1 ZINC000441012850 946115027 /nfs/dbraw/zinc/11/50/27/946115027.db2.gz SNAPBEXMTZYKGQ-LEOMRAHMSA-N 0 3 362.543 3.760 20 30 FHEDHN CCCSCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000125488140 946274832 /nfs/dbraw/zinc/27/48/32/946274832.db2.gz ORYNXUPFLIIHQE-LBPRGKRZSA-N 0 3 358.435 3.792 20 30 FHEDHN CCCc1c(NC(=O)[C@@H](CC)N(CC)CC)cnn1-c1cccc(C#N)c1 ZINC000440074486 946282801 /nfs/dbraw/zinc/28/28/01/946282801.db2.gz RPUQVZYPCNATCH-LJQANCHMSA-N 0 3 367.497 3.755 20 30 FHEDHN Cc1onc(-c2ccccc2)c1CN1CCCN(c2ccc(C#N)cn2)CC1 ZINC001141988530 946444306 /nfs/dbraw/zinc/44/43/06/946444306.db2.gz YVTBRTHHPXMQHO-UHFFFAOYSA-N 0 3 373.460 3.629 20 30 FHEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000441332190 946463309 /nfs/dbraw/zinc/46/33/09/946463309.db2.gz QLKFLQAJHGNLSG-FCHUYYIVSA-N 0 3 361.489 3.751 20 30 FHEDHN N#Cc1ccccc1COc1cccc(CNCc2ccccc2CO)c1 ZINC000066905436 946505005 /nfs/dbraw/zinc/50/50/05/946505005.db2.gz JQBUBPGILPVCNM-UHFFFAOYSA-N 0 3 358.441 3.919 20 30 FHEDHN C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc(C#N)cc1 ZINC000481253263 946520095 /nfs/dbraw/zinc/52/00/95/946520095.db2.gz HQGYXBPJWJCKNI-FIKGOQFSSA-N 0 3 362.477 3.581 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCOc2cccc(F)c2)cc1 ZINC000125539909 946539925 /nfs/dbraw/zinc/53/99/25/946539925.db2.gz IJOUQMZHFVSUIE-LJQANCHMSA-N 0 3 368.408 3.895 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCOc2ccccc2F)cc1 ZINC000125541003 946542544 /nfs/dbraw/zinc/54/25/44/946542544.db2.gz WNSXJUMONGCSSH-KRWDZBQOSA-N 0 3 368.408 3.895 20 30 FHEDHN CSC1(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000897056853 946543295 /nfs/dbraw/zinc/54/32/95/946543295.db2.gz YMKOMMMRTZBQMK-HTQZYQBOSA-N 0 3 369.321 3.985 20 30 FHEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccncc1 ZINC000136654660 946702286 /nfs/dbraw/zinc/70/22/86/946702286.db2.gz NZWLDPRQFZQXNL-BXUZGUMPSA-N 0 3 359.788 3.715 20 30 FHEDHN COc1cccc(NC2CCN(CCOc3ccccc3C#N)CC2)c1 ZINC000110036855 946876497 /nfs/dbraw/zinc/87/64/97/946876497.db2.gz XKQDPUXRGLZUAY-UHFFFAOYSA-N 0 3 351.450 3.522 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)c1cccc(F)c1C#N)c1cccc(OC)c1 ZINC000186325245 946913583 /nfs/dbraw/zinc/91/35/83/946913583.db2.gz ZNUJYUGGDYZQRZ-FQEVSTJZSA-N 0 3 369.440 3.519 20 30 FHEDHN C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000125608139 946953108 /nfs/dbraw/zinc/95/31/08/946953108.db2.gz LDCRIOQJYQDPSB-WWMYMODYSA-N 0 3 362.477 3.581 20 30 FHEDHN Cc1nc2c(cccc2C(=O)NCC2(N3CCSCC3)CCCC2)[nH]1 ZINC000328734489 947027598 /nfs/dbraw/zinc/02/75/98/947027598.db2.gz IKVMKDTVPDOYGC-UHFFFAOYSA-N 0 3 358.511 3.538 20 30 FHEDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@H]1CCCC12CCOCC2 ZINC000328815546 947034409 /nfs/dbraw/zinc/03/44/09/947034409.db2.gz NQNXHRWZBGHFQI-UXHICEINSA-N 0 3 371.525 3.676 20 30 FHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](C2CCOCC2)C1 ZINC000328819416 947036880 /nfs/dbraw/zinc/03/68/80/947036880.db2.gz HIASXSLUKTYBHK-CJNGLKHVSA-N 0 3 361.873 3.937 20 30 FHEDHN COc1ccccc1-c1noc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000328853118 947065584 /nfs/dbraw/zinc/06/55/84/947065584.db2.gz SLXNJUNXQODFCX-GDBMZVCRSA-N 0 3 352.438 3.617 20 30 FHEDHN CC(C)N1CCN(c2cccc(NC(=O)c3ncoc3C3CC3)c2)CC1 ZINC000328916035 947107633 /nfs/dbraw/zinc/10/76/33/947107633.db2.gz AEKHSISZQVTAFV-UHFFFAOYSA-N 0 3 354.454 3.719 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cscc1C(F)F ZINC000888954132 947109162 /nfs/dbraw/zinc/10/91/62/947109162.db2.gz GVYSVFGLACAACR-UHFFFAOYSA-N 0 3 363.433 3.761 20 30 FHEDHN N#Cc1ccc(N2CCC[C@@H](NC/C=C/c3ccc(F)c(F)c3)C2=O)cc1 ZINC000511955568 947140271 /nfs/dbraw/zinc/14/02/71/947140271.db2.gz PGAABJSMRHTLBA-JHLGBQPCSA-N 0 3 367.399 3.635 20 30 FHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000444745892 947182241 /nfs/dbraw/zinc/18/22/41/947182241.db2.gz UAXMZZNRLXTJNF-DCGLDWPTSA-N 0 3 366.303 3.543 20 30 FHEDHN CCCO[C@@H]1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000247206836 947263979 /nfs/dbraw/zinc/26/39/79/947263979.db2.gz RJGQMPPHUFRRLW-XTBIFASLSA-N 0 3 363.546 3.587 20 30 FHEDHN CCN1CCCC[C@@H]1CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC ZINC000330963066 947318675 /nfs/dbraw/zinc/31/86/75/947318675.db2.gz GOWNWMGQSNZUHD-CQSZACIVSA-N 0 3 364.559 3.983 20 30 FHEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000523623608 947453564 /nfs/dbraw/zinc/45/35/64/947453564.db2.gz PKMDGOSWWVLGRE-APWZRJJASA-N 0 3 357.498 3.688 20 30 FHEDHN C=CCCC[C@H]([NH2+]C[C@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573335134 947472696 /nfs/dbraw/zinc/47/26/96/947472696.db2.gz MLZYCMZRBHDDMH-PMACEKPBSA-N 0 3 363.465 3.587 20 30 FHEDHN C=CCCC[C@H]([NH2+]C[C@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573335134 947472702 /nfs/dbraw/zinc/47/27/02/947472702.db2.gz MLZYCMZRBHDDMH-PMACEKPBSA-N 0 3 363.465 3.587 20 30 FHEDHN CN(C)C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000549616388 948072446 /nfs/dbraw/zinc/07/24/46/948072446.db2.gz AXRZERIYTOOSCD-LJQANCHMSA-N 0 3 355.869 3.563 20 30 FHEDHN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)o1 ZINC000128757175 948089529 /nfs/dbraw/zinc/08/95/29/948089529.db2.gz HKDDZHBTEBXYEM-ZDUSSCGKSA-N 0 3 360.797 3.774 20 30 FHEDHN Cc1cc(F)cc(CN2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001143586728 948410326 /nfs/dbraw/zinc/41/03/26/948410326.db2.gz UMVATBNXTRCPMF-JOCHJYFZSA-N 0 3 363.436 3.635 20 30 FHEDHN Cc1nccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1Cl ZINC000159173466 567864999 /nfs/dbraw/zinc/86/49/99/567864999.db2.gz AAVUMIBPZXTIGK-UHFFFAOYSA-N 0 3 371.872 3.511 20 30 FHEDHN Cn1cc(CNCc2ccc3ncccc3c2)c(-c2ccc(C#N)cc2)n1 ZINC000181856192 567965105 /nfs/dbraw/zinc/96/51/05/567965105.db2.gz HJOUNERRWKPNKB-UHFFFAOYSA-N 0 3 353.429 3.797 20 30 FHEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000481486528 567988355 /nfs/dbraw/zinc/98/83/55/567988355.db2.gz QBAFBFDCHGROHB-VLIAUNLRSA-N 0 3 371.868 3.906 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(COCC(F)(F)F)cc1 ZINC000602511676 567989313 /nfs/dbraw/zinc/98/93/13/567989313.db2.gz PUKHKICAWCMDRJ-OAHLLOKOSA-N 0 3 370.415 3.954 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000602589356 567994741 /nfs/dbraw/zinc/99/47/41/567994741.db2.gz QIPYETCNKSDHIJ-HNNXBMFYSA-N 0 3 350.384 3.745 20 30 FHEDHN CC[C@H](CC#N)N[C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000602613203 567997757 /nfs/dbraw/zinc/99/77/57/567997757.db2.gz UBQTVHCQNAVMRM-BRWVUGGUSA-N 0 3 350.304 3.866 20 30 FHEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H](C)C(C)(C)C)cc1 ZINC000602991046 568038932 /nfs/dbraw/zinc/03/89/32/568038932.db2.gz SLTRTXNHPWRFFT-KBPBESRZSA-N 0 3 365.499 3.518 20 30 FHEDHN CC[C@](C)(N)c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603177943 568068205 /nfs/dbraw/zinc/06/82/05/568068205.db2.gz HBMARJUMQPDXSF-NRFANRHFSA-N 0 3 359.477 3.762 20 30 FHEDHN COc1cccc(NC2CCN(CCOc3ccc(C#N)cc3)CC2)c1 ZINC000110036980 568071536 /nfs/dbraw/zinc/07/15/36/568071536.db2.gz AVVPNGMSTSRAGY-UHFFFAOYSA-N 0 3 351.450 3.522 20 30 FHEDHN CCC[C@@H](N)c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603180993 568074008 /nfs/dbraw/zinc/07/40/08/568074008.db2.gz QRRMCTUWPJRTHT-HXUWFJFHSA-N 0 3 359.477 3.978 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCNC(=O)c1ccccc1Cl ZINC000481649048 568080050 /nfs/dbraw/zinc/08/00/50/568080050.db2.gz BZNSYVXDAPAJJV-FQEVSTJZSA-N 0 3 367.880 3.999 20 30 FHEDHN C=CCc1cc(CNCCN2CCCc3ccccc32)cc(OC)c1O ZINC000603511512 568110678 /nfs/dbraw/zinc/11/06/78/568110678.db2.gz FQGSUHRLQQZNJI-UHFFFAOYSA-N 0 3 352.478 3.672 20 30 FHEDHN CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000603658116 568134123 /nfs/dbraw/zinc/13/41/23/568134123.db2.gz LWIPMTUANJRGQB-FQEVSTJZSA-N 0 3 362.477 3.884 20 30 FHEDHN CN(C(=O)CN1CCC[C@@H]1CCc1ccccc1)C1(C#N)CCCCC1 ZINC000603855656 568167971 /nfs/dbraw/zinc/16/79/71/568167971.db2.gz ACLJRKNYPIHPRI-HXUWFJFHSA-N 0 3 353.510 3.768 20 30 FHEDHN CN(C(=O)CN1CCC[C@H]1CCc1ccccc1)C1(C#N)CCCCC1 ZINC000603855655 568167981 /nfs/dbraw/zinc/16/79/81/568167981.db2.gz ACLJRKNYPIHPRI-FQEVSTJZSA-N 0 3 353.510 3.768 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000568806698 568229100 /nfs/dbraw/zinc/22/91/00/568229100.db2.gz JTTBWYFCUGRDPH-LEWJYISDSA-N 0 3 374.488 3.853 20 30 FHEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000303638358 568268155 /nfs/dbraw/zinc/26/81/55/568268155.db2.gz HHOKNOYEBFHKHV-BLIXFSHQSA-N 0 3 357.473 3.626 20 30 FHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520760 568308046 /nfs/dbraw/zinc/30/80/46/568308046.db2.gz MHISSABTTLGMJM-RPUPUWCGSA-N 0 3 371.525 3.529 20 30 FHEDHN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000031619645 568334857 /nfs/dbraw/zinc/33/48/57/568334857.db2.gz ASTXLRROZRUWMI-QGZVFWFLSA-N 0 3 363.461 3.950 20 30 FHEDHN COC[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000569527984 568405519 /nfs/dbraw/zinc/40/55/19/568405519.db2.gz FOUYMNSJJGNTBR-GOSISDBHSA-N 0 3 357.841 3.518 20 30 FHEDHN Cc1noc(C[C@@H](NC2CC(C#N)(c3ccccc3)C2)c2ccccc2)n1 ZINC000365289922 568427834 /nfs/dbraw/zinc/42/78/34/568427834.db2.gz HKQZVMHXZZCTSW-SNCIUUNGSA-N 0 3 358.445 3.875 20 30 FHEDHN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824761954 608463494 /nfs/dbraw/zinc/46/34/94/608463494.db2.gz DIAFHOQSXDBCRK-OAHLLOKOSA-N 0 3 356.433 3.589 20 30 FHEDHN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824761954 608463492 /nfs/dbraw/zinc/46/34/92/608463492.db2.gz DIAFHOQSXDBCRK-OAHLLOKOSA-N 0 3 356.433 3.589 20 30 FHEDHN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824761954 608463493 /nfs/dbraw/zinc/46/34/93/608463493.db2.gz DIAFHOQSXDBCRK-OAHLLOKOSA-N 0 3 356.433 3.589 20 30 FHEDHN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824761954 608463495 /nfs/dbraw/zinc/46/34/95/608463495.db2.gz DIAFHOQSXDBCRK-OAHLLOKOSA-N 0 3 356.433 3.589 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000121253696 927237877 /nfs/dbraw/zinc/23/78/77/927237877.db2.gz KIXNHAGYSUAEPH-UHFFFAOYSA-N 0 3 373.497 3.804 20 30 FHEDHN C=C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000155115596 937283613 /nfs/dbraw/zinc/28/36/13/937283613.db2.gz KOVPBWFSSKAWAY-OAQYLSRUSA-N 0 3 361.489 3.808 20 30 FHEDHN C=CCc1cc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)cc(OC)c1O ZINC000657747741 937311807 /nfs/dbraw/zinc/31/18/07/937311807.db2.gz RRMIBSMYHFBMNI-RTWAWAEBSA-N 0 3 355.478 3.977 20 30 FHEDHN C=CCCCN(CCC)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001209160202 929390910 /nfs/dbraw/zinc/39/09/10/929390910.db2.gz JATIPGVIOJNVNY-AWEZNQCLSA-N 0 3 352.500 3.848 20 30 FHEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000579967355 929647640 /nfs/dbraw/zinc/64/76/40/929647640.db2.gz FHAGJGMQBWRNIO-QGZVFWFLSA-N 0 3 357.498 3.819 20 30 FHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c(F)cc(C#N)cc1F ZINC000187316994 929900846 /nfs/dbraw/zinc/90/08/46/929900846.db2.gz FXVUVUUGHBNHIN-LJQANCHMSA-N 0 3 371.431 3.723 20 30 FHEDHN C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348944 930065512 /nfs/dbraw/zinc/06/55/12/930065512.db2.gz CZKBNIDURYDECO-XGHQBKJUSA-N 0 3 362.477 3.754 20 30 FHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(F)cc1C#N ZINC000083577111 930661257 /nfs/dbraw/zinc/66/12/57/930661257.db2.gz QATBUZCZOKMODH-MRXNPFEDSA-N 0 3 366.440 3.826 20 30 FHEDHN N#Cc1cccc(C2(NCCOc3ccc(Br)cc3)CC2)c1 ZINC000581325516 931839693 /nfs/dbraw/zinc/83/96/93/931839693.db2.gz CMPYBNZBQXHCQR-UHFFFAOYSA-N 0 3 357.251 3.978 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(N3CCCC3)nc2)s1 ZINC000430591124 931987412 /nfs/dbraw/zinc/98/74/12/931987412.db2.gz JTPBMWCTIRDFAL-AWEZNQCLSA-N 0 3 354.479 3.926 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(N3CCCC3)nc2)s1 ZINC000430591124 931987417 /nfs/dbraw/zinc/98/74/17/931987417.db2.gz JTPBMWCTIRDFAL-AWEZNQCLSA-N 0 3 354.479 3.926 20 30 FHEDHN CC(C)CCSCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000121350234 932036665 /nfs/dbraw/zinc/03/66/65/932036665.db2.gz KCCGGVZGRBHOSI-LBPRGKRZSA-N 0 3 356.850 3.906 20 30 FHEDHN COc1cc(OC)c(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1OC ZINC000430603916 932065652 /nfs/dbraw/zinc/06/56/52/932065652.db2.gz OQBVNRBBWWBMLT-GFCCVEGCSA-N 0 3 374.462 3.956 20 30 FHEDHN COc1cc(N[C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000178059116 932244578 /nfs/dbraw/zinc/24/45/78/932244578.db2.gz QULWCCQCTNIEBZ-GOSISDBHSA-N 0 3 351.450 3.652 20 30 FHEDHN Cc1ccccc1O[C@H]1CCCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000548212072 932636827 /nfs/dbraw/zinc/63/68/27/932636827.db2.gz WMVGUWZXPJQWIJ-WMZOPIPTSA-N 0 3 369.490 3.847 20 30 FHEDHN COc1ccc([C@H]2CCCN2CCOc2cccc(C#N)c2)cc1OC ZINC000051284054 932900206 /nfs/dbraw/zinc/90/02/06/932900206.db2.gz RXJILPRYRXPIDM-LJQANCHMSA-N 0 3 352.434 3.791 20 30 FHEDHN C=CCOc1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000092484550 934069902 /nfs/dbraw/zinc/06/99/02/934069902.db2.gz JCTRUVPZQJYRGI-UHFFFAOYSA-N 0 3 356.491 3.707 20 30 FHEDHN C[C@@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610774853 934158358 /nfs/dbraw/zinc/15/83/58/934158358.db2.gz YCZUIJYRONVLMM-UTKZUKDTSA-N 0 3 362.477 3.535 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)CC1 ZINC000458319807 934686883 /nfs/dbraw/zinc/68/68/83/934686883.db2.gz LFVRTAHRUQGADY-RRFJBIMHSA-N 0 3 361.452 3.788 20 30 FHEDHN C[C@H]1C[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000610986426 934689563 /nfs/dbraw/zinc/68/95/63/934689563.db2.gz PRYNRMAGYUCYJY-LAUBAEHRSA-N 0 3 374.488 3.510 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(CCC(C)C)c2CC)CC1 ZINC000277227665 934816149 /nfs/dbraw/zinc/81/61/49/934816149.db2.gz JQNSAHOTCPPABQ-UHFFFAOYSA-N 0 3 361.534 3.654 20 30 FHEDHN CC(C)C(=O)N1CCC(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000329032899 934919077 /nfs/dbraw/zinc/91/90/77/934919077.db2.gz XQANZQDBQKYGPX-YLJYHZDGSA-N 0 3 371.525 3.673 20 30 FHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)c2ccccc2)cc1 ZINC000119643942 934978336 /nfs/dbraw/zinc/97/83/36/934978336.db2.gz OVNVHAIXHFMLEP-GOSISDBHSA-N 0 3 350.418 3.710 20 30 FHEDHN N#CC(C(=O)C=Cc1nc2ccccc2s1)c1nnc2n1CCCCC2 ZINC000255472713 935104230 /nfs/dbraw/zinc/10/42/30/935104230.db2.gz VBIOWXRXOWHZLR-XPSMFNQNSA-N 0 3 363.446 3.504 20 30 FHEDHN Cc1nn(C)c(N2CCN(CCCc3cccc4ccccc43)CC2)c1C#N ZINC000472155138 935224534 /nfs/dbraw/zinc/22/45/34/935224534.db2.gz JNCTVFOYSONQAG-UHFFFAOYSA-N 0 3 373.504 3.508 20 30 FHEDHN COc1cccc(C=Nc2ccc(CCN3CCSCC3)cc2)c1O ZINC000255492631 935332635 /nfs/dbraw/zinc/33/26/35/935332635.db2.gz OQWLSALADTUFPO-UHFFFAOYSA-N 0 3 356.491 3.743 20 30 FHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000118394291 935401414 /nfs/dbraw/zinc/40/14/14/935401414.db2.gz KKNLQVSPWPBBAT-MRXNPFEDSA-N 0 3 354.498 3.716 20 30 FHEDHN CC(C)CC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000435519479 935462713 /nfs/dbraw/zinc/46/27/13/935462713.db2.gz ZQPFTLITONYOSW-UHFFFAOYSA-N 0 3 358.530 3.704 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2csc(Cc3ccc(C)cc3)n2)CC1 ZINC000507295037 945110734 /nfs/dbraw/zinc/11/07/34/945110734.db2.gz KDOKINWBVZQKPU-UHFFFAOYSA-N 0 3 369.534 3.813 20 30 FHEDHN COc1ccc(COCCNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000562071608 935781709 /nfs/dbraw/zinc/78/17/09/935781709.db2.gz HUHGCTBTEIKLGO-UHFFFAOYSA-N 0 3 364.367 3.892 20 30 FHEDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc(C#N)ccc2Cl)c1 ZINC000511144726 935789863 /nfs/dbraw/zinc/78/98/63/935789863.db2.gz KKWAUACVWAZQAQ-UHFFFAOYSA-N 0 3 355.869 3.724 20 30 FHEDHN CN(Cc1ccc(Br)c(F)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000755195633 935961341 /nfs/dbraw/zinc/96/13/41/935961341.db2.gz PGEZEIJGJPVSTR-KRWDZBQOSA-N 0 3 363.230 3.625 20 30 FHEDHN N#CC(C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CCCCO1 ZINC000121972067 936222878 /nfs/dbraw/zinc/22/28/78/936222878.db2.gz IZHOUIHHCLGOBW-VQIMIIECSA-N 0 3 364.401 3.695 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccccc1C#N ZINC000052485634 938339501 /nfs/dbraw/zinc/33/95/01/938339501.db2.gz LUQVDTDZXXXAQM-UHFFFAOYSA-N 0 3 367.522 3.656 20 30 FHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000583934132 938488604 /nfs/dbraw/zinc/48/86/04/938488604.db2.gz OGZPTMWYEFRUJS-ZDUSSCGKSA-N 0 3 370.430 3.523 20 30 FHEDHN C=CCOc1ccccc1CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000506743083 945180339 /nfs/dbraw/zinc/18/03/39/945180339.db2.gz KBHIISAMRJVHTC-UHFFFAOYSA-N 0 3 364.489 3.780 20 30 FHEDHN COc1ccccc1[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCCC1 ZINC000248186425 938550264 /nfs/dbraw/zinc/55/02/64/938550264.db2.gz HUAFSPMDFBFXMN-IBGZPJMESA-N 0 3 366.421 3.724 20 30 FHEDHN CN(C)[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000151472640 938552046 /nfs/dbraw/zinc/55/20/46/938552046.db2.gz UVXIWFVTIWJDFK-PMACEKPBSA-N 0 3 350.466 3.634 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2sccc21 ZINC000124264777 945202793 /nfs/dbraw/zinc/20/27/93/945202793.db2.gz DOEYWWWWFJCIFY-IBGZPJMESA-N 0 3 367.518 3.630 20 30 FHEDHN C=C(C)[C@H](NC[C@@H](O)COCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187786155 938779851 /nfs/dbraw/zinc/77/98/51/938779851.db2.gz QTZZJHQOVALAFS-UZLBHIALSA-N 0 3 365.395 3.888 20 30 FHEDHN Cc1ccc(C(=O)NC2CCN([C@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000118395399 938821992 /nfs/dbraw/zinc/82/19/92/938821992.db2.gz XVHOLZRNAZJONH-OAHLLOKOSA-N 0 3 353.491 3.884 20 30 FHEDHN CC(C)C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000128195818 938878127 /nfs/dbraw/zinc/87/81/27/938878127.db2.gz VSQSRVIIZRLFJM-HXUWFJFHSA-N 0 3 356.491 3.709 20 30 FHEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000248759206 938887142 /nfs/dbraw/zinc/88/71/42/938887142.db2.gz GKXKZWJDVPYPOD-HSMVNMDESA-N 0 3 352.265 3.771 20 30 FHEDHN C=CCOc1ccccc1CN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000092144985 938912032 /nfs/dbraw/zinc/91/20/32/938912032.db2.gz UKIWDEVDDKBENM-UHFFFAOYSA-N 0 3 356.510 3.722 20 30 FHEDHN Cc1ccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000143172639 938949218 /nfs/dbraw/zinc/94/92/18/938949218.db2.gz RPAZIOFSFJLUFG-JOCHJYFZSA-N 0 3 361.489 3.753 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCc2sccc2C1=O ZINC000892419228 939015798 /nfs/dbraw/zinc/01/57/98/939015798.db2.gz AGNRPAKYADICTB-GXTWGEPZSA-N 0 3 363.442 3.646 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000188009586 939016813 /nfs/dbraw/zinc/01/68/13/939016813.db2.gz CTGHWAWHIXXERC-LJQANCHMSA-N 0 3 367.518 3.851 20 30 FHEDHN CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000507462398 945250618 /nfs/dbraw/zinc/25/06/18/945250618.db2.gz DKVCZVKQLCZGGZ-OXJNMPFZSA-N 0 3 365.452 3.995 20 30 FHEDHN C=CCOc1ccc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000506451697 945270766 /nfs/dbraw/zinc/27/07/66/945270766.db2.gz LQNWJUQKYQLZIX-UHFFFAOYSA-N 0 3 368.452 3.785 20 30 FHEDHN C=CCOc1ccc(CC(=O)N(c2ccccc2)C2CCN(C)CC2)cc1 ZINC000658708210 939909552 /nfs/dbraw/zinc/90/95/52/939909552.db2.gz WUDSWYVYIDEVAJ-UHFFFAOYSA-N 0 3 364.489 3.921 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000507505482 945285211 /nfs/dbraw/zinc/28/52/11/945285211.db2.gz BJZBFGLRYCKLFB-RHSMWYFYSA-N 0 3 353.853 3.777 20 30 FHEDHN C[C@@H]1CO[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000892489113 940022706 /nfs/dbraw/zinc/02/27/06/940022706.db2.gz DTKOAFOMVHUKDX-URLQWDBASA-N 0 3 364.401 3.551 20 30 FHEDHN Cc1nc(C(C)C)ncc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000892493182 940044764 /nfs/dbraw/zinc/04/47/64/940044764.db2.gz CQFSFRVOGDVKGO-CQSZACIVSA-N 0 3 356.813 3.523 20 30 FHEDHN Cc1nc(C(C)C)ncc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000892493182 940044765 /nfs/dbraw/zinc/04/47/65/940044765.db2.gz CQFSFRVOGDVKGO-CQSZACIVSA-N 0 3 356.813 3.523 20 30 FHEDHN Cc1ccccc1SCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931323 940079298 /nfs/dbraw/zinc/07/92/98/940079298.db2.gz UOIAPSHATWUZEK-UHFFFAOYSA-N 0 3 367.518 3.549 20 30 FHEDHN CCOCc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180048971 940325737 /nfs/dbraw/zinc/32/57/37/940325737.db2.gz VQWQKEWFAINXJK-UHFFFAOYSA-N 0 3 360.461 3.785 20 30 FHEDHN CCN1CCCC[C@@H]1C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000124714788 945315410 /nfs/dbraw/zinc/31/54/10/945315410.db2.gz MSFVLNXBWMXAPI-SJLPKXTDSA-N 0 3 369.490 3.869 20 30 FHEDHN C=CCc1cc(CN2CCCN(c3ccccc3)CC2)cc(OC)c1O ZINC000511474677 940506807 /nfs/dbraw/zinc/50/68/07/940506807.db2.gz BRYXSXIDMRCDBA-UHFFFAOYSA-N 0 3 352.478 3.842 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]/CCCS(=O)(=O)c2ccccc2)c([O-])c1 ZINC000124907637 945341252 /nfs/dbraw/zinc/34/12/52/945341252.db2.gz ZYFUEDBICQBCHP-LTGZKZEYSA-N 0 3 374.506 3.521 20 30 FHEDHN CC[C@@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000330085491 945350339 /nfs/dbraw/zinc/35/03/39/945350339.db2.gz RJHUIUJLVGDQOU-AEFFLSMTSA-N 0 3 352.862 3.588 20 30 FHEDHN C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CCCN3C3CCCC3)cn2)C[C@H](C)O1 ZINC000330099720 945356383 /nfs/dbraw/zinc/35/63/83/945356383.db2.gz ZYYJNVAMPUEINT-JTDSTZFVSA-N 0 3 372.513 3.690 20 30 FHEDHN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000330128528 945367827 /nfs/dbraw/zinc/36/78/27/945367827.db2.gz NRQWLZUXHQIHSQ-FUHWJXTLSA-N 0 3 356.445 3.795 20 30 FHEDHN C=CCCC1(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CCCC1 ZINC000659040789 941043445 /nfs/dbraw/zinc/04/34/45/941043445.db2.gz MXSMPERCVNSDKD-IBGZPJMESA-N 0 3 357.498 3.996 20 30 FHEDHN C=CC[C@@H]1N(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CCCC1(C)C ZINC000659044422 941045322 /nfs/dbraw/zinc/04/53/22/941045322.db2.gz UFRCMMBWAGUUIN-MOPGFXCFSA-N 0 3 357.498 3.946 20 30 FHEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000181012398 941103397 /nfs/dbraw/zinc/10/33/97/941103397.db2.gz QBMJGTJWFIZLIX-NSHDSACASA-N 0 3 366.726 3.647 20 30 FHEDHN C[C@@H]1CCN(C(=O)NCC(C)(C)CCC#N)CCN1Cc1ccccc1 ZINC000377043494 941501287 /nfs/dbraw/zinc/50/12/87/941501287.db2.gz FMTMWNIAKJSWSW-GOSISDBHSA-N 0 3 356.514 3.622 20 30 FHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415067546 941582610 /nfs/dbraw/zinc/58/26/10/941582610.db2.gz USUIDBQLCKFZDM-HOTGVXAUSA-N 0 3 364.449 3.873 20 30 FHEDHN N#CCCCOc1cccc(CN2CCCN(c3cncc(F)c3)CC2)c1 ZINC000377241866 941587279 /nfs/dbraw/zinc/58/72/79/941587279.db2.gz GRCRWHYCQDYGKI-UHFFFAOYSA-N 0 3 368.456 3.616 20 30 FHEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415167054 941648517 /nfs/dbraw/zinc/64/85/17/941648517.db2.gz SBQCQGCKTXSIFF-LSDHHAIUSA-N 0 3 350.422 3.565 20 30 FHEDHN C=CCC[C@H](O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000472744619 941663793 /nfs/dbraw/zinc/66/37/93/941663793.db2.gz CJMULIQZIDJEPT-WMZHIEFXSA-N 0 3 367.489 3.978 20 30 FHEDHN N#Cc1ccc(NC(=O)NC[C@H]2NCCc3ccccc32)cc1C(F)(F)F ZINC000415210339 941678296 /nfs/dbraw/zinc/67/82/96/941678296.db2.gz JQFFKDOOZQVFMH-QGZVFWFLSA-N 0 3 374.366 3.586 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000377398220 941691771 /nfs/dbraw/zinc/69/17/71/941691771.db2.gz JCGPCCWZGATBMT-NRFANRHFSA-N 0 3 364.493 3.511 20 30 FHEDHN C=C(C)Cn1c(CC)nnc1N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000549246420 941735697 /nfs/dbraw/zinc/73/56/97/941735697.db2.gz IINCIHGYADIDQK-IBGZPJMESA-N 0 3 353.514 3.517 20 30 FHEDHN CN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc21 ZINC000513440928 941927650 /nfs/dbraw/zinc/92/76/50/941927650.db2.gz YSBDKOXEYYFFEP-UHFFFAOYSA-N 0 3 371.488 3.916 20 30 FHEDHN N#Cc1cccc(CNC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000513561117 942017632 /nfs/dbraw/zinc/01/76/32/942017632.db2.gz UCQAQVLBMGWMOF-QHCPKHFHSA-N 0 3 369.468 3.748 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(F)cc2CSC)CC1 ZINC000087088502 942052819 /nfs/dbraw/zinc/05/28/19/942052819.db2.gz PCAFIOMZGPNNIU-UHFFFAOYSA-N 0 3 365.518 3.528 20 30 FHEDHN CN(Cc1ccc(F)c(C#N)c1Cl)C1CCN(Cc2ccncc2)CC1 ZINC000377923302 942073169 /nfs/dbraw/zinc/07/31/69/942073169.db2.gz RGTNEAVSZMUMJH-UHFFFAOYSA-N 0 3 372.875 3.842 20 30 FHEDHN C[C@@H](NCc1cnc(N(C)C)n1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419693289 942353781 /nfs/dbraw/zinc/35/37/81/942353781.db2.gz NCPZUTCWOHTQJA-MRXNPFEDSA-N 0 3 359.477 3.876 20 30 FHEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000501319453 942399137 /nfs/dbraw/zinc/39/91/37/942399137.db2.gz TWRLTHPIVUWVDF-LJQANCHMSA-N 0 3 360.461 3.890 20 30 FHEDHN N#Cc1ccc(C2=CCN(CCC(=O)Nc3cc(F)cc(F)c3)CC2)cc1 ZINC000502497656 942492134 /nfs/dbraw/zinc/49/21/34/942492134.db2.gz XRWKDLATKTYDMG-UHFFFAOYSA-N 0 3 367.399 3.954 20 30 FHEDHN COc1cc(CNCC2(CC#N)CC2)ccc1OCc1c(C)noc1C ZINC000430041200 942606767 /nfs/dbraw/zinc/60/67/67/942606767.db2.gz MCTYCIABCNDSON-UHFFFAOYSA-N 0 3 355.438 3.663 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cc2cccc(F)c2o1 ZINC000122925360 942737402 /nfs/dbraw/zinc/73/74/02/942737402.db2.gz ZSPRTNDEPKOEFO-LBPRGKRZSA-N 0 3 352.321 3.542 20 30 FHEDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000421701474 942757600 /nfs/dbraw/zinc/75/76/00/942757600.db2.gz HTLIUHMPHXUOBX-KRWDZBQOSA-N 0 3 365.502 3.876 20 30 FHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000502894924 942823241 /nfs/dbraw/zinc/82/32/41/942823241.db2.gz FFRQZMMWYZTJKK-FQEVSTJZSA-N 0 3 373.545 3.569 20 30 FHEDHN COC[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000434790332 942969669 /nfs/dbraw/zinc/96/96/69/942969669.db2.gz SZENQOBJDIKCTR-YADHBBJMSA-N 0 3 364.489 3.670 20 30 FHEDHN Fc1ccc(CNCCOCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000434792714 942971010 /nfs/dbraw/zinc/97/10/10/942971010.db2.gz IVRVMYZYHRNUGL-UHFFFAOYSA-N 0 3 351.237 3.851 20 30 FHEDHN C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc2c(c1)CCCC2 ZINC000434861599 943014274 /nfs/dbraw/zinc/01/42/74/943014274.db2.gz ARUKIAGEQHMORQ-IFXJQAMLSA-N 0 3 365.502 3.955 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@]2(C)Cc2ccc(F)cc2)CC1 ZINC000422172433 943021667 /nfs/dbraw/zinc/02/16/67/943021667.db2.gz XHTCHWIVHUHUTF-NRFANRHFSA-N 0 3 359.489 3.583 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)CC1 ZINC000422172440 943021868 /nfs/dbraw/zinc/02/18/68/943021868.db2.gz XHTCHWIVHUHUTF-OAQYLSRUSA-N 0 3 359.489 3.583 20 30 FHEDHN CCc1ccc([C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)N(C)C)cc1 ZINC000435037228 943104224 /nfs/dbraw/zinc/10/42/24/943104224.db2.gz XHEIOGGIJDCJLS-NRFANRHFSA-N 0 3 361.489 3.571 20 30 FHEDHN C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](c1ccccc1)N(C)C ZINC000505591078 943106186 /nfs/dbraw/zinc/10/61/86/943106186.db2.gz LBRCGTLXTQEZEN-YCRPNKLZSA-N 0 3 374.444 3.634 20 30 FHEDHN N#CCOc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000272601944 943184274 /nfs/dbraw/zinc/18/42/74/943184274.db2.gz YNPOFUBDYOGNIW-UHFFFAOYSA-N 0 3 364.371 3.641 20 30 FHEDHN COC(=O)[C@@H]1CN(Cc2cc(C#N)cs2)C[C@H]1c1ccc(Cl)cc1 ZINC000430137254 943213916 /nfs/dbraw/zinc/21/39/16/943213916.db2.gz YKYCSCNKIWHOMN-DLBZAZTESA-N 0 3 360.866 3.662 20 30 FHEDHN N#Cc1cccc(CCN[C@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000503558373 943259894 /nfs/dbraw/zinc/25/98/94/943259894.db2.gz RIFOTSOPKAQMPQ-QHCPKHFHSA-N 0 3 369.468 3.748 20 30 FHEDHN C=CCOc1ccc(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)cc1 ZINC000093009188 943315867 /nfs/dbraw/zinc/31/58/67/943315867.db2.gz AWZRJZKYVNSNPS-UHFFFAOYSA-N 0 3 368.477 3.856 20 30 FHEDHN CN1C(=O)C[C@@H](NCCC2(C#N)CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000514844993 943326937 /nfs/dbraw/zinc/32/69/37/943326937.db2.gz QLDUWGHWATZSCR-IEBWSBKVSA-N 0 3 361.436 3.690 20 30 FHEDHN N#C[C@H]1CC[C@@H](NCc2cc(Br)cc(Br)c2N)C1 ZINC000425349215 943352245 /nfs/dbraw/zinc/35/22/45/943352245.db2.gz GGWJTAFQVGSITD-GZMMTYOYSA-N 0 3 373.092 3.576 20 30 FHEDHN CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000435355664 943352668 /nfs/dbraw/zinc/35/26/68/943352668.db2.gz PKZNLFYSZXNZCD-QFIPXVFZSA-N 0 3 373.500 3.713 20 30 FHEDHN COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1F ZINC000424100966 943718872 /nfs/dbraw/zinc/71/88/72/943718872.db2.gz IOEBZNYBOJZQAX-INIZCTEOSA-N 0 3 371.412 3.895 20 30 FHEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424121427 943742097 /nfs/dbraw/zinc/74/20/97/943742097.db2.gz GAJSBOTVKIHOKL-CJNGLKHVSA-N 0 3 356.495 3.625 20 30 FHEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424121424 943742176 /nfs/dbraw/zinc/74/21/76/943742176.db2.gz GAJSBOTVKIHOKL-BBRMVZONSA-N 0 3 356.495 3.625 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000424154611 943755632 /nfs/dbraw/zinc/75/56/32/943755632.db2.gz ONELZBWDNWQTQN-VQTJNVASSA-N 0 3 367.880 3.987 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000424179145 943762143 /nfs/dbraw/zinc/76/21/43/943762143.db2.gz YJFAKSYEZUCJOA-GOSISDBHSA-N 0 3 357.454 3.614 20 30 FHEDHN CCOc1c(Br)cc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000424192643 943779316 /nfs/dbraw/zinc/77/93/16/943779316.db2.gz JLNNELOFVOQCHX-WCQYABFASA-N 0 3 353.260 3.638 20 30 FHEDHN C=CCN(CC=C)CCN1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000197499268 943868010 /nfs/dbraw/zinc/86/80/10/943868010.db2.gz FFVMLKULWCCFQH-UHFFFAOYSA-N 0 3 370.541 3.634 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)CC1 ZINC000516986973 943891456 /nfs/dbraw/zinc/89/14/56/943891456.db2.gz WRGWZFOOXUMISN-HXUWFJFHSA-N 0 3 355.526 3.610 20 30 FHEDHN Cc1cccc2c(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)coc21 ZINC000424592569 944011128 /nfs/dbraw/zinc/01/11/28/944011128.db2.gz BEKJUBBNXTVJMY-UHFFFAOYSA-N 0 3 361.445 3.817 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000437736694 944066117 /nfs/dbraw/zinc/06/61/17/944066117.db2.gz WWJJHSMUIQUTFC-MAUKXSAKSA-N 0 3 365.880 3.675 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000436307336 944190412 /nfs/dbraw/zinc/19/04/12/944190412.db2.gz RGWYUCKOODBPCX-RFUYNDQBSA-N 0 3 360.889 3.861 20 30 FHEDHN COc1ccc(OCCN(C)[C@@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000425528933 944238545 /nfs/dbraw/zinc/23/85/45/944238545.db2.gz AAJFTNVYQXASJA-AWEZNQCLSA-N 0 3 355.394 3.547 20 30 FHEDHN N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000500214974 944277983 /nfs/dbraw/zinc/27/79/83/944277983.db2.gz ACEQCEUIOLGRKJ-UNMCSNQZSA-N 0 3 359.473 3.618 20 30 FHEDHN C=CCN1CCC(NC(=O)c2ccccc2SCc2cscn2)CC1 ZINC000518501682 944435005 /nfs/dbraw/zinc/43/50/05/944435005.db2.gz MKXZTDUKNJNMPN-UHFFFAOYSA-N 0 3 373.547 3.816 20 30 FHEDHN C=CCCO[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001125937464 944473580 /nfs/dbraw/zinc/47/35/80/944473580.db2.gz SROUQGYOMNTYRY-OAHLLOKOSA-N 0 3 372.431 3.577 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)Nc1cccc(OCC#N)c1)c1ccsc1 ZINC000048510619 944474508 /nfs/dbraw/zinc/47/45/08/944474508.db2.gz GREBJZZUVNLACD-SFHVURJKSA-N 0 3 372.494 3.855 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000047010455 944518290 /nfs/dbraw/zinc/51/82/90/944518290.db2.gz CJMGIMPSPVZGSZ-JOCHJYFZSA-N 0 3 361.489 3.569 20 30 FHEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000425606207 944519990 /nfs/dbraw/zinc/51/99/90/944519990.db2.gz MGVMYWSYOVYCQS-SFTDATJTSA-N 0 3 361.489 3.984 20 30 FHEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000425606204 944520066 /nfs/dbraw/zinc/52/00/66/944520066.db2.gz MGVMYWSYOVYCQS-RTWAWAEBSA-N 0 3 361.489 3.984 20 30 FHEDHN Cc1cccc(C2=CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000092821953 944545577 /nfs/dbraw/zinc/54/55/77/944545577.db2.gz BBHGTGYHESQKJW-JOCHJYFZSA-N 0 3 362.473 3.590 20 30 FHEDHN N#Cc1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1Cl ZINC000517733890 944546746 /nfs/dbraw/zinc/54/67/46/944546746.db2.gz FCNXCSGDCFLWNQ-AZUAARDMSA-N 0 3 365.864 3.558 20 30 FHEDHN C=CCN1CC[C@@H](N(CC)[C@@H](C)Cc2ccccc2C(F)(F)F)C1=O ZINC000499771270 944578323 /nfs/dbraw/zinc/57/83/23/944578323.db2.gz HXPJIVAOTNHMQB-WMLDXEAASA-N 0 3 354.416 3.745 20 30 FHEDHN Cc1cccc2c1CN(CC(=O)C(C#N)c1nc3ccccc3s1)CC2 ZINC000759878760 944705086 /nfs/dbraw/zinc/70/50/86/944705086.db2.gz HFGJWKCYJKMPKN-MRXNPFEDSA-N 0 3 361.470 3.839 20 30 FHEDHN C[C@@](C#N)(NC(=O)CN(Cc1ccccc1)[C@H]1CCCC1(C)C)C1CC1 ZINC000426836070 944855310 /nfs/dbraw/zinc/85/53/10/944855310.db2.gz SXQQQFUPDOIINA-UGKGYDQZSA-N 0 3 353.510 3.876 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000518004844 944924865 /nfs/dbraw/zinc/92/48/65/944924865.db2.gz BACGUYGAQJCHSM-UHFFFAOYSA-N 0 3 370.266 3.750 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@H]2C)CC1 ZINC000507174217 945023216 /nfs/dbraw/zinc/02/32/16/945023216.db2.gz CBWIJYMQFQZHEA-FOIQADDNSA-N 0 3 361.917 3.915 20 30 FHEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)CN1Cc1ccccc1 ZINC000426167271 945050494 /nfs/dbraw/zinc/05/04/94/945050494.db2.gz SGPLRHWGPAANMD-YOEHRIQHSA-N 0 3 368.868 3.996 20 30 FHEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000507612456 945375252 /nfs/dbraw/zinc/37/52/52/945375252.db2.gz CJQIRBOHGJZPRI-FXAWDEMLSA-N 0 3 350.462 3.817 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(n2cc(Br)cn2)CC1 ZINC000426623566 945380435 /nfs/dbraw/zinc/38/04/35/945380435.db2.gz PBBJUVPEPJCSHO-CYBMUJFWSA-N 0 3 359.271 3.915 20 30 FHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(n2cc(Br)cn2)CC1 ZINC000426623567 945380939 /nfs/dbraw/zinc/38/09/39/945380939.db2.gz PBBJUVPEPJCSHO-ZDUSSCGKSA-N 0 3 359.271 3.915 20 30 FHEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000330223622 945410932 /nfs/dbraw/zinc/41/09/32/945410932.db2.gz NELHWAOVYGZIOS-WOJBJXKFSA-N 0 3 371.525 3.646 20 30 FHEDHN CC(C)(C)c1ccc(SCC(=O)C(C#N)C(=O)Nc2ccccn2)cc1 ZINC000125049714 945529447 /nfs/dbraw/zinc/52/94/47/945529447.db2.gz DZPDFLJNASFLJE-INIZCTEOSA-N 0 3 367.474 3.819 20 30 FHEDHN Cc1ccc(C(C)C)c(OCC(=O)C(C#N)C(=O)NCc2ccccc2)c1 ZINC000126651233 945593449 /nfs/dbraw/zinc/59/34/49/945593449.db2.gz QMUNRMBDMSNCBG-IBGZPJMESA-N 0 3 364.445 3.523 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2cccc(C)c2Br)CC1 ZINC000120550965 945886877 /nfs/dbraw/zinc/88/68/77/945886877.db2.gz CAUUWJVCLDZCFU-UHFFFAOYSA-N 0 3 352.276 3.529 20 30 FHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103165178 946227357 /nfs/dbraw/zinc/22/73/57/946227357.db2.gz UMXYUACIGUCOGN-JKSUJKDBSA-N 0 3 356.441 3.746 20 30 FHEDHN Cc1cc(C#N)ccc1CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000186162114 946548339 /nfs/dbraw/zinc/54/83/39/946548339.db2.gz WHRUCOVCOUQBHQ-UHFFFAOYSA-N 0 3 359.473 3.924 20 30 FHEDHN C#CCN1CCC(C(=O)NCc2ccccc2Oc2cccc(C)c2)CC1 ZINC000303332819 946553769 /nfs/dbraw/zinc/55/37/69/946553769.db2.gz UQCZPZQEZXZCRU-UHFFFAOYSA-N 0 3 362.473 3.749 20 30 FHEDHN Cc1cc(C#N)ccc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186245347 946665474 /nfs/dbraw/zinc/66/54/74/946665474.db2.gz WPEUBVJZIAABCL-UHFFFAOYSA-N 0 3 351.406 3.818 20 30 FHEDHN CC1CCN(CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000609991273 946809681 /nfs/dbraw/zinc/80/96/81/946809681.db2.gz OXDHFKZESNBAHU-UHFFFAOYSA-N 0 3 362.477 3.764 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1coc2cc(F)ccc12 ZINC000475319778 946853157 /nfs/dbraw/zinc/85/31/57/946853157.db2.gz IFMAPBUACWJMTA-UHFFFAOYSA-N 0 3 365.408 3.648 20 30 FHEDHN N#CC[C@@H](CC(=O)N1CCN(CC2CCCCC2)CC1)c1ccccc1 ZINC000475326115 946886690 /nfs/dbraw/zinc/88/66/90/946886690.db2.gz RVDPWYNOHSASBV-NRFANRHFSA-N 0 3 353.510 3.798 20 30 FHEDHN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328690565 946989697 /nfs/dbraw/zinc/98/96/97/946989697.db2.gz BSYSPICNTPCLAC-NBYUQASBSA-N 0 3 374.525 3.957 20 30 FHEDHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328809659 947030897 /nfs/dbraw/zinc/03/08/97/947030897.db2.gz ODQBHSCZAFHAJR-GOEBONIOSA-N 0 3 358.442 3.531 20 30 FHEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1 ZINC000328823733 947040211 /nfs/dbraw/zinc/04/02/11/947040211.db2.gz IMMGQYQFHAJHQS-NXHRZFHOSA-N 0 3 363.465 3.918 20 30 FHEDHN C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H](C2CCOCC2)C1 ZINC000328838125 947059069 /nfs/dbraw/zinc/05/90/69/947059069.db2.gz NHUUIULXRXEQSQ-WBVHZDCISA-N 0 3 353.466 3.960 20 30 FHEDHN COc1cc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc(OC)c1OC ZINC000237277069 947085744 /nfs/dbraw/zinc/08/57/44/947085744.db2.gz JYSNARJYOWZLGJ-GJZGRUSLSA-N 0 3 370.449 3.854 20 30 FHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000328919734 947108985 /nfs/dbraw/zinc/10/89/85/947108985.db2.gz BRRGOSHYWVNDMV-ZACQAIPSSA-N 0 3 362.518 3.590 20 30 FHEDHN C[C@H]1CCCCN1CCNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330531016 947211780 /nfs/dbraw/zinc/21/17/80/947211780.db2.gz GODAACMHTJXFMV-LBPRGKRZSA-N 0 3 360.424 3.836 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000662083280 947218981 /nfs/dbraw/zinc/21/89/81/947218981.db2.gz BBDXBUFTXUTUDF-FUHIMQAGSA-N 0 3 370.493 3.550 20 30 FHEDHN C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000248730018 947311347 /nfs/dbraw/zinc/31/13/47/947311347.db2.gz JAUBOAXYCGNFEG-CDXJDZJCSA-N 0 3 363.461 3.643 20 30 FHEDHN CC/C(=C\C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000728862602 947802001 /nfs/dbraw/zinc/80/20/01/947802001.db2.gz BSASMZQOTXZCBJ-LTGZKZEYSA-N 0 3 361.489 3.942 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(C(C)(C)C)s1 ZINC000141479025 948227322 /nfs/dbraw/zinc/22/73/22/948227322.db2.gz YMIQIQZONRKTEW-UHFFFAOYSA-N 0 3 370.522 3.516 20 30 FHEDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000459111850 948328648 /nfs/dbraw/zinc/32/86/48/948328648.db2.gz SJWSFBDHLAOPAC-HXUWFJFHSA-N 0 3 356.514 3.600 20 30 FHEDHN Cc1cc(C)nc(N=NC(C)c2ccc([O-])c(C[NH+]3CCCCC3)c2)n1 ZINC000040161950 948623236 /nfs/dbraw/zinc/62/32/36/948623236.db2.gz FXISRBUZEPVHPA-KQWNVCNZSA-N 0 3 353.470 3.621 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)CC1 ZINC000536455227 948651149 /nfs/dbraw/zinc/65/11/49/948651149.db2.gz NIVNXDWZFAKRQP-UHFFFAOYSA-N 0 3 373.497 3.722 20 30 FHEDHN C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OC(C)=O)c1ccnc2ccc(OC)cc21 ZINC000136915331 210098077 /nfs/dbraw/zinc/09/80/77/210098077.db2.gz LBXIBQQYUBUMMK-LDHQQMMRSA-N 0 3 366.461 3.744 20 30 FHEDHN N#Cc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000097002298 222149461 /nfs/dbraw/zinc/14/94/61/222149461.db2.gz GUJZVFCQTZEZDO-UHFFFAOYSA-N 0 3 360.383 3.684 20 30 FHEDHN CN1CC[C@@H](CN[C@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328655849 523962716 /nfs/dbraw/zinc/96/27/16/523962716.db2.gz YVFWMOKKZDMMEX-JBACZVJFSA-N 0 3 364.493 3.524 20 30 FHEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000481460582 567956138 /nfs/dbraw/zinc/95/61/38/567956138.db2.gz SPBDNOVKXLURQT-VLIAUNLRSA-N 0 3 371.868 3.906 20 30 FHEDHN CCN1CCN(c2ccc(N[C@H](C)CC3(C#N)CCOCC3)c(C)c2)CC1 ZINC000602493896 567986412 /nfs/dbraw/zinc/98/64/12/567986412.db2.gz NBSHVLXNRSFHCI-LJQANCHMSA-N 0 3 370.541 3.648 20 30 FHEDHN CCOc1c(Cl)cc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602517662 567986802 /nfs/dbraw/zinc/98/68/02/567986802.db2.gz IWIMANGTCZISKX-AWEZNQCLSA-N 0 3 366.889 3.936 20 30 FHEDHN COc1ccccc1[C@@H](CN[C@H](C)CC1(C#N)CCOCC1)OC(C)C ZINC000602620627 567998554 /nfs/dbraw/zinc/99/85/54/567998554.db2.gz YOPDAZVLNIBZGL-YLJYHZDGSA-N 0 3 360.498 3.850 20 30 FHEDHN N#CCCCOc1cccc(CN2CC[C@@H](OCc3ccccn3)C2)c1 ZINC000602714394 568019681 /nfs/dbraw/zinc/01/96/81/568019681.db2.gz INGABAUTPTXJHZ-OAQYLSRUSA-N 0 3 351.450 3.555 20 30 FHEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000568384666 568035686 /nfs/dbraw/zinc/03/56/86/568035686.db2.gz VKUKIWFSLOPHMA-SAABIXHNSA-N 0 3 374.893 3.521 20 30 FHEDHN Cc1cc(C#N)cc(NC(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000568597459 568074700 /nfs/dbraw/zinc/07/47/00/568074700.db2.gz DCWSPJJCPCYIOI-NHCUHLMSSA-N 0 3 374.488 3.853 20 30 FHEDHN COC(=O)c1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000481665888 568080917 /nfs/dbraw/zinc/08/09/17/568080917.db2.gz GBEFMHAHOAGXAD-HXUWFJFHSA-N 0 3 364.445 3.911 20 30 FHEDHN N#Cc1cnc2c(F)cc(F)cc2c1N1CCN(C2CCCCC2)CC1 ZINC000481819671 568136868 /nfs/dbraw/zinc/13/68/68/568136868.db2.gz ATOVTEUZLWDHET-UHFFFAOYSA-N 0 3 356.420 3.839 20 30 FHEDHN CCOC(=O)c1[nH]c(C)c(C(=O)C(C#N)c2ccc3ccccc3n2)c1C ZINC000603835724 568159245 /nfs/dbraw/zinc/15/92/45/568159245.db2.gz MANCABPLLCHPQS-HNNXBMFYSA-N 0 3 361.401 3.847 20 30 FHEDHN CN(C)C(=O)[C@@H](Cc1ccccc1)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481898154 568174078 /nfs/dbraw/zinc/17/40/78/568174078.db2.gz AVOQZGPPDPORBU-FGZHOGPDSA-N 0 3 361.489 3.615 20 30 FHEDHN CS(=O)(=O)Cc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481915888 568182431 /nfs/dbraw/zinc/18/24/31/568182431.db2.gz FSNXOTDWAXPJNL-NRFANRHFSA-N 0 3 368.502 3.660 20 30 FHEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1 ZINC000024897878 568230167 /nfs/dbraw/zinc/23/01/67/568230167.db2.gz ROGMDXLVVQOQNB-UHFFFAOYSA-N 0 3 357.454 3.708 20 30 FHEDHN COc1cccc(C[C@H]2CCCN2CCC(=O)Nc2sccc2C#N)c1 ZINC000569025076 568275198 /nfs/dbraw/zinc/27/51/98/568275198.db2.gz PILQAYWOSQMNQJ-QGZVFWFLSA-N 0 3 369.490 3.664 20 30 FHEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000482140116 568288029 /nfs/dbraw/zinc/28/80/29/568288029.db2.gz QQNNKMGHQOQDKB-RRQGHBQHSA-N 0 3 361.486 3.669 20 30 FHEDHN CC(C)c1ccc(CN(C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000604468380 568297491 /nfs/dbraw/zinc/29/74/91/568297491.db2.gz WFPQIJDOFDZBKV-NRFANRHFSA-N 0 3 352.478 3.748 20 30 FHEDHN COc1cc(C#N)ccc1CN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569173769 568299542 /nfs/dbraw/zinc/29/95/42/568299542.db2.gz DIFJUDWHBBTOJN-QUCCMNQESA-N 0 3 373.859 3.894 20 30 FHEDHN C=CCOc1cccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000604765093 568361779 /nfs/dbraw/zinc/36/17/79/568361779.db2.gz ADDIWLDCAGJGHW-RBUKOAKNSA-N 0 3 365.395 3.876 20 30 FHEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CC(=O)N(c3ccc(Cl)c(F)c3)C1)CC2 ZINC000569974624 568445377 /nfs/dbraw/zinc/44/53/77/568445377.db2.gz VBVMTVPXKQQAGE-IFXJQAMLSA-N 0 3 369.827 3.733 20 30 FHEDHN N#Cc1cccc(COc2cccc(CN3CC[C@@H](n4cccn4)C3)c2)c1 ZINC000570375964 568481679 /nfs/dbraw/zinc/48/16/79/568481679.db2.gz OVNNDZDTBKZVEN-OAQYLSRUSA-N 0 3 358.445 3.781 20 30 FHEDHN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3ccc(C#N)cc31)[C@H]2C ZINC001164857958 720951949 /nfs/dbraw/zinc/95/19/49/720951949.db2.gz IMDUVKYAZSYVSU-INIZCTEOSA-N 0 3 374.492 3.724 20 30 FHEDHN C#Cc1cccc(N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000728536763 936365758 /nfs/dbraw/zinc/36/57/58/936365758.db2.gz AZJNYODLYRUIEE-LJQANCHMSA-N 0 3 350.437 3.682 20 30 FHEDHN N#CC(C(=O)CCCc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 ZINC000049486089 927097731 /nfs/dbraw/zinc/09/77/31/927097731.db2.gz PGIJSHGVEJVNNE-LJQANCHMSA-N 0 3 359.429 3.516 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CC[C@@H](C)c1ccccc1 ZINC000160178385 927105567 /nfs/dbraw/zinc/10/55/67/927105567.db2.gz OAKIRUHIDWMNOW-NVXWUHKLSA-N 0 3 350.418 3.926 20 30 FHEDHN CN(C)Cc1cccc(NC(=O)NCCSCc2ccccc2C#N)c1 ZINC000044277569 937152266 /nfs/dbraw/zinc/15/22/66/937152266.db2.gz ZAYPZSYOLBKYAE-UHFFFAOYSA-N 0 3 368.506 3.675 20 30 FHEDHN C[C@@]1(c2ccccc2)CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000510090159 928095962 /nfs/dbraw/zinc/09/59/62/928095962.db2.gz XQPUMTGSFIAMDD-HSZRJFAPSA-N 0 3 361.489 3.618 20 30 FHEDHN C/C(=C/c1ccc(F)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000254925092 928232818 /nfs/dbraw/zinc/23/28/18/928232818.db2.gz GLKTWJZGMPPMIQ-VKAVYKQESA-N 0 3 365.452 3.691 20 30 FHEDHN N#Cc1ccc(CN2CCCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000022850288 928398570 /nfs/dbraw/zinc/39/85/70/928398570.db2.gz WZYQNJYDIFLAGX-UHFFFAOYSA-N 0 3 369.896 3.798 20 30 FHEDHN CCN1CCN(c2ccc(N=Cc3cc(OC)ccc3O)c(C)c2)CC1 ZINC000254970158 928596611 /nfs/dbraw/zinc/59/66/11/928596611.db2.gz QJXCTECXBWCPJX-UHFFFAOYSA-N 0 3 353.466 3.602 20 30 FHEDHN CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000278157135 937278114 /nfs/dbraw/zinc/27/81/14/937278114.db2.gz AZCPBTCYPGLMMN-MGPUTAFESA-N 0 3 371.506 3.610 20 30 FHEDHN C[C@H](OC1CCCCCC1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000471198623 928910002 /nfs/dbraw/zinc/91/00/02/928910002.db2.gz GOFXSFQKUAEZFZ-SFHVURJKSA-N 0 3 371.525 3.576 20 30 FHEDHN C=CCOc1cccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000179787938 929024394 /nfs/dbraw/zinc/02/43/94/929024394.db2.gz ITMZJBJYZUDBLY-SFHVURJKSA-N 0 3 356.510 3.722 20 30 FHEDHN C=CCc1cc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc(OC)c1O ZINC000657747742 937311737 /nfs/dbraw/zinc/31/17/37/937311737.db2.gz RRMIBSMYHFBMNI-SFTDATJTSA-N 0 3 355.478 3.977 20 30 FHEDHN COc1cc(CN(C)[C@@H]2CCCOC2)ccc1OCc1cccc(C#N)c1 ZINC000510161437 929527767 /nfs/dbraw/zinc/52/77/67/929527767.db2.gz WQLDXDBAYDJZEP-HXUWFJFHSA-N 0 3 366.461 3.757 20 30 FHEDHN C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000187212577 929555662 /nfs/dbraw/zinc/55/56/62/929555662.db2.gz ZFTJKUHRBCSWFH-IIBYNOLFSA-N 0 3 367.518 3.599 20 30 FHEDHN C/C(=C/C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1cccc(F)c1 ZINC000255145771 929980290 /nfs/dbraw/zinc/98/02/90/929980290.db2.gz VDESQZIIPLEDMH-ATVHPVEESA-N 0 3 365.452 3.691 20 30 FHEDHN C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348819 930062025 /nfs/dbraw/zinc/06/20/25/930062025.db2.gz LETAOXLHCYJTCI-UWJYYQICSA-N 0 3 362.477 3.583 20 30 FHEDHN COC(=O)c1cc(CNCc2ccc(-c3ccccc3C#N)cc2)cn1C ZINC000583385619 937395633 /nfs/dbraw/zinc/39/56/33/937395633.db2.gz OBRMZEPPWHFFLS-UHFFFAOYSA-N 0 3 359.429 3.640 20 30 FHEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000074917255 930341305 /nfs/dbraw/zinc/34/13/05/930341305.db2.gz HJOSNYCOJUQUMO-MRXNPFEDSA-N 0 3 368.456 3.532 20 30 FHEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CC[C@@H](C)c2ccccc2)cc1 ZINC000160429828 930368010 /nfs/dbraw/zinc/36/80/10/930368010.db2.gz KRZQNQDVTUWRJB-OXQOHEQNSA-N 0 3 364.445 3.604 20 30 FHEDHN N#CC(C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc2ccccc2[nH]1 ZINC000050205023 930610288 /nfs/dbraw/zinc/61/02/88/930610288.db2.gz PKOYTGROAIPEKZ-ZDUSSCGKSA-N 0 3 361.792 3.892 20 30 FHEDHN C[C@@H]1OCC[C@]1(O)CN(CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000684108576 931336018 /nfs/dbraw/zinc/33/60/18/931336018.db2.gz GOIGWTFZJGWZLE-AVRDEDQJSA-N 0 3 369.892 3.734 20 30 FHEDHN CC[C@@H](C)N[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccco1 ZINC000581032646 931478308 /nfs/dbraw/zinc/47/83/08/931478308.db2.gz ZLOWJJZGSBDCME-RDTXWAMCSA-N 0 3 369.440 3.568 20 30 FHEDHN C[C@@H]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000610476896 931556741 /nfs/dbraw/zinc/55/67/41/931556741.db2.gz RIQLSHZQUMXVLU-CNDZOEFASA-N 0 3 368.452 3.715 20 30 FHEDHN C=CCOc1ccc(CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000121365892 932053257 /nfs/dbraw/zinc/05/32/57/932053257.db2.gz YZPFTEUYIVSSSX-UHFFFAOYSA-N 0 3 366.461 3.808 20 30 FHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133641 932362514 /nfs/dbraw/zinc/36/25/14/932362514.db2.gz MHISSABTTLGMJM-UGGKCQTMSA-N 0 3 371.525 3.529 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCc2ccc(C)s2)c1 ZINC000176018053 932475666 /nfs/dbraw/zinc/47/56/66/932475666.db2.gz ZLLKXZISUHFUPT-KRWDZBQOSA-N 0 3 356.447 3.735 20 30 FHEDHN Cc1nc(C(C#N)C(=O)Nc2nnc(-c3ccccc3)s2)sc1C ZINC000155659846 932598194 /nfs/dbraw/zinc/59/81/94/932598194.db2.gz TVLKAAUHSARESG-GFCCVEGCSA-N 0 3 355.448 3.524 20 30 FHEDHN Cc1nc(C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000155657931 932599056 /nfs/dbraw/zinc/59/90/56/932599056.db2.gz NHAHXNJLTGNIMD-JTQLQIEISA-N 0 3 350.787 3.567 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000548358304 933083491 /nfs/dbraw/zinc/08/34/91/933083491.db2.gz UPCWAUKCZAAWDD-UTKZUKDTSA-N 0 3 359.473 3.542 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000548358301 933083865 /nfs/dbraw/zinc/08/38/65/933083865.db2.gz UPCWAUKCZAAWDD-DYESRHJHSA-N 0 3 359.473 3.542 20 30 FHEDHN COC(=O)c1ccc(COc2ccccc2CNCC2(CC#N)CC2)cc1 ZINC000430771446 933224556 /nfs/dbraw/zinc/22/45/56/933224556.db2.gz DIFNWZUIZWEOMS-UHFFFAOYSA-N 0 3 364.445 3.836 20 30 FHEDHN C=CCN1CCC(NC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)CC1 ZINC000276814093 933560451 /nfs/dbraw/zinc/56/04/51/933560451.db2.gz ABRMBUFLJFZQSY-UHFFFAOYSA-N 0 3 366.509 3.685 20 30 FHEDHN C=CCOc1ccccc1CN1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000091687598 933567467 /nfs/dbraw/zinc/56/74/67/933567467.db2.gz GDRKSTGFSTUPKB-UHFFFAOYSA-N 0 3 365.477 3.806 20 30 FHEDHN C[C@H]1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)CN1Cc1ccccc1 ZINC000610714390 933891595 /nfs/dbraw/zinc/89/15/95/933891595.db2.gz MQKONVMEDUZDEO-PXNSSMCTSA-N 0 3 372.472 3.558 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000561764167 934105570 /nfs/dbraw/zinc/10/55/70/934105570.db2.gz GNJSOYXTAFGOQH-PMUMKWKESA-N 0 3 367.518 3.884 20 30 FHEDHN Cc1ccc(CNC(=O)C2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000187664860 934132863 /nfs/dbraw/zinc/13/28/63/934132863.db2.gz CFHBAGPELWGKIH-GOSISDBHSA-N 0 3 361.489 3.956 20 30 FHEDHN CC(C)[C@H](C)NC(=O)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000092754734 934165949 /nfs/dbraw/zinc/16/59/49/934165949.db2.gz QPFSMTZBVXMPJF-SFHVURJKSA-N 0 3 371.525 3.742 20 30 FHEDHN C[C@H](O)CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000535798249 934392384 /nfs/dbraw/zinc/39/23/84/934392384.db2.gz NTYOYTRZOPENCX-IBGZPJMESA-N 0 3 374.488 3.847 20 30 FHEDHN Cc1cc(C)cc(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000610919572 934625264 /nfs/dbraw/zinc/62/52/64/934625264.db2.gz OVXLREYXXKLOKF-UHFFFAOYSA-N 0 3 363.505 3.698 20 30 FHEDHN CN(C)[C@@H](C/N=C\c1ccc(O)c(O)c1O)c1cccc(C(F)(F)F)c1 ZINC000588480341 934641110 /nfs/dbraw/zinc/64/11/10/934641110.db2.gz LTDOMIGXMKRXMC-ZOTMMLKWSA-N 0 3 368.355 3.544 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NC2(C(C)(C)c3ccccc3)CC2)CC1 ZINC000458318289 934678148 /nfs/dbraw/zinc/67/81/48/934678148.db2.gz JBBFUAYQGVZGOA-UHFFFAOYSA-N 0 3 355.526 3.837 20 30 FHEDHN N#Cc1cc(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccn1 ZINC000610992045 934727146 /nfs/dbraw/zinc/72/71/46/934727146.db2.gz RPKBBIIROGXGCO-UHFFFAOYSA-N 0 3 374.410 3.680 20 30 FHEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCCOc1cccc(C#N)c1 ZINC000156625169 934813684 /nfs/dbraw/zinc/81/36/84/934813684.db2.gz ZXLALBMFPWKGHU-PUAOIOHZSA-N 0 3 356.491 3.758 20 30 FHEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000119619952 934928050 /nfs/dbraw/zinc/92/80/50/934928050.db2.gz HQAQEFOMRZUJJO-PWSUYJOCSA-N 0 3 355.221 3.622 20 30 FHEDHN Cc1cccc(CN(CCN(C)C)C(=S)Nc2ccccc2C#N)c1 ZINC000728450107 934996347 /nfs/dbraw/zinc/99/63/47/934996347.db2.gz VPSNNRCULUSPGD-UHFFFAOYSA-N 0 3 352.507 3.627 20 30 FHEDHN C=CCc1ccc(OC[C@@H](O)CN(C)[C@H](C)c2cccs2)c(OC)c1 ZINC000053429807 935064800 /nfs/dbraw/zinc/06/48/00/935064800.db2.gz MZEUDGOGPNTZEF-WBVHZDCISA-N 0 3 361.507 3.918 20 30 FHEDHN CCN1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000091173477 935452385 /nfs/dbraw/zinc/45/23/85/935452385.db2.gz UDRFHOBADXOEJS-UHFFFAOYSA-N 0 3 364.449 3.910 20 30 FHEDHN C=CCN(Cc1ccccc1F)C(=O)NCCN(C)Cc1ccccc1 ZINC000065540668 935551847 /nfs/dbraw/zinc/55/18/47/935551847.db2.gz BEAHVWPWCCYXCA-UHFFFAOYSA-N 0 3 355.457 3.655 20 30 FHEDHN COc1ccc([C@H](C/N=C\c2cccc(OC)c2O)N2CCCC2)cc1 ZINC000255507694 935646221 /nfs/dbraw/zinc/64/62/21/935646221.db2.gz BKUNBEOFGRTATG-MAGMUUGSSA-N 0 3 354.450 3.665 20 30 FHEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000097036587 935770596 /nfs/dbraw/zinc/77/05/96/935770596.db2.gz AIFOJBUPZNBCPQ-IBGZPJMESA-N 0 3 352.413 3.656 20 30 FHEDHN Cc1csc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1Cl ZINC000479910859 935917068 /nfs/dbraw/zinc/91/70/68/935917068.db2.gz GESYYTVYRPCBMZ-UHFFFAOYSA-N 0 3 361.898 3.786 20 30 FHEDHN C=CCOc1ccc(CNCc2ccc(CNC(C)=O)cc2)cc1Cl ZINC000657541473 935990127 /nfs/dbraw/zinc/99/01/27/935990127.db2.gz PIUKQVIGTBBIDJ-UHFFFAOYSA-N 0 3 358.869 3.831 20 30 FHEDHN N#CC(CCN1CC[C@H](N2CCCC2=O)C1)(c1ccccc1)c1ccccc1 ZINC000277876019 936074877 /nfs/dbraw/zinc/07/48/77/936074877.db2.gz YUJYALPAGJCPFG-QFIPXVFZSA-N 0 3 373.500 3.583 20 30 FHEDHN N#CC(CCN1CC[C@@H](N2CCCC2=O)C1)(c1ccccc1)c1ccccc1 ZINC000277876013 936074901 /nfs/dbraw/zinc/07/49/01/936074901.db2.gz YUJYALPAGJCPFG-JOCHJYFZSA-N 0 3 373.500 3.583 20 30 FHEDHN N#CC(C(=O)c1cccc2cccc(Br)c21)c1ccncn1 ZINC000560579302 936082300 /nfs/dbraw/zinc/08/23/00/936082300.db2.gz FEVZARLENLSYCW-ZDUSSCGKSA-N 0 3 352.191 3.882 20 30 FHEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000046529352 936129009 /nfs/dbraw/zinc/12/90/09/936129009.db2.gz GUKODSILIRJVGI-OAHLLOKOSA-N 0 3 365.260 3.737 20 30 FHEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(Br)c1O ZINC000078878068 936301014 /nfs/dbraw/zinc/30/10/14/936301014.db2.gz RELPBHORAXPBIG-LLVKDONJSA-N 0 3 361.239 3.886 20 30 FHEDHN CC1CCC(N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)CC1 ZINC000438851490 945155455 /nfs/dbraw/zinc/15/54/55/945155455.db2.gz YFBFYYFUPUJQGU-DQVLVPHSSA-N 0 3 368.525 3.937 20 30 FHEDHN C=CCCn1cc(CN[C@@H](CC)Cc2ccc(Br)cc2)nn1 ZINC000657783928 938364833 /nfs/dbraw/zinc/36/48/33/938364833.db2.gz YLRPQEKBWLPOMD-INIZCTEOSA-N 0 3 363.303 3.728 20 30 FHEDHN CC1CCN([C@@H](CNC(=O)Nc2cccc(C#N)n2)c2cccs2)CC1 ZINC000583751639 938390607 /nfs/dbraw/zinc/39/06/07/938390607.db2.gz MSHPGGLFYZJPRQ-INIZCTEOSA-N 0 3 369.494 3.609 20 30 FHEDHN C[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807503 938614767 /nfs/dbraw/zinc/61/47/67/938614767.db2.gz VQQZMZIZZJLIBT-IERDGZPVSA-N 0 3 362.477 3.680 20 30 FHEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccccc2C#N)CC1 ZINC000179085113 938801858 /nfs/dbraw/zinc/80/18/58/938801858.db2.gz HFCBRFRTCYWRNS-KRWDZBQOSA-N 0 3 366.484 3.690 20 30 FHEDHN Cc1ccc(C(=O)NC2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000118395395 938821885 /nfs/dbraw/zinc/82/18/85/938821885.db2.gz XVHOLZRNAZJONH-HNNXBMFYSA-N 0 3 353.491 3.884 20 30 FHEDHN CCc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000278767772 938846073 /nfs/dbraw/zinc/84/60/73/938846073.db2.gz YBYZXRQJOQKNCX-UHFFFAOYSA-N 0 3 351.479 3.772 20 30 FHEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000171715148 938988285 /nfs/dbraw/zinc/98/82/85/938988285.db2.gz FDQNQBOSDYIREW-LSDHHAIUSA-N 0 3 353.293 3.864 20 30 FHEDHN C=C(C)CNC(=S)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000065704429 938992614 /nfs/dbraw/zinc/99/26/14/938992614.db2.gz BQCBTZRSUAXOIR-UHFFFAOYSA-N 0 3 359.461 3.520 20 30 FHEDHN C[C@@H](CCSc1ccccc1)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000431601215 938995003 /nfs/dbraw/zinc/99/50/03/938995003.db2.gz BSYVVQPDUKNVOQ-KRWDZBQOSA-N 0 3 352.507 3.646 20 30 FHEDHN N#CC(C(=O)c1ccc(NC(=O)C2CC2)cc1)c1nc(C2CC2)cs1 ZINC000647372652 939066043 /nfs/dbraw/zinc/06/60/43/939066043.db2.gz RAJRLXYBLGJCMY-OAHLLOKOSA-N 0 3 351.431 3.859 20 30 FHEDHN CC1CCN([C@@H](CNC(=O)N2CCC[C@](C)(C#N)C2)c2ccccc2)CC1 ZINC000612114434 939078991 /nfs/dbraw/zinc/07/89/91/939078991.db2.gz FZEVWOAWDQQYIE-RBBKRZOGSA-N 0 3 368.525 3.795 20 30 FHEDHN C=C[C@H](CC(=O)N(C)CCCN(C)Cc1ccncc1)c1ccccc1 ZINC000518247134 945242987 /nfs/dbraw/zinc/24/29/87/945242987.db2.gz MKYXOFRRAYDEPD-HXUWFJFHSA-N 0 3 351.494 3.722 20 30 FHEDHN C[C@H](NC(=O)N1CCN2CCC1CC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518238357 945249270 /nfs/dbraw/zinc/24/92/70/945249270.db2.gz UPIYBXYZYCBSOM-KRWDZBQOSA-N 0 3 374.488 3.776 20 30 FHEDHN N#CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000065858077 939989125 /nfs/dbraw/zinc/98/91/25/939989125.db2.gz ODFZSOQXHPWORX-GOSISDBHSA-N 0 3 351.425 3.742 20 30 FHEDHN N#Cc1ccc(CN2CCC(N[C@H]3COc4cc(F)cc(F)c43)CC2)cc1 ZINC000612403954 940049112 /nfs/dbraw/zinc/04/91/12/940049112.db2.gz DSQFYPGRNDMVDM-IBGZPJMESA-N 0 3 369.415 3.524 20 30 FHEDHN COc1ccc(CN2CCC(n3ccc(C)n3)CC2)cc1OCCCC#N ZINC000375922169 940066235 /nfs/dbraw/zinc/06/62/35/940066235.db2.gz UWNCYNVVOJZXDZ-UHFFFAOYSA-N 0 3 368.481 3.720 20 30 FHEDHN Cc1nc(C(C)C)ncc1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892499196 940090908 /nfs/dbraw/zinc/09/09/08/940090908.db2.gz UAGLVRHJWPUCFH-LBPRGKRZSA-N 0 3 374.803 3.662 20 30 FHEDHN C=CCc1ccc(OC[C@H](O)CNCc2cc3ccccc3o2)c(OC)c1 ZINC000548949832 940191283 /nfs/dbraw/zinc/19/12/83/940191283.db2.gz DMBGPTCVXGALSJ-GOSISDBHSA-N 0 3 367.445 3.699 20 30 FHEDHN C=C[C@H]1CCCCN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472456078 940208685 /nfs/dbraw/zinc/20/86/85/940208685.db2.gz NGIQSDNROLBKNU-PCKAHOCUSA-N 0 3 359.436 3.542 20 30 FHEDHN C=CCOc1ccc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)cc1Cl ZINC000431713106 940379530 /nfs/dbraw/zinc/37/95/30/940379530.db2.gz RRXYHLKYWRNWDE-PKOBYXMFSA-N 0 3 361.873 3.567 20 30 FHEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000548973981 940395153 /nfs/dbraw/zinc/39/51/53/940395153.db2.gz GBFNOHOGNQMOLH-KRWDZBQOSA-N 0 3 372.856 3.645 20 30 FHEDHN C[C@H](Cn1cc(Br)ccc1=O)N[C@H](CCC#N)c1ccccc1 ZINC000414096238 940498732 /nfs/dbraw/zinc/49/87/32/940498732.db2.gz ICHVEPSJJBWZCW-RHSMWYFYSA-N 0 3 374.282 3.634 20 30 FHEDHN C=C(C)[C@@H](NC[C@@H](O)COCc1cccs1)c1ccc(F)c(F)c1 ZINC000187791604 940730461 /nfs/dbraw/zinc/73/04/61/940730461.db2.gz ZXMMXIXZMNOSRL-RDTXWAMCSA-N 0 3 353.434 3.811 20 30 FHEDHN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124912934 945353675 /nfs/dbraw/zinc/35/36/75/945353675.db2.gz LQENPGCDBPRXHQ-JQWIXIFHSA-N 0 3 371.289 3.805 20 30 FHEDHN C=CCc1ccc(NC(=O)C(C)(C)C)c(-n2nc(CN)c3ccccc32)n1 ZINC001167696239 940904855 /nfs/dbraw/zinc/90/48/55/940904855.db2.gz BXDOTSYQBYQRGR-UHFFFAOYSA-N 0 3 363.465 3.592 20 30 FHEDHN COc1ccc([C@@H](C)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000180277012 940910283 /nfs/dbraw/zinc/91/02/83/940910283.db2.gz MUHQEMAZAAMYIA-CQSZACIVSA-N 0 3 364.424 3.957 20 30 FHEDHN C=CCN1CCC(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000170949092 940927749 /nfs/dbraw/zinc/92/77/49/940927749.db2.gz YSRMWXPUIZSCLX-ZDUSSCGKSA-N 0 3 355.309 3.939 20 30 FHEDHN CN1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000180661275 941060171 /nfs/dbraw/zinc/06/01/71/941060171.db2.gz ALWZXBPAZOVBQE-UHFFFAOYSA-N 0 3 350.422 3.520 20 30 FHEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H](CC2CCC2)c2ccccc2)c1 ZINC000181354526 941132162 /nfs/dbraw/zinc/13/21/62/941132162.db2.gz LCSLRCKEARIBNW-OAQYLSRUSA-N 0 3 368.502 3.853 20 30 FHEDHN C=CCCN(OCc1ccccc1)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000782966866 941349949 /nfs/dbraw/zinc/34/99/49/941349949.db2.gz LGJJHPVSMVEFOS-UHFFFAOYSA-N 0 3 357.498 3.746 20 30 FHEDHN CS[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000414904083 941509366 /nfs/dbraw/zinc/50/93/66/941509366.db2.gz LAQSYVLEAKZORG-HXUWFJFHSA-N 0 3 367.518 3.553 20 30 FHEDHN C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H](C)CN1 ZINC000415006104 941541817 /nfs/dbraw/zinc/54/18/17/941541817.db2.gz JYUJUZGMRDBOQJ-CABCVRRESA-N 0 3 350.422 3.565 20 30 FHEDHN C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H](C)CN1 ZINC000415033196 941556510 /nfs/dbraw/zinc/55/65/10/941556510.db2.gz GSLKNXAXBQSOCX-CABCVRRESA-N 0 3 350.422 3.565 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2cccnc2-c2csc(C)c2)CC1 ZINC000189182953 941570970 /nfs/dbraw/zinc/57/09/70/941570970.db2.gz SLBKHOIAXVVCPE-UHFFFAOYSA-N 0 3 356.495 3.890 20 30 FHEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CSC(C)(C)C ZINC000128326184 941622736 /nfs/dbraw/zinc/62/27/36/941622736.db2.gz UKIBSWMWTJECNT-LLVKDONJSA-N 0 3 368.886 3.836 20 30 FHEDHN C=CCOc1ccccc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000513225517 941797304 /nfs/dbraw/zinc/79/73/04/941797304.db2.gz BEPCBTSYFBLYNP-LJQANCHMSA-N 0 3 350.462 3.646 20 30 FHEDHN C=C[C@H](CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1 ZINC000533930642 942146329 /nfs/dbraw/zinc/14/63/29/942146329.db2.gz UNJKWOYTMNVJFU-LJQANCHMSA-N 0 3 364.489 3.942 20 30 FHEDHN N#Cc1ccsc1NC(=O)CCN1CCC(Sc2ccccn2)CC1 ZINC000378010120 942163323 /nfs/dbraw/zinc/16/33/23/942163323.db2.gz STFYMJANSSPVFF-UHFFFAOYSA-N 0 3 372.519 3.600 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COc2ccc(CC)cc2)cc1 ZINC000128383233 942214633 /nfs/dbraw/zinc/21/46/33/942214633.db2.gz VWLMFESAYJZYBS-IBGZPJMESA-N 0 3 350.418 3.538 20 30 FHEDHN COc1cc(C#N)ccc1CN(CCCO)[C@H]1CCCc2ccccc21 ZINC000501208877 942352799 /nfs/dbraw/zinc/35/27/99/942352799.db2.gz LOVJGXGPIDHQIG-NRFANRHFSA-N 0 3 350.462 3.829 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc2cccc(F)c2o1 ZINC000122895439 942454536 /nfs/dbraw/zinc/45/45/36/942454536.db2.gz JVNKOTIVRLGJCZ-CYBMUJFWSA-N 0 3 366.348 3.932 20 30 FHEDHN N#Cc1ccc(NC2CC2)c(NC(=O)CCN2CCc3ccccc3C2)c1 ZINC000416224584 942501105 /nfs/dbraw/zinc/50/11/05/942501105.db2.gz JGIMNQDCBFJFGM-UHFFFAOYSA-N 0 3 360.461 3.519 20 30 FHEDHN C[C@@H]1CN(Cc2ccc(CNCc3ccc(C#N)c(F)c3)cc2)C[C@@H](C)O1 ZINC000421334829 942508301 /nfs/dbraw/zinc/50/83/01/942508301.db2.gz QUGYYKBJSGSFPQ-IAGOWNOFSA-N 0 3 367.468 3.596 20 30 FHEDHN COc1ccc(C#N)cc1CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502604023 942576543 /nfs/dbraw/zinc/57/65/43/942576543.db2.gz YLVFXBZWIWWMFT-HXUWFJFHSA-N 0 3 356.853 3.712 20 30 FHEDHN CCN1CCN(c2cccc(NC(=O)c3cc(C)c(C#N)c(C)c3)c2)CC1 ZINC001269787930 942687313 /nfs/dbraw/zinc/68/73/13/942687313.db2.gz REPURNXLTFVTEI-UHFFFAOYSA-N 0 3 362.477 3.569 20 30 FHEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)CC(C)C ZINC000514112882 942753669 /nfs/dbraw/zinc/75/36/69/942753669.db2.gz KWIYWYYZAASUCA-UHFFFAOYSA-N 0 3 366.509 3.941 20 30 FHEDHN Cc1ccccc1C[C@@H]1CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000514185650 942794463 /nfs/dbraw/zinc/79/44/63/942794463.db2.gz JIEGZARAXNGJDE-FQEVSTJZSA-N 0 3 353.510 3.687 20 30 FHEDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000421924903 942893794 /nfs/dbraw/zinc/89/37/94/942893794.db2.gz OQSBJYSLVNOFRL-QRQLOZEOSA-N 0 3 370.493 3.728 20 30 FHEDHN CC[C@@H]1CN(c2ccccc2)CCN1CCC(=O)Nc1sccc1C#N ZINC000184006074 942955480 /nfs/dbraw/zinc/95/54/80/942955480.db2.gz YJLRALXCGXPOFH-QGZVFWFLSA-N 0 3 368.506 3.549 20 30 FHEDHN C[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc2c(c1)CCCC2 ZINC000434861601 943013927 /nfs/dbraw/zinc/01/39/27/943013927.db2.gz ARUKIAGEQHMORQ-LIRRHRJNSA-N 0 3 365.502 3.955 20 30 FHEDHN CC[C@H]1Oc2cc([C@H](C)NCc3ccc(OCC#N)cc3)ccc2NC1=O ZINC000271702655 943037506 /nfs/dbraw/zinc/03/75/06/943037506.db2.gz HVGICGBVNQKULK-IFXJQAMLSA-N 0 3 365.433 3.549 20 30 FHEDHN C[C@]1(CCc2ccccc2)CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000434902161 943038503 /nfs/dbraw/zinc/03/85/03/943038503.db2.gz AXYLUFCCVVRVOZ-QHCPKHFHSA-N 0 3 361.489 3.519 20 30 FHEDHN C=CCOc1c(Cl)cc(CN2CC[C@H](O)C23CCCC3)cc1OC ZINC000628294269 943053791 /nfs/dbraw/zinc/05/37/91/943053791.db2.gz LGSNHOZTRITNJU-KRWDZBQOSA-N 0 3 351.874 3.793 20 30 FHEDHN CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000271978917 943077852 /nfs/dbraw/zinc/07/78/52/943077852.db2.gz FJWVFLQKASMALY-NRFANRHFSA-N 0 3 359.473 3.588 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)CC1 ZINC000434191912 943112372 /nfs/dbraw/zinc/11/23/72/943112372.db2.gz RTMBDSQYCMNWGR-JOCHJYFZSA-N 0 3 355.526 3.709 20 30 FHEDHN C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1=CCN(C)CC1 ZINC000272639796 943191126 /nfs/dbraw/zinc/19/11/26/943191126.db2.gz CCAVTOLTKKLHMS-LSDHHAIUSA-N 0 3 358.511 3.853 20 30 FHEDHN Cc1csc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1C#N ZINC000514735861 943249960 /nfs/dbraw/zinc/24/99/60/943249960.db2.gz HJMCTVGRBSYVHV-UHFFFAOYSA-N 0 3 360.458 3.663 20 30 FHEDHN C[C@@H]1CCCC[C@@H]1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001167740387 943261817 /nfs/dbraw/zinc/26/18/17/943261817.db2.gz KZEYZPUFUSLSKS-HZPDHXFCSA-N 0 3 354.454 3.755 20 30 FHEDHN C=CC[C@@H](C)C(=O)N1CCC[C@]2(CCCN(Cc3scnc3C)C2)C1 ZINC001269961533 943415245 /nfs/dbraw/zinc/41/52/45/943415245.db2.gz ZHYRRXBLXKZVBU-UZLBHIALSA-N 0 3 361.555 3.868 20 30 FHEDHN CC(C)[C@@H](CNC(=O)Nc1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000515170185 943534978 /nfs/dbraw/zinc/53/49/78/943534978.db2.gz UIRMBDXWCGWJHG-OAQYLSRUSA-N 0 3 362.477 3.763 20 30 FHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000435725645 943582180 /nfs/dbraw/zinc/58/21/80/943582180.db2.gz HUXIBFRBIPBNOX-YVEFUNNKSA-N 0 3 367.280 3.645 20 30 FHEDHN Cc1c(F)c(F)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000417546383 943686997 /nfs/dbraw/zinc/68/69/97/943686997.db2.gz ZGZLBZZFTUAYMJ-UHFFFAOYSA-N 0 3 372.419 3.741 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000424111050 943736259 /nfs/dbraw/zinc/73/62/59/943736259.db2.gz FLJGSSRNKJIGAK-HNNXBMFYSA-N 0 3 372.469 3.710 20 30 FHEDHN CC(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424110975 943737139 /nfs/dbraw/zinc/73/71/39/943737139.db2.gz DZIDCVHNEWFSAM-JKSUJKDBSA-N 0 3 355.404 3.930 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000424113224 943737699 /nfs/dbraw/zinc/73/76/99/943737699.db2.gz MNJPUPHLXSBBSN-OALUTQOASA-N 0 3 361.917 3.969 20 30 FHEDHN COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424117037 943740372 /nfs/dbraw/zinc/74/03/72/943740372.db2.gz CFGQZQLJZWXYAD-KXBFYZLASA-N 0 3 351.450 3.561 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000424183901 943765001 /nfs/dbraw/zinc/76/50/01/943765001.db2.gz CVKPDUBLEIVITC-CQSZACIVSA-N 0 3 373.806 3.528 20 30 FHEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)nn1 ZINC000424290963 943822439 /nfs/dbraw/zinc/82/24/39/943822439.db2.gz CWRBVIFBRBEIFJ-SJORKVTESA-N 0 3 350.388 3.909 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)CC1 ZINC000437732313 944076834 /nfs/dbraw/zinc/07/68/34/944076834.db2.gz DSSAAORLVSZNNV-WOJBJXKFSA-N 0 3 365.562 3.700 20 30 FHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425489598 944108553 /nfs/dbraw/zinc/10/85/53/944108553.db2.gz NZOIWUSWMBBIJV-MSOLQXFVSA-N 0 3 364.493 3.781 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506148470 944185089 /nfs/dbraw/zinc/18/50/89/944185089.db2.gz LFBLBQIUMHBYIF-UHFFFAOYSA-N 0 3 373.541 3.703 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000436312994 944192197 /nfs/dbraw/zinc/19/21/97/944192197.db2.gz LCHQDXCLRJWLFP-RFUYNDQBSA-N 0 3 360.889 3.861 20 30 FHEDHN CCNC(=O)[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)C(C)C ZINC000550194412 944392594 /nfs/dbraw/zinc/39/25/94/944392594.db2.gz RNDKUBYGRFODST-NRFANRHFSA-N 0 3 363.505 3.637 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000049795289 944437334 /nfs/dbraw/zinc/43/73/34/944437334.db2.gz PBABJMLEYYDMLE-SFHVURJKSA-N 0 3 357.523 3.619 20 30 FHEDHN C=CCN1CCC(NC(=O)c2cc3ccccc3n2CC(F)(F)F)CC1 ZINC000426351235 944530789 /nfs/dbraw/zinc/53/07/89/944530789.db2.gz KBTFRWXFUISRJB-UHFFFAOYSA-N 0 3 365.399 3.584 20 30 FHEDHN Cn1cc([C@@H](NCCCSCC#N)c2ccc(F)c(Cl)c2)cn1 ZINC000364440357 944713472 /nfs/dbraw/zinc/71/34/72/944713472.db2.gz HSIPUWTZCGEYRD-INIZCTEOSA-N 0 3 352.866 3.538 20 30 FHEDHN C[C@@H](c1ccncc1)N1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1 ZINC000584586915 944793855 /nfs/dbraw/zinc/79/38/55/944793855.db2.gz OUNRVVHIDYWBLQ-INIZCTEOSA-N 0 3 361.493 3.865 20 30 FHEDHN CCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000140367254 944846642 /nfs/dbraw/zinc/84/66/42/944846642.db2.gz CPETWJQCCVYKSS-SNVBAGLBSA-N 0 3 365.817 3.768 20 30 FHEDHN C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000505917551 944887839 /nfs/dbraw/zinc/88/78/39/944887839.db2.gz RPVCFXUEHDUEMC-CZUORRHYSA-N 0 3 353.388 3.651 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC000517984052 944907193 /nfs/dbraw/zinc/90/71/93/944907193.db2.gz SZBHBTSWHAELRS-UHFFFAOYSA-N 0 3 366.509 3.766 20 30 FHEDHN CC[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(C)cc1 ZINC000181697901 945371161 /nfs/dbraw/zinc/37/11/61/945371161.db2.gz KGOTVKXQWRKFGC-FQEVSTJZSA-N 0 3 373.460 3.732 20 30 FHEDHN CC(C)C[C@H]1OCCC[C@H]1NCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000330162619 945382379 /nfs/dbraw/zinc/38/23/79/945382379.db2.gz SJGJUZWSKWEZRX-SJLPKXTDSA-N 0 3 362.470 3.619 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2c(C)c(C)sc2Br)CC1 ZINC000507644829 945414460 /nfs/dbraw/zinc/41/44/60/945414460.db2.gz PHQRWDZFGDIAKB-UHFFFAOYSA-N 0 3 371.344 3.898 20 30 FHEDHN Cc1ccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)c(Br)c1 ZINC000330273602 945439127 /nfs/dbraw/zinc/43/91/27/945439127.db2.gz ZLIINNDGHKPWDX-IUIKQTSFSA-N 0 3 367.287 3.891 20 30 FHEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000330309825 945510953 /nfs/dbraw/zinc/51/09/53/945510953.db2.gz MZGRADCMHFTVPF-SKDRFNHKSA-N 0 3 350.875 3.579 20 30 FHEDHN Cc1nc2c(n1[C@H]1CCN(CC(=O)NC3(C#N)CCCCC3)C1)CCCC2 ZINC000330317811 945540868 /nfs/dbraw/zinc/54/08/68/945540868.db2.gz BXAUVGPSINOIIA-KRWDZBQOSA-N 0 3 369.513 3.500 20 30 FHEDHN C[C@H](C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1)N1CCCCCC1 ZINC000330329691 945568916 /nfs/dbraw/zinc/56/89/16/945568916.db2.gz MTXWCGYPCJTUDE-ZIAGYGMSSA-N 0 3 372.435 3.685 20 30 FHEDHN Cc1nsc(N2CCN(c3c(C)cnc4c(C)cccc43)CC2)c1C#N ZINC000519676957 945628183 /nfs/dbraw/zinc/62/81/83/945628183.db2.gz PLZXHDWLNYUXRC-UHFFFAOYSA-N 0 3 363.490 3.815 20 30 FHEDHN N#CC(C(=O)CSc1ccc2ccccc2c1)C(=O)Nc1ccccn1 ZINC000125176229 945667598 /nfs/dbraw/zinc/66/75/98/945667598.db2.gz HSSMYFTZGJDYCO-KRWDZBQOSA-N 0 3 361.426 3.674 20 30 FHEDHN CCC(CC)[C@H](C(=O)C(C#N)c1nc(C(C)C)cs1)N1CCOCC1 ZINC000125193108 945680543 /nfs/dbraw/zinc/68/05/43/945680543.db2.gz SKYVWOPBOYFJJY-NVXWUHKLSA-N 0 3 363.527 3.580 20 30 FHEDHN CCCOc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000044566585 945751326 /nfs/dbraw/zinc/75/13/26/945751326.db2.gz PTTDTJWODCUTQO-UHFFFAOYSA-N 0 3 365.477 3.551 20 30 FHEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000188092690 945955460 /nfs/dbraw/zinc/95/54/60/945955460.db2.gz HANRXTNHYYBORR-CQSZACIVSA-N 0 3 369.431 3.759 20 30 FHEDHN Cc1ccc([C@@H]2CSCCN2CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000444163686 946007116 /nfs/dbraw/zinc/00/71/16/946007116.db2.gz YREPCBHVWOKNRW-FQEVSTJZSA-N 0 3 365.502 3.985 20 30 FHEDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475111801 946423111 /nfs/dbraw/zinc/42/31/11/946423111.db2.gz VNWNSWGFSGAUSF-UHFFFAOYSA-N 0 3 367.468 3.831 20 30 FHEDHN C=CCOc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1OC ZINC000441359771 946482086 /nfs/dbraw/zinc/48/20/86/946482086.db2.gz RGQUKIJZVGBIIP-JOCHJYFZSA-N 0 3 353.462 3.574 20 30 FHEDHN Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000441369916 946520847 /nfs/dbraw/zinc/52/08/47/946520847.db2.gz GEGMHDCTILCLNF-WOJBJXKFSA-N 0 3 353.510 3.906 20 30 FHEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C(C)(C)C#N)cc2)o1 ZINC000475310075 946864419 /nfs/dbraw/zinc/86/44/19/946864419.db2.gz BWFCDQZNADCIKB-UHFFFAOYSA-N 0 3 353.466 3.593 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCOc2cccc(C)c2)c1 ZINC000127117606 946940460 /nfs/dbraw/zinc/94/04/60/946940460.db2.gz UUDRYAFQUOVBOQ-LJQANCHMSA-N 0 3 366.417 3.510 20 30 FHEDHN CC(C)N(CCN(C)C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000151813656 947198088 /nfs/dbraw/zinc/19/80/88/947198088.db2.gz KVDBVJHUFFACJN-UHFFFAOYSA-N 0 3 365.477 3.549 20 30 FHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccnc(OCc2ccccc2)c1 ZINC000121292828 947290373 /nfs/dbraw/zinc/29/03/73/947290373.db2.gz KWXSUCDZOVAARI-LJQANCHMSA-N 0 3 371.396 3.622 20 30 FHEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cc(F)c(Br)cc1F ZINC000599542442 947374479 /nfs/dbraw/zinc/37/44/79/947374479.db2.gz SXWJPYVFZCUJMK-NXEZZACHSA-N 0 3 361.230 3.679 20 30 FHEDHN CCN(C(=O)Nc1cccc(C#N)c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184573744 947659847 /nfs/dbraw/zinc/65/98/47/947659847.db2.gz NKPHDZRKJXVGIG-HXUWFJFHSA-N 0 3 362.477 3.995 20 30 FHEDHN Cc1cc(C#N)cc(C)c1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001126244305 947844467 /nfs/dbraw/zinc/84/44/67/947844467.db2.gz QTNMIFOPKLRZQE-IBGZPJMESA-N 0 3 361.489 3.912 20 30 FHEDHN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000441486031 947968224 /nfs/dbraw/zinc/96/82/24/947968224.db2.gz MIEJUPANPYMPPJ-QRQLOZEOSA-N 0 3 366.465 3.634 20 30 FHEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2Br)[C@H]1c1ccccc1 ZINC000585717089 948232245 /nfs/dbraw/zinc/23/22/45/948232245.db2.gz MZJLKFFUKREOQO-RTBURBONSA-N 0 3 370.294 3.856 20 30 FHEDHN CN(C)Cc1cnc(CNC2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000512071139 948357818 /nfs/dbraw/zinc/35/78/18/948357818.db2.gz IFPSFRXGCKNGLK-UHFFFAOYSA-N 0 3 370.522 3.556 20 30 FHEDHN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cc(C#N)ccn1 ZINC001167842919 948394181 /nfs/dbraw/zinc/39/41/81/948394181.db2.gz COQNDMFJWNHBTK-MGPUTAFESA-N 0 3 358.486 3.516 20 30 FHEDHN CCN1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3C#N)c(C)c2)CC1 ZINC000057366582 535747890 /nfs/dbraw/zinc/74/78/90/535747890.db2.gz ONZJGPACLKVXDY-UHFFFAOYSA-N 0 3 365.437 3.660 20 30 FHEDHN CCCn1c(C)cc(-c2csc(NC(=O)[C@H](N)CCCC#N)n2)c1C ZINC000601855076 567852508 /nfs/dbraw/zinc/85/25/08/567852508.db2.gz GKNKIWFXEJXONE-OAHLLOKOSA-N 0 3 359.499 3.598 20 30 FHEDHN CCCn1c(C)cc(-c2csc(NC(=O)[C@@H](N)CCCCC#N)n2)c1C ZINC000601856930 567852747 /nfs/dbraw/zinc/85/27/47/567852747.db2.gz RBSUWFQHLADSSR-INIZCTEOSA-N 0 3 373.526 3.988 20 30 FHEDHN C=CCC1(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)CCC1 ZINC000188552705 567916756 /nfs/dbraw/zinc/91/67/56/567916756.db2.gz GOAAKQCUJVYTCJ-UHFFFAOYSA-N 0 3 369.553 3.760 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1cccc(Br)c1 ZINC000602518126 567986822 /nfs/dbraw/zinc/98/68/22/567986822.db2.gz KETFSXQVEIECHB-AWEZNQCLSA-N 0 3 367.287 3.516 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1OCC(F)(F)F ZINC000602517941 567986817 /nfs/dbraw/zinc/98/68/17/567986817.db2.gz HXKAZWDGIHGENC-CQSZACIVSA-N 0 3 356.388 3.816 20 30 FHEDHN CSc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1Br ZINC000602528446 567987999 /nfs/dbraw/zinc/98/79/99/567987999.db2.gz BPTZTYXVPMPJFA-GFCCVEGCSA-N 0 3 356.289 3.521 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000602509178 567989037 /nfs/dbraw/zinc/98/90/37/567989037.db2.gz CKERLJFJPHNCFE-CQSZACIVSA-N 0 3 364.873 3.690 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000602539293 567992818 /nfs/dbraw/zinc/99/28/18/567992818.db2.gz ISPRWEPGTZFHAI-CQSZACIVSA-N 0 3 374.872 3.621 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000602580880 567993640 /nfs/dbraw/zinc/99/36/40/567993640.db2.gz IPAGNDGVJHHOIE-INIZCTEOSA-N 0 3 358.482 3.830 20 30 FHEDHN C[C@H](CCC#N)CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000602591288 567994991 /nfs/dbraw/zinc/99/49/91/567994991.db2.gz YKQCOLPCQNUOKR-QRWLVFNGSA-N 0 3 374.481 3.848 20 30 FHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(Br)cc1OCCCO ZINC000602836794 568050565 /nfs/dbraw/zinc/05/05/65/568050565.db2.gz JCJHHAAIECEUGA-CYBMUJFWSA-N 0 3 367.287 3.555 20 30 FHEDHN CC(C)[C@H](N)c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603178008 568068270 /nfs/dbraw/zinc/06/82/70/568068270.db2.gz ICWZOKKAQUWTJY-NRFANRHFSA-N 0 3 359.477 3.834 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCNC(=O)c1c(F)cccc1F ZINC000481646452 568080520 /nfs/dbraw/zinc/08/05/20/568080520.db2.gz QCSMRQNZAWHGAX-LJQANCHMSA-N 0 3 369.415 3.624 20 30 FHEDHN CCc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)N(C)C)cc1 ZINC000481656057 568081833 /nfs/dbraw/zinc/08/18/33/568081833.db2.gz JMLRQMOPMLSLCX-LJQANCHMSA-N 0 3 354.429 3.684 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000481677964 568085778 /nfs/dbraw/zinc/08/57/78/568085778.db2.gz MRJVJMINTNNPLV-WOJBJXKFSA-N 0 3 363.436 3.860 20 30 FHEDHN N#CC(C(=O)c1ccc(Oc2ccccc2)nc1)c1nnc2n1CCCCC2 ZINC000603627415 568127475 /nfs/dbraw/zinc/12/74/75/568127475.db2.gz JHHMWDLAKIBRMJ-QGZVFWFLSA-N 0 3 373.416 3.682 20 30 FHEDHN Cc1ccc([C@H](C)N(C)C[C@H](O)COc2ccc(CC#N)cc2)c(C)c1 ZINC000604081569 568209127 /nfs/dbraw/zinc/20/91/27/568209127.db2.gz XFQGREGUJUNXEC-ICSRJNTNSA-N 0 3 352.478 3.802 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000568806701 568229129 /nfs/dbraw/zinc/22/91/29/568229129.db2.gz JTTBWYFCUGRDPH-SFTDATJTSA-N 0 3 374.488 3.853 20 30 FHEDHN CC[C@H](C)N[C@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccco1 ZINC000569040840 568278236 /nfs/dbraw/zinc/27/82/36/568278236.db2.gz JYGJSCDBAPCAAE-MAUKXSAKSA-N 0 3 371.506 3.630 20 30 FHEDHN N#CC(C(=O)c1cnn2ccccc12)c1nc2ccccc2n1C(F)F ZINC000604929682 568397894 /nfs/dbraw/zinc/39/78/94/568397894.db2.gz NDKYMKJFLHQJGG-LLVKDONJSA-N 0 3 351.316 3.569 20 30 FHEDHN C=CCOc1cccc(NC(=O)N(C)C2CCN(c3ccncc3)CC2)c1 ZINC000365374632 568578383 /nfs/dbraw/zinc/57/83/83/568578383.db2.gz BXJHWSVWOGQASX-UHFFFAOYSA-N 0 3 366.465 3.779 20 30 FHEDHN N#Cc1c(C#N)c(N2CCC[C@@H](N3CCCC3)C2)nc2c1CCCCCC2 ZINC000408330894 568700439 /nfs/dbraw/zinc/70/04/39/568700439.db2.gz UHGVYCKJHWBMKT-QGZVFWFLSA-N 0 3 363.509 3.549 20 30 FHEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820092756 606965350 /nfs/dbraw/zinc/96/53/50/606965350.db2.gz OVEVSPPTQGGUBA-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820092756 606965351 /nfs/dbraw/zinc/96/53/51/606965351.db2.gz OVEVSPPTQGGUBA-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820092756 606965353 /nfs/dbraw/zinc/96/53/53/606965353.db2.gz OVEVSPPTQGGUBA-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820092756 606965356 /nfs/dbraw/zinc/96/53/56/606965356.db2.gz OVEVSPPTQGGUBA-UHFFFAOYSA-N 0 3 364.428 3.536 20 30 FHEDHN C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824537005 608543117 /nfs/dbraw/zinc/54/31/17/608543117.db2.gz CEYBDBBEMIXGFI-MIJUQJRQSA-N 0 3 372.476 3.921 20 30 FHEDHN C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824537005 608543118 /nfs/dbraw/zinc/54/31/18/608543118.db2.gz CEYBDBBEMIXGFI-MIJUQJRQSA-N 0 3 372.476 3.921 20 30 FHEDHN C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824540100 608543269 /nfs/dbraw/zinc/54/32/69/608543269.db2.gz RMKXGFVTNRAOFB-MIJUQJRQSA-N 0 3 372.476 3.921 20 30 FHEDHN C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824540100 608543270 /nfs/dbraw/zinc/54/32/70/608543270.db2.gz RMKXGFVTNRAOFB-MIJUQJRQSA-N 0 3 372.476 3.921 20 30 FHEDHN C#CCOc1ccc([C@H](C)NCc2cccc(CN3CCCC3=O)c2)cc1 ZINC000153919809 937143126 /nfs/dbraw/zinc/14/31/26/937143126.db2.gz AZJVQYACANCHKN-SFHVURJKSA-N 0 3 362.473 3.672 20 30 FHEDHN C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccc2)c1)C1=CCN(C)CC1 ZINC000511235221 937215836 /nfs/dbraw/zinc/21/58/36/937215836.db2.gz ZPSLOGYCZGWQQI-GOSISDBHSA-N 0 3 359.473 3.858 20 30 FHEDHN Cc1cccc2c1ncc(C#N)c2N1CCN(CCc2ccccc2)CC1 ZINC000610211330 928109255 /nfs/dbraw/zinc/10/92/55/928109255.db2.gz NJNDSALULRYEDS-UHFFFAOYSA-N 0 3 356.473 3.780 20 30 FHEDHN C=CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)CCc1ccccc1 ZINC000109357122 929070089 /nfs/dbraw/zinc/07/00/89/929070089.db2.gz HMMVCGDLQHOBLE-UHFFFAOYSA-N 0 3 350.462 3.949 20 30 FHEDHN Cc1cc(Cl)ccc1O[C@H](C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000120618677 929115197 /nfs/dbraw/zinc/11/51/97/929115197.db2.gz UMOACIMXWSPBAA-UKRRQHHQSA-N 0 3 372.856 3.610 20 30 FHEDHN Cc1nc(NC(=O)c2cccc(CN3CCCC3)c2)sc1SCC#N ZINC000109364952 929138480 /nfs/dbraw/zinc/13/84/80/929138480.db2.gz JCDNSZRGKWKHPS-UHFFFAOYSA-N 0 3 372.519 3.915 20 30 FHEDHN C=CCc1cc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)cc(OC)c1O ZINC000657747739 937311515 /nfs/dbraw/zinc/31/15/15/937311515.db2.gz RRMIBSMYHFBMNI-LEWJYISDSA-N 0 3 355.478 3.977 20 30 FHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1c(F)cc(C#N)cc1F ZINC000154781594 929276591 /nfs/dbraw/zinc/27/65/91/929276591.db2.gz PCJUJUBJAMRPOI-BEFAXECRSA-N 0 3 367.399 3.593 20 30 FHEDHN C=CCC[C@@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000180035472 929327351 /nfs/dbraw/zinc/32/73/51/929327351.db2.gz SVSBSOLXBONROZ-WOJBJXKFSA-N 0 3 350.462 3.924 20 30 FHEDHN CN(CCC#N)c1ccc(CN2CCC(Oc3ncccc3F)CC2)cc1 ZINC000278221257 937382117 /nfs/dbraw/zinc/38/21/17/937382117.db2.gz JCDZVHPNQYVUHO-UHFFFAOYSA-N 0 3 368.456 3.614 20 30 FHEDHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000610360191 930124157 /nfs/dbraw/zinc/12/41/57/930124157.db2.gz VBBWXINXSBSBAE-UZLBHIALSA-N 0 3 365.452 3.787 20 30 FHEDHN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cc(C#N)cs1 ZINC000177694335 930166305 /nfs/dbraw/zinc/16/63/05/930166305.db2.gz CKVDIYVJULJKJW-HNNXBMFYSA-N 0 3 368.506 3.727 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000074877128 937404089 /nfs/dbraw/zinc/40/40/89/937404089.db2.gz NBQZAUIJYCERDI-SFTDATJTSA-N 0 3 371.525 3.555 20 30 FHEDHN C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cccc(C#N)c1 ZINC000074917195 930341619 /nfs/dbraw/zinc/34/16/19/930341619.db2.gz SJKFYPQPTWKICM-INIZCTEOSA-N 0 3 366.465 3.518 20 30 FHEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000580548853 930839194 /nfs/dbraw/zinc/83/91/94/930839194.db2.gz OHUQVIQNBRESNH-RDJZCZTQSA-N 0 3 370.522 3.968 20 30 FHEDHN C=CCOc1ccc(/C=C\C(=O)Nc2cccc(CN(C)C)c2)cc1OC ZINC000255305661 932057419 /nfs/dbraw/zinc/05/74/19/932057419.db2.gz AOLRDSCCSMDJPA-BENRWUELSA-N 0 3 366.461 3.974 20 30 FHEDHN Cc1sc(=O)n(CC(=O)C(C#N)c2nc(-c3ccccc3)cs2)c1C ZINC000121423167 932457671 /nfs/dbraw/zinc/45/76/71/932457671.db2.gz JCBIOZPIKXLFTP-AWEZNQCLSA-N 0 3 369.471 3.527 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCc1ccc(C)s1 ZINC000176019820 932489366 /nfs/dbraw/zinc/48/93/66/932489366.db2.gz MVURLRNNHYNADY-HNNXBMFYSA-N 0 3 356.447 3.735 20 30 FHEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)C1 ZINC000292928985 932629066 /nfs/dbraw/zinc/62/90/66/932629066.db2.gz YVBZGTPBKDCWSQ-NFAWXSAZSA-N 0 3 363.387 3.620 20 30 FHEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1CCCC(=O)N1 ZINC000328826825 932756372 /nfs/dbraw/zinc/75/63/72/932756372.db2.gz SYCYIALHXDKNPB-MSOLQXFVSA-N 0 3 357.498 3.925 20 30 FHEDHN C[C@@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(OCC#N)cc1 ZINC000276891140 933881257 /nfs/dbraw/zinc/88/12/57/933881257.db2.gz HSBHACJTCLZROK-OXQOHEQNSA-N 0 3 355.482 3.563 20 30 FHEDHN C=C(C)COc1cc(CN2CCC[C@@H](CNC(=O)CCC)C2)ccc1OC ZINC000092708054 934141949 /nfs/dbraw/zinc/14/19/49/934141949.db2.gz CFFFFMCQOHLMRY-IBGZPJMESA-N 0 3 374.525 3.778 20 30 FHEDHN N#CCCn1cc(CNCc2ccc3c(c2)COC3)c(-c2ccccc2)n1 ZINC000610898837 934573533 /nfs/dbraw/zinc/57/35/33/934573533.db2.gz KESKGPVWROYDHJ-UHFFFAOYSA-N 0 3 358.445 3.784 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000610933068 934633622 /nfs/dbraw/zinc/63/36/22/934633622.db2.gz XWHPHWFMZDTGJJ-UTKZUKDTSA-N 0 3 359.473 3.542 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000181309007 934645368 /nfs/dbraw/zinc/64/53/68/934645368.db2.gz ARNACKCGSAMEIV-AWEZNQCLSA-N 0 3 369.431 3.586 20 30 FHEDHN COc1ccccc1[C@H](CC(C)C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000538278402 934824064 /nfs/dbraw/zinc/82/40/64/934824064.db2.gz WVDXVOAAFFMKJC-RXVVDRJESA-N 0 3 368.477 3.684 20 30 FHEDHN C[C@H](N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1cccc(C#N)c1 ZINC000538405952 934839573 /nfs/dbraw/zinc/83/95/73/934839573.db2.gz JVMDNNMICAUJJZ-WFASDCNBSA-N 0 3 357.816 3.807 20 30 FHEDHN C=C(C)COc1cc(CNCc2ccc([S@@](C)=O)cc2)ccc1OC ZINC000080343417 934861263 /nfs/dbraw/zinc/86/12/63/934861263.db2.gz HTCYJMDQSFWDEX-VWLOTQADSA-N 0 3 359.491 3.677 20 30 FHEDHN CC1(C#N)CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000611562734 934912676 /nfs/dbraw/zinc/91/26/76/934912676.db2.gz YTSPEJHWAXUOSE-LJQANCHMSA-N 0 3 354.498 3.549 20 30 FHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000516639788 945079483 /nfs/dbraw/zinc/07/94/83/945079483.db2.gz UGNQKGBZDMAFCO-CQSZACIVSA-N 0 3 356.857 3.854 20 30 FHEDHN CN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1cccc(C#N)c1 ZINC000551964535 935385290 /nfs/dbraw/zinc/38/52/90/935385290.db2.gz LIMGDQIHESAYCX-IBGZPJMESA-N 0 3 369.415 3.678 20 30 FHEDHN CC(C)[C@@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000507272119 945097547 /nfs/dbraw/zinc/09/75/47/945097547.db2.gz JXJITDFHDWSUEW-MOPGFXCFSA-N 0 3 355.869 3.767 20 30 FHEDHN C=CCC[C@H](C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000427143254 945121214 /nfs/dbraw/zinc/12/12/14/945121214.db2.gz HSLVYTKDLGDHPZ-SBHAEUEKSA-N 0 3 358.526 3.742 20 30 FHEDHN C[C@@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)N1CCCCC1 ZINC000728517183 936010685 /nfs/dbraw/zinc/01/06/85/936010685.db2.gz IFWAKAOAVMBFRC-KRWDZBQOSA-N 0 3 363.461 3.955 20 30 FHEDHN C=C1CCN(CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000472256349 936077541 /nfs/dbraw/zinc/07/75/41/936077541.db2.gz JAMLXEXTBBIHJZ-UHFFFAOYSA-N 0 3 366.465 3.599 20 30 FHEDHN CN(C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000582753688 936078666 /nfs/dbraw/zinc/07/86/66/936078666.db2.gz CUHHFGGAISATHI-IBGZPJMESA-N 0 3 366.440 3.826 20 30 FHEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000046529349 936128748 /nfs/dbraw/zinc/12/87/48/936128748.db2.gz GUKODSILIRJVGI-HNNXBMFYSA-N 0 3 365.260 3.737 20 30 FHEDHN CC[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000472261030 936133071 /nfs/dbraw/zinc/13/30/71/936133071.db2.gz PXHNXIVPXAFMKM-RBBKRZOGSA-N 0 3 361.489 3.690 20 30 FHEDHN C[C@@H]1CCC[C@@H](C)N1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329220763 938292952 /nfs/dbraw/zinc/29/29/52/938292952.db2.gz UCFGDVLJXMJNGQ-ZIAGYGMSSA-N 0 3 361.442 3.613 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(OC)c2)CC1 ZINC000448088113 938325638 /nfs/dbraw/zinc/32/56/38/938325638.db2.gz IBAHHWQEQQJRNB-UHFFFAOYSA-N 0 3 371.403 3.876 20 30 FHEDHN C=CCOc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246465914 938367554 /nfs/dbraw/zinc/36/75/54/938367554.db2.gz OGPKRHWJBQAEGO-QZTJIDSGSA-N 0 3 357.450 3.941 20 30 FHEDHN COc1ccccc1-n1nccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000583742565 938388672 /nfs/dbraw/zinc/38/86/72/938388672.db2.gz GBWMZWDXYSQMAD-FQEVSTJZSA-N 0 3 358.445 3.920 20 30 FHEDHN Cn1cc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1C#N ZINC000278461520 938452317 /nfs/dbraw/zinc/45/23/17/938452317.db2.gz FBACESYRMOLNFF-UHFFFAOYSA-N 0 3 363.383 3.711 20 30 FHEDHN COc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000052635599 938457981 /nfs/dbraw/zinc/45/79/81/938457981.db2.gz JZZWRJZOUAQZFY-FQEVSTJZSA-N 0 3 364.449 3.525 20 30 FHEDHN C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC[C@H](C2CC2)C1 ZINC000329643554 938570549 /nfs/dbraw/zinc/57/05/49/938570549.db2.gz IYBLIVNGEYOKJC-RDJZCZTQSA-N 0 3 355.482 3.912 20 30 FHEDHN COC(=O)c1csc(-c2cccc(CNCc3cc(C#N)cs3)c2)n1 ZINC000480472165 938957056 /nfs/dbraw/zinc/95/70/56/938957056.db2.gz HTFPAKNIEOQSFK-UHFFFAOYSA-N 0 3 369.471 3.820 20 30 FHEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)c1ccc(C)s1 ZINC000128281524 938998513 /nfs/dbraw/zinc/99/85/13/938998513.db2.gz NJEXWDRSWAGUHP-LLVKDONJSA-N 0 3 362.838 3.988 20 30 FHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)c1cccc(C#N)c1 ZINC000074917862 939188338 /nfs/dbraw/zinc/18/83/38/939188338.db2.gz NTUAVHGGIHONBO-INIZCTEOSA-N 0 3 368.456 3.532 20 30 FHEDHN CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000507462401 945250367 /nfs/dbraw/zinc/25/03/67/945250367.db2.gz DKVCZVKQLCZGGZ-OXQOHEQNSA-N 0 3 365.452 3.995 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCC[C@]3(CCCc4ccccc43)C2)CC1 ZINC000440162756 945272347 /nfs/dbraw/zinc/27/23/47/945272347.db2.gz SQIHLHXTBJNRSL-HSZRJFAPSA-N 0 3 367.537 3.717 20 30 FHEDHN C#CCCOc1ccc(CN(C)Cc2ccccc2N2CCOCC2)cc1 ZINC000179762580 939932200 /nfs/dbraw/zinc/93/22/00/939932200.db2.gz QTTYYIWJTQXHPI-UHFFFAOYSA-N 0 3 364.489 3.557 20 30 FHEDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000413658141 939981168 /nfs/dbraw/zinc/98/11/68/939981168.db2.gz PFFGHKWBKZEXSE-NRFANRHFSA-N 0 3 364.493 3.783 20 30 FHEDHN N#CC(C(=O)C[C@H]1CCC2(CCC2)CO1)C(=O)Nc1ccc(Cl)cc1 ZINC000892493156 940044615 /nfs/dbraw/zinc/04/46/15/940044615.db2.gz CGNCUWRERUFEJP-CVEARBPZSA-N 0 3 360.841 3.727 20 30 FHEDHN Cc1nc(C2CCC2)sc1CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000892494376 940054402 /nfs/dbraw/zinc/05/44/02/940054402.db2.gz DFLRBDCIONDQER-OAHLLOKOSA-N 0 3 353.447 3.609 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C[C@H]1CC(C)(C)CO1 ZINC000892496458 940062957 /nfs/dbraw/zinc/06/29/57/940062957.db2.gz YSUUFMQLDLJGCF-DLBZAZTESA-N 0 3 356.466 3.664 20 30 FHEDHN Cc1nc2c(cccc2C(=O)NCC2(N3CCSCC3)CCCC2)o1 ZINC000329952759 940096269 /nfs/dbraw/zinc/09/62/69/940096269.db2.gz MWQFCMFNVWAJLW-UHFFFAOYSA-N 0 3 359.495 3.802 20 30 FHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cncc(C(C)=O)c2)cc1 ZINC000892502128 940115153 /nfs/dbraw/zinc/11/51/53/940115153.db2.gz VZTJHAMKOPNLAU-DJJJIMSYSA-N 0 3 363.417 3.759 20 30 FHEDHN Cn1cc(CN(Cc2ccc(C#N)cc2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179925233 940132748 /nfs/dbraw/zinc/13/27/48/940132748.db2.gz JGZQMIOUSKIKEJ-UHFFFAOYSA-N 0 3 367.456 3.995 20 30 FHEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000579958097 940424741 /nfs/dbraw/zinc/42/47/41/940424741.db2.gz QUWFYIAXTWPYFN-MJGOQNOKSA-N 0 3 370.840 3.655 20 30 FHEDHN CC[C@H]1CN(c2c(C#N)nnc3ccccc32)CCN1Cc1ccccc1 ZINC000582270747 940662977 /nfs/dbraw/zinc/66/29/77/940662977.db2.gz RDHKMUFBBPMGKM-SFHVURJKSA-N 0 3 357.461 3.602 20 30 FHEDHN C=C(C)[C@@H](NC[C@H](O)COCc1cccs1)c1ccc(F)c(F)c1 ZINC000187791572 940732553 /nfs/dbraw/zinc/73/25/53/940732553.db2.gz ZXMMXIXZMNOSRL-KBXCAEBGSA-N 0 3 353.434 3.811 20 30 FHEDHN CC[C@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000330085492 945350573 /nfs/dbraw/zinc/35/05/73/945350573.db2.gz RJHUIUJLVGDQOU-FUHWJXTLSA-N 0 3 352.862 3.588 20 30 FHEDHN N#Cc1c(Cl)cc(Br)cc1-n1nc(CN)c2ccccc21 ZINC001167698414 941025156 /nfs/dbraw/zinc/02/51/56/941025156.db2.gz VUPHGTACZXPAAU-UHFFFAOYSA-N 0 3 361.630 3.772 20 30 FHEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000177393193 941120813 /nfs/dbraw/zinc/12/08/13/941120813.db2.gz IJODSBFRKRCVQE-KRWDZBQOSA-N 0 3 367.474 3.686 20 30 FHEDHN CCN1CC[C@H](NCC#Cc2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549112864 941347656 /nfs/dbraw/zinc/34/76/56/941347656.db2.gz MAHQABHOHMENHB-PZJWPPBQSA-N 0 3 358.407 3.881 20 30 FHEDHN N#Cc1ccc(CNC2CCN(Cc3cccc(Br)c3)CC2)o1 ZINC000414579996 941385123 /nfs/dbraw/zinc/38/51/23/941385123.db2.gz CYBMNZTVSKOLEV-UHFFFAOYSA-N 0 3 374.282 3.668 20 30 FHEDHN CN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000377045814 941503078 /nfs/dbraw/zinc/50/30/78/941503078.db2.gz UYOYSOAKFOCPQC-LJQANCHMSA-N 0 3 356.514 3.622 20 30 FHEDHN Cc1ccnc(OC2CCN(CCCOc3cccc(C#N)c3)CC2)c1 ZINC000541110704 941597671 /nfs/dbraw/zinc/59/76/71/941597671.db2.gz GTTLSSVDVYRWNQ-UHFFFAOYSA-N 0 3 351.450 3.574 20 30 FHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(COc2ccc(OC)cc2)n1 ZINC000280689009 942234525 /nfs/dbraw/zinc/23/45/25/942234525.db2.gz RHAHAQGJOHTCDZ-MGPUTAFESA-N 0 3 374.506 3.802 20 30 FHEDHN N#Cc1ccc(C2=CCN(Cc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC000420950433 942272483 /nfs/dbraw/zinc/27/24/83/942272483.db2.gz RCKCBOXBIUNNTF-UHFFFAOYSA-N 0 3 373.500 3.680 20 30 FHEDHN N#Cc1ccc(CNCc2cccc(COC3CCOCC3)c2)cc1F ZINC000421328645 942485249 /nfs/dbraw/zinc/48/52/49/942485249.db2.gz TUENNVMNKKLCBW-UHFFFAOYSA-N 0 3 354.425 3.683 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001125870465 942509888 /nfs/dbraw/zinc/50/98/88/942509888.db2.gz HQIDISURJKVTIQ-PMACEKPBSA-N 0 3 353.510 3.665 20 30 FHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](Oc2ccccc2)C1 ZINC000502552222 942518690 /nfs/dbraw/zinc/51/86/90/942518690.db2.gz BFVMEIAXRVVGPQ-IRLDBZIGSA-N 0 3 367.489 3.698 20 30 FHEDHN COc1cc(C#N)ccc1CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502544810 942522801 /nfs/dbraw/zinc/52/28/01/942522801.db2.gz GMLFAPZPIJTFHZ-HXUWFJFHSA-N 0 3 356.853 3.712 20 30 FHEDHN C=CCN(C(=O)N[C@H](C)c1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363821197 942753624 /nfs/dbraw/zinc/75/36/24/942753624.db2.gz LTXDIMRUTPGNRF-WIYYLYMNSA-N 0 3 364.493 3.615 20 30 FHEDHN CC(C)N1CCN(c2cccc(Nc3ncc(C#N)cc3Cl)c2)CC1 ZINC000502804871 942759779 /nfs/dbraw/zinc/75/97/79/942759779.db2.gz HULPAVFUXVXIJN-UHFFFAOYSA-N 0 3 355.873 3.881 20 30 FHEDHN CO[C@@H](C(=O)C(C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 ZINC000182853499 942797556 /nfs/dbraw/zinc/79/75/56/942797556.db2.gz VIBYGFRZNDKPQC-CXAGYDPISA-N 0 3 355.344 3.995 20 30 FHEDHN CCOC(=O)CC1(NCC#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000434619907 942806089 /nfs/dbraw/zinc/80/60/89/942806089.db2.gz HKMCZWGWMLBDRD-UHFFFAOYSA-N 0 3 353.384 3.913 20 30 FHEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466927076 942863067 /nfs/dbraw/zinc/86/30/67/942863067.db2.gz OJVFPLKSXXHBPJ-IRXDYDNUSA-N 0 3 369.534 3.916 20 30 FHEDHN C=CCN1CCC(NC(=O)N(C)Cc2cccc(Cl)c2Cl)CC1 ZINC000171736892 943019494 /nfs/dbraw/zinc/01/94/94/943019494.db2.gz MYMTXOFWVGVZPN-UHFFFAOYSA-N 0 3 356.297 3.785 20 30 FHEDHN CCc1ccc([C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)C(C)C)cc1 ZINC000513785181 943101552 /nfs/dbraw/zinc/10/15/52/943101552.db2.gz HPNTYRMATVAFKE-NRFANRHFSA-N 0 3 370.518 3.881 20 30 FHEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000505589719 943103731 /nfs/dbraw/zinc/10/37/31/943103731.db2.gz APBBGEBTOPEUBR-IERDGZPVSA-N 0 3 368.477 3.681 20 30 FHEDHN C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000505596235 943133787 /nfs/dbraw/zinc/13/37/87/943133787.db2.gz KZUCBGMQDXTSET-YWZLYKJASA-N 0 3 367.468 3.783 20 30 FHEDHN N#CCCC[C@@H](NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000431914278 943267765 /nfs/dbraw/zinc/26/77/65/943267765.db2.gz QDWIKNIYKMDPIF-WOJBJXKFSA-N 0 3 354.498 3.738 20 30 FHEDHN C=C(C)[C@@H](CC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)OCC ZINC000503766698 943363016 /nfs/dbraw/zinc/36/30/16/943363016.db2.gz AJVRUIXPGQMFNT-HXUWFJFHSA-N 0 3 359.514 3.527 20 30 FHEDHN Cc1cc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1Cl ZINC000503920718 943408730 /nfs/dbraw/zinc/40/87/30/943408730.db2.gz MZDFIOYKFONGPG-IBGZPJMESA-N 0 3 353.853 3.805 20 30 FHEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000515043055 943470611 /nfs/dbraw/zinc/47/06/11/943470611.db2.gz KDGLJCXHBDFEOA-BDTNDASRSA-N 0 3 359.473 3.615 20 30 FHEDHN Cc1cccc(COc2ccc(NC(=O)[C@@H](N)CCCC#N)c(C)c2)c1 ZINC000424111659 943736803 /nfs/dbraw/zinc/73/68/03/943736803.db2.gz GTTBWOCAWSTKBK-IBGZPJMESA-N 0 3 351.450 3.842 20 30 FHEDHN C=CCn1c([C@H]2CCCS2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000424118975 943741424 /nfs/dbraw/zinc/74/14/24/943741424.db2.gz DAAMYMIPTFEFRA-MRXNPFEDSA-N 0 3 363.575 3.590 20 30 FHEDHN COc1cccc([C@H](NC(=O)[C@@H](N)CCCC#N)c2ccccc2Cl)c1 ZINC000424131380 943758132 /nfs/dbraw/zinc/75/81/32/943758132.db2.gz UYIHLCKMHBAGIH-OALUTQOASA-N 0 3 371.868 3.575 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000424130796 943758661 /nfs/dbraw/zinc/75/86/61/943758661.db2.gz HYDMWIIEDACMAW-KRWDZBQOSA-N 0 3 356.857 3.912 20 30 FHEDHN CC1(C)CC[C@H]2C[C@H](NCc3cnc4c(C#N)cnn4c3)c3cccc1c32 ZINC000516971270 943872221 /nfs/dbraw/zinc/87/22/21/943872221.db2.gz QWYSRRVHZLSHGH-KXBFYZLASA-N 0 3 357.461 3.991 20 30 FHEDHN FC(F)(F)Oc1ccc(C#CCN2CCC[C@]3(CCCOC3)C2)cc1 ZINC000437567659 943925454 /nfs/dbraw/zinc/92/54/54/943925454.db2.gz JHWJPBMGWPZUKP-SFHVURJKSA-N 0 3 353.384 3.829 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000425438385 943937025 /nfs/dbraw/zinc/93/70/25/943937025.db2.gz ANYAUPWTSVWPNY-ZWKOTPCHSA-N 0 3 364.493 3.781 20 30 FHEDHN N#Cc1ccc(CN2CCCN(Cc3cc4c(cccc4F)[nH]3)CC2)cc1 ZINC000437582937 943943068 /nfs/dbraw/zinc/94/30/68/943943068.db2.gz WHBNZPWBCZYEFJ-UHFFFAOYSA-N 0 3 362.452 3.887 20 30 FHEDHN C=CCN1CC[C@H](N(C)CC/C=C\c2ccc(Br)cc2)C1=O ZINC000500008129 943944523 /nfs/dbraw/zinc/94/45/23/943944523.db2.gz INNOOPQANLKXFM-AATOQMJSSA-N 0 3 363.299 3.571 20 30 FHEDHN C=CCN1CC[C@H](N(C)[C@@H](CC)c2ccc(Br)cc2)C1=O ZINC000500017301 943956117 /nfs/dbraw/zinc/95/61/17/943956117.db2.gz UHWGZJLORHMRLQ-HOTGVXAUSA-N 0 3 351.288 3.619 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(=O)c1ccc(F)cc1F ZINC000123065988 944047555 /nfs/dbraw/zinc/04/75/55/944047555.db2.gz IQCFFRTUYLEQCX-CQSZACIVSA-N 0 3 367.355 3.691 20 30 FHEDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418001311 944049331 /nfs/dbraw/zinc/04/93/31/944049331.db2.gz WWWOTBOVLFLYDS-BRWVUGGUSA-N 0 3 362.477 3.678 20 30 FHEDHN CC(C)(CCC#N)CNCc1ccc(F)cc1I ZINC000418056209 944106223 /nfs/dbraw/zinc/10/62/23/944106223.db2.gz DPARJTXIVOHZNW-UHFFFAOYSA-N 0 3 360.214 3.850 20 30 FHEDHN COC(=O)[C@@H](C)Oc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418140244 944199686 /nfs/dbraw/zinc/19/96/86/944199686.db2.gz FNRNISRBUGPETG-VFNWGFHPSA-N 0 3 364.445 3.666 20 30 FHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000425543294 944293803 /nfs/dbraw/zinc/29/38/03/944293803.db2.gz ZDTZNWHZBONYBB-HNNXBMFYSA-N 0 3 350.418 3.595 20 30 FHEDHN CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000425549123 944302753 /nfs/dbraw/zinc/30/27/53/944302753.db2.gz NPETVSDJQNDMNC-BMGDILEWSA-N 0 3 362.905 3.714 20 30 FHEDHN CCN(CC)CC#C[C@H](C)OC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000783410148 944314535 /nfs/dbraw/zinc/31/45/35/944314535.db2.gz NXQSFMOTUKMDLC-SFHVURJKSA-N 0 3 363.457 3.808 20 30 FHEDHN C=CCN1CCC(NC(=O)NCC2CCC(c3ccccc3)CC2)CC1 ZINC000517466525 944324792 /nfs/dbraw/zinc/32/47/92/944324792.db2.gz QTNAISVJMMSBLD-UHFFFAOYSA-N 0 3 355.526 3.910 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)Nc1snc(C)c1C#N)c1ccsc1 ZINC000436488956 944372503 /nfs/dbraw/zinc/37/25/03/944372503.db2.gz NRQALWNEBIDGRL-CQSZACIVSA-N 0 3 363.512 3.589 20 30 FHEDHN C[C@H](OC[C@H](O)CN(C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000046836065 944456099 /nfs/dbraw/zinc/45/60/99/944456099.db2.gz NQNWGHYGFVRXOW-MGPUTAFESA-N 0 3 358.869 3.782 20 30 FHEDHN CN(C(=O)CN(Cc1ccccc1)CC1CCC1)C1(C#N)CCCCC1 ZINC000518600424 944537707 /nfs/dbraw/zinc/53/77/07/944537707.db2.gz ZVONXADJINPEFB-UHFFFAOYSA-N 0 3 353.510 3.974 20 30 FHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)NCCN1CCC(C)CC1 ZINC000518684528 944595314 /nfs/dbraw/zinc/59/53/14/944595314.db2.gz FUXPBIBYKDCTKG-MRXNPFEDSA-N 0 3 360.527 3.792 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cc3cccc(F)c3o2)CC1 ZINC000473828666 944606653 /nfs/dbraw/zinc/60/66/53/944606653.db2.gz YGAHKSZVKDIOBH-CQSZACIVSA-N 0 3 359.445 3.973 20 30 FHEDHN C=CC[C@@H](CC)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467405936 944656729 /nfs/dbraw/zinc/65/67/29/944656729.db2.gz ODVHNCFJETYCFE-TZMCWYRMSA-N 0 3 358.301 3.612 20 30 FHEDHN COc1cc2c(c(OC)c1OC)CCN([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000432030601 944936240 /nfs/dbraw/zinc/93/62/40/944936240.db2.gz GRFVSOGQGOHJOT-HNNXBMFYSA-N 0 3 366.461 3.746 20 30 FHEDHN N#CC1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCCCC1 ZINC000507149561 944985104 /nfs/dbraw/zinc/98/51/04/944985104.db2.gz NRQSUFPYGOVWMT-UHFFFAOYSA-N 0 3 353.510 3.628 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000507185262 945015269 /nfs/dbraw/zinc/01/52/69/945015269.db2.gz ZOCPIJWZFAVAHA-UHFFFAOYSA-N 0 3 372.488 3.579 20 30 FHEDHN C[C@@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000330140341 945373772 /nfs/dbraw/zinc/37/37/72/945373772.db2.gz WWVZWAFCKJEIRD-KDOFPFPSSA-N 0 3 352.862 3.588 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCOC3(CCCC3)C2)C1 ZINC000330218945 945407501 /nfs/dbraw/zinc/40/75/01/945407501.db2.gz PAFTZTSDDZXSFF-HOJAQTOUSA-N 0 3 371.525 3.817 20 30 FHEDHN CSc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)N(C)C)cc1 ZINC000454163032 945439505 /nfs/dbraw/zinc/43/95/05/945439505.db2.gz FXZIRAVAHNKGKK-SFHVURJKSA-N 0 3 354.479 3.705 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOc1ccccc1F ZINC000125066560 945537953 /nfs/dbraw/zinc/53/79/53/945537953.db2.gz PFHDVSPUYFUPSG-AWEZNQCLSA-N 0 3 351.381 3.748 20 30 FHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000661115805 945738204 /nfs/dbraw/zinc/73/82/04/945738204.db2.gz FDSGCRKSZNAWRK-GDBMZVCRSA-N 0 3 362.495 3.846 20 30 FHEDHN CC[C@H]1Oc2cc([C@H](C)NCc3ccc(C#N)c(OC)c3)ccc2NC1=O ZINC000281575747 945774953 /nfs/dbraw/zinc/77/49/53/945774953.db2.gz CVPTZLJMSWZCQS-SCLBCKFNSA-N 0 3 365.433 3.527 20 30 FHEDHN N#CC(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1 ZINC000048813521 945796265 /nfs/dbraw/zinc/79/62/65/945796265.db2.gz USTJWCAZTDYXBX-HNNXBMFYSA-N 0 3 361.792 3.892 20 30 FHEDHN C=CCOc1ccccc1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000111030333 945804918 /nfs/dbraw/zinc/80/49/18/945804918.db2.gz OTQWGTUQCGINNM-UHFFFAOYSA-N 0 3 350.462 3.777 20 30 FHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000440910554 946023630 /nfs/dbraw/zinc/02/36/30/946023630.db2.gz JDTLKEXNCMTXLH-JSGCOSHPSA-N 0 3 368.399 3.625 20 30 FHEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1nc(-c2cccs2)oc1C ZINC000049229126 946104434 /nfs/dbraw/zinc/10/44/34/946104434.db2.gz ICNNPRGEMOSRPN-CQSZACIVSA-N 0 3 373.478 3.659 20 30 FHEDHN COC(=O)c1ccccc1OCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000543897476 946120486 /nfs/dbraw/zinc/12/04/86/946120486.db2.gz IEUHOKPOBICEHI-UHFFFAOYSA-N 0 3 362.429 3.513 20 30 FHEDHN CCCN(CCN(C)C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000104530987 946193105 /nfs/dbraw/zinc/19/31/05/946193105.db2.gz ALLXGYNBOXHPNG-UHFFFAOYSA-N 0 3 365.477 3.551 20 30 FHEDHN CS[C@@H]1CCCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000441136229 946260179 /nfs/dbraw/zinc/26/01/79/946260179.db2.gz VGKJKQYGOFPJQR-VZDIDWBNSA-N 0 3 351.560 3.523 20 30 FHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(OC(C)(C)C)cc2)n1 ZINC000432228508 946270166 /nfs/dbraw/zinc/27/01/66/946270166.db2.gz JYTPMNIWEHIGDS-AWEZNQCLSA-N 0 3 372.446 3.987 20 30 FHEDHN C[C@@H]1[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCN1Cc1ccccc1 ZINC000520274162 946329740 /nfs/dbraw/zinc/32/97/40/946329740.db2.gz AFZFMIZFZOKLCW-DYESRHJHSA-N 0 3 361.489 3.881 20 30 FHEDHN C=CCCCCCN(C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000661667020 946387385 /nfs/dbraw/zinc/38/73/85/946387385.db2.gz JBZWBYMPNRBTPL-UHFFFAOYSA-N 0 3 358.530 3.681 20 30 FHEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000441357178 946476168 /nfs/dbraw/zinc/47/61/68/946476168.db2.gz NKNJMPLKWUVXQM-HXUWFJFHSA-N 0 3 355.526 3.981 20 30 FHEDHN C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823894138 946503828 /nfs/dbraw/zinc/50/38/28/946503828.db2.gz INVMOVFQOYIQIA-YWZLYKJASA-N 0 3 363.465 3.511 20 30 FHEDHN C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823894138 946503834 /nfs/dbraw/zinc/50/38/34/946503834.db2.gz INVMOVFQOYIQIA-YWZLYKJASA-N 0 3 363.465 3.511 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000664969001 946601570 /nfs/dbraw/zinc/60/15/70/946601570.db2.gz CHDWMBQJOITRHA-SCTDSRPQSA-N 0 3 359.539 3.904 20 30 FHEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000475271435 946805887 /nfs/dbraw/zinc/80/58/87/946805887.db2.gz XFWKJOPJLSMWQN-CZUORRHYSA-N 0 3 363.387 3.631 20 30 FHEDHN Cc1ccccc1CN1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000614803791 946863900 /nfs/dbraw/zinc/86/39/00/946863900.db2.gz FAYHYJYZUOTDDZ-UHFFFAOYSA-N 0 3 373.500 3.633 20 30 FHEDHN N#Cc1ccc(CN2CCCN(Cc3cc(F)cc4cccnc43)CC2)cc1 ZINC000025934085 946905176 /nfs/dbraw/zinc/90/51/76/946905176.db2.gz QYAKEWMPZGXLML-UHFFFAOYSA-N 0 3 374.463 3.953 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCOc2cccc(C)c2)c1 ZINC000127117804 946940444 /nfs/dbraw/zinc/94/04/44/946940444.db2.gz UUDRYAFQUOVBOQ-IBGZPJMESA-N 0 3 366.417 3.510 20 30 FHEDHN Cc1ccc(NC(=O)NC(=O)CN2CC[C@@H](C3CCOCC3)C2)cc1C ZINC000328725907 946982287 /nfs/dbraw/zinc/98/22/87/946982287.db2.gz BQUKSSJSNLAFEX-QGZVFWFLSA-N 0 3 359.470 3.540 20 30 FHEDHN Cc1nc2cccc(C(=O)N[C@@H]3CCN(C)[C@@H]3c3ccc(F)c(F)c3)c2[nH]1 ZINC000328687290 946988399 /nfs/dbraw/zinc/98/83/99/946988399.db2.gz GXPRLAUVMLYJMJ-IEBWSBKVSA-N 0 3 370.403 3.900 20 30 FHEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000598601507 947086344 /nfs/dbraw/zinc/08/63/44/947086344.db2.gz GOKAWCRDIZJPSA-HKUYNNGSSA-N 0 3 357.885 3.909 20 30 FHEDHN COc1cc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc(OC)c1OC ZINC000237277300 947088250 /nfs/dbraw/zinc/08/82/50/947088250.db2.gz JYSNARJYOWZLGJ-CABCVRRESA-N 0 3 370.449 3.854 20 30 FHEDHN CN1C[C@H](NC(=O)CNC(=O)CC2CCCCC2)[C@H](c2ccccc2)C1 ZINC000328924500 947110617 /nfs/dbraw/zinc/11/06/17/947110617.db2.gz NQZNCZACRBKJGQ-OALUTQOASA-N 0 3 357.498 3.968 20 30 FHEDHN CC(C)(C)c1ccccc1NC(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000328974966 947129948 /nfs/dbraw/zinc/12/99/48/947129948.db2.gz PUBOBTCAQWEYBH-LRXVAGHRSA-N 0 3 374.525 3.824 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000662086714 947225077 /nfs/dbraw/zinc/22/50/77/947225077.db2.gz WKLZJXLNMIEAIM-OTWHNJEPSA-N 0 3 370.493 3.550 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000662086438 947226392 /nfs/dbraw/zinc/22/63/92/947226392.db2.gz SEFJQACGTKDZMH-CALCHBBNSA-N 0 3 354.475 3.532 20 30 FHEDHN C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000248730023 947311013 /nfs/dbraw/zinc/31/10/13/947311013.db2.gz JAUBOAXYCGNFEG-YRISNDGFSA-N 0 3 363.461 3.643 20 30 FHEDHN Cc1ccc(CN(C)C)cc1NC(=O)C1(NC(=O)NC(C)C)CCCCC1 ZINC000331023156 947323909 /nfs/dbraw/zinc/32/39/09/947323909.db2.gz ZWHWGBJNOPKPFG-UHFFFAOYSA-N 0 3 374.529 3.610 20 30 FHEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000523623610 947453739 /nfs/dbraw/zinc/45/37/39/947453739.db2.gz PKMDGOSWWVLGRE-QFBILLFUSA-N 0 3 357.498 3.688 20 30 FHEDHN C=CCC1(CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)CCCC1 ZINC000459047747 947998833 /nfs/dbraw/zinc/99/88/33/947998833.db2.gz CROHOTXSNBNXOC-FQEVSTJZSA-N 0 3 370.541 3.681 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)CC1 ZINC000190419588 948087383 /nfs/dbraw/zinc/08/73/83/948087383.db2.gz XUOOPTFLWOMPLM-HXUWFJFHSA-N 0 3 359.470 3.746 20 30 FHEDHN Cc1ccccc1CN1CCC(Nc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000052406881 210062160 /nfs/dbraw/zinc/06/21/60/210062160.db2.gz OAMYUZCSRSABNV-UHFFFAOYSA-N 0 3 350.422 3.851 20 30 FHEDHN COc1ccc(OC)c([C@@H]2CCCN2CCOc2ccc(C#N)cc2)c1 ZINC000015312569 211127161 /nfs/dbraw/zinc/12/71/61/211127161.db2.gz NHLIAYQGPLMLJS-FQEVSTJZSA-N 0 3 352.434 3.791 20 30 FHEDHN Cc1ccc(C)c(OC[C@@H](O)CNC2(c3cccc(C#N)c3)CC2)c1C ZINC000568082072 567862124 /nfs/dbraw/zinc/86/21/24/567862124.db2.gz QTDIZHDOANRCAQ-FQEVSTJZSA-N 0 3 350.462 3.502 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(OCc2ccccn2)c1 ZINC000602514171 567989634 /nfs/dbraw/zinc/98/96/34/567989634.db2.gz IATUVXBEJYYQMF-GOSISDBHSA-N 0 3 365.477 3.849 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000602539292 567992747 /nfs/dbraw/zinc/99/27/47/567992747.db2.gz ISPRWEPGTZFHAI-AWEZNQCLSA-N 0 3 374.872 3.621 20 30 FHEDHN CC(C)(c1csc(NC(=O)[C@H](N)CCCCC#N)n1)c1ccccc1 ZINC000602578180 567993428 /nfs/dbraw/zinc/99/34/28/567993428.db2.gz KOSBEHCPRYDZQJ-OAHLLOKOSA-N 0 3 356.495 3.819 20 30 FHEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(OC[C@@H]2CCCO2)c1 ZINC000602567550 567995823 /nfs/dbraw/zinc/99/58/23/567995823.db2.gz FPFCXYVODGEDJO-ICSRJNTNSA-N 0 3 372.509 3.741 20 30 FHEDHN CC(C)(C#N)CCCN1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602889717 568006847 /nfs/dbraw/zinc/00/68/47/568006847.db2.gz ZWUXJKUIUAHZOP-CQSZACIVSA-N 0 3 352.276 3.627 20 30 FHEDHN COc1ccc(CN(Cc2ccc(CC#N)cc2)[C@@H](C)CCCO)cc1 ZINC000602966785 568025006 /nfs/dbraw/zinc/02/50/06/568025006.db2.gz RDOAMZOLWJMOCB-SFHVURJKSA-N 0 3 352.478 3.924 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCNC(=O)c1ccc(Cl)cc1 ZINC000481669418 568081102 /nfs/dbraw/zinc/08/11/02/568081102.db2.gz VFCRRSZYSZDXLT-FQEVSTJZSA-N 0 3 367.880 3.999 20 30 FHEDHN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@H]1CCCCN1C1CCCC1 ZINC000330288521 568131031 /nfs/dbraw/zinc/13/10/31/568131031.db2.gz DBTYJXCJTSPALP-IEBWSBKVSA-N 0 3 373.472 3.685 20 30 FHEDHN Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000603839269 568161040 /nfs/dbraw/zinc/16/10/40/568161040.db2.gz JBZABYGOLKJMQY-UHFFFAOYSA-N 0 3 366.440 3.746 20 30 FHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291440301 568161242 /nfs/dbraw/zinc/16/12/42/568161242.db2.gz GAFSLFPCEWGEHZ-APWZRJJASA-N 0 3 364.401 3.588 20 30 FHEDHN C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000330308176 568222065 /nfs/dbraw/zinc/22/20/65/568222065.db2.gz SPBNQXGRJQXKJK-BEFAXECRSA-N 0 3 358.442 3.638 20 30 FHEDHN C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000330308176 568222066 /nfs/dbraw/zinc/22/20/66/568222066.db2.gz SPBNQXGRJQXKJK-BEFAXECRSA-N 0 3 358.442 3.638 20 30 FHEDHN C[C@@H](CNc1ccc(C#N)c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000303434943 568277997 /nfs/dbraw/zinc/27/79/97/568277997.db2.gz GQUBBWGLSFCEOE-INIZCTEOSA-N 0 3 354.885 3.834 20 30 FHEDHN CC(C)c1ccc(CN(C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000604468381 568297502 /nfs/dbraw/zinc/29/75/02/568297502.db2.gz WFPQIJDOFDZBKV-OAQYLSRUSA-N 0 3 352.478 3.748 20 30 FHEDHN N#Cc1ccccc1COc1cccc(CN2CC[C@@H](n3cccn3)C2)c1 ZINC000569180317 568304948 /nfs/dbraw/zinc/30/49/48/568304948.db2.gz QBPIIAXNRWKHSJ-OAQYLSRUSA-N 0 3 358.445 3.781 20 30 FHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(CC(C)C)C(C)C)c1C#N ZINC000031582384 568333974 /nfs/dbraw/zinc/33/39/74/568333974.db2.gz DVVMGFIUEZJDOF-UHFFFAOYSA-N 0 3 370.497 3.923 20 30 FHEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)C(C)C ZINC000604746789 568356404 /nfs/dbraw/zinc/35/64/04/568356404.db2.gz ITBQISQEIKWIDQ-GPMSIDNRSA-N 0 3 362.464 3.883 20 30 FHEDHN COCCN(C)CC[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000569633616 568411252 /nfs/dbraw/zinc/41/12/52/568411252.db2.gz GLMMTZDCMCTGLR-IBGZPJMESA-N 0 3 368.437 3.588 20 30 FHEDHN Cc1noc(C[C@H](NC2CC(C#N)(c3ccccc3)C2)c2ccccc2)n1 ZINC000365289917 568427851 /nfs/dbraw/zinc/42/78/51/568427851.db2.gz HKQZVMHXZZCTSW-FUHYEJFZSA-N 0 3 358.445 3.875 20 30 FHEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC(=O)N(c3ccc(Cl)c(F)c3)C1)CC2 ZINC000569974619 568445397 /nfs/dbraw/zinc/44/53/97/568445397.db2.gz VBVMTVPXKQQAGE-AUUYWEPGSA-N 0 3 369.827 3.733 20 30 FHEDHN COc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc(OC)c1OC ZINC000570575815 568486986 /nfs/dbraw/zinc/48/69/86/568486986.db2.gz OWFIJVTZRJJPMC-GOSISDBHSA-N 0 3 352.434 3.751 20 30 FHEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@H]1CCOc2ccccc21)C(C)C ZINC000605128117 568580181 /nfs/dbraw/zinc/58/01/81/568580181.db2.gz XJURCHPFUDDINP-QUCCMNQESA-N 0 3 356.510 3.758 20 30 FHEDHN CCCn1ccnc1CCCN(C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000365404003 568622403 /nfs/dbraw/zinc/62/24/03/568622403.db2.gz DMDJKHOJLZYQJT-UHFFFAOYSA-N 0 3 363.465 3.884 20 30 FHEDHN C[C@@H](NC[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000324151073 568730238 /nfs/dbraw/zinc/73/02/38/568730238.db2.gz BOHCGOYEDSYXCM-IUODEOHRSA-N 0 3 365.260 3.956 20 30 FHEDHN N#Cc1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000737730328 598888135 /nfs/dbraw/zinc/88/81/35/598888135.db2.gz IHJVQPBGDDYJJK-UHFFFAOYSA-N 0 3 372.457 3.757 20 30 FHEDHN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3ccc(C#N)cc31)[C@@H]2C ZINC001164857959 720950178 /nfs/dbraw/zinc/95/01/78/720950178.db2.gz IMDUVKYAZSYVSU-MRXNPFEDSA-N 0 3 374.492 3.724 20 30 FHEDHN C[C@H](N[C@@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507241584 945068026 /nfs/dbraw/zinc/06/80/26/945068026.db2.gz ALJZTBWSQFVKHC-RYUDHWBXSA-N 0 3 367.840 3.766 20 30 FHEDHN N#CC1(NC(=O)CS[C@@H]2CCCN(Cc3ccccc3)C2)CCCCC1 ZINC000579717724 927167080 /nfs/dbraw/zinc/16/70/80/927167080.db2.gz IRFZCKIIRPXNJZ-LJQANCHMSA-N 0 3 371.550 3.727 20 30 FHEDHN COc1cc2cc(C([O-])=C(C#N)c3nc4ccccc4o3)[nH]c2cc1OC ZINC000605362914 927656601 /nfs/dbraw/zinc/65/66/01/927656601.db2.gz ZHNYDZKVALVJCE-LBPRGKRZSA-N 0 3 361.357 3.816 20 30 FHEDHN COc1cc2cc(C(=O)C(C#N)c3nc4ccccc4o3)[nH]c2cc1OC ZINC000605362914 927656608 /nfs/dbraw/zinc/65/66/08/927656608.db2.gz ZHNYDZKVALVJCE-LBPRGKRZSA-N 0 3 361.357 3.816 20 30 FHEDHN CC(C)COc1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430190305 927716899 /nfs/dbraw/zinc/71/68/99/927716899.db2.gz XEYQRRRQAJBVLS-HXUWFJFHSA-N 0 3 351.450 3.641 20 30 FHEDHN CC(C)(C)OC(=O)NCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000176764220 937197017 /nfs/dbraw/zinc/19/70/17/937197017.db2.gz LFTZIVJMZZTGCI-LBPRGKRZSA-N 0 3 357.410 3.555 20 30 FHEDHN N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000120332724 928165438 /nfs/dbraw/zinc/16/54/38/928165438.db2.gz KRQSCMSPDYCBCC-LJQANCHMSA-N 0 3 359.433 3.559 20 30 FHEDHN N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000120332724 928165444 /nfs/dbraw/zinc/16/54/44/928165444.db2.gz KRQSCMSPDYCBCC-LJQANCHMSA-N 0 3 359.433 3.559 20 30 FHEDHN C=CCC(CC=C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000150860627 937292557 /nfs/dbraw/zinc/29/25/57/937292557.db2.gz RAUFVJNOLJUJND-HXUWFJFHSA-N 0 3 369.509 3.560 20 30 FHEDHN CCc1ccc([C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000187302950 929684808 /nfs/dbraw/zinc/68/48/08/929684808.db2.gz QRQXQNQPCAQYIE-NRFANRHFSA-N 0 3 361.489 3.571 20 30 FHEDHN CC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C#N)cc1 ZINC000278215868 937375284 /nfs/dbraw/zinc/37/52/84/937375284.db2.gz IINBAXHNCHCFCA-OAQYLSRUSA-N 0 3 367.468 3.899 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000610348943 930065585 /nfs/dbraw/zinc/06/55/85/930065585.db2.gz CZKBNIDURYDECO-FVJLSDCUSA-N 0 3 362.477 3.754 20 30 FHEDHN Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000610350348 930086177 /nfs/dbraw/zinc/08/61/77/930086177.db2.gz SNXUICCFMQYHPA-OXQOHEQNSA-N 0 3 350.466 3.530 20 30 FHEDHN C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(C#N)c1 ZINC000610356384 930109013 /nfs/dbraw/zinc/10/90/13/930109013.db2.gz QNYBMCXJQHACKJ-UWJYYQICSA-N 0 3 362.477 3.756 20 30 FHEDHN CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000118880635 930184546 /nfs/dbraw/zinc/18/45/46/930184546.db2.gz UUJZKEVXILGJEG-GOSISDBHSA-N 0 3 369.509 3.503 20 30 FHEDHN CC(C)n1cc([C@@H](C)NCCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000580287057 930440239 /nfs/dbraw/zinc/44/02/39/930440239.db2.gz ZDNDMTYLASSZFD-CYBMUJFWSA-N 0 3 359.861 3.668 20 30 FHEDHN COc1cccc([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccccc2OC)c1 ZINC000175944773 930664151 /nfs/dbraw/zinc/66/41/51/930664151.db2.gz QEGDVMOJRWSXKK-WMLDXEAASA-N 0 3 366.417 3.545 20 30 FHEDHN COc1cc(CNCc2ccc(CC#N)cc2)ccc1OCC(F)(F)F ZINC000580550756 930843409 /nfs/dbraw/zinc/84/34/09/930843409.db2.gz SKAVHUUTKOTAQC-UHFFFAOYSA-N 0 3 364.367 3.992 20 30 FHEDHN N#Cc1ccc([C@H](O)CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000156311393 932356147 /nfs/dbraw/zinc/35/61/47/932356147.db2.gz UPTGJSZJTCFFRV-RTWAWAEBSA-N 0 3 370.880 3.691 20 30 FHEDHN N#CC(C(=O)c1c[nH]nc1-c1c(F)cccc1F)c1nc2ccccc2[nH]1 ZINC000155674265 932600026 /nfs/dbraw/zinc/60/00/26/932600026.db2.gz FRHNFAAHSXWZAY-SNVBAGLBSA-N 0 3 363.327 3.721 20 30 FHEDHN CN(Cc1cc(C#N)cs1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000891895106 933921404 /nfs/dbraw/zinc/92/14/04/933921404.db2.gz BRCKUPIUTZWYLM-LJQANCHMSA-N 0 3 368.506 3.598 20 30 FHEDHN C=CCc1cc(CN2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)cc(OC)c1O ZINC000092730715 934150900 /nfs/dbraw/zinc/15/09/00/934150900.db2.gz UVRINHYGTKSHCU-LPHOPBHVSA-N 0 3 374.525 3.646 20 30 FHEDHN C[C@H](N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000510979452 934247746 /nfs/dbraw/zinc/24/77/46/934247746.db2.gz OQTVNJWTCSEQKJ-QFBILLFUSA-N 0 3 365.452 3.582 20 30 FHEDHN COc1ccc(O)c(/C=N/C[C@H](c2ccccc2OC)N2CCCC2)c1 ZINC000022769443 934355856 /nfs/dbraw/zinc/35/58/56/934355856.db2.gz UWBZDHNKMKEKGI-VZMFNRANSA-N 0 3 354.450 3.665 20 30 FHEDHN C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)N1[C@H](C)CC[C@@H]1C ZINC000413421430 934597862 /nfs/dbraw/zinc/59/78/62/934597862.db2.gz WZAKMIUAWIYSQK-OQMKEHIESA-N 0 3 353.388 3.648 20 30 FHEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000176230982 934644816 /nfs/dbraw/zinc/64/48/16/934644816.db2.gz URRXIAQUONYVDB-FQEVSTJZSA-N 0 3 372.465 3.602 20 30 FHEDHN C[C@@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000610986427 934689780 /nfs/dbraw/zinc/68/97/80/934689780.db2.gz PRYNRMAGYUCYJY-UTKZUKDTSA-N 0 3 374.488 3.510 20 30 FHEDHN CCSc1cccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000472079014 934960910 /nfs/dbraw/zinc/96/09/10/934960910.db2.gz RITAUKGKXCIQLP-HXUWFJFHSA-N 0 3 365.502 3.955 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)c1ccccc1 ZINC000072045654 935244236 /nfs/dbraw/zinc/24/42/36/935244236.db2.gz RMOCXSBCCPUMBJ-UHFFFAOYSA-N 0 3 363.505 3.816 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(C[NH+]2CCCC2)cc1 ZINC000582188143 935386759 /nfs/dbraw/zinc/38/67/59/935386759.db2.gz MXNKXJWHHQHGBN-GOSISDBHSA-N 0 3 358.445 3.659 20 30 FHEDHN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000582188143 935386763 /nfs/dbraw/zinc/38/67/63/935386763.db2.gz MXNKXJWHHQHGBN-GOSISDBHSA-N 0 3 358.445 3.659 20 30 FHEDHN CCOC(=O)c1cnn(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1C ZINC000375678689 935394693 /nfs/dbraw/zinc/39/46/93/935394693.db2.gz KOAQLPOOVNYBSK-OAHLLOKOSA-N 0 3 366.465 3.638 20 30 FHEDHN CC(C)[C@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000507272120 945097959 /nfs/dbraw/zinc/09/79/59/945097959.db2.gz JXJITDFHDWSUEW-OALUTQOASA-N 0 3 355.869 3.767 20 30 FHEDHN C[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000582423122 935682121 /nfs/dbraw/zinc/68/21/21/935682121.db2.gz IBGCTFSXKOSYDR-UHOFOFEASA-N 0 3 353.388 3.636 20 30 FHEDHN C=CCOc1c(Br)cc(CN[C@H]2CO[C@@H](C)C2)cc1OCC ZINC000564961687 935702284 /nfs/dbraw/zinc/70/22/84/935702284.db2.gz WCLPDRLAHMIYBH-GXTWGEPZSA-N 0 3 370.287 3.680 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)NCc2ccc(C#N)s2)N2CCCC2)cc1 ZINC000582599340 935861477 /nfs/dbraw/zinc/86/14/77/935861477.db2.gz PRFKLLLEGQOZCR-IBGZPJMESA-N 0 3 368.506 3.565 20 30 FHEDHN COC(=O)C[C@H](C)SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000115189624 935879583 /nfs/dbraw/zinc/87/95/83/935879583.db2.gz JBLGPPWTIXUAPC-JSGCOSHPSA-N 0 3 374.487 3.671 20 30 FHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000509579564 945134108 /nfs/dbraw/zinc/13/41/08/945134108.db2.gz VFRZTEAWNFKXNO-CYBMUJFWSA-N 0 3 356.307 3.981 20 30 FHEDHN CC[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000472261031 936133192 /nfs/dbraw/zinc/13/31/92/936133192.db2.gz PXHNXIVPXAFMKM-UNMCSNQZSA-N 0 3 361.489 3.690 20 30 FHEDHN C=CCOc1ccc(CNCC2(S(C)(=O)=O)CCCCC2)cc1Cl ZINC000657654155 936166862 /nfs/dbraw/zinc/16/68/62/936166862.db2.gz UZSWOGJMFUSHCS-UHFFFAOYSA-N 0 3 371.930 3.742 20 30 FHEDHN CN(C)CCN(Cc1ccsc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000458567608 938285992 /nfs/dbraw/zinc/28/59/92/938285992.db2.gz JKPBTFSFZAADEY-LJQANCHMSA-N 0 3 370.522 3.866 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](Cc2ccccc2)C(C)C)CC1 ZINC000468333609 938302339 /nfs/dbraw/zinc/30/23/39/938302339.db2.gz HTWZRWPNKJBGGB-FQEVSTJZSA-N 0 3 357.542 3.841 20 30 FHEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C12CCCC2 ZINC000329569878 938489129 /nfs/dbraw/zinc/48/91/29/938489129.db2.gz IMEMEOAEFWNXRI-GDIGMMSISA-N 0 3 374.481 3.762 20 30 FHEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C12CCCC2 ZINC000329569880 938489191 /nfs/dbraw/zinc/48/91/91/938489191.db2.gz IMEMEOAEFWNXRI-NIKGAXFTSA-N 0 3 374.481 3.762 20 30 FHEDHN CSc1ccc([C@@H](CNC(=O)NCC(C)(C)CCC#N)N(C)C)cc1 ZINC000458755276 938527285 /nfs/dbraw/zinc/52/72/85/938527285.db2.gz CKHKGDAQYSBCDX-QGZVFWFLSA-N 0 3 362.543 3.640 20 30 FHEDHN CN(C)[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000151472788 938552053 /nfs/dbraw/zinc/55/20/53/938552053.db2.gz UVXIWFVTIWJDFK-UXHICEINSA-N 0 3 350.466 3.634 20 30 FHEDHN CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)N(C)C)cc1 ZINC000458779085 938562867 /nfs/dbraw/zinc/56/28/67/938562867.db2.gz ZXQGVSMORCCOKS-JBACZVJFSA-N 0 3 370.541 3.869 20 30 FHEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC(C)(C)C#N ZINC000278731873 938698459 /nfs/dbraw/zinc/69/84/59/938698459.db2.gz KXLKBDXUTNOJEJ-GOSISDBHSA-N 0 3 365.481 3.517 20 30 FHEDHN CC[C@@H](NCc1cc(F)ccc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000278768121 938847263 /nfs/dbraw/zinc/84/72/63/938847263.db2.gz OZPDIOITRXTXKV-HXUWFJFHSA-N 0 3 353.441 3.775 20 30 FHEDHN CN(CCC#N)c1ccc(CNCc2ccc(OCC3CC3)nc2)cc1 ZINC000159965375 938904083 /nfs/dbraw/zinc/90/40/83/938904083.db2.gz MJUBWBOYPUVCPK-UHFFFAOYSA-N 0 3 350.466 3.510 20 30 FHEDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000472336197 938994111 /nfs/dbraw/zinc/99/41/11/938994111.db2.gz DNWZTOKTDSUPEX-NQSCKRDGSA-N 0 3 359.473 3.617 20 30 FHEDHN CN(C)CCN(C(=O)CSCc1ccc(C#N)cc1)C1CCCCC1 ZINC000065746492 939021606 /nfs/dbraw/zinc/02/16/06/939021606.db2.gz PAFVKKPQFZUYQM-UHFFFAOYSA-N 0 3 359.539 3.514 20 30 FHEDHN CCCCc1nc(CON=Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000255754260 939164937 /nfs/dbraw/zinc/16/49/37/939164937.db2.gz DWLCJBRTZYRNFP-UHFFFAOYSA-N 0 3 359.495 3.873 20 30 FHEDHN CCN(Cc1cc(OC)c2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000179463389 939169722 /nfs/dbraw/zinc/16/97/22/939169722.db2.gz YNXOEVGMINCVOF-OAHLLOKOSA-N 0 3 352.434 3.921 20 30 FHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)c1cccc(C#N)c1 ZINC000074918584 939192345 /nfs/dbraw/zinc/19/23/45/939192345.db2.gz IKTJWQVSWCLWLE-INIZCTEOSA-N 0 3 368.456 3.532 20 30 FHEDHN Clc1ccccc1C#CCN1CCC(CCCN2CCOCC2)CC1 ZINC000506037656 945265043 /nfs/dbraw/zinc/26/50/43/945265043.db2.gz UUSQMQDKPODCOL-UHFFFAOYSA-N 0 3 360.929 3.516 20 30 FHEDHN N#Cc1ccccc1Cn1cccc1CN[C@@H]1C[C@@H](CO)c2ccccc21 ZINC000364554572 939962350 /nfs/dbraw/zinc/96/23/50/939962350.db2.gz YMPNNLHOZWDVND-WMZHIEFXSA-N 0 3 357.457 3.719 20 30 FHEDHN Cc1nc(C(C)C)ncc1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000892489675 940024377 /nfs/dbraw/zinc/02/43/77/940024377.db2.gz MAASBFAXLZOESP-GFCCVEGCSA-N 0 3 356.813 3.523 20 30 FHEDHN N#C[C@]1(NC(=O)c2cccc(CN3CCCCC3)c2)CCc2ccccc2C1 ZINC000413707721 940032906 /nfs/dbraw/zinc/03/29/06/940032906.db2.gz COJQPYOVQPQAKQ-DEOSSOPVSA-N 0 3 373.500 3.854 20 30 FHEDHN N#Cc1ccc(CNC(=O)CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1 ZINC000548928296 940053427 /nfs/dbraw/zinc/05/34/27/940053427.db2.gz VNZZKBWMZQDRNS-KOUNCHBCSA-N 0 3 359.473 3.585 20 30 FHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C\c1ccccc1C#N ZINC000255865411 940057409 /nfs/dbraw/zinc/05/74/09/940057409.db2.gz ZFKSTWSVUVCBKN-HSNDNRACSA-N 0 3 359.473 3.694 20 30 FHEDHN CCCCc1nc(C)c(CC(=O)C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000892496117 940063023 /nfs/dbraw/zinc/06/30/23/940063023.db2.gz WFWJBIBVPZSOMA-MRXNPFEDSA-N 0 3 369.490 3.993 20 30 FHEDHN CSc1ccc(C)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065930692 940078751 /nfs/dbraw/zinc/07/87/51/940078751.db2.gz ODXZRYKXIVZYGZ-UHFFFAOYSA-N 0 3 367.518 3.793 20 30 FHEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000376003166 940171234 /nfs/dbraw/zinc/17/12/34/940171234.db2.gz JESBDZYTYDYTTR-KBXCAEBGSA-N 0 3 357.841 3.536 20 30 FHEDHN CC[C@](C)(C#N)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000376074168 940273845 /nfs/dbraw/zinc/27/38/45/940273845.db2.gz LBSYFXGORJEUFO-WIYYLYMNSA-N 0 3 365.481 3.517 20 30 FHEDHN CCc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000177596540 940301195 /nfs/dbraw/zinc/30/11/95/940301195.db2.gz FXHNUOIHKDDACB-OAHLLOKOSA-N 0 3 371.780 3.772 20 30 FHEDHN Cc1ccc2[nH]cc(CCC(=O)C(C#N)C(=O)NC3CCCCC3)c2c1 ZINC000177598203 940301998 /nfs/dbraw/zinc/30/19/98/940301998.db2.gz ACBWARHXCVDFHM-SFHVURJKSA-N 0 3 351.450 3.567 20 30 FHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccn(C2CCCC2)n1 ZINC000177687082 940357726 /nfs/dbraw/zinc/35/77/26/940357726.db2.gz VLSHPFGRIXYXFJ-OAHLLOKOSA-N 0 3 356.813 3.613 20 30 FHEDHN N#CC(C(=O)CSc1cccc2cccc(Cl)c21)C(=O)N1CCCC1 ZINC000124670758 945318124 /nfs/dbraw/zinc/31/81/24/945318124.db2.gz OTLGBVLZCZRDBC-AWEZNQCLSA-N 0 3 372.877 3.917 20 30 FHEDHN C[C@@H](Cn1cc(Br)ccc1=O)N[C@H](CCC#N)c1ccccc1 ZINC000414096239 940498691 /nfs/dbraw/zinc/49/86/91/940498691.db2.gz ICHVEPSJJBWZCW-WMLDXEAASA-N 0 3 374.282 3.634 20 30 FHEDHN N#Cc1ccc([C@H](N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C(N)=O)cc1 ZINC000581874551 940628925 /nfs/dbraw/zinc/62/89/25/940628925.db2.gz HVWCIDHLRQCGOF-NEWSRXKRSA-N 0 3 353.853 3.664 20 30 FHEDHN CN1CC[C@H](NCc2ccc(Br)cc2C#N)[C@H]1c1ccccc1 ZINC000582575248 940732159 /nfs/dbraw/zinc/73/21/59/940732159.db2.gz QFVQAEHSKIVYLG-RBUKOAKNSA-N 0 3 370.294 3.856 20 30 FHEDHN CC(C)(C)CCN1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000440255397 945346373 /nfs/dbraw/zinc/34/63/73/945346373.db2.gz MOJWMEXPPHWDIC-LJQANCHMSA-N 0 3 356.514 3.795 20 30 FHEDHN CS(=O)(=O)c1ccccc1CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000414236067 940812909 /nfs/dbraw/zinc/81/29/09/940812909.db2.gz KHXRWGUQKFQMFM-UHFFFAOYSA-N 0 3 368.502 3.584 20 30 FHEDHN C[C@@H](c1cccc(O)c1)N(C)CC#CCN(C)[C@@H](C)c1cccc(O)c1 ZINC000472563113 940822662 /nfs/dbraw/zinc/82/26/62/940822662.db2.gz IRGKRYBNIXOLEF-ROUUACIJSA-N 0 3 352.478 3.787 20 30 FHEDHN C=CCN1CCC(NC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000170949094 940927862 /nfs/dbraw/zinc/92/78/62/940927862.db2.gz YSRMWXPUIZSCLX-CYBMUJFWSA-N 0 3 355.309 3.939 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C/C=C/c1ccccc1F ZINC000175912146 940946847 /nfs/dbraw/zinc/94/68/47/940946847.db2.gz CMONRXUZYRFQAK-UXBLZVDNSA-N 0 3 365.452 3.691 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659032898 941034502 /nfs/dbraw/zinc/03/45/02/941034502.db2.gz SPGGKBFMSUHVQF-GOSISDBHSA-N 0 3 357.479 3.629 20 30 FHEDHN Cn1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1-c1ccccc1 ZINC000659053277 941055072 /nfs/dbraw/zinc/05/50/72/941055072.db2.gz OOKAKPAMYJRWDX-KRWDZBQOSA-N 0 3 359.433 3.500 20 30 FHEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000177393207 941120823 /nfs/dbraw/zinc/12/08/23/941120823.db2.gz IJODSBFRKRCVQE-QGZVFWFLSA-N 0 3 367.474 3.686 20 30 FHEDHN C=CCC1(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)CCC1 ZINC000188073296 941341171 /nfs/dbraw/zinc/34/11/71/941341171.db2.gz AFJCFEJPOHPGMH-LJQANCHMSA-N 0 3 369.509 3.538 20 30 FHEDHN CCN1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549112862 941347509 /nfs/dbraw/zinc/34/75/09/941347509.db2.gz MAHQABHOHMENHB-CTNGQTDRSA-N 0 3 358.407 3.881 20 30 FHEDHN N#Cc1ccccc1COc1cccc(CN[C@H]2CCCC(F)(F)[C@@H]2O)c1 ZINC000414540713 941375918 /nfs/dbraw/zinc/37/59/18/941375918.db2.gz UZPNCRUSNITAIP-VQTJNVASSA-N 0 3 372.415 3.776 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)CC1 ZINC000433640879 941817584 /nfs/dbraw/zinc/81/75/84/941817584.db2.gz BWTXQBPETLAUEH-MRXNPFEDSA-N 0 3 373.394 3.611 20 30 FHEDHN C[C@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)CN1 ZINC000415803534 942060384 /nfs/dbraw/zinc/06/03/84/942060384.db2.gz JSTYSYGNIRTCBK-GJZGRUSLSA-N 0 3 366.490 3.924 20 30 FHEDHN C=C(C)COc1cc(CN2CCC(c3ccncn3)CC2)ccc1OC ZINC000414471388 942199464 /nfs/dbraw/zinc/19/94/64/942199464.db2.gz OXTPVESGEJGYDZ-UHFFFAOYSA-N 0 3 353.466 3.820 20 30 FHEDHN CO[C@@]1(C)CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000280626885 942216740 /nfs/dbraw/zinc/21/67/40/942216740.db2.gz XAYBSSSDRXTFTG-RXVVDRJESA-N 0 3 357.498 3.521 20 30 FHEDHN C[C@H](CN1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501100660 942307528 /nfs/dbraw/zinc/30/75/28/942307528.db2.gz JMQASFFPRSOPGD-OAHLLOKOSA-N 0 3 374.410 3.898 20 30 FHEDHN C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000180036396 942316823 /nfs/dbraw/zinc/31/68/23/942316823.db2.gz LEHIPDWCZXVBDB-IAGOWNOFSA-N 0 3 366.465 3.619 20 30 FHEDHN N#CCOc1cc(F)ccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000180321880 942352880 /nfs/dbraw/zinc/35/28/80/942352880.db2.gz XDQJCDFXECKYQF-UHFFFAOYSA-N 0 3 364.424 3.676 20 30 FHEDHN CCN1CCc2c(cccc2NC(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000378174357 942355155 /nfs/dbraw/zinc/35/51/55/942355155.db2.gz KAFYTTOASDGQND-DHZHZOJOSA-N 0 3 361.445 3.619 20 30 FHEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccc(F)cc1 ZINC000041494463 942404699 /nfs/dbraw/zinc/40/46/99/942404699.db2.gz SSTVMNCWIXUNSB-HNNXBMFYSA-N 0 3 359.364 3.686 20 30 FHEDHN C=CCC1(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000424868081 942414731 /nfs/dbraw/zinc/41/47/31/942414731.db2.gz SBQUOVYTHKVTID-UHFFFAOYSA-N 0 3 350.547 3.718 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc2cccc(F)c2o1 ZINC000122895206 942456212 /nfs/dbraw/zinc/45/62/12/942456212.db2.gz JVNKOTIVRLGJCZ-ZDUSSCGKSA-N 0 3 366.348 3.932 20 30 FHEDHN N#Cc1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000366856346 942459364 /nfs/dbraw/zinc/45/93/64/942459364.db2.gz HUVLORLJCJIDRF-UHFFFAOYSA-N 0 3 368.359 3.684 20 30 FHEDHN N#Cc1ccc(Cl)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000424999885 942481178 /nfs/dbraw/zinc/48/11/78/942481178.db2.gz AIGXYBXBTUIYOT-FXAWDEMLSA-N 0 3 365.864 3.558 20 30 FHEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)c(Br)c1 ZINC000502512766 942506912 /nfs/dbraw/zinc/50/69/12/942506912.db2.gz SATVBCQGIXFMHE-ZIAGYGMSSA-N 0 3 359.214 3.961 20 30 FHEDHN N#Cc1cccc(OCCN[C@H]2CCOc3c(Br)cccc32)c1 ZINC000501561719 942550764 /nfs/dbraw/zinc/55/07/64/942550764.db2.gz NXSIJUNUOBMOJV-KRWDZBQOSA-N 0 3 373.250 3.813 20 30 FHEDHN COc1cc(C#N)ccc1CN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000513751038 942656543 /nfs/dbraw/zinc/65/65/43/942656543.db2.gz VIZHGGVXUKKBAD-RBUKOAKNSA-N 0 3 358.388 3.935 20 30 FHEDHN C=CCN(C(=O)N[C@@H](C)c1ccncc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363821195 942753215 /nfs/dbraw/zinc/75/32/15/942753215.db2.gz LTXDIMRUTPGNRF-RXVVDRJESA-N 0 3 364.493 3.615 20 30 FHEDHN Cc1sc(NC(=O)CN[C@H](c2ccccc2)[C@H]2CCOC2)c(C#N)c1C ZINC000378504943 942839181 /nfs/dbraw/zinc/83/91/81/942839181.db2.gz CIOIMTNCHBMFLM-QFBILLFUSA-N 0 3 369.490 3.543 20 30 FHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271964655 943075682 /nfs/dbraw/zinc/07/56/82/943075682.db2.gz SINICYYCEYTHLV-IRLDBZIGSA-N 0 3 371.484 3.998 20 30 FHEDHN COc1cc2c(cc1CNCCSCc1ccccc1C#N)O[C@H](C)C2 ZINC000514517821 943078020 /nfs/dbraw/zinc/07/80/20/943078020.db2.gz ZXXMNWAGDFPEHH-OAHLLOKOSA-N 0 3 368.502 3.913 20 30 FHEDHN COc1ccc([C@@H](CCC#N)N[C@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000363937927 943100630 /nfs/dbraw/zinc/10/06/30/943100630.db2.gz IZUNBYWMVTVFGQ-QFBILLFUSA-N 0 3 370.884 3.957 20 30 FHEDHN CCS[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000503469097 943203909 /nfs/dbraw/zinc/20/39/09/943203909.db2.gz YMMFVUNESSZRKZ-DJSGYFEHSA-N 0 3 363.552 3.699 20 30 FHEDHN COc1ccc([C@@H](CNc2cccc(Cl)c2C#N)N(C)C)cc1OC ZINC000514767806 943278979 /nfs/dbraw/zinc/27/89/79/943278979.db2.gz WCJHBPROWCQYQE-QGZVFWFLSA-N 0 3 359.857 3.944 20 30 FHEDHN C=CC[C@H]1CCCN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)C1 ZINC000664332036 943333342 /nfs/dbraw/zinc/33/33/42/943333342.db2.gz BHAPKEABMHWWEL-IBGZPJMESA-N 0 3 370.541 3.957 20 30 FHEDHN C=CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1c[nH]c2ccccc12 ZINC001269959629 943419279 /nfs/dbraw/zinc/41/92/79/943419279.db2.gz HVALMDGVJXEFTB-YTQUADARSA-N 0 3 351.494 3.598 20 30 FHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000435735730 943588785 /nfs/dbraw/zinc/58/87/85/943588785.db2.gz PNSKWAOMLGMHJN-YVEFUNNKSA-N 0 3 367.280 3.645 20 30 FHEDHN CCOc1ccc(Oc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)cc1 ZINC000424079310 943712714 /nfs/dbraw/zinc/71/27/14/943712714.db2.gz RDPKQJOMRARDLR-LJQANCHMSA-N 0 3 353.422 3.837 20 30 FHEDHN Cc1ccc(-n2c3ccc(C)cc3nc2NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424124101 943744330 /nfs/dbraw/zinc/74/43/30/943744330.db2.gz LVNSTJCFXUCJMN-KRWDZBQOSA-N 0 3 361.449 3.602 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000424140446 943748159 /nfs/dbraw/zinc/74/81/59/943748159.db2.gz OGLPBFJXRRXBPD-FQEVSTJZSA-N 0 3 363.461 3.566 20 30 FHEDHN Clc1ccc(C#CCN2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000506047647 943795037 /nfs/dbraw/zinc/79/50/37/943795037.db2.gz OCOIJFJGKLHKLB-UHFFFAOYSA-N 0 3 360.929 3.516 20 30 FHEDHN N#Cc1ccc(CN[C@@H]2CCN(c3cccc(Br)c3)C2)c(F)c1 ZINC000515318782 943798376 /nfs/dbraw/zinc/79/83/76/943798376.db2.gz MDPAIFRCLCFXDY-MRXNPFEDSA-N 0 3 374.257 3.828 20 30 FHEDHN C=CCN1CC[C@@H](N(C)[C@@H](CC)c2ccc(Br)cc2)C1=O ZINC000500017303 943955722 /nfs/dbraw/zinc/95/57/22/943955722.db2.gz UHWGZJLORHMRLQ-JKSUJKDBSA-N 0 3 351.288 3.619 20 30 FHEDHN C=CCC1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CCOCC1 ZINC000424626967 944018506 /nfs/dbraw/zinc/01/85/06/944018506.db2.gz NEAKJOLFVGKYIA-HXUWFJFHSA-N 0 3 356.510 3.621 20 30 FHEDHN C=CC[C@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000364196843 944033087 /nfs/dbraw/zinc/03/30/87/944033087.db2.gz SBGQBHPZWJACRO-FKBYEOEOSA-N 0 3 363.505 3.893 20 30 FHEDHN C[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990243 944046099 /nfs/dbraw/zinc/04/60/99/944046099.db2.gz KDHMGQMIOYJFAJ-YESZJQIVSA-N 0 3 362.477 3.678 20 30 FHEDHN CCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000515626814 944058908 /nfs/dbraw/zinc/05/89/08/944058908.db2.gz ALOBCACGQVHZNG-IBGZPJMESA-N 0 3 366.440 3.826 20 30 FHEDHN N#CC1(CNC2CCN(Cc3ccccc3Br)CC2)CCC1 ZINC000418141799 944204424 /nfs/dbraw/zinc/20/44/24/944204424.db2.gz LWCDHFIHIWGLGU-UHFFFAOYSA-N 0 3 362.315 3.697 20 30 FHEDHN COc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc2c1OCCO2 ZINC000418148847 944211260 /nfs/dbraw/zinc/21/12/60/944211260.db2.gz UEYWRTZPCHBONH-GOSISDBHSA-N 0 3 350.418 3.505 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000517341265 944219104 /nfs/dbraw/zinc/21/91/04/944219104.db2.gz JXWYSALUIAJNNI-TZIWHRDSSA-N 0 3 355.526 3.738 20 30 FHEDHN CSc1ccc(OC[C@@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425528938 944239372 /nfs/dbraw/zinc/23/93/72/944239372.db2.gz AAPMZVNBMBDCDL-YJBOKZPZSA-N 0 3 356.491 3.713 20 30 FHEDHN Cc1ccc(C#N)c(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000500296746 944443194 /nfs/dbraw/zinc/44/31/94/944443194.db2.gz OJBRFCXLYQVDAB-QGZVFWFLSA-N 0 3 360.383 3.967 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(COC(C)(C)C)c2)CC1 ZINC000518510511 944455578 /nfs/dbraw/zinc/45/55/78/944455578.db2.gz SKSLBZGSWYHUJE-UHFFFAOYSA-N 0 3 373.541 3.841 20 30 FHEDHN N#CCOc1cccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000048514149 944473079 /nfs/dbraw/zinc/47/30/79/944473079.db2.gz LTIBJIBVSVVNMK-HXUWFJFHSA-N 0 3 364.449 3.548 20 30 FHEDHN Cc1cc(OCC(=O)C(C#N)C(=O)NCc2ccccc2)ccc1C(C)C ZINC000126672361 944534498 /nfs/dbraw/zinc/53/44/98/944534498.db2.gz MXUWXGGEXXKPFQ-HXUWFJFHSA-N 0 3 364.445 3.523 20 30 FHEDHN C=CCOc1ccccc1CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473057028 944587342 /nfs/dbraw/zinc/58/73/42/944587342.db2.gz JIFSLXRNQARDCY-UHFFFAOYSA-N 0 3 355.453 3.960 20 30 FHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000516298865 944682766 /nfs/dbraw/zinc/68/27/66/944682766.db2.gz ZBHMVEHHZMYBHL-SFHVURJKSA-N 0 3 356.510 3.626 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc3cc(OC)ccc3c2)CC1 ZINC000517994688 944915513 /nfs/dbraw/zinc/91/55/13/944915513.db2.gz XCXLVBKTZLLAAG-UHFFFAOYSA-N 0 3 367.493 3.688 20 30 FHEDHN C=CCOc1cccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000473069063 945036283 /nfs/dbraw/zinc/03/62/83/945036283.db2.gz NTOUVJXQCMDUAU-UHFFFAOYSA-N 0 3 355.453 3.960 20 30 FHEDHN C[C@H](NC(=O)CN1CCC[C@@H](c2nc[nH]n2)C1)c1ccc2c(c1)CCCC2 ZINC000330136138 945372180 /nfs/dbraw/zinc/37/21/80/945372180.db2.gz NCAPHNMJQVZSDV-HNAYVOBHSA-N 0 3 367.497 3.581 20 30 FHEDHN CC1(C)CN(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330165797 945383258 /nfs/dbraw/zinc/38/32/58/945383258.db2.gz XHOTZXSGTMABKG-KNQAVFIVSA-N 0 3 372.509 3.681 20 30 FHEDHN [O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@H]1CCCc2sc(Cl)cc21 ZINC000330226829 945412047 /nfs/dbraw/zinc/41/20/47/945412047.db2.gz UPPKPNXJBTVWPC-KOLCDFICSA-N 0 3 350.875 3.563 20 30 FHEDHN [O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@H]1CCCc2sc(Cl)cc21 ZINC000330226829 945412058 /nfs/dbraw/zinc/41/20/58/945412058.db2.gz UPPKPNXJBTVWPC-KOLCDFICSA-N 0 3 350.875 3.563 20 30 FHEDHN O=C(Nc1ccc2nnc(C3CCC3)n2c1)[C@H]1CCCN1C1CCCC1 ZINC000330310164 945530418 /nfs/dbraw/zinc/53/04/18/945530418.db2.gz NFEOQEMYICXSKL-QGZVFWFLSA-N 0 3 353.470 3.992 20 30 FHEDHN C[C@H](Sc1ccccc1Cl)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125270417 945699074 /nfs/dbraw/zinc/69/90/74/945699074.db2.gz JLNQGMVIVNQRHH-RYUDHWBXSA-N 0 3 359.838 3.563 20 30 FHEDHN C=CC[C@H]1CCCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000661100441 945730399 /nfs/dbraw/zinc/73/03/99/945730399.db2.gz AYFHDJFXPVOVSI-OOHWJJMZSA-N 0 3 373.463 3.789 20 30 FHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(-c2ccc(OC)cc2OC)no1 ZINC000661116376 945748532 /nfs/dbraw/zinc/74/85/32/945748532.db2.gz JIQSEXPKWUVFCZ-YOEHRIQHSA-N 0 3 357.454 3.978 20 30 FHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000661117385 945750060 /nfs/dbraw/zinc/75/00/60/945750060.db2.gz QMAGWPRGNRHRBH-ZFWWWQNUSA-N 0 3 357.454 3.577 20 30 FHEDHN CCN1CC[C@H](NCc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519830789 945791715 /nfs/dbraw/zinc/79/17/15/945791715.db2.gz AQQOLDDNZGATKS-RBUKOAKNSA-N 0 3 358.848 3.671 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCOc2ccccc2C)c1 ZINC000127148593 945850789 /nfs/dbraw/zinc/85/07/89/945850789.db2.gz GAHLPGUTXOBFLS-SFHVURJKSA-N 0 3 366.417 3.510 20 30 FHEDHN C[C@@H]1CN(CCCCNc2cccc(Br)c2C#N)C[C@H](C)O1 ZINC000439965810 945904192 /nfs/dbraw/zinc/90/41/92/945904192.db2.gz HKDZUCSRLFOQAY-OKILXGFUSA-N 0 3 366.303 3.622 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000444208966 946071026 /nfs/dbraw/zinc/07/10/26/946071026.db2.gz YWVAZZXDFOTQAL-QGZVFWFLSA-N 0 3 369.431 3.938 20 30 FHEDHN C#Cc1ccc(C(=O)N(CCC)[C@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000728821570 946073982 /nfs/dbraw/zinc/07/39/82/946073982.db2.gz AKSVCYAMPSXEIA-QFIPXVFZSA-N 0 3 361.489 3.580 20 30 FHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000661419521 946088889 /nfs/dbraw/zinc/08/88/89/946088889.db2.gz RJWVXWSCOLERFR-RTWAWAEBSA-N 0 3 370.541 3.728 20 30 FHEDHN CC(C)N1CCN(c2cccc(NC(=O)C3(C#N)CCCCC3)c2)CC1 ZINC000118950074 946100210 /nfs/dbraw/zinc/10/02/10/946100210.db2.gz DBVIBQPVWFXLSA-UHFFFAOYSA-N 0 3 354.498 3.630 20 30 FHEDHN N#Cc1ccc(CCC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000075630877 946101760 /nfs/dbraw/zinc/10/17/60/946101760.db2.gz BYJOQJWBFQUBCV-QFIPXVFZSA-N 0 3 361.489 3.834 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000108931841 946329515 /nfs/dbraw/zinc/32/95/15/946329515.db2.gz BWJCKBPSUDWPKP-UHFFFAOYSA-N 0 3 366.436 3.688 20 30 FHEDHN C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823894137 946504282 /nfs/dbraw/zinc/50/42/82/946504282.db2.gz INVMOVFQOYIQIA-QRWLVFNGSA-N 0 3 363.465 3.511 20 30 FHEDHN C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823894137 946504288 /nfs/dbraw/zinc/50/42/88/946504288.db2.gz INVMOVFQOYIQIA-QRWLVFNGSA-N 0 3 363.465 3.511 20 30 FHEDHN C=CCN(CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)C(C)(C)C ZINC000661759955 946598837 /nfs/dbraw/zinc/59/88/37/946598837.db2.gz MWMCOIUCXNIZHY-KRWDZBQOSA-N 0 3 360.498 3.654 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2ccnc(SCC(F)(F)F)c2)CC1 ZINC000112636579 946708696 /nfs/dbraw/zinc/70/86/96/946708696.db2.gz PULUNWVOZSDMAR-UHFFFAOYSA-N 0 3 373.444 3.506 20 30 FHEDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)c1 ZINC000028924913 946829426 /nfs/dbraw/zinc/82/94/26/946829426.db2.gz HLOXOGFBVZZACI-MRXNPFEDSA-N 0 3 350.466 3.846 20 30 FHEDHN N#CC(C(=O)CSCc1cccc(Cl)c1)C(=O)NC1CCCCC1 ZINC000127281674 946834146 /nfs/dbraw/zinc/83/41/46/946834146.db2.gz KVLSFOMOIXXGEC-MRXNPFEDSA-N 0 3 364.898 3.731 20 30 FHEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475311613 946864220 /nfs/dbraw/zinc/86/42/20/946864220.db2.gz IWHOIGJDENNTBP-UHFFFAOYSA-N 0 3 367.468 3.831 20 30 FHEDHN CC(=O)N1CC[C@H](N[C@H](C)c2ccc(C#N)cc2)c2ccc(F)cc2C1 ZINC000184513531 946925119 /nfs/dbraw/zinc/92/51/19/946925119.db2.gz PUJQNUJIBPXVPA-SZNDQCEHSA-N 0 3 351.425 3.841 20 30 FHEDHN C#CCN(CC[C@@H]1CCOC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000783567453 946934648 /nfs/dbraw/zinc/93/46/48/946934648.db2.gz PKZJGZFRJVBXKG-RHSMWYFYSA-N 0 3 364.283 3.635 20 30 FHEDHN C[C@@H](N[C@H]1CCC(=O)NC12CCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000328687968 946987746 /nfs/dbraw/zinc/98/77/46/946987746.db2.gz HJXVIDCPQBBRQA-ABAIWWIYSA-N 0 3 372.494 3.716 20 30 FHEDHN CC(C)(C)c1ccccc1NC(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000328974965 947130059 /nfs/dbraw/zinc/13/00/59/947130059.db2.gz PUBOBTCAQWEYBH-KPLVRAHFSA-N 0 3 374.525 3.824 20 30 FHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)CC1 ZINC000445090174 947503354 /nfs/dbraw/zinc/50/33/54/947503354.db2.gz JDDDGDSKIMFKRE-NRFANRHFSA-N 0 3 361.489 3.999 20 30 FHEDHN C=C(C)COc1cc(CNCc2ccnc(N3CCCC3)c2)ccc1OC ZINC000057961496 948102152 /nfs/dbraw/zinc/10/21/52/948102152.db2.gz ZTTGQPUEBQJCKB-UHFFFAOYSA-N 0 3 367.493 3.935 20 30 FHEDHN C=C(C)CN1CCC(Nc2nc(C3CC3)ncc2Br)CC1 ZINC000663567970 948222390 /nfs/dbraw/zinc/22/23/90/948222390.db2.gz OIPLFKKSPGKMSQ-UHFFFAOYSA-N 0 3 351.292 3.569 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000520693784 948596548 /nfs/dbraw/zinc/59/65/48/948596548.db2.gz UEAHKUCLXWHROD-UHFFFAOYSA-N 0 3 361.917 3.711 20 30 FHEDHN CC1CCN([C@H](CNC(=O)c2ccc(C#N)cc2)c2cccs2)CC1 ZINC000015692119 220160594 /nfs/dbraw/zinc/16/05/94/220160594.db2.gz AAFMCHZWFMNVMN-GOSISDBHSA-N 0 3 353.491 3.823 20 30 FHEDHN N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000061210553 136132468 /nfs/dbraw/zinc/13/24/68/136132468.db2.gz UPZYCEDYLJHALC-UHFFFAOYSA-N 0 3 368.440 3.583 20 30 FHEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(Cc2nccs2)CC1 ZINC000601743765 567833542 /nfs/dbraw/zinc/83/35/42/567833542.db2.gz SDXQMUJVIBUKCV-SFHVURJKSA-N 0 3 353.491 3.697 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(OCC(F)(F)F)cc1 ZINC000602506978 567988776 /nfs/dbraw/zinc/98/87/76/567988776.db2.gz MGARZHNUFFTIHP-AWEZNQCLSA-N 0 3 356.388 3.816 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000602507021 567988818 /nfs/dbraw/zinc/98/88/18/567988818.db2.gz NHTGMMPIQXIKOZ-MRXNPFEDSA-N 0 3 367.449 3.720 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000602562688 567991867 /nfs/dbraw/zinc/99/18/67/567991867.db2.gz XZWPUEZDYKDZME-MRXNPFEDSA-N 0 3 358.482 3.830 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000602578991 567993491 /nfs/dbraw/zinc/99/34/91/567993491.db2.gz QKFIAHUVTIDOHA-SRVKXCTJSA-N 0 3 374.432 3.939 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000602581579 567993783 /nfs/dbraw/zinc/99/37/83/567993783.db2.gz USEASPKQESMWOK-HZPDHXFCSA-N 0 3 354.454 3.529 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000602589357 567994726 /nfs/dbraw/zinc/99/47/26/567994726.db2.gz QIPYETCNKSDHIJ-OAHLLOKOSA-N 0 3 350.384 3.745 20 30 FHEDHN Cc1cc(CN[C@H](C)CC2(C#N)CCOCC2)ccc1Br ZINC000602687706 568011417 /nfs/dbraw/zinc/01/14/17/568011417.db2.gz AAOXAEWGOVVGJH-CQSZACIVSA-N 0 3 351.288 3.946 20 30 FHEDHN C[C@@H](OC[C@@H](O)CNCC#Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000521427686 568018652 /nfs/dbraw/zinc/01/86/52/568018652.db2.gz ONBRWXLZGSMMEX-QRWLVFNGSA-N 0 3 361.844 3.559 20 30 FHEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000568418155 568032180 /nfs/dbraw/zinc/03/21/80/568032180.db2.gz KBKNHEZQPALJAD-GOSISDBHSA-N 0 3 356.857 3.945 20 30 FHEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NCCN1CCCC[C@@H]1CC ZINC000605988832 568067290 /nfs/dbraw/zinc/06/72/90/568067290.db2.gz QLGGWQIPFQCPRK-IBGZPJMESA-N 0 3 359.514 3.657 20 30 FHEDHN N#Cc1cc(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)ccc1F ZINC000481621931 568068455 /nfs/dbraw/zinc/06/84/55/568068455.db2.gz GVTGYFMOQSKWLT-AWEZNQCLSA-N 0 3 372.469 3.793 20 30 FHEDHN CS(=O)(=O)Cc1ccccc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000481655004 568081607 /nfs/dbraw/zinc/08/16/07/568081607.db2.gz CLCMFFGMTOUUJI-NRFANRHFSA-N 0 3 368.502 3.660 20 30 FHEDHN CC(C)(CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCc2ccccc2C1 ZINC000481712846 568090593 /nfs/dbraw/zinc/09/05/93/568090593.db2.gz OOHHNYUKRCYYKH-UHFFFAOYSA-N 0 3 366.440 3.656 20 30 FHEDHN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CC1CCN(C)CC1 ZINC000291570722 568210328 /nfs/dbraw/zinc/21/03/28/568210328.db2.gz ZFIAEAMTHPTNQU-UHFFFAOYSA-N 0 3 364.449 3.724 20 30 FHEDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000569000701 568266134 /nfs/dbraw/zinc/26/61/34/568266134.db2.gz MZLQGOUWMJYURA-NHYWBVRUSA-N 0 3 352.251 3.523 20 30 FHEDHN CCCc1nc(C)c(CNC2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000291718250 568268529 /nfs/dbraw/zinc/26/85/29/568268529.db2.gz MESHKOVTMUFTSU-UHFFFAOYSA-N 0 3 352.482 3.561 20 30 FHEDHN N#Cc1ccc(CNCCOc2ccc(Cl)cn2)c(C(F)(F)F)c1 ZINC000569100890 568275576 /nfs/dbraw/zinc/27/55/76/568275576.db2.gz NWJXAVJMTLWRQY-UHFFFAOYSA-N 0 3 355.747 3.794 20 30 FHEDHN CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000569040058 568278227 /nfs/dbraw/zinc/27/82/27/568278227.db2.gz SKRIQAAPTVOYAV-UHFFFAOYSA-N 0 3 368.456 3.726 20 30 FHEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC#Cc2ccccc2)CC1 ZINC000604785691 568366512 /nfs/dbraw/zinc/36/65/12/568366512.db2.gz VHBZIHRURMUFNG-IBGZPJMESA-N 0 3 361.489 3.563 20 30 FHEDHN CC(=O)Nc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000181993409 568371387 /nfs/dbraw/zinc/37/13/87/568371387.db2.gz GAQUQLJPLIOYBR-UHFFFAOYSA-N 0 3 366.440 3.732 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)F)cc1 ZINC000569648631 568411512 /nfs/dbraw/zinc/41/15/12/568411512.db2.gz BEQDOVVJOXDGTQ-UHFFFAOYSA-N 0 3 373.447 3.766 20 30 FHEDHN CN1CC[C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1cccs1 ZINC000365452070 568716473 /nfs/dbraw/zinc/71/64/73/568716473.db2.gz CFIIXZFEPAKIFD-PXAZEXFGSA-N 0 3 358.442 3.573 20 30 FHEDHN COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000050108092 568726963 /nfs/dbraw/zinc/72/69/63/568726963.db2.gz IETPPUZACILTEV-IBGZPJMESA-N 0 3 364.449 3.525 20 30 FHEDHN N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCN(C2CCCC2)CC1 ZINC001165033141 721862453 /nfs/dbraw/zinc/86/24/53/721862453.db2.gz DLSRKLFJVODATR-UHFFFAOYSA-N 0 3 358.848 3.964 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000178770501 937099572 /nfs/dbraw/zinc/09/95/72/937099572.db2.gz DHPXAIKNYVBILG-GOSISDBHSA-N 0 3 351.425 3.857 20 30 FHEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc(OC4CCCC4)c3)C2)nc1 ZINC000430175582 927532099 /nfs/dbraw/zinc/53/20/99/927532099.db2.gz CUKYXMRRMZIXNU-NRFANRHFSA-N 0 3 363.461 3.928 20 30 FHEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc(-c4ccccn4)c3)C2)nc1 ZINC000430185820 927665648 /nfs/dbraw/zinc/66/56/48/927665648.db2.gz KIUIPQPZBUSMPH-HXUWFJFHSA-N 0 3 356.429 3.669 20 30 FHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000120256769 927910677 /nfs/dbraw/zinc/91/06/77/927910677.db2.gz APCAGOOVTCOZAK-CQSZACIVSA-N 0 3 365.389 3.910 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000275692872 929925072 /nfs/dbraw/zinc/92/50/72/929925072.db2.gz POHPRTIGULIFMW-MRXNPFEDSA-N 0 3 358.445 3.842 20 30 FHEDHN C[C@@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)c1cccc(C#N)c1 ZINC000610351636 930089167 /nfs/dbraw/zinc/08/91/67/930089167.db2.gz BRHLTNIGYARQLT-DYESRHJHSA-N 0 3 362.477 3.583 20 30 FHEDHN Cc1nc(-c2ccc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)cc2)n[nH]1 ZINC000134154440 930316946 /nfs/dbraw/zinc/31/69/46/930316946.db2.gz OBENTWMADOWREG-CQSZACIVSA-N 0 3 371.322 3.684 20 30 FHEDHN CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000536012724 937410187 /nfs/dbraw/zinc/41/01/87/937410187.db2.gz LVRMORRPXCOPLT-QGZVFWFLSA-N 0 3 356.857 3.506 20 30 FHEDHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000610408274 930414539 /nfs/dbraw/zinc/41/45/39/930414539.db2.gz QWOPQGGHYIXZGU-SFHVURJKSA-N 0 3 364.493 3.701 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(OC)cc1 ZINC000580535722 930822779 /nfs/dbraw/zinc/82/27/79/930822779.db2.gz VGMXCCMIYZCZCR-UHFFFAOYSA-N 0 3 372.538 3.793 20 30 FHEDHN N#CCc1ccccc1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000580625911 930939482 /nfs/dbraw/zinc/93/94/82/930939482.db2.gz ISTPLJCMFMOENN-GOSISDBHSA-N 0 3 369.415 3.849 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(S(=O)(=O)CC)cc2)c([O-])c1 ZINC000588388382 931136423 /nfs/dbraw/zinc/13/64/23/931136423.db2.gz VVBPNZBQBDPBCV-QNGOZBTKSA-N 0 3 374.506 3.651 20 30 FHEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000068883342 931169546 /nfs/dbraw/zinc/16/95/46/931169546.db2.gz VRHXFNBVSUITJQ-OAQYLSRUSA-N 0 3 362.477 3.559 20 30 FHEDHN Cc1cccc(OCCCCC(=O)C(C#N)C(=O)NCc2ccccc2)c1 ZINC000121253886 931348411 /nfs/dbraw/zinc/34/84/11/931348411.db2.gz QQRKDGNYEWUSTN-FQEVSTJZSA-N 0 3 364.445 3.569 20 30 FHEDHN CC(C)(C)[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000156880868 931668716 /nfs/dbraw/zinc/66/87/16/931668716.db2.gz FJBJWRQVBGGXJD-LJQANCHMSA-N 0 3 356.491 3.709 20 30 FHEDHN C[C@@H](N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000126416863 931812668 /nfs/dbraw/zinc/81/26/68/931812668.db2.gz NHSYYLKBICYNKL-IAGOWNOFSA-N 0 3 362.477 3.836 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccccc1OC ZINC000684255178 932043971 /nfs/dbraw/zinc/04/39/71/932043971.db2.gz MQWFBYLJCAOWJF-UHFFFAOYSA-N 0 3 372.538 3.793 20 30 FHEDHN Cc1cc(C)n([C@@H](C)CC(=O)NCC2(N3CCSCC3)CCCC2)n1 ZINC000328795078 932116514 /nfs/dbraw/zinc/11/65/14/932116514.db2.gz SYFRHDKJBLJRQE-KRWDZBQOSA-N 0 3 364.559 3.769 20 30 FHEDHN CCN1CCN(c2ccc(N=Cc3cccc(OC)c3O)c(C)c2)CC1 ZINC000255324569 932266576 /nfs/dbraw/zinc/26/65/76/932266576.db2.gz WQJZVKWMUDGXEC-UHFFFAOYSA-N 0 3 353.466 3.602 20 30 FHEDHN N#Cc1ccc([C@@H](O)CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000156311517 932355680 /nfs/dbraw/zinc/35/56/80/932355680.db2.gz UPTGJSZJTCFFRV-SFTDATJTSA-N 0 3 370.880 3.691 20 30 FHEDHN COc1cccc([C@H](C/N=C\c2cccc(OC)c2O)N2CCCC2)c1 ZINC000255354802 932448057 /nfs/dbraw/zinc/44/80/57/932448057.db2.gz NNGYQPYHKBKHQU-MAGMUUGSSA-N 0 3 354.450 3.665 20 30 FHEDHN N#CC(C(=O)Nc1ccccn1)c1nc(-c2c(F)cccc2F)cs1 ZINC000155746107 932602729 /nfs/dbraw/zinc/60/27/29/932602729.db2.gz NGMFTNIFZYAGSR-JTQLQIEISA-N 0 3 356.357 3.729 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000083655144 932930858 /nfs/dbraw/zinc/93/08/58/932930858.db2.gz GCXBHTKWHWSBHC-UHFFFAOYSA-N 0 3 359.901 3.789 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)CC1 ZINC000471807757 932989676 /nfs/dbraw/zinc/98/96/76/932989676.db2.gz CURKCXULYZKUNR-LJQANCHMSA-N 0 3 355.526 3.843 20 30 FHEDHN N#Cc1ccccc1OCCN1CC[C@H](OCCCc2ccccc2)C1 ZINC000430927524 933415537 /nfs/dbraw/zinc/41/55/37/933415537.db2.gz REUZCWMCIAAMDL-NRFANRHFSA-N 0 3 350.462 3.661 20 30 FHEDHN COc1ccc(O)c(/C=N/C[C@@H](c2ccccc2OC)N2CCCC2)c1 ZINC000022769447 934355695 /nfs/dbraw/zinc/35/56/95/934355695.db2.gz UWBZDHNKMKEKGI-KWJZBXMYSA-N 0 3 354.450 3.665 20 30 FHEDHN Cc1noc(C[C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2)n1 ZINC000277115989 934495121 /nfs/dbraw/zinc/49/51/21/934495121.db2.gz NDIQLJRQWWHWAN-QRWLVFNGSA-N 0 3 362.433 3.915 20 30 FHEDHN C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)N1[C@H](C)CC[C@@H]1C ZINC000413421431 934597486 /nfs/dbraw/zinc/59/74/86/934597486.db2.gz WZAKMIUAWIYSQK-RSUWNVLCSA-N 0 3 353.388 3.648 20 30 FHEDHN CN(C)[C@H](C/N=C\c1ccc(O)c(O)c1O)c1cccc(C(F)(F)F)c1 ZINC000588480340 934641409 /nfs/dbraw/zinc/64/14/09/934641409.db2.gz LTDOMIGXMKRXMC-JKSPXGIVSA-N 0 3 368.355 3.544 20 30 FHEDHN N#Cc1cc(CNC2(c3ccc(Br)cc3)CCOCC2)ccn1 ZINC000610993514 934730179 /nfs/dbraw/zinc/73/01/79/934730179.db2.gz SUIBXZPSFUWGON-UHFFFAOYSA-N 0 3 372.266 3.511 20 30 FHEDHN CN(Cc1ccnc(C#N)c1)CC1(c2ccc(Br)cc2)CC1 ZINC000610993291 934737881 /nfs/dbraw/zinc/73/78/81/934737881.db2.gz LLIMKYSQZLTLHX-UHFFFAOYSA-N 0 3 356.267 3.879 20 30 FHEDHN COc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)cc(OC)c1OC ZINC000123381537 934832640 /nfs/dbraw/zinc/83/26/40/934832640.db2.gz YRNKMVVMNLOJMU-UHFFFAOYSA-N 0 3 354.450 3.995 20 30 FHEDHN CCn1ccnc1C(C#N)C(=O)c1c(C)c(C)sc1Br ZINC001349701335 934840989 /nfs/dbraw/zinc/84/09/89/934840989.db2.gz DCQWSTRHHHSHLD-SNVBAGLBSA-N 0 3 352.257 3.834 20 30 FHEDHN C#Cc1cccc(NC(=S)N(CCN(C)C)Cc2cccc(C)c2)c1 ZINC000728450358 935005240 /nfs/dbraw/zinc/00/52/40/935005240.db2.gz YYZJRXLULYWJKW-UHFFFAOYSA-N 0 3 351.519 3.737 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1ccsc1 ZINC000119955080 935361602 /nfs/dbraw/zinc/36/16/02/935361602.db2.gz JWGBILSGMPDSCI-INIZCTEOSA-N 0 3 363.433 3.711 20 30 FHEDHN CN(CCC(=O)Nc1sccc1C#N)Cc1ccc(Cl)c(F)c1 ZINC000127692757 935733376 /nfs/dbraw/zinc/73/33/76/935733376.db2.gz GKVDWNWJVPNGIN-UHFFFAOYSA-N 0 3 351.834 3.873 20 30 FHEDHN CC(C)[C@@H](C(=O)NCc1cc(F)cc2c1OCOC2)N1CCCCC1 ZINC000329083899 935861262 /nfs/dbraw/zinc/86/12/62/935861262.db2.gz FKSDNMYEEOKCBC-KRWDZBQOSA-N 0 3 350.434 3.659 20 30 FHEDHN CN(CCCCC(C)(C)C#N)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000277749127 935881694 /nfs/dbraw/zinc/88/16/94/935881694.db2.gz PJZGHXBUTCAKER-UHFFFAOYSA-N 0 3 366.527 3.511 20 30 FHEDHN C[C@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)N1CCCCC1 ZINC000728517184 936010745 /nfs/dbraw/zinc/01/07/45/936010745.db2.gz IFWAKAOAVMBFRC-QGZVFWFLSA-N 0 3 363.461 3.955 20 30 FHEDHN COc1cc(CN[C@H](C)c2ccc(NC(=O)NC(C)C)cc2)ccc1C#N ZINC000516690382 945148447 /nfs/dbraw/zinc/14/84/47/945148447.db2.gz LPMOGZDPDKGYRH-OAHLLOKOSA-N 0 3 366.465 3.948 20 30 FHEDHN CC(C)N1CCN(Cc2ccc(NCc3ccccc3C#N)c(F)c2)CC1 ZINC001167637143 936278559 /nfs/dbraw/zinc/27/85/59/936278559.db2.gz JEHVLTNEBQGDAO-UHFFFAOYSA-N 0 3 366.484 3.835 20 30 FHEDHN C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@H]1C(=O)OC(C)(C)C ZINC000583501410 938280293 /nfs/dbraw/zinc/28/02/93/938280293.db2.gz HMARZAYICVKKPC-NZSAHSFTSA-N 0 3 370.493 3.585 20 30 FHEDHN Oc1cccc(CN(CC#Cc2ccc(F)cc2)[C@H]2CC[C@H](O)CC2)c1 ZINC000583572860 938307664 /nfs/dbraw/zinc/30/76/64/938307664.db2.gz DNEKTRNADPFAHI-MEMLXQNLSA-N 0 3 353.437 3.689 20 30 FHEDHN Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)c(-n2cc(Cl)cn2)n1 ZINC000583722735 938376404 /nfs/dbraw/zinc/37/64/04/938376404.db2.gz KKCJGSILFWCQOH-LJQANCHMSA-N 0 3 363.852 3.878 20 30 FHEDHN COc1ccccc1-n1nccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000583742566 938388601 /nfs/dbraw/zinc/38/86/01/938388601.db2.gz GBWMZWDXYSQMAD-HXUWFJFHSA-N 0 3 358.445 3.920 20 30 FHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000583934131 938488516 /nfs/dbraw/zinc/48/85/16/938488516.db2.gz OGZPTMWYEFRUJS-CYBMUJFWSA-N 0 3 370.430 3.523 20 30 FHEDHN Cc1csc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000584151198 938618934 /nfs/dbraw/zinc/61/89/34/938618934.db2.gz JJIWMNSFLXQJIM-GUYCJALGSA-N 0 3 354.479 3.570 20 30 FHEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCc4ccc(Cl)cc43)C2=O)cc1 ZINC000507418786 945219429 /nfs/dbraw/zinc/21/94/29/945219429.db2.gz BQBYUQWGRYEKRT-UXHICEINSA-N 0 3 365.864 3.984 20 30 FHEDHN CC1CCN([C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)c2cccs2)CC1 ZINC000612091885 939049742 /nfs/dbraw/zinc/04/97/42/939049742.db2.gz YAMKPTWQTZHEAH-YLJYHZDGSA-N 0 3 374.554 3.856 20 30 FHEDHN N#CC(C(=O)c1ccc(O[C@H]2CCOC2)cc1)c1nc(C2CC2)cs1 ZINC000647379434 939084738 /nfs/dbraw/zinc/08/47/38/939084738.db2.gz JWBHLGBRCGHFKM-JKSUJKDBSA-N 0 3 354.431 3.678 20 30 FHEDHN CC[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC)c1 ZINC000507428854 945230582 /nfs/dbraw/zinc/23/05/82/945230582.db2.gz LZXBUDWBZXSNKT-SFTDATJTSA-N 0 3 363.461 3.803 20 30 FHEDHN CC[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC)c1 ZINC000507428852 945230893 /nfs/dbraw/zinc/23/08/93/945230893.db2.gz LZXBUDWBZXSNKT-RTWAWAEBSA-N 0 3 363.461 3.803 20 30 FHEDHN N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1Cl ZINC000540849699 939187412 /nfs/dbraw/zinc/18/74/12/939187412.db2.gz HSEADMUOXKSVFD-IBGZPJMESA-N 0 3 353.853 3.779 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)CC1 ZINC000519301389 945290487 /nfs/dbraw/zinc/29/04/87/945290487.db2.gz BDNJNKGXTPDADE-HXUWFJFHSA-N 0 3 357.498 3.582 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000507505479 945285821 /nfs/dbraw/zinc/28/58/21/945285821.db2.gz BJZBFGLRYCKLFB-PBHICJAKSA-N 0 3 353.853 3.777 20 30 FHEDHN Cn1cc([C@@H](NC2CCN(c3ccc(C#N)cc3)CC2)c2ccccc2)cn1 ZINC000375894009 940031997 /nfs/dbraw/zinc/03/19/97/940031997.db2.gz BRWMXCGIMKHYAS-QHCPKHFHSA-N 0 3 371.488 3.640 20 30 FHEDHN C=CCN1CCC(NC(=O)NCC2(c3cccc(F)c3)CCCCC2)CC1 ZINC000519300361 945301924 /nfs/dbraw/zinc/30/19/24/945301924.db2.gz HYAVFFAQCPBBCG-UHFFFAOYSA-N 0 3 373.516 3.977 20 30 FHEDHN COc1ccc(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1C ZINC000180028100 940270336 /nfs/dbraw/zinc/27/03/36/940270336.db2.gz MIYZRRWQFONERW-UHFFFAOYSA-N 0 3 360.461 3.908 20 30 FHEDHN Cc1ccc(OCCCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1C ZINC000177599236 940302714 /nfs/dbraw/zinc/30/27/14/940302714.db2.gz DWJIWXMCAKQTDV-IBGZPJMESA-N 0 3 350.418 3.810 20 30 FHEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1c(F)cncc1F ZINC000376108047 940320310 /nfs/dbraw/zinc/32/03/10/940320310.db2.gz ZYLRBQIWJSOJEE-CQSZACIVSA-N 0 3 356.420 3.547 20 30 FHEDHN N#CC(C(=O)CCCSc1ccc(Cl)cc1)C(=O)N1CCCC1 ZINC000124685759 945319242 /nfs/dbraw/zinc/31/92/42/945319242.db2.gz VDWUVAICQZBHEN-OAHLLOKOSA-N 0 3 350.871 3.544 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000511444229 940477916 /nfs/dbraw/zinc/47/79/16/940477916.db2.gz KOSJNRXQUMMFQN-LJQANCHMSA-N 0 3 365.880 3.571 20 30 FHEDHN CC(C)(C)CC(=O)NCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000066510948 940595020 /nfs/dbraw/zinc/59/50/20/940595020.db2.gz MSLDYUCWSWYSLW-NSHDSACASA-N 0 3 363.870 3.678 20 30 FHEDHN CN(CCOCc1ccccc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180269565 940898739 /nfs/dbraw/zinc/89/87/39/940898739.db2.gz ONZFAMZZICLJEQ-UHFFFAOYSA-N 0 3 360.461 3.607 20 30 FHEDHN COc1ccc([C@H](C)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000180276995 940910237 /nfs/dbraw/zinc/91/02/37/940910237.db2.gz MUHQEMAZAAMYIA-AWEZNQCLSA-N 0 3 364.424 3.957 20 30 FHEDHN C=CCCCN(C)C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000659270424 941139726 /nfs/dbraw/zinc/13/97/26/941139726.db2.gz LLTSNGFIRCTWAM-NRFANRHFSA-N 0 3 352.478 3.560 20 30 FHEDHN C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)CCN1Cc1ccccc1 ZINC000177897644 941153717 /nfs/dbraw/zinc/15/37/17/941153717.db2.gz OUZWBKBRKJVTGR-INIZCTEOSA-N 0 3 366.440 3.826 20 30 FHEDHN Cc1cccc2nc(C3CCN(C[C@@H](O)c4ccc(C#N)cc4)CC3)oc21 ZINC000189811637 941285312 /nfs/dbraw/zinc/28/53/12/941285312.db2.gz XFAWMXJPLGJWGV-HXUWFJFHSA-N 0 3 361.445 3.921 20 30 FHEDHN CCN1CC[C@@H](NCC#Cc2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549112865 941347415 /nfs/dbraw/zinc/34/74/15/941347415.db2.gz MAHQABHOHMENHB-TZIWHRDSSA-N 0 3 358.407 3.881 20 30 FHEDHN CN1CC[C@H](CNCc2nc(C#N)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000564411484 941510577 /nfs/dbraw/zinc/51/05/77/941510577.db2.gz WBZHMLSGNOLRDR-PXAZEXFGSA-N 0 3 364.877 3.590 20 30 FHEDHN CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472731896 941644807 /nfs/dbraw/zinc/64/48/07/941644807.db2.gz UTEPJDSKFRYMGA-LJQANCHMSA-N 0 3 366.440 3.826 20 30 FHEDHN CC[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000415165361 941646992 /nfs/dbraw/zinc/64/69/92/941646992.db2.gz DXONHCMKISZXLF-OAQYLSRUSA-N 0 3 367.468 3.781 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)ccc1Cl ZINC000431840412 941650838 /nfs/dbraw/zinc/65/08/38/941650838.db2.gz NAQJGUNYVGEPCC-UHFFFAOYSA-N 0 3 359.832 3.555 20 30 FHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(C#N)ccc1Cl ZINC000513286233 941829173 /nfs/dbraw/zinc/82/91/73/941829173.db2.gz JOFKFTLZFJQOMX-INIZCTEOSA-N 0 3 367.880 3.948 20 30 FHEDHN CO[C@]1(C)CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000280626877 942216801 /nfs/dbraw/zinc/21/68/01/942216801.db2.gz XAYBSSSDRXTFTG-GHTZIAJQSA-N 0 3 357.498 3.521 20 30 FHEDHN N#Cc1ccc(C2=CCN(Cc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000420950533 942272388 /nfs/dbraw/zinc/27/23/88/942272388.db2.gz RMYWVOIHHQVVOE-UHFFFAOYSA-N 0 3 373.500 3.680 20 30 FHEDHN C=CCC1(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CCOCC1 ZINC000424850607 942404461 /nfs/dbraw/zinc/40/44/61/942404461.db2.gz MXRAQPZHCNTWED-FQEVSTJZSA-N 0 3 374.525 3.566 20 30 FHEDHN N#Cc1ccc(Cl)c(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000505236356 942408353 /nfs/dbraw/zinc/40/83/53/942408353.db2.gz YBFVFFVHKIPEPD-LJQANCHMSA-N 0 3 353.853 3.779 20 30 FHEDHN N#Cc1ccc(C2=CCN(C[C@H](O)COc3cccc4[nH]ccc43)CC2)cc1 ZINC000502529161 942502870 /nfs/dbraw/zinc/50/28/70/942502870.db2.gz NCMXLYAPUQKAHE-FQEVSTJZSA-N 0 3 373.456 3.569 20 30 FHEDHN N#Cc1ccc(C2=CCN(C[C@@H](O)COc3cccc4[nH]ccc43)CC2)cc1 ZINC000502529182 942503036 /nfs/dbraw/zinc/50/30/36/942503036.db2.gz NCMXLYAPUQKAHE-HXUWFJFHSA-N 0 3 373.456 3.569 20 30 FHEDHN N#Cc1ccc(C2=CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000502529910 942503932 /nfs/dbraw/zinc/50/39/32/942503932.db2.gz PWLXRWQSWFXYLU-UHFFFAOYSA-N 0 3 356.429 3.548 20 30 FHEDHN C[C@@H]1CN(Cc2ccc(CNCc3ccc(C#N)c(F)c3)cc2)C[C@H](C)O1 ZINC000421334827 942508603 /nfs/dbraw/zinc/50/86/03/942508603.db2.gz QUGYYKBJSGSFPQ-CALCHBBNSA-N 0 3 367.468 3.596 20 30 FHEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1cccc(OCc2ccccc2)c1 ZINC000434634288 942810824 /nfs/dbraw/zinc/81/08/24/942810824.db2.gz RBXCTTIIBUBWDB-MSOLQXFVSA-N 0 3 365.477 3.677 20 30 FHEDHN C=CCN(CCc1ccco1)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000378495337 942827905 /nfs/dbraw/zinc/82/79/05/942827905.db2.gz KKMGZKPXOMARSY-UHFFFAOYSA-N 0 3 373.522 3.746 20 30 FHEDHN C=CCn1c(SCCN(C)Cc2ccccc2)nnc1-c1ccco1 ZINC000430117193 942929813 /nfs/dbraw/zinc/92/98/13/942929813.db2.gz IJMDVIMIQTWKKE-UHFFFAOYSA-N 0 3 354.479 3.948 20 30 FHEDHN N#Cc1cccc(OCCCN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000503181025 943030655 /nfs/dbraw/zinc/03/06/55/943030655.db2.gz LDIATLDGOZCJGP-HXUWFJFHSA-N 0 3 373.460 3.949 20 30 FHEDHN N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)c1 ZINC000503181025 943030661 /nfs/dbraw/zinc/03/06/61/943030661.db2.gz LDIATLDGOZCJGP-HXUWFJFHSA-N 0 3 373.460 3.949 20 30 FHEDHN N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)c1 ZINC000503181025 943030666 /nfs/dbraw/zinc/03/06/66/943030666.db2.gz LDIATLDGOZCJGP-HXUWFJFHSA-N 0 3 373.460 3.949 20 30 FHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272419498 943153161 /nfs/dbraw/zinc/15/31/61/943153161.db2.gz LTVPFBZHQNRKBG-BFYDXBDKSA-N 0 3 358.511 3.639 20 30 FHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272639790 943191421 /nfs/dbraw/zinc/19/14/21/943191421.db2.gz CCAVTOLTKKLHMS-GJZGRUSLSA-N 0 3 358.511 3.853 20 30 FHEDHN CN(C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000435152277 943193439 /nfs/dbraw/zinc/19/34/39/943193439.db2.gz SMCQGYNIRZTERA-IBGZPJMESA-N 0 3 366.440 3.826 20 30 FHEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CCN(C)C)C2CC2)cc1 ZINC000505669295 943332751 /nfs/dbraw/zinc/33/27/51/943332751.db2.gz NWPRYYIOCAOWHV-UHFFFAOYSA-N 0 3 363.461 3.825 20 30 FHEDHN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000503765064 943362993 /nfs/dbraw/zinc/36/29/93/943362993.db2.gz MIOVRJUNJYGIJF-SFTDATJTSA-N 0 3 370.541 3.846 20 30 FHEDHN COC(=O)[C@H](C)Oc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425366049 943376085 /nfs/dbraw/zinc/37/60/85/943376085.db2.gz OHHFDLNGKZAGCA-CVEARBPZSA-N 0 3 352.434 3.692 20 30 FHEDHN C=CC[C@H](C)C(=O)N1CCC[C@]2(CCCN(Cc3scnc3C)C2)C1 ZINC001269961525 943414945 /nfs/dbraw/zinc/41/49/45/943414945.db2.gz ZHYRRXBLXKZVBU-JXFKEZNVSA-N 0 3 361.555 3.868 20 30 FHEDHN CC(C)[C@H](CNC(=O)Nc1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000515170183 943534805 /nfs/dbraw/zinc/53/48/05/943534805.db2.gz UIRMBDXWCGWJHG-NRFANRHFSA-N 0 3 362.477 3.763 20 30 FHEDHN C=CCOc1ccc(C(=O)Nc2cc(CN(C)C)ccc2OC)cc1OC ZINC000515190301 943545795 /nfs/dbraw/zinc/54/57/95/943545795.db2.gz QRMAUWSCLDNWBT-UHFFFAOYSA-N 0 3 370.449 3.583 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000435735035 943587347 /nfs/dbraw/zinc/58/73/47/943587347.db2.gz ISSAZNGFRDQSPB-PXAZEXFGSA-N 0 3 367.280 3.645 20 30 FHEDHN C=CCC[C@@H](NC(=O)N(CCN(C)C)Cc1ccccn1)c1ccccc1 ZINC000435763057 943596722 /nfs/dbraw/zinc/59/67/22/943596722.db2.gz KOUHHYDAMHTHCJ-OAQYLSRUSA-N 0 3 366.509 3.862 20 30 FHEDHN Cc1ccc(Cc2cnc(NC(=O)[C@@H](N)CCCC#N)s2)cc1Cl ZINC000424069694 943707880 /nfs/dbraw/zinc/70/78/80/943707880.db2.gz QJCMGVAHNHONNB-HNNXBMFYSA-N 0 3 362.886 3.655 20 30 FHEDHN C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424087265 943723072 /nfs/dbraw/zinc/72/30/72/943723072.db2.gz DIOUMXNFYYQHRN-WBMJQRKESA-N 0 3 353.388 3.779 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000424087718 943723788 /nfs/dbraw/zinc/72/37/88/943723788.db2.gz FKJLRGFMRPRXMV-MSOLQXFVSA-N 0 3 359.832 3.706 20 30 FHEDHN COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424109074 943735610 /nfs/dbraw/zinc/73/56/10/943735610.db2.gz ZFGSBCFGOJHPSU-HNNXBMFYSA-N 0 3 371.412 3.895 20 30 FHEDHN CC(C)(C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424116652 943740391 /nfs/dbraw/zinc/74/03/91/943740391.db2.gz XRUQETVZHMCIBV-LSDHHAIUSA-N 0 3 355.404 3.930 20 30 FHEDHN Cc1cc(CNC(=O)[C@@H](N)CCCC#N)ccc1Oc1ccc(F)cc1 ZINC000424117396 943740407 /nfs/dbraw/zinc/74/04/07/943740407.db2.gz ZDJUMTQIQSZBNP-SFHVURJKSA-N 0 3 355.413 3.564 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000424119719 943742382 /nfs/dbraw/zinc/74/23/82/943742382.db2.gz GDSZNTIZYGOBEU-INIZCTEOSA-N 0 3 357.841 3.879 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000424162233 943768443 /nfs/dbraw/zinc/76/84/43/943768443.db2.gz YFJCNCVHHJDYEI-QGZVFWFLSA-N 0 3 368.308 3.796 20 30 FHEDHN CCOCCOc1ccc(Br)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424199106 943783635 /nfs/dbraw/zinc/78/36/35/943783635.db2.gz PSTAKVGJWJFLEL-XJKSGUPXSA-N 0 3 367.287 3.646 20 30 FHEDHN C=CCn1cc(CN[C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000424289886 943821242 /nfs/dbraw/zinc/82/12/42/943821242.db2.gz AMSUIVPCBDMREV-ZBFHGGJFSA-N 0 3 350.388 3.909 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)NCCc1cccc(C#N)c1)c1ccsc1 ZINC000584487218 943898090 /nfs/dbraw/zinc/89/80/90/943898090.db2.gz RUZFYFPSFIZZDK-LJQANCHMSA-N 0 3 370.522 3.545 20 30 FHEDHN C=CCCO[C@H](C)C(=O)N(CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000505001257 943954200 /nfs/dbraw/zinc/95/42/00/943954200.db2.gz QQEBLKLEGZVGRV-CTNGQTDRSA-N 0 3 358.526 3.871 20 30 FHEDHN C=CCC1(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CCOCC1 ZINC000424581307 943978086 /nfs/dbraw/zinc/97/80/86/943978086.db2.gz FODPJEFGCHWGNU-QGZVFWFLSA-N 0 3 350.528 3.620 20 30 FHEDHN CN(C)C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000500102689 944099432 /nfs/dbraw/zinc/09/94/32/944099432.db2.gz OTLGJEWWBFKLQZ-VQTJNVASSA-N 0 3 368.456 3.773 20 30 FHEDHN CC1CCN([C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)c2cccs2)CC1 ZINC000517218148 944112434 /nfs/dbraw/zinc/11/24/34/944112434.db2.gz DCDDMCCYYLQMAB-OKZBNKHCSA-N 0 3 374.554 3.903 20 30 FHEDHN COc1ccc(CN[C@H]2C[C@H](CO)c3ccccc32)cc1OCCCC#N ZINC000364272831 944197084 /nfs/dbraw/zinc/19/70/84/944197084.db2.gz SDHSXOAAULBNES-XLIONFOSSA-N 0 3 366.461 3.688 20 30 FHEDHN C=CCN1CCC(Nc2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000517331875 944225862 /nfs/dbraw/zinc/22/58/62/944225862.db2.gz VEJDUXJDTMLUHA-UHFFFAOYSA-N 0 3 350.491 3.843 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000049795290 944437373 /nfs/dbraw/zinc/43/73/73/944437373.db2.gz PBABJMLEYYDMLE-GOSISDBHSA-N 0 3 357.523 3.619 20 30 FHEDHN COCCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCSC1 ZINC000566650184 944472022 /nfs/dbraw/zinc/47/20/22/944472022.db2.gz RLOKAVDVBDUSJB-OAHLLOKOSA-N 0 3 358.429 3.921 20 30 FHEDHN CCOC(=O)COc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000506542761 944523303 /nfs/dbraw/zinc/52/33/03/944523303.db2.gz WVWPNPGVPPJZMH-UHFFFAOYSA-N 0 3 364.445 3.665 20 30 FHEDHN N#CCC[C@H](C#N)CN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000112203823 944537970 /nfs/dbraw/zinc/53/79/70/944537970.db2.gz LCKRBJYMCLNDLQ-NMJFEHLSSA-N 0 3 354.542 3.654 20 30 FHEDHN COc1ccc2oc(CN(C)CCOCc3ccc(C#N)cc3)cc2c1 ZINC000517726272 944540418 /nfs/dbraw/zinc/54/04/18/944540418.db2.gz FZCFMRTVRJKHRZ-UHFFFAOYSA-N 0 3 350.418 3.962 20 30 FHEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CCc4cc(Cl)ccc43)C2=O)cc1 ZINC000506217567 944552999 /nfs/dbraw/zinc/55/29/99/944552999.db2.gz JKVYSMBURWXTGC-PMACEKPBSA-N 0 3 365.864 3.984 20 30 FHEDHN COC[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000516200538 944572270 /nfs/dbraw/zinc/57/22/70/944572270.db2.gz QDDRJRFRFIQAFG-OAQYLSRUSA-N 0 3 371.431 3.783 20 30 FHEDHN C=CCOc1cccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000506248142 944667791 /nfs/dbraw/zinc/66/77/91/944667791.db2.gz VJKLWQTWIJMBLU-UHFFFAOYSA-N 0 3 361.489 3.831 20 30 FHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(OCC(C)C)cc2)n1 ZINC000516346387 944753158 /nfs/dbraw/zinc/75/31/58/944753158.db2.gz HSYSJLVQDLSCTG-OAHLLOKOSA-N 0 3 372.446 3.845 20 30 FHEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C12CCCCC2 ZINC000516376654 944778878 /nfs/dbraw/zinc/77/88/78/944778878.db2.gz KMRVSNQUCIXLRL-KFKAGJAMSA-N 0 3 355.482 3.603 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000425653526 944829642 /nfs/dbraw/zinc/82/96/42/944829642.db2.gz ZYCLQNLZAKXFGB-DYESRHJHSA-N 0 3 362.477 3.535 20 30 FHEDHN COC(=O)[C@H]1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000506295444 944834098 /nfs/dbraw/zinc/83/40/98/944834098.db2.gz QRQUGHOQWRXBID-IBGZPJMESA-N 0 3 364.445 3.522 20 30 FHEDHN C=CCN1CCC(NC(=O)c2ccc(Sc3ccccn3)cc2)CC1 ZINC000517988752 944898227 /nfs/dbraw/zinc/89/82/27/944898227.db2.gz VIKMTHDTTCUUPW-UHFFFAOYSA-N 0 3 353.491 3.613 20 30 FHEDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000506654899 944898675 /nfs/dbraw/zinc/89/86/75/944898675.db2.gz QSHABPAHODIRMW-KSSFIOAISA-N 0 3 367.449 3.643 20 30 FHEDHN C=CCOc1ccccc1CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000518966772 944984770 /nfs/dbraw/zinc/98/47/70/944984770.db2.gz PKLIQVAMODKWHZ-SFHVURJKSA-N 0 3 367.493 3.571 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000507230560 945052321 /nfs/dbraw/zinc/05/23/21/945052321.db2.gz OJWKSBPLXBXWCZ-LSDHHAIUSA-N 0 3 368.506 3.878 20 30 FHEDHN C[C@H](NC(=O)CN1CCC[C@H](c2nc[nH]n2)C1)c1ccc2c(c1)CCCC2 ZINC000330136139 945371758 /nfs/dbraw/zinc/37/17/58/945371758.db2.gz NCAPHNMJQVZSDV-KXBFYZLASA-N 0 3 367.497 3.581 20 30 FHEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000507612459 945374531 /nfs/dbraw/zinc/37/45/31/945374531.db2.gz CJQIRBOHGJZPRI-YLJYHZDGSA-N 0 3 350.462 3.817 20 30 FHEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccccc1Br ZINC000330258635 945429256 /nfs/dbraw/zinc/42/92/56/945429256.db2.gz MQJPCSISNARLHJ-COLVAYQJSA-N 0 3 353.260 3.583 20 30 FHEDHN Cc1cc(N2CCCC[C@@H]2C)ccc1[NH+]=C([O-])N[C@H]1CCn2ccnc2C1 ZINC000330263995 945432776 /nfs/dbraw/zinc/43/27/76/945432776.db2.gz XIIPIMSYENEINZ-IRXDYDNUSA-N 0 3 367.497 3.911 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOc1ccccc1F ZINC000125066761 945538962 /nfs/dbraw/zinc/53/89/62/945538962.db2.gz PFHDVSPUYFUPSG-CQSZACIVSA-N 0 3 351.381 3.748 20 30 FHEDHN Cc1cccc2c1CCN(CC(=O)C(C#N)c1nc3ccccc3s1)C2 ZINC000729480332 945574664 /nfs/dbraw/zinc/57/46/64/945574664.db2.gz USWCEVHTUUYURU-QGZVFWFLSA-N 0 3 361.470 3.839 20 30 FHEDHN N#CC1(CCCN2CCC(O)(c3ccccc3Cl)CC2)CCOCC1 ZINC000281444885 945644685 /nfs/dbraw/zinc/64/46/85/945644685.db2.gz UGHRBUHIPCTXTL-UHFFFAOYSA-N 0 3 362.901 3.724 20 30 FHEDHN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125229889 945688577 /nfs/dbraw/zinc/68/85/77/945688577.db2.gz MIBUSHHRIDTXPH-DOTOQJQBSA-N 0 3 365.433 3.628 20 30 FHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000661116756 945748718 /nfs/dbraw/zinc/74/87/18/945748718.db2.gz ZWEKGQXLTWEMJR-KXBFYZLASA-N 0 3 374.506 3.970 20 30 FHEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccc1C ZINC000048813435 945796306 /nfs/dbraw/zinc/79/63/06/945796306.db2.gz YWULLYOSYJMPEY-OAHLLOKOSA-N 0 3 355.401 3.856 20 30 FHEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cc1c(C)cc(C#N)cc1C ZINC001271405246 946000157 /nfs/dbraw/zinc/00/01/57/946000157.db2.gz UNKLSDOCDDGXMX-GMAHTHKFSA-N 0 3 373.500 3.861 20 30 FHEDHN Cc1ccc([C@H]2CSCCN2CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000444163687 946007523 /nfs/dbraw/zinc/00/75/23/946007523.db2.gz YREPCBHVWOKNRW-HXUWFJFHSA-N 0 3 365.502 3.985 20 30 FHEDHN C[C@@H](CCN1CCN(Cc2ccc(C#N)cc2)CC1)OCc1ccccc1 ZINC000475058556 946078136 /nfs/dbraw/zinc/07/81/36/946078136.db2.gz ZBEUYCANBAZSDU-FQEVSTJZSA-N 0 3 363.505 3.671 20 30 FHEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000661419500 946088797 /nfs/dbraw/zinc/08/87/97/946088797.db2.gz RJWVXWSCOLERFR-LEWJYISDSA-N 0 3 370.541 3.728 20 30 FHEDHN N#Cc1ccsc1NC(=O)CCN1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561507 946350398 /nfs/dbraw/zinc/35/03/98/946350398.db2.gz RAUKMKAKEBGIJL-UHFFFAOYSA-N 0 3 372.469 3.664 20 30 FHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSCCC(C)C)cc1Cl ZINC000121354356 946389359 /nfs/dbraw/zinc/38/93/59/946389359.db2.gz YXDPUGGCLBAXAB-CYBMUJFWSA-N 0 3 368.886 3.775 20 30 FHEDHN C=CCOc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1OC ZINC000441360253 946486438 /nfs/dbraw/zinc/48/64/38/946486438.db2.gz RGQUKIJZVGBIIP-QFIPXVFZSA-N 0 3 353.462 3.574 20 30 FHEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000441369914 946519972 /nfs/dbraw/zinc/51/99/72/946519972.db2.gz GEGMHDCTILCLNF-VQTJNVASSA-N 0 3 353.510 3.906 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)/C=C/c1ccccc1C#N)c1ccsc1 ZINC000029415142 946524453 /nfs/dbraw/zinc/52/44/53/946524453.db2.gz BXGJLTHHAYBSPT-JBVUFVISSA-N 0 3 353.491 3.832 20 30 FHEDHN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000441385324 946560088 /nfs/dbraw/zinc/56/00/88/946560088.db2.gz ZLDMDOTWDFMROQ-HXUWFJFHSA-N 0 3 355.526 3.933 20 30 FHEDHN C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)NC1(C#N)CCCCC1 ZINC000104704393 946575176 /nfs/dbraw/zinc/57/51/76/946575176.db2.gz AFJOCTMMZGTRDU-HNAYVOBHSA-N 0 3 357.473 3.988 20 30 FHEDHN N#CC(C(=O)CCOCc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000125585600 946829499 /nfs/dbraw/zinc/82/94/99/946829499.db2.gz FEUSUTNVRYZRSH-OAHLLOKOSA-N 0 3 374.799 3.733 20 30 FHEDHN C#CCCOc1ccc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000113322437 946927535 /nfs/dbraw/zinc/92/75/35/946927535.db2.gz KMKVNMVGAXMWQW-INIZCTEOSA-N 0 3 369.461 3.965 20 30 FHEDHN CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)c12 ZINC000328647666 946964100 /nfs/dbraw/zinc/96/41/00/946964100.db2.gz HRQTYISEXHGGRN-SJKOYZFVSA-N 0 3 356.470 3.525 20 30 FHEDHN Cc1nc2cccc(C(=O)N[C@@H]3CCN(C)[C@H]3c3ccc(F)c(F)c3)c2[nH]1 ZINC000328687291 946988081 /nfs/dbraw/zinc/98/80/81/946988081.db2.gz GXPRLAUVMLYJMJ-MJGOQNOKSA-N 0 3 370.403 3.900 20 30 FHEDHN CCN1CCC[C@H](NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)C1 ZINC000328701593 946996321 /nfs/dbraw/zinc/99/63/21/946996321.db2.gz WTKRVHBIPDGECB-SWLSCSKDSA-N 0 3 371.934 3.597 20 30 FHEDHN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC[C@@H](C2CCOCC2)C1 ZINC000328805163 947028654 /nfs/dbraw/zinc/02/86/54/947028654.db2.gz CYPDPCIPYFJEHG-SZVBFZGTSA-N 0 3 358.482 3.604 20 30 FHEDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1nc2ccccc2s1 ZINC000328831932 947055718 /nfs/dbraw/zinc/05/57/18/947055718.db2.gz KOFVAPLIUSOHTP-OWRWGESLSA-N 0 3 358.467 3.760 20 30 FHEDHN CN1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)[C@H]1c1ccccc1 ZINC000328890354 947084517 /nfs/dbraw/zinc/08/45/17/947084517.db2.gz ROEBUQWGYDWDAI-HSALFYBXSA-N 0 3 371.525 3.817 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC000124654586 947118890 /nfs/dbraw/zinc/11/88/90/947118890.db2.gz CERIXBUVHXVBBH-UHFFFAOYSA-N 0 3 359.514 3.656 20 30 FHEDHN CN1Cc2ccccc2[C@H](NC2CCC(C#N)(c3ccccc3)CC2)C1=O ZINC000598942048 947185884 /nfs/dbraw/zinc/18/58/84/947185884.db2.gz KRUIZJBSKHIOIM-SWCONJRYSA-N 0 3 359.473 3.693 20 30 FHEDHN C=CCn1c(CC2CC2)nnc1N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000508509100 947245477 /nfs/dbraw/zinc/24/54/77/947245477.db2.gz MKCWRBMLCACTBU-HXUWFJFHSA-N 0 3 365.525 3.517 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCSc2ccccc2F)c1 ZINC000127135422 947271143 /nfs/dbraw/zinc/27/11/43/947271143.db2.gz IBCXVOCWRRNJDN-OAHLLOKOSA-N 0 3 372.421 3.664 20 30 FHEDHN CC(=O)Nc1ccc(Cl)c(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000330967018 947318908 /nfs/dbraw/zinc/31/89/08/947318908.db2.gz LPWFMSCSQUCDDX-UHFFFAOYSA-N 0 3 351.878 3.725 20 30 FHEDHN CCN1CCC[C@@H]1CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC ZINC000330978565 947325739 /nfs/dbraw/zinc/32/57/39/947325739.db2.gz IRGSKIMMATUVLG-CYBMUJFWSA-N 0 3 350.532 3.593 20 30 FHEDHN C[C@H](NC[C@](C)(O)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)nc1 ZINC000931617818 947327918 /nfs/dbraw/zinc/32/79/18/947327918.db2.gz QJUXMDMOQOWGDD-XVKPBYJWSA-N 0 3 366.252 3.700 20 30 FHEDHN CO[C@H](C)c1nc(C)c(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)s1 ZINC000331126654 947353305 /nfs/dbraw/zinc/35/33/05/947353305.db2.gz RLSVPLJGEBEINP-GXTWGEPZSA-N 0 3 353.532 3.974 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)Nc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000054008931 948162011 /nfs/dbraw/zinc/16/20/11/948162011.db2.gz FMJBKOPGGNUZLG-HXUWFJFHSA-N 0 3 366.465 3.771 20 30 FHEDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000459111848 948328890 /nfs/dbraw/zinc/32/88/90/948328890.db2.gz SJWSFBDHLAOPAC-FQEVSTJZSA-N 0 3 356.514 3.600 20 30 FHEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCCC(=O)Nc1ccccc1C#N ZINC000481387139 567876713 /nfs/dbraw/zinc/87/67/13/567876713.db2.gz BCVZVMJELKKDFK-JLTOFOAXSA-N 0 3 371.868 3.906 20 30 FHEDHN CN(C)Cc1cccc(NCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000601929710 567878580 /nfs/dbraw/zinc/87/85/80/567878580.db2.gz APTYEUKFRNMYQM-UHFFFAOYSA-N 0 3 370.884 3.760 20 30 FHEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967597 567889458 /nfs/dbraw/zinc/88/94/58/567889458.db2.gz HHXPESBHEUWVRC-VHSXEESVSA-N 0 3 355.269 3.821 20 30 FHEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967596 567889554 /nfs/dbraw/zinc/88/95/54/567889554.db2.gz HHXPESBHEUWVRC-UWVGGRQHSA-N 0 3 355.269 3.821 20 30 FHEDHN C[C@H](NC1CCN(CCc2ccncc2)CC1)c1ccc(C#N)cc1Cl ZINC000366010953 567931176 /nfs/dbraw/zinc/93/11/76/567931176.db2.gz PDYRHENJWGCBAV-INIZCTEOSA-N 0 3 368.912 3.964 20 30 FHEDHN CC[C@H](C)C(=O)Nc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602522244 567987366 /nfs/dbraw/zinc/98/73/66/567987366.db2.gz SMMUVMPVRLBEOG-DLBZAZTESA-N 0 3 357.498 3.860 20 30 FHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000602526547 567987906 /nfs/dbraw/zinc/98/79/06/567987906.db2.gz XIBHOXUYGPGHIK-QGZVFWFLSA-N 0 3 367.415 3.855 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(COC2CCOCC2)cc1 ZINC000602583670 567994056 /nfs/dbraw/zinc/99/40/56/567994056.db2.gz SYKZGUQVTLLPAK-GOSISDBHSA-N 0 3 372.509 3.571 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602585792 567994313 /nfs/dbraw/zinc/99/43/13/567994313.db2.gz UQBYESPWFZIKPP-GJZGRUSLSA-N 0 3 357.351 3.529 20 30 FHEDHN C[C@@H](CCC#N)CN[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000602587436 567994492 /nfs/dbraw/zinc/99/44/92/567994492.db2.gz GTQNOLMLHSCZLJ-JXFKEZNVSA-N 0 3 356.491 3.709 20 30 FHEDHN C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@@H](N)CCCC#N ZINC000602605426 567997046 /nfs/dbraw/zinc/99/70/46/567997046.db2.gz VHBXKUOSXPAUDT-RDJZCZTQSA-N 0 3 353.388 3.564 20 30 FHEDHN Cc1cc(Br)cc(C)c1NC(=O)CCCN[C@H](C)CC#N ZINC000602868590 568008694 /nfs/dbraw/zinc/00/86/94/568008694.db2.gz JPSKFIIMINPYPH-CYBMUJFWSA-N 0 3 352.276 3.676 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1c(Cl)cccc1-n1ccnc1 ZINC000602674209 568008725 /nfs/dbraw/zinc/00/87/25/568008725.db2.gz VUYSCEQODIRENL-HNNXBMFYSA-N 0 3 358.873 3.714 20 30 FHEDHN CN1CC[C@H](NCC2(C#N)CCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000602697156 568016446 /nfs/dbraw/zinc/01/64/46/568016446.db2.gz IOPSNQVQLYQDNI-DLBZAZTESA-N 0 3 362.315 3.868 20 30 FHEDHN CN(C)CCOc1ccccc1CNc1ccc(C#N)cc1Br ZINC000568456512 568039993 /nfs/dbraw/zinc/03/99/93/568039993.db2.gz GVDGPKLOMYAJAE-UHFFFAOYSA-N 0 3 374.282 3.873 20 30 FHEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NCCN1CCCC[C@H]1CC ZINC000605988833 568067296 /nfs/dbraw/zinc/06/72/96/568067296.db2.gz QLGGWQIPFQCPRK-LJQANCHMSA-N 0 3 359.514 3.657 20 30 FHEDHN COC(=O)c1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000481665665 568080961 /nfs/dbraw/zinc/08/09/61/568080961.db2.gz GBEFMHAHOAGXAD-FQEVSTJZSA-N 0 3 364.445 3.911 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCC(=O)Nc1ccc(F)c(F)c1F ZINC000481679247 568085752 /nfs/dbraw/zinc/08/57/52/568085752.db2.gz SRHGHXRMKLPXQT-INIZCTEOSA-N 0 3 373.378 3.971 20 30 FHEDHN C[C@@H](c1cc2ccccc2o1)N(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603464522 568105381 /nfs/dbraw/zinc/10/53/81/568105381.db2.gz YOZQPCMPXWXOOE-QFBILLFUSA-N 0 3 364.445 3.932 20 30 FHEDHN C=CCN(Cc1ccc(F)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000522775391 568128078 /nfs/dbraw/zinc/12/80/78/568128078.db2.gz RNCOZAOCGVVZFM-CQSZACIVSA-N 0 3 355.392 3.690 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000481918634 568183651 /nfs/dbraw/zinc/18/36/51/568183651.db2.gz IAXWTIBQPHRYRT-KKSFZXQISA-N 0 3 372.415 3.633 20 30 FHEDHN CS(=O)(=O)Cc1cccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481928397 568189526 /nfs/dbraw/zinc/18/95/26/568189526.db2.gz RPVXNWKRVWAZLB-OAQYLSRUSA-N 0 3 368.502 3.660 20 30 FHEDHN CCS(=O)(=O)c1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481987864 568215711 /nfs/dbraw/zinc/21/57/11/568215711.db2.gz CRPIFJIWAWELDO-NRFANRHFSA-N 0 3 368.502 3.909 20 30 FHEDHN C=CCC[C@@H](NC(=O)Nc1cnn(C2CCN(C)CC2)c1)c1ccccc1 ZINC000636953519 568222004 /nfs/dbraw/zinc/22/20/04/568222004.db2.gz MXYMQGZZMOUVFP-HXUWFJFHSA-N 0 3 367.497 3.979 20 30 FHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnc2ccccc12 ZINC000482074927 568254410 /nfs/dbraw/zinc/25/44/10/568254410.db2.gz YFHCSAOIACEMGM-UHFFFAOYSA-N 0 3 372.472 3.619 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)CCCOc2ccc(Cl)c(C)c2)CC1 ZINC000303280746 568264077 /nfs/dbraw/zinc/26/40/77/568264077.db2.gz MCXALLRERHMLLS-UHFFFAOYSA-N 0 3 364.917 3.964 20 30 FHEDHN CCN(Cc1ccc(Cl)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604501428 568301811 /nfs/dbraw/zinc/30/18/11/568301811.db2.gz NTBZDCJPLBEGED-IBGZPJMESA-N 0 3 358.869 3.668 20 30 FHEDHN CCN(CCOc1ccccc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000541991890 568313542 /nfs/dbraw/zinc/31/35/42/568313542.db2.gz FROHAYVLKPSLCI-INIZCTEOSA-N 0 3 352.434 3.807 20 30 FHEDHN C=CCOc1cccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000604765094 568361812 /nfs/dbraw/zinc/36/18/12/568361812.db2.gz ADDIWLDCAGJGHW-RTBURBONSA-N 0 3 365.395 3.876 20 30 FHEDHN C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824540099 608543348 /nfs/dbraw/zinc/54/33/48/608543348.db2.gz RMKXGFVTNRAOFB-LYGRKUJNSA-N 0 3 372.476 3.921 20 30 FHEDHN C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824540099 608543351 /nfs/dbraw/zinc/54/33/51/608543351.db2.gz RMKXGFVTNRAOFB-LYGRKUJNSA-N 0 3 372.476 3.921 20 30 FHEDHN CCN(Cc1cccc(Cl)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000047958684 927110390 /nfs/dbraw/zinc/11/03/90/927110390.db2.gz ZFQYUJCZVWUMDW-IBGZPJMESA-N 0 3 358.869 3.668 20 30 FHEDHN CC(C)COc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000430162468 927464683 /nfs/dbraw/zinc/46/46/83/927464683.db2.gz MEBNPQBMIMYUIK-HXUWFJFHSA-N 0 3 351.450 3.641 20 30 FHEDHN C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000186918232 927575470 /nfs/dbraw/zinc/57/54/70/927575470.db2.gz FSRQWIZGOJETRZ-OXQOHEQNSA-N 0 3 365.477 3.523 20 30 FHEDHN Cc1cccc(-c2n[nH]cc2CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000583290064 937322010 /nfs/dbraw/zinc/32/20/10/937322010.db2.gz GIBMFWPSQUYPEL-UHFFFAOYSA-N 0 3 360.461 3.905 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000180137702 929393164 /nfs/dbraw/zinc/39/31/64/929393164.db2.gz KHWBVMUWZFVIIX-UHFFFAOYSA-N 0 3 359.804 3.713 20 30 FHEDHN CN1CCC[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000610335106 930007347 /nfs/dbraw/zinc/00/73/47/930007347.db2.gz UQNUTZXEBCTVDW-INIZCTEOSA-N 0 3 368.412 3.705 20 30 FHEDHN C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348818 930062400 /nfs/dbraw/zinc/06/24/00/930062400.db2.gz LETAOXLHCYJTCI-UTKZUKDTSA-N 0 3 362.477 3.583 20 30 FHEDHN CC[C@H](C)N[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccco1 ZINC000581032640 931478388 /nfs/dbraw/zinc/47/83/88/931478388.db2.gz ZLOWJJZGSBDCME-KBXCAEBGSA-N 0 3 369.440 3.568 20 30 FHEDHN CCCc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000050681079 931511129 /nfs/dbraw/zinc/51/11/29/931511129.db2.gz LWLSZLNFLDWRHS-LJQANCHMSA-N 0 3 368.477 3.760 20 30 FHEDHN COc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c(OC)c1OC ZINC000430587582 931968082 /nfs/dbraw/zinc/96/80/82/931968082.db2.gz WLEWGQBIFBKPBV-GFCCVEGCSA-N 0 3 374.462 3.956 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(N3CCCC3)nc2)s1 ZINC000430591126 931987974 /nfs/dbraw/zinc/98/79/74/931987974.db2.gz JTPBMWCTIRDFAL-CQSZACIVSA-N 0 3 354.479 3.926 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(N3CCCC3)nc2)s1 ZINC000430591126 931987989 /nfs/dbraw/zinc/98/79/89/931987989.db2.gz JTPBMWCTIRDFAL-CQSZACIVSA-N 0 3 354.479 3.926 20 30 FHEDHN N#Cc1ccc(N2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000610504309 932000992 /nfs/dbraw/zinc/00/09/92/932000992.db2.gz OVQGITAGULVLMK-UHFFFAOYSA-N 0 3 374.410 3.727 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)CCC(=O)N3)s1 ZINC000430594181 932008228 /nfs/dbraw/zinc/00/82/28/932008228.db2.gz GEBNJHKIIYFPRL-ZDUSSCGKSA-N 0 3 353.447 3.815 20 30 FHEDHN C=CCOc1c(Br)cc(CN(C)[C@@H](C)COC)cc1OCC ZINC000510444145 932413575 /nfs/dbraw/zinc/41/35/75/932413575.db2.gz BBPLCMXOCPWNQF-ZDUSSCGKSA-N 0 3 372.303 3.879 20 30 FHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000157871912 932445463 /nfs/dbraw/zinc/44/54/63/932445463.db2.gz YUMCDAWZGVPQTR-QGZVFWFLSA-N 0 3 366.417 3.511 20 30 FHEDHN N#Cc1ccc(OCCN2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000430946226 933462069 /nfs/dbraw/zinc/46/20/69/933462069.db2.gz VDFZXMPMULLLMN-QFIPXVFZSA-N 0 3 350.462 3.661 20 30 FHEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000477872199 933909816 /nfs/dbraw/zinc/90/98/16/933909816.db2.gz GAWMZHVMUYKZPS-DLBZAZTESA-N 0 3 350.409 3.939 20 30 FHEDHN C[C@@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610774851 934158321 /nfs/dbraw/zinc/15/83/21/934158321.db2.gz YCZUIJYRONVLMM-DYESRHJHSA-N 0 3 362.477 3.535 20 30 FHEDHN C[C@@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000510979450 934248103 /nfs/dbraw/zinc/24/81/03/934248103.db2.gz OQTVNJWTCSEQKJ-APWZRJJASA-N 0 3 365.452 3.582 20 30 FHEDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cccc(SCC#N)c1 ZINC000458211402 934380487 /nfs/dbraw/zinc/38/04/87/934380487.db2.gz AQFFVCUARWRGDD-UHFFFAOYSA-N 0 3 359.520 3.568 20 30 FHEDHN COc1ccc(CC[C@@H]2CCCCN2Cc2ccnc(C#N)c2)cc1OC ZINC000610992263 934735035 /nfs/dbraw/zinc/73/50/35/934735035.db2.gz OZUXBVAPVVITAA-FQEVSTJZSA-N 0 3 365.477 3.958 20 30 FHEDHN C[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1 ZINC000187717063 935018923 /nfs/dbraw/zinc/01/89/23/935018923.db2.gz FYJTYFGDFOLBHM-LJQANCHMSA-N 0 3 373.500 3.713 20 30 FHEDHN N#Cc1ccc2c(c1)[C@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000551313455 935253311 /nfs/dbraw/zinc/25/33/11/935253311.db2.gz MKUGAWBVOFEXLC-LJQANCHMSA-N 0 3 374.893 3.653 20 30 FHEDHN CN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1cccc(C#N)c1 ZINC000551964536 935385616 /nfs/dbraw/zinc/38/56/16/935385616.db2.gz LIMGDQIHESAYCX-LJQANCHMSA-N 0 3 369.415 3.678 20 30 FHEDHN C=CCC[C@@H](C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000427143255 945121502 /nfs/dbraw/zinc/12/15/02/945121502.db2.gz HSLVYTKDLGDHPZ-SVFBPWRDSA-N 0 3 358.526 3.742 20 30 FHEDHN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCCC1 ZINC000023708950 935789906 /nfs/dbraw/zinc/78/99/06/935789906.db2.gz SNIGEWRMSWDOJX-LJQANCHMSA-N 0 3 366.421 3.724 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)c1cccc(OC)c1 ZINC000548741340 935813444 /nfs/dbraw/zinc/81/34/44/935813444.db2.gz WGEBQVNEJCAVKL-FQEVSTJZSA-N 0 3 369.440 3.519 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C#N)c1ccccc1 ZINC000516663991 945127540 /nfs/dbraw/zinc/12/75/40/945127540.db2.gz ITHIGLPZELBPFI-SFHVURJKSA-N 0 3 367.522 3.849 20 30 FHEDHN C[C@@H]1CCCCN1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000479868503 935909910 /nfs/dbraw/zinc/90/99/10/935909910.db2.gz YVIBOQCYYNQRFS-QGZVFWFLSA-N 0 3 363.461 3.955 20 30 FHEDHN N#CC(C(=O)CCSc1ccccn1)C(=O)Nc1ccc(Cl)cc1 ZINC000176722792 935933081 /nfs/dbraw/zinc/93/30/81/935933081.db2.gz BSIFEPRFOULGMI-AWEZNQCLSA-N 0 3 359.838 3.565 20 30 FHEDHN CC1CCC(N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)CC1 ZINC000438851493 945155218 /nfs/dbraw/zinc/15/52/18/945155218.db2.gz YFBFYYFUPUJQGU-MNLRITNHSA-N 0 3 368.525 3.937 20 30 FHEDHN CN1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000245644150 938309507 /nfs/dbraw/zinc/30/95/07/938309507.db2.gz LBLGOGPVVUFAMR-HKUYNNGSSA-N 0 3 365.481 3.682 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245699724 938310204 /nfs/dbraw/zinc/31/02/04/938310204.db2.gz YZPDNGQMPSLFJL-RTBURBONSA-N 0 3 355.507 3.891 20 30 FHEDHN C=C(C)[C@@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000458660416 938387997 /nfs/dbraw/zinc/38/79/97/938387997.db2.gz FPRGRIBNESPFDS-IFXJQAMLSA-N 0 3 363.452 3.708 20 30 FHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1cccc(C)n1 ZINC000248138649 938539258 /nfs/dbraw/zinc/53/92/58/938539258.db2.gz PJTPLUSCDUJYGX-TZIWHRDSSA-N 0 3 352.478 3.695 20 30 FHEDHN C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536193459 938544046 /nfs/dbraw/zinc/54/40/46/938544046.db2.gz VGCXEJZRHSXPTQ-VXKWHMMOSA-N 0 3 363.505 3.872 20 30 FHEDHN CC(C)N1CCN(c2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c2)CC1 ZINC000584094223 938595328 /nfs/dbraw/zinc/59/53/28/938595328.db2.gz HUIWWIUGJJGFEI-JOCHJYFZSA-N 0 3 366.509 3.630 20 30 FHEDHN CN(C)CCN(Cc1ccco1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458795330 938596062 /nfs/dbraw/zinc/59/60/62/938596062.db2.gz CIUULFDCKFXDSD-FQEVSTJZSA-N 0 3 368.481 3.788 20 30 FHEDHN N#CCc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000506012516 945197134 /nfs/dbraw/zinc/19/71/34/945197134.db2.gz OACSKAXIEFTHAY-IBGZPJMESA-N 0 3 369.415 3.849 20 30 FHEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC000080918554 938704047 /nfs/dbraw/zinc/70/40/47/938704047.db2.gz JOYWVQMTLVZIHM-FCHUYYIVSA-N 0 3 361.489 3.561 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2sccc21 ZINC000124264561 945203608 /nfs/dbraw/zinc/20/36/08/945203608.db2.gz DOEYWWWWFJCIFY-LJQANCHMSA-N 0 3 367.518 3.630 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCc3c2cccc3O)C1 ZINC000329789681 938804783 /nfs/dbraw/zinc/80/47/83/938804783.db2.gz CEYDMBHLEVCUPM-SYNHAJSKSA-N 0 3 365.477 3.719 20 30 FHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000248759209 938887288 /nfs/dbraw/zinc/88/72/88/938887288.db2.gz GKXKZWJDVPYPOD-WQGACYEGSA-N 0 3 352.265 3.771 20 30 FHEDHN C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1nc2c(s1)CCCC2 ZINC000093404722 938933621 /nfs/dbraw/zinc/93/36/21/938933621.db2.gz KKKBXSZQSJNGKT-AWEZNQCLSA-N 0 3 367.522 3.608 20 30 FHEDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000472336198 938994054 /nfs/dbraw/zinc/99/40/54/938994054.db2.gz DNWZTOKTDSUPEX-PIPMEXSNSA-N 0 3 359.473 3.617 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000171708939 938997355 /nfs/dbraw/zinc/99/73/55/938997355.db2.gz CGICJYKZBHVKMT-ZDUSSCGKSA-N 0 3 355.404 3.716 20 30 FHEDHN Clc1cccc(C#CCN2CCC(CCCN3CCOCC3)CC2)c1 ZINC000506023131 945227839 /nfs/dbraw/zinc/22/78/39/945227839.db2.gz SLYMSQUVAAJGTF-UHFFFAOYSA-N 0 3 360.929 3.516 20 30 FHEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)c1cccc(C#N)c1 ZINC000074917864 939188457 /nfs/dbraw/zinc/18/84/57/939188457.db2.gz NTUAVHGGIHONBO-MRXNPFEDSA-N 0 3 368.456 3.532 20 30 FHEDHN CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000425791488 945260164 /nfs/dbraw/zinc/26/01/64/945260164.db2.gz UOSUBQDYEPFXHQ-BXWFABGCSA-N 0 3 368.481 3.983 20 30 FHEDHN C[C@@H](CC(=O)C(C#N)C(=O)NCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000179792585 939936932 /nfs/dbraw/zinc/93/69/32/939936932.db2.gz JNTVGMKRIKWTOU-BEFAXECRSA-N 0 3 368.864 3.934 20 30 FHEDHN C=CCOc1ccc(CN[C@H]2CCN(C(C)=O)Cc3ccccc32)cc1 ZINC000375863784 939986353 /nfs/dbraw/zinc/98/63/53/939986353.db2.gz YHJLDSNIAOJTJE-QFIPXVFZSA-N 0 3 350.462 3.835 20 30 FHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cncc(C(C)=O)c2)cc1 ZINC000892490046 940026730 /nfs/dbraw/zinc/02/67/30/940026730.db2.gz OPFPGLJQMZJUAS-LJQANCHMSA-N 0 3 363.417 3.588 20 30 FHEDHN Cn1cc([C@H](NC2CCN(c3ccc(C#N)cc3)CC2)c2ccccc2)cn1 ZINC000375894008 940031901 /nfs/dbraw/zinc/03/19/01/940031901.db2.gz BRWMXCGIMKHYAS-HSZRJFAPSA-N 0 3 371.488 3.640 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000892496291 940063676 /nfs/dbraw/zinc/06/36/76/940063676.db2.gz XSHDUQIJTPYCJX-QZTJIDSGSA-N 0 3 368.477 3.951 20 30 FHEDHN N#Cc1ncn(C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)n1 ZINC000375921839 940065493 /nfs/dbraw/zinc/06/54/93/940065493.db2.gz SONCJTHEXTVICN-UHFFFAOYSA-N 0 3 373.460 3.566 20 30 FHEDHN C(#CCN1CCC[C@@H](c2ccccn2)C1)CN1CCC[C@@H](c2ccccn2)C1 ZINC000660625905 945323430 /nfs/dbraw/zinc/32/34/30/945323430.db2.gz LKVJGKXUHGYNCQ-FGZHOGPDSA-N 0 3 374.532 3.539 20 30 FHEDHN C=CCC(C)(C)CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000458805560 940492246 /nfs/dbraw/zinc/49/22/46/940492246.db2.gz AUULAJQVGPEMQI-HDICACEKSA-N 0 3 365.562 3.510 20 30 FHEDHN C=CCCCC(=O)Nc1ccc(N2CCN(CCC)CC2)cc1OCC ZINC000507592605 945336874 /nfs/dbraw/zinc/33/68/74/945336874.db2.gz FPXZRFBPHAABDD-UHFFFAOYSA-N 0 3 359.514 3.912 20 30 FHEDHN Cc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)s2)N2CCCC2)cc1 ZINC000582599341 940754231 /nfs/dbraw/zinc/75/42/31/940754231.db2.gz PRFKLLLEGQOZCR-LJQANCHMSA-N 0 3 368.506 3.565 20 30 FHEDHN N#Cc1ccccc1CSCCNCc1ccc(Br)o1 ZINC000170670767 940774243 /nfs/dbraw/zinc/77/42/43/940774243.db2.gz YFJABAJJXFGSHM-UHFFFAOYSA-N 0 3 351.269 3.937 20 30 FHEDHN O=C(NCc1noc(-c2ccccc2F)n1)[C@@H]1CCCN1C1CCCC1 ZINC000330093429 945353158 /nfs/dbraw/zinc/35/31/58/945353158.db2.gz RMRSBFIVYJXZTM-INIZCTEOSA-N 0 3 358.417 3.739 20 30 FHEDHN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124912768 945354604 /nfs/dbraw/zinc/35/46/04/945354604.db2.gz LQENPGCDBPRXHQ-ZYHUDNBSSA-N 0 3 371.289 3.805 20 30 FHEDHN C=CCCOCCNCc1cc(Br)ccc1OC(F)F ZINC000229879791 940890939 /nfs/dbraw/zinc/89/09/39/940890939.db2.gz BXMXWTMCUFMBIK-UHFFFAOYSA-N 0 3 350.203 3.733 20 30 FHEDHN C=CCN(CC1CCCCC1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659035190 941039426 /nfs/dbraw/zinc/03/94/26/941039426.db2.gz UWDZZPNLCNSISV-FQEVSTJZSA-N 0 3 357.498 3.948 20 30 FHEDHN N#Cc1cc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c[nH]1 ZINC000181316982 941121506 /nfs/dbraw/zinc/12/15/06/941121506.db2.gz FIVHVYZYSLFZKB-UHFFFAOYSA-N 0 3 362.477 3.547 20 30 FHEDHN CN(CCN1CCCC1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000103118215 941144297 /nfs/dbraw/zinc/14/42/97/941144297.db2.gz NFYWCFGUNDGXAD-UHFFFAOYSA-N 0 3 365.502 3.877 20 30 FHEDHN C=CCN(C(=O)c1ccnc2ccncc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000376914257 941462828 /nfs/dbraw/zinc/46/28/28/941462828.db2.gz KIMUPFWDYZSHTD-LJQANCHMSA-N 0 3 372.472 3.533 20 30 FHEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCC(C)(C)CCC#N ZINC000376992620 941489072 /nfs/dbraw/zinc/48/90/72/941489072.db2.gz ITBPHEYBZUTVPR-GOSISDBHSA-N 0 3 356.514 3.622 20 30 FHEDHN CN1CCC(N(Cc2ccccc2)C(=O)NCC(C)(C)CCC#N)CC1 ZINC000377034391 941499015 /nfs/dbraw/zinc/49/90/15/941499015.db2.gz WITLEOLCYBNRMI-UHFFFAOYSA-N 0 3 356.514 3.622 20 30 FHEDHN C=CCCC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000377306967 941633510 /nfs/dbraw/zinc/63/35/10/941633510.db2.gz RQXKPJJMPGEABN-UHFFFAOYSA-N 0 3 365.315 3.838 20 30 FHEDHN C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@@H](C)CN1 ZINC000415239995 941695025 /nfs/dbraw/zinc/69/50/25/941695025.db2.gz PIFPMCFOBRKWNB-KBPBESRZSA-N 0 3 368.412 3.704 20 30 FHEDHN N#Cc1ccc(CCN2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000659841144 941697565 /nfs/dbraw/zinc/69/75/65/941697565.db2.gz LUABRSKPPKCYRF-UHFFFAOYSA-N 0 3 354.400 3.974 20 30 FHEDHN N#CC(C(=O)c1cc(F)cc2nccnc21)c1ccc(C(F)(F)F)cn1 ZINC000614468282 941742398 /nfs/dbraw/zinc/74/23/98/941742398.db2.gz SDKOIZRTEAXFTA-GFCCVEGCSA-N 0 3 360.270 3.673 20 30 FHEDHN Cc1cc(NC(=O)CC(C)(C)C#N)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000377538156 941790057 /nfs/dbraw/zinc/79/00/57/941790057.db2.gz SYWVTZJJFJTKSB-GOSISDBHSA-N 0 3 365.481 3.517 20 30 FHEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1 ZINC000513543805 942004739 /nfs/dbraw/zinc/00/47/39/942004739.db2.gz ZOCSBOBOEJTSPX-ZBFHGGJFSA-N 0 3 371.485 3.959 20 30 FHEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1 ZINC000513543804 942004928 /nfs/dbraw/zinc/00/49/28/942004928.db2.gz ZOCSBOBOEJTSPX-HOCLYGCPSA-N 0 3 371.485 3.959 20 30 FHEDHN C=C[C@@H](CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1 ZINC000533930641 942146245 /nfs/dbraw/zinc/14/62/45/942146245.db2.gz UNJKWOYTMNVJFU-IBGZPJMESA-N 0 3 364.489 3.942 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2c(CC)onc2-c2ccccc2)CC1 ZINC000280594347 942211506 /nfs/dbraw/zinc/21/15/06/942211506.db2.gz UCDDHHHYKYMQSH-UHFFFAOYSA-N 0 3 353.466 3.674 20 30 FHEDHN C[C@H](NCc1cnc(N(C)C)n1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419693285 942353954 /nfs/dbraw/zinc/35/39/54/942353954.db2.gz NCPZUTCWOHTQJA-INIZCTEOSA-N 0 3 359.477 3.876 20 30 FHEDHN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000502563429 942544502 /nfs/dbraw/zinc/54/45/02/942544502.db2.gz OCOXIQRKNPZXTQ-VCTAVGKDSA-N 0 3 371.815 3.679 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-n3cc[nH]c3=O)cc2)s1 ZINC000651352943 942553192 /nfs/dbraw/zinc/55/31/92/942553192.db2.gz OJWDKUWHEAJFHL-CQSZACIVSA-N 0 3 366.446 3.822 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(-n3cc[nH]c3=O)cc2)s1 ZINC000651352943 942553194 /nfs/dbraw/zinc/55/31/94/942553194.db2.gz OJWDKUWHEAJFHL-CQSZACIVSA-N 0 3 366.446 3.822 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000434493260 942710357 /nfs/dbraw/zinc/71/03/57/942710357.db2.gz SVMLNNPZFZOSEE-LEWJYISDSA-N 0 3 368.525 3.600 20 30 FHEDHN Cc1ccc(CC2CCN(C([O-])=[NH+][C@@H]3CCc4nc[nH]c4C3)CC2)cc1C ZINC000330205336 942831354 /nfs/dbraw/zinc/83/13/54/942831354.db2.gz DJHSCUZJKAEBJW-LJQANCHMSA-N 0 3 366.509 3.753 20 30 FHEDHN N#Cc1ccc(NC(=O)CN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000378528362 942865485 /nfs/dbraw/zinc/86/54/85/942865485.db2.gz SUAYQCIOXUPHNU-OXQOHEQNSA-N 0 3 369.852 3.518 20 30 FHEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000466926974 942891019 /nfs/dbraw/zinc/89/10/19/942891019.db2.gz OJVFPLKSXXHBPJ-DLBZAZTESA-N 0 3 369.534 3.916 20 30 FHEDHN C=CCn1c(SCCN(C)Cc2ccccc2)nnc1-c1ccncc1 ZINC000430106562 942902748 /nfs/dbraw/zinc/90/27/48/942902748.db2.gz RELUONAUUUYGEK-UHFFFAOYSA-N 0 3 365.506 3.750 20 30 FHEDHN CC[C@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000505508901 942945137 /nfs/dbraw/zinc/94/51/37/942945137.db2.gz YHYZMZWGHBBSEP-VQTJNVASSA-N 0 3 356.514 3.600 20 30 FHEDHN C[C@@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(OCC#N)cc1 ZINC000271901630 943068017 /nfs/dbraw/zinc/06/80/17/943068017.db2.gz VQVFXTUTVIUGBK-QGZVFWFLSA-N 0 3 350.466 3.825 20 30 FHEDHN CCc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000047944027 943123847 /nfs/dbraw/zinc/12/38/47/943123847.db2.gz SHIPVRMGIQQCRJ-IERDGZPVSA-N 0 3 364.493 3.784 20 30 FHEDHN CS(=O)(=O)c1cccc([C@@H](NCCCCC#N)c2ccc(F)cc2)c1 ZINC000272501473 943167204 /nfs/dbraw/zinc/16/72/04/943167204.db2.gz VOJXDYAYWVHHBT-IBGZPJMESA-N 0 3 360.454 3.602 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000425368971 943384760 /nfs/dbraw/zinc/38/47/60/943384760.db2.gz YSQYABIYVNIHHJ-HZPDHXFCSA-N 0 3 356.491 3.758 20 30 FHEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CN(C[C@@H](CC)CCCC)C[C@@H](C1)O2 ZINC001269977033 943469822 /nfs/dbraw/zinc/46/98/22/943469822.db2.gz GVZOVWZVUZDYPZ-GBESFXJTSA-N 0 3 350.547 3.717 20 30 FHEDHN C=CC[C@@H](C)NC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435538555 943474650 /nfs/dbraw/zinc/47/46/50/943474650.db2.gz WVFBAUALHCOENL-APWZRJJASA-N 0 3 367.497 3.725 20 30 FHEDHN CC(C)Oc1ccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1C#N ZINC000435554634 943484484 /nfs/dbraw/zinc/48/44/84/943484484.db2.gz SRMWYHNOSCLFJV-IBGZPJMESA-N 0 3 366.465 3.770 20 30 FHEDHN C#CCOc1cccc(OC(=O)C2(C)CCN(Cc3ccccc3)CC2)c1 ZINC001125906681 943645357 /nfs/dbraw/zinc/64/53/57/943645357.db2.gz HPGRNYNTPTYVGY-UHFFFAOYSA-N 0 3 363.457 3.906 20 30 FHEDHN CCc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2C)N(C)C)cc1 ZINC000431950622 943648196 /nfs/dbraw/zinc/64/81/96/943648196.db2.gz MHRULGVEEKVNLC-HXUWFJFHSA-N 0 3 350.466 3.854 20 30 FHEDHN C[S@@](=O)Cc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000584809031 943655616 /nfs/dbraw/zinc/65/56/16/943655616.db2.gz APOPLRKUWRLDNH-RUZDIDTESA-N 0 3 366.408 3.745 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000424078030 943711541 /nfs/dbraw/zinc/71/15/41/943711541.db2.gz OZQFDHXZPHWFNV-LLVKDONJSA-N 0 3 353.266 3.684 20 30 FHEDHN CCCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@H](N)CCCC#N ZINC000424088121 943724621 /nfs/dbraw/zinc/72/46/21/943724621.db2.gz JCCIVELPJYXLEB-CYBMUJFWSA-N 0 3 356.392 3.877 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000424087722 943724756 /nfs/dbraw/zinc/72/47/56/943724756.db2.gz FKJLRGFMRPRXMV-ROUUACIJSA-N 0 3 359.832 3.706 20 30 FHEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000424094944 943729471 /nfs/dbraw/zinc/72/94/71/943729471.db2.gz MNMXGTRPYFROOH-KDOFPFPSSA-N 0 3 355.413 3.816 20 30 FHEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000424094943 943729610 /nfs/dbraw/zinc/72/96/10/943729610.db2.gz MNMXGTRPYFROOH-KBXCAEBGSA-N 0 3 355.413 3.816 20 30 FHEDHN CC(C)[C@H](CNC(=O)[C@H](N)CCCC#N)Cc1ccc(Cl)cc1Cl ZINC000424135210 943747416 /nfs/dbraw/zinc/74/74/16/943747416.db2.gz JCIFEQPNLHANBT-WMLDXEAASA-N 0 3 370.324 3.945 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000424154613 943755237 /nfs/dbraw/zinc/75/52/37/943755237.db2.gz ONELZBWDNWQTQN-WOJBJXKFSA-N 0 3 367.880 3.987 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)OC1CCCCCC1 ZINC000162449221 943769686 /nfs/dbraw/zinc/76/96/86/943769686.db2.gz KWDNBKVCTWMPDH-DOTOQJQBSA-N 0 3 372.465 3.861 20 30 FHEDHN COc1cccc([C@H]2[C@@H](NCc3ccc(F)cc3C#N)CCN2C2CC2)c1 ZINC000549476708 943813325 /nfs/dbraw/zinc/81/33/25/943813325.db2.gz GYKTWGISLBSKJZ-VXKWHMMOSA-N 0 3 365.452 3.774 20 30 FHEDHN C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000425438384 943936700 /nfs/dbraw/zinc/93/67/00/943936700.db2.gz ANYAUPWTSVWPNY-ROUUACIJSA-N 0 3 364.493 3.781 20 30 FHEDHN C=CCCc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000505010616 943967546 /nfs/dbraw/zinc/96/75/46/943967546.db2.gz JMAJRXJNXZHRDC-QGZVFWFLSA-N 0 3 357.498 3.522 20 30 FHEDHN CCCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000425853273 944011737 /nfs/dbraw/zinc/01/17/37/944011737.db2.gz VXXCKCVMJTVFFM-HBMCJLEFSA-N 0 3 368.525 3.765 20 30 FHEDHN C[C@@H]1CC[C@@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2sccc21 ZINC000515599132 944036130 /nfs/dbraw/zinc/03/61/30/944036130.db2.gz HWPVZRMTVRNWON-NIKGAXFTSA-N 0 3 365.502 3.949 20 30 FHEDHN C[C@@H]1CN(c2ccccc2CN[C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000418139095 944198731 /nfs/dbraw/zinc/19/87/31/944198731.db2.gz DIZWTENHFGQXSI-VGSWGCGISA-N 0 3 361.489 3.951 20 30 FHEDHN N#Cc1cccc(NC(=O)C2CCN(c3ccnc4ccccc43)CC2)c1 ZINC000517639386 944460080 /nfs/dbraw/zinc/46/00/80/944460080.db2.gz UADWDROAOQYARW-UHFFFAOYSA-N 0 3 356.429 3.962 20 30 FHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000516298863 944682289 /nfs/dbraw/zinc/68/22/89/944682289.db2.gz ZBHMVEHHZMYBHL-GOSISDBHSA-N 0 3 356.510 3.626 20 30 FHEDHN CCCCCCCC(=O)N1CCC[C@]2(C1)CN(C1CCCC1)CCO2 ZINC001270134481 944706338 /nfs/dbraw/zinc/70/63/38/944706338.db2.gz NAZVVTAECBBASX-OAQYLSRUSA-N 0 3 350.547 3.983 20 30 FHEDHN C=CCOc1cccc(CN2CCC(C(=O)OC)(c3ccccc3)CC2)c1 ZINC000506651599 944883445 /nfs/dbraw/zinc/88/34/45/944883445.db2.gz BSMTUALDSPTVLE-UHFFFAOYSA-N 0 3 365.473 3.958 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000518008079 944912177 /nfs/dbraw/zinc/91/21/77/944912177.db2.gz SMXSJFWHKIZOGJ-UHFFFAOYSA-N 0 3 366.303 3.920 20 30 FHEDHN COc1cc2c(c(OC)c1OC)CCN([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000432030602 944936155 /nfs/dbraw/zinc/93/61/55/944936155.db2.gz GRFVSOGQGOHJOT-OAHLLOKOSA-N 0 3 366.461 3.746 20 30 FHEDHN C=CCN1CCC(NC(=O)NCC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000432083981 945026211 /nfs/dbraw/zinc/02/62/11/945026211.db2.gz BJRNVHYSOOREKL-QGZVFWFLSA-N 0 3 369.431 3.672 20 30 FHEDHN Cc1cc(O[C@H](C)C(=O)C(C#N)c2nnc3n2CCCCC3)ccc1Cl ZINC000125006584 945460435 /nfs/dbraw/zinc/46/04/35/945460435.db2.gz RUVVJEJATXSLKH-HIFRSBDPSA-N 0 3 372.856 3.610 20 30 FHEDHN N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3[C@H]3CCCC[C@@H]3O)o2)cc1 ZINC000281065645 945515062 /nfs/dbraw/zinc/51/50/62/945515062.db2.gz SKSKANINAHRDNE-QRVBRYPASA-N 0 3 366.465 3.514 20 30 FHEDHN C[C@H](C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)N1CCCCCC1 ZINC000330329690 945569135 /nfs/dbraw/zinc/56/91/35/945569135.db2.gz MTXWCGYPCJTUDE-KGLIPLIRSA-N 0 3 372.435 3.685 20 30 FHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000661117875 945750052 /nfs/dbraw/zinc/75/00/52/945750052.db2.gz UTSWCYPCUZHMNK-NVXWUHKLSA-N 0 3 372.538 3.745 20 30 FHEDHN C=CC[C@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)C1 ZINC000661382181 946049445 /nfs/dbraw/zinc/04/94/45/946049445.db2.gz UBFIICRIABJQPY-PKOBYXMFSA-N 0 3 372.509 3.655 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000522975103 946194846 /nfs/dbraw/zinc/19/48/46/946194846.db2.gz POWWUYHQYJXOOK-IBGZPJMESA-N 0 3 373.497 3.926 20 30 FHEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103165173 946226918 /nfs/dbraw/zinc/22/69/18/946226918.db2.gz UMXYUACIGUCOGN-HOTGVXAUSA-N 0 3 356.441 3.746 20 30 FHEDHN CC(C)(Cc1ccc(Br)cc1)NCc1nc(C#N)cs1 ZINC000520293960 946372818 /nfs/dbraw/zinc/37/28/18/946372818.db2.gz MANQJFNEQOKYMP-UHFFFAOYSA-N 0 3 350.285 3.888 20 30 FHEDHN FC(F)(F)Oc1ccc(C#CCN2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441274247 946386045 /nfs/dbraw/zinc/38/60/45/946386045.db2.gz BQDZRXDFMOOFMJ-SJORKVTESA-N 0 3 353.384 3.685 20 30 FHEDHN Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000441332196 946463753 /nfs/dbraw/zinc/46/37/53/946463753.db2.gz QLKFLQAJHGNLSG-YADHBBJMSA-N 0 3 361.489 3.751 20 30 FHEDHN N#CCCn1cc(CN2CCC(O)(C3CCC3)CC2)c(-c2ccccc2)n1 ZINC000897035201 946504457 /nfs/dbraw/zinc/50/44/57/946504457.db2.gz PYUDZCVBMFWLTI-UHFFFAOYSA-N 0 3 364.493 3.591 20 30 FHEDHN C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823894135 946504655 /nfs/dbraw/zinc/50/46/55/946504655.db2.gz INVMOVFQOYIQIA-FOIQADDNSA-N 0 3 363.465 3.511 20 30 FHEDHN C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823894135 946504667 /nfs/dbraw/zinc/50/46/67/946504667.db2.gz INVMOVFQOYIQIA-FOIQADDNSA-N 0 3 363.465 3.511 20 30 FHEDHN CN(C)c1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000066905261 946506081 /nfs/dbraw/zinc/50/60/81/946506081.db2.gz HIOIJDXSNLUYOQ-UHFFFAOYSA-N 0 3 372.472 3.888 20 30 FHEDHN C=CCN(CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)C(C)(C)C ZINC000661755359 946591743 /nfs/dbraw/zinc/59/17/43/946591743.db2.gz PMMLSGTWTJNMHT-GOSISDBHSA-N 0 3 360.498 3.654 20 30 FHEDHN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328690563 946989429 /nfs/dbraw/zinc/98/94/29/946989429.db2.gz BSYSPICNTPCLAC-MTFMMBMASA-N 0 3 374.525 3.957 20 30 FHEDHN CCN1CCC[C@@H](NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)C1 ZINC000328701592 946995825 /nfs/dbraw/zinc/99/58/25/946995825.db2.gz WTKRVHBIPDGECB-IUODEOHRSA-N 0 3 371.934 3.597 20 30 FHEDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1nc2ccccc2s1 ZINC000328831934 947055382 /nfs/dbraw/zinc/05/53/82/947055382.db2.gz KOFVAPLIUSOHTP-YNZJMPHRSA-N 0 3 358.467 3.760 20 30 FHEDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1nc2ccccc2s1 ZINC000328831931 947055529 /nfs/dbraw/zinc/05/55/29/947055529.db2.gz KOFVAPLIUSOHTP-NKFCBESUSA-N 0 3 358.467 3.760 20 30 FHEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1ccc(SC)s1)CC2 ZINC001142018366 947056959 /nfs/dbraw/zinc/05/69/59/947056959.db2.gz DVROJNISGYPWFG-UHFFFAOYSA-N 0 3 352.525 3.690 20 30 FHEDHN C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CCN1CC(C)(C)O ZINC000444795267 947233658 /nfs/dbraw/zinc/23/36/58/947233658.db2.gz UOLITGKRKNYZGD-GOSISDBHSA-N 0 3 363.505 3.502 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CC=C(c3ccccc3Cl)CC2)CC1 ZINC000093797304 947261972 /nfs/dbraw/zinc/26/19/72/947261972.db2.gz SLQNJLSNOQQTLA-UHFFFAOYSA-N 0 3 359.901 3.789 20 30 FHEDHN Cc1cc(CN(C)C)cc(NC(=O)C2(NC(=O)NC(C)C)CCCCC2)c1 ZINC000331006257 947331651 /nfs/dbraw/zinc/33/16/51/947331651.db2.gz QAHVCZZSFQMBSB-UHFFFAOYSA-N 0 3 374.529 3.610 20 30 FHEDHN C=CCC[C@@H]([NH2+]CCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573334149 947448853 /nfs/dbraw/zinc/44/88/53/947448853.db2.gz KLARRXIMVATWPN-HXUWFJFHSA-N 0 3 363.465 3.933 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)CC(F)F ZINC000888954878 947484591 /nfs/dbraw/zinc/48/45/91/947484591.db2.gz WBPCIAQJSAIEDL-UHFFFAOYSA-N 0 3 351.441 3.520 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2NCCC)CC1 ZINC000150781164 947541818 /nfs/dbraw/zinc/54/18/18/947541818.db2.gz GYGXAVPSUCYTON-UHFFFAOYSA-N 0 3 367.415 3.811 20 30 FHEDHN C=CCOc1cccc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)c1 ZINC000523767817 947592469 /nfs/dbraw/zinc/59/24/69/947592469.db2.gz YDLJEZVTUJKPKW-UHFFFAOYSA-N 0 3 357.498 3.980 20 30 FHEDHN COc1ccc(C#N)cc1CN(Cc1ccccc1)CC1(O)CCCC1 ZINC000438601018 948302521 /nfs/dbraw/zinc/30/25/21/948302521.db2.gz SZGBRGJSQGOFPL-UHFFFAOYSA-N 0 3 350.462 3.874 20 30 FHEDHN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cc(C#N)ccn1 ZINC001167842922 948395211 /nfs/dbraw/zinc/39/52/11/948395211.db2.gz COQNDMFJWNHBTK-YWZLYKJASA-N 0 3 358.486 3.516 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(Cc2ccccc2OC)CC1 ZINC000524002628 948756908 /nfs/dbraw/zinc/75/69/08/948756908.db2.gz RHIGHTZELZAJRK-GOSISDBHSA-N 0 3 358.526 3.763 20 30 FHEDHN CN1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000069203131 221322906 /nfs/dbraw/zinc/32/29/06/221322906.db2.gz QMKSZVBUIYNKJW-UHFFFAOYSA-N 0 3 350.422 3.566 20 30 FHEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCCC(=O)Nc1ccccc1C#N ZINC000481387142 567882823 /nfs/dbraw/zinc/88/28/23/567882823.db2.gz BCVZVMJELKKDFK-XOBRGWDASA-N 0 3 371.868 3.906 20 30 FHEDHN CCOc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)ccc1OC(F)F ZINC000602520808 567987201 /nfs/dbraw/zinc/98/72/01/567987201.db2.gz MNFOJULVHHEZRH-AWEZNQCLSA-N 0 3 368.424 3.875 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000602507020 567988828 /nfs/dbraw/zinc/98/88/28/567988828.db2.gz NHTGMMPIQXIKOZ-INIZCTEOSA-N 0 3 367.449 3.720 20 30 FHEDHN Cc1cc(Br)ccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602549931 567990531 /nfs/dbraw/zinc/99/05/31/567990531.db2.gz FVMGKZVJAVCXNB-CQSZACIVSA-N 0 3 351.288 3.946 20 30 FHEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602586121 567994391 /nfs/dbraw/zinc/99/43/91/567994391.db2.gz ZMEMTQVRPGKJEB-CVEARBPZSA-N 0 3 371.378 3.919 20 30 FHEDHN CC(C)Oc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1Br ZINC000602603379 567996929 /nfs/dbraw/zinc/99/69/29/567996929.db2.gz ZCHYLRGZFOUMQT-CQSZACIVSA-N 0 3 368.275 3.586 20 30 FHEDHN Cn1nc(C(=O)OC(C)(C)C)cc1CN[C@H](CCCC#N)c1ccccc1 ZINC000602668740 568014505 /nfs/dbraw/zinc/01/45/05/568014505.db2.gz FPXRZJNLXWWWQC-GOSISDBHSA-N 0 3 368.481 3.900 20 30 FHEDHN CCOc1ccc(CN(C)CCOCc2ccc(C#N)cc2)cc1OC ZINC000568448337 568039246 /nfs/dbraw/zinc/03/92/46/568039246.db2.gz HJDLLKTUABGINJ-UHFFFAOYSA-N 0 3 354.450 3.614 20 30 FHEDHN CC(C)(COc1ncccc1C(F)(F)F)NCc1ccc(C#N)s1 ZINC000120376837 568068864 /nfs/dbraw/zinc/06/88/64/568068864.db2.gz SFWNNHPRWMPRJM-UHFFFAOYSA-N 0 3 355.385 3.981 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCN(c2ccccc2F)C1=O ZINC000481677961 568085756 /nfs/dbraw/zinc/08/57/56/568085756.db2.gz MRJVJMINTNNPLV-PMACEKPBSA-N 0 3 363.436 3.860 20 30 FHEDHN C[C@H](NCC(=O)NCc1cccc(C#N)c1)C1(c2ccccc2)CCCC1 ZINC000481826769 568138543 /nfs/dbraw/zinc/13/85/43/568138543.db2.gz YBTVBKAGIDSVHB-SFHVURJKSA-N 0 3 361.489 3.665 20 30 FHEDHN CN(C)C(=O)[C@H](Cc1ccccc1)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481898158 568173726 /nfs/dbraw/zinc/17/37/26/568173726.db2.gz AVOQZGPPDPORBU-YADHBBJMSA-N 0 3 361.489 3.615 20 30 FHEDHN Cc1ccc([C@@H](C)N(C)C[C@H](O)COc2ccc(CC#N)cc2)c(C)c1 ZINC000604081570 568209131 /nfs/dbraw/zinc/20/91/31/568209131.db2.gz XFQGREGUJUNXEC-QUCCMNQESA-N 0 3 352.478 3.802 20 30 FHEDHN N#Cc1ccc(CN2CCC(N[C@H]3CCOc4ccc(F)cc43)CC2)cc1 ZINC000181945158 568243203 /nfs/dbraw/zinc/24/32/03/568243203.db2.gz GPBKZTDRCCOYTN-NRFANRHFSA-N 0 3 365.452 3.775 20 30 FHEDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C1(CC)CC ZINC000482145112 568285040 /nfs/dbraw/zinc/28/50/40/568285040.db2.gz CPOLVUDXJOPECU-DLBZAZTESA-N 0 3 363.889 3.724 20 30 FHEDHN N#Cc1cc(F)c(N2CC[C@H](N3CCCCC3)C2)cc1Br ZINC000313990441 568330733 /nfs/dbraw/zinc/33/07/33/568330733.db2.gz NTBUSYHXJTULEP-ZDUSSCGKSA-N 0 3 352.251 3.524 20 30 FHEDHN C=CCOc1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000604766019 568361951 /nfs/dbraw/zinc/36/19/51/568361951.db2.gz MWNFCDCAQRKWPE-RBUKOAKNSA-N 0 3 365.395 3.876 20 30 FHEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(OCC(F)(F)F)cc1 ZINC000570871565 568576657 /nfs/dbraw/zinc/57/66/57/568576657.db2.gz HTQXVKSDPDPQTI-CYBMUJFWSA-N 0 3 374.366 3.998 20 30 FHEDHN C[C@@H](NC[C@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000324151069 568730344 /nfs/dbraw/zinc/73/03/44/568730344.db2.gz BOHCGOYEDSYXCM-DOMZBBRYSA-N 0 3 365.260 3.956 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC[C@H](C)c2ccccc2)c1 ZINC000160149527 927045544 /nfs/dbraw/zinc/04/55/44/927045544.db2.gz QIPPHLHVLTUTLP-HNAYVOBHSA-N 0 3 350.418 3.926 20 30 FHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)c2ccccc2)cc1 ZINC000160194236 927222136 /nfs/dbraw/zinc/22/21/36/927222136.db2.gz RKJNQULSNWCLQB-DNVCBOLYSA-N 0 3 350.418 3.926 20 30 FHEDHN C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000186918179 927575544 /nfs/dbraw/zinc/57/55/44/927575544.db2.gz FSRQWIZGOJETRZ-JXFKEZNVSA-N 0 3 365.477 3.523 20 30 FHEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3nccs3)n2)cc1 ZINC000179471294 928776297 /nfs/dbraw/zinc/77/62/97/928776297.db2.gz ABQLNOUGYLEKOQ-LBPRGKRZSA-N 0 3 356.432 3.521 20 30 FHEDHN N#Cc1ccc(CNC2CCN(Cc3ccc(Br)cc3)CC2)o1 ZINC000134601587 929093241 /nfs/dbraw/zinc/09/32/41/929093241.db2.gz WNFIRKAXQGTMEH-UHFFFAOYSA-N 0 3 374.282 3.668 20 30 FHEDHN Cc1cc(Cl)ccc1O[C@H](C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000120618938 929115455 /nfs/dbraw/zinc/11/54/55/929115455.db2.gz UMOACIMXWSPBAA-HIFRSBDPSA-N 0 3 372.856 3.610 20 30 FHEDHN Cc1cc(F)ccc1N1CCC[C@@H](N[C@@H](C)c2cccc(C#N)c2)C1=O ZINC000610346470 930056316 /nfs/dbraw/zinc/05/63/16/930056316.db2.gz VKQXFDKWTONACB-HNAYVOBHSA-N 0 3 351.425 3.852 20 30 FHEDHN C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1cccc(C#N)c1 ZINC000610356382 930109176 /nfs/dbraw/zinc/10/91/76/930109176.db2.gz QNYBMCXJQHACKJ-LAUBAEHRSA-N 0 3 362.477 3.756 20 30 FHEDHN C[C@@H]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](c2ccco2)C1 ZINC000610372175 930177402 /nfs/dbraw/zinc/17/74/02/930177402.db2.gz HLTQLNMXBXHYBV-IMFGXOCKSA-N 0 3 354.450 3.559 20 30 FHEDHN CCc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000610400189 930368048 /nfs/dbraw/zinc/36/80/48/930368048.db2.gz QKEGCJPOWRVYCR-KKSFZXQISA-N 0 3 364.493 3.784 20 30 FHEDHN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000148541245 930498590 /nfs/dbraw/zinc/49/85/90/930498590.db2.gz XKPRAVIWTOFPAP-UHFFFAOYSA-N 0 3 367.453 3.700 20 30 FHEDHN CC(C)[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CCN1 ZINC001167380106 930507204 /nfs/dbraw/zinc/50/72/04/930507204.db2.gz WEOAHZIPMNBMTN-SFHVURJKSA-N 0 3 365.502 3.779 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(C)n1 ZINC000078557754 930828197 /nfs/dbraw/zinc/82/81/97/930828197.db2.gz NOCXQIDKEIOAIL-UHFFFAOYSA-N 0 3 363.556 3.550 20 30 FHEDHN Cc1ccccc1[C@H](OC[C@H](O)CN1CCC(C#N)CC1)c1ccccc1 ZINC000145654233 930863671 /nfs/dbraw/zinc/86/36/71/930863671.db2.gz AARKXBNSLXPQIQ-FYYLOGMGSA-N 0 3 364.489 3.698 20 30 FHEDHN COc1cc(CNCc2ccc(OC)c(OCCCC#N)c2)ccc1C ZINC000064614511 931542310 /nfs/dbraw/zinc/54/23/10/931542310.db2.gz XBBZPQHGQWGMGH-UHFFFAOYSA-N 0 3 354.450 3.985 20 30 FHEDHN COc1cc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc(OC)c1OC ZINC000581161320 931625456 /nfs/dbraw/zinc/62/54/56/931625456.db2.gz UMRLJUGNTHFIKZ-SCLBCKFNSA-N 0 3 352.434 3.922 20 30 FHEDHN CN(Cc1ccc(I)cc1)Cc1cccc(C#N)c1 ZINC000088174625 932233016 /nfs/dbraw/zinc/23/30/16/932233016.db2.gz XEEWFAHVTQZGBG-UHFFFAOYSA-N 0 3 362.214 3.795 20 30 FHEDHN N#Cc1cccc(OC2CCN(CCc3nc(-c4ccccc4)no3)CC2)c1 ZINC000157911818 932576674 /nfs/dbraw/zinc/57/66/74/932576674.db2.gz PLPBXNXZMXCSIW-UHFFFAOYSA-N 0 3 374.444 3.694 20 30 FHEDHN CCc1oc2ccccc2c1CN(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000610556505 932957339 /nfs/dbraw/zinc/95/73/39/932957339.db2.gz JNDIWVAFVFGDIO-QGZVFWFLSA-N 0 3 364.445 3.739 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000471810095 932998498 /nfs/dbraw/zinc/99/84/98/932998498.db2.gz MYZFZMISPPFJAV-PXNSSMCTSA-N 0 3 359.489 3.802 20 30 FHEDHN C[C@@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)N1CCCCCC1 ZINC000510744573 933617058 /nfs/dbraw/zinc/61/70/58/933617058.db2.gz ADZGWDWASGKMIN-KKXNLOMOSA-N 0 3 369.509 3.629 20 30 FHEDHN C=CCOc1ccccc1CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000091949341 933736213 /nfs/dbraw/zinc/73/62/13/933736213.db2.gz XERBRZOFHJSTQL-SFHVURJKSA-N 0 3 356.510 3.722 20 30 FHEDHN CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000471927180 933834664 /nfs/dbraw/zinc/83/46/64/933834664.db2.gz ADJCPGXNMZEEGK-MSOLQXFVSA-N 0 3 354.841 3.779 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000178405350 933964458 /nfs/dbraw/zinc/96/44/58/933964458.db2.gz MIUVQYBYWYPHSZ-UHFFFAOYSA-N 0 3 362.477 3.649 20 30 FHEDHN Cc1ccc(CNC(=O)C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000187664838 934132566 /nfs/dbraw/zinc/13/25/66/934132566.db2.gz CFHBAGPELWGKIH-SFHVURJKSA-N 0 3 361.489 3.956 20 30 FHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000187666350 934134226 /nfs/dbraw/zinc/13/42/26/934134226.db2.gz HLZRNKQTOMIRGV-HNNXBMFYSA-N 0 3 359.433 3.944 20 30 FHEDHN COc1ccc([C@@H](C/N=C/c2cccc(OC)c2O)N2CCCC2)cc1 ZINC000022768432 934362786 /nfs/dbraw/zinc/36/27/86/934362786.db2.gz BKUNBEOFGRTATG-VZMFNRANSA-N 0 3 354.450 3.665 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)CC1 ZINC000458319808 934687042 /nfs/dbraw/zinc/68/70/42/934687042.db2.gz LFVRTAHRUQGADY-ZNMIVQPWSA-N 0 3 361.452 3.788 20 30 FHEDHN Cc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000084319986 934827221 /nfs/dbraw/zinc/82/72/21/934827221.db2.gz AIOMPDZYFXSAOH-UHFFFAOYSA-N 0 3 362.477 3.995 20 30 FHEDHN N#Cc1ccc(C(=O)N(CCN2CCCC2)c2ccccc2)cc1Cl ZINC000548632250 935068266 /nfs/dbraw/zinc/06/82/66/935068266.db2.gz ARMLUVIZOKHCSN-UHFFFAOYSA-N 0 3 353.853 3.954 20 30 FHEDHN CCCN(CCN1CCCCC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000582258132 935454901 /nfs/dbraw/zinc/45/49/01/935454901.db2.gz CTIDYSQKRQNPLW-UHFFFAOYSA-N 0 3 359.489 3.699 20 30 FHEDHN C[C@H](c1ccncc1)N1CCC(N=Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000158272179 935477998 /nfs/dbraw/zinc/47/79/98/935477998.db2.gz BAPQWQZFPLHLSD-DTVDJLOLSA-N 0 3 360.461 3.980 20 30 FHEDHN CCOc1cccc(C=Nc2ccc(N3CCN(CC)CC3)cc2C)c1O ZINC000255502609 935607485 /nfs/dbraw/zinc/60/74/85/935607485.db2.gz JKPQHRSLUFDOML-UHFFFAOYSA-N 0 3 367.493 3.992 20 30 FHEDHN CC(C)Cc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051654238 935650535 /nfs/dbraw/zinc/65/05/35/935650535.db2.gz GLPSTAPDFPHVDC-IBGZPJMESA-N 0 3 368.477 3.616 20 30 FHEDHN CC[C@H](C)N[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000509566045 945118822 /nfs/dbraw/zinc/11/88/22/945118822.db2.gz COLDVFWYLMKFHX-YJBOKZPZSA-N 0 3 366.465 3.569 20 30 FHEDHN CC[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC000472237713 935916380 /nfs/dbraw/zinc/91/63/80/935916380.db2.gz GRQOPZZTWYHDDR-RBBKRZOGSA-N 0 3 361.489 3.690 20 30 FHEDHN C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000077840410 936058125 /nfs/dbraw/zinc/05/81/25/936058125.db2.gz BXJUFYQBZDLRQZ-DYESRHJHSA-N 0 3 362.477 3.583 20 30 FHEDHN N#CC(C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccn1 ZINC000102122896 936083288 /nfs/dbraw/zinc/08/32/88/936083288.db2.gz VEXXVLZFSHBFOW-LBPRGKRZSA-N 0 3 362.216 3.669 20 30 FHEDHN CC[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000472261028 936133165 /nfs/dbraw/zinc/13/31/65/936133165.db2.gz PXHNXIVPXAFMKM-IFMALSPDSA-N 0 3 361.489 3.690 20 30 FHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1ccccc1 ZINC000078557733 936201220 /nfs/dbraw/zinc/20/12/20/936201220.db2.gz RZQNHARPTAMTDT-UHFFFAOYSA-N 0 3 356.539 3.827 20 30 FHEDHN N#CC(C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CCCCO1 ZINC000121971940 936223363 /nfs/dbraw/zinc/22/33/63/936223363.db2.gz IZHOUIHHCLGOBW-QFBILLFUSA-N 0 3 364.401 3.695 20 30 FHEDHN N#Cc1cnn2cc(CN[C@H](c3ccc(Cl)cc3)C3CCC3)cnc12 ZINC000583515888 938288635 /nfs/dbraw/zinc/28/86/35/938288635.db2.gz BCFLZPQMTONVJO-SFHVURJKSA-N 0 3 351.841 3.885 20 30 FHEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000278383830 938368482 /nfs/dbraw/zinc/36/84/82/938368482.db2.gz DFJGQSMXQSMJNY-ZMSDIMECSA-N 0 3 361.511 3.567 20 30 FHEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247968597 938522976 /nfs/dbraw/zinc/52/29/76/938522976.db2.gz FFKTUKILQAMROG-FGZHOGPDSA-N 0 3 374.488 3.701 20 30 FHEDHN COC(=O)CCCN(Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000536183768 938527462 /nfs/dbraw/zinc/52/74/62/938527462.db2.gz JSBUUFIUYDCQSQ-UHFFFAOYSA-N 0 3 352.434 3.522 20 30 FHEDHN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC[C@H](C2CC2)C1 ZINC000329643555 938570717 /nfs/dbraw/zinc/57/07/17/938570717.db2.gz IYBLIVNGEYOKJC-WBVHZDCISA-N 0 3 355.482 3.912 20 30 FHEDHN CN(C)CCN(C)C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000611825815 938703451 /nfs/dbraw/zinc/70/34/51/938703451.db2.gz ANSZGKFJKDBERO-UHFFFAOYSA-N 0 3 374.300 3.610 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)CC1 ZINC000157867617 938977058 /nfs/dbraw/zinc/97/70/58/938977058.db2.gz KPIFMJKTEDVKSD-UHFFFAOYSA-N 0 3 366.509 3.766 20 30 FHEDHN CN1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccccc1 ZINC000179476489 939171224 /nfs/dbraw/zinc/17/12/24/939171224.db2.gz MVBNXSPZBAHFTQ-YADHBBJMSA-N 0 3 374.488 3.678 20 30 FHEDHN N#CC(C(=O)C[C@@H]1CCC2(CCC2)CO1)C(=O)Nc1ccc(Cl)cc1 ZINC000892493157 940044833 /nfs/dbraw/zinc/04/48/33/940044833.db2.gz CGNCUWRERUFEJP-HOTGVXAUSA-N 0 3 360.841 3.727 20 30 FHEDHN Cc1nc(C2CCC2)sc1CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000892494155 940053162 /nfs/dbraw/zinc/05/31/62/940053162.db2.gz ASDOJNUIFMVZSB-MRXNPFEDSA-N 0 3 367.474 3.918 20 30 FHEDHN CCCCc1nc(C)c(CC(=O)C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000892496116 940062918 /nfs/dbraw/zinc/06/29/18/940062918.db2.gz WFWJBIBVPZSOMA-INIZCTEOSA-N 0 3 369.490 3.993 20 30 FHEDHN CCc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)sc1C ZINC000065930090 940078352 /nfs/dbraw/zinc/07/83/52/940078352.db2.gz YBYNNIJOHVWVLE-UHFFFAOYSA-N 0 3 355.507 3.695 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccccc1Cl ZINC000065930036 940078685 /nfs/dbraw/zinc/07/86/85/940078685.db2.gz OPEOTQUOKCSYKC-UHFFFAOYSA-N 0 3 369.896 3.735 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCCC3)[C@H]2c2ccco2)CC1 ZINC000660597933 945299981 /nfs/dbraw/zinc/29/99/81/945299981.db2.gz SURJIOJQIDJPNZ-LJQANCHMSA-N 0 3 357.498 3.947 20 30 FHEDHN C=CCc1ccc(OC[C@@H](O)CNCc2cc3ccccc3o2)c(OC)c1 ZINC000548949833 940191387 /nfs/dbraw/zinc/19/13/87/940191387.db2.gz DMBGPTCVXGALSJ-SFHVURJKSA-N 0 3 367.445 3.699 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CCc3ccc(C(C)(C)C)cc3C2)CC1 ZINC000511409955 940395694 /nfs/dbraw/zinc/39/56/94/940395694.db2.gz LXEBKSZHKMKDJH-UHFFFAOYSA-N 0 3 355.526 3.702 20 30 FHEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000579958096 940424610 /nfs/dbraw/zinc/42/46/10/940424610.db2.gz QUWFYIAXTWPYFN-IEBWSBKVSA-N 0 3 370.840 3.655 20 30 FHEDHN C(#CCN1CCC[C@H](c2ccccn2)C1)CN1CCC[C@@H](c2ccccn2)C1 ZINC000660625907 945323546 /nfs/dbraw/zinc/32/35/46/945323546.db2.gz LKVJGKXUHGYNCQ-SZPZYZBQSA-N 0 3 374.532 3.539 20 30 FHEDHN N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1c1cccc2ccccc21 ZINC000066468798 940498105 /nfs/dbraw/zinc/49/81/05/940498105.db2.gz OMZKLZRUQBGAID-NRFANRHFSA-N 0 3 360.461 3.633 20 30 FHEDHN C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H](CCC#N)c1ccccc1 ZINC000414096240 940498714 /nfs/dbraw/zinc/49/87/14/940498714.db2.gz ICHVEPSJJBWZCW-YOEHRIQHSA-N 0 3 374.282 3.634 20 30 FHEDHN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CCCN3C3CCCC3)cn2)C[C@H](C)O1 ZINC000330099718 945356312 /nfs/dbraw/zinc/35/63/12/945356312.db2.gz ZYYJNVAMPUEINT-FCEWJHQRSA-N 0 3 372.513 3.690 20 30 FHEDHN CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCCC2 ZINC000330120760 945364399 /nfs/dbraw/zinc/36/43/99/945364399.db2.gz BFPOZFQWDQNCRQ-DZGCQCFKSA-N 0 3 351.516 3.793 20 30 FHEDHN N#Cc1ccc(CN2CCC(Nc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000540972573 941010223 /nfs/dbraw/zinc/01/02/23/941010223.db2.gz DJTLQNVPOUZSKI-UHFFFAOYSA-N 0 3 374.488 3.762 20 30 FHEDHN C=CCN(CC1CCCCC1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659035192 941039680 /nfs/dbraw/zinc/03/96/80/941039680.db2.gz UWDZZPNLCNSISV-HXUWFJFHSA-N 0 3 357.498 3.948 20 30 FHEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000181012372 941103443 /nfs/dbraw/zinc/10/34/43/941103443.db2.gz QBMJGTJWFIZLIX-LLVKDONJSA-N 0 3 366.726 3.647 20 30 FHEDHN C=CCN(C(=O)c1ccnc2ccncc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000376914256 941462912 /nfs/dbraw/zinc/46/29/12/941462912.db2.gz KIMUPFWDYZSHTD-IBGZPJMESA-N 0 3 372.472 3.533 20 30 FHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415067547 941582849 /nfs/dbraw/zinc/58/28/49/941582849.db2.gz USUIDBQLCKFZDM-HZPDHXFCSA-N 0 3 364.449 3.873 20 30 FHEDHN C=CCCc1ccccc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000614478596 941783965 /nfs/dbraw/zinc/78/39/65/941783965.db2.gz BMKICDNKLCJKDS-HUUCEWRRSA-N 0 3 357.372 3.728 20 30 FHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(C#N)ccc1Cl ZINC000513286234 941829105 /nfs/dbraw/zinc/82/91/05/941829105.db2.gz JOFKFTLZFJQOMX-MRXNPFEDSA-N 0 3 367.880 3.948 20 30 FHEDHN Cc1cc2ncn(CN3CCCN(c4ccccc4C#N)CC3)c2cc1C ZINC000728710146 941936793 /nfs/dbraw/zinc/93/67/93/941936793.db2.gz QURBVUUROKJPRP-UHFFFAOYSA-N 0 3 359.477 3.695 20 30 FHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(N3CCCCC3)nc2)cc1 ZINC000728711490 941953237 /nfs/dbraw/zinc/95/32/37/941953237.db2.gz FUYMVQGPRFQDDP-KRWDZBQOSA-N 0 3 350.466 3.653 20 30 FHEDHN C=C(C)Cn1c(CC2CCCC2)nnc1N1CCN(C2CCCC2)CC1 ZINC000549327184 941961939 /nfs/dbraw/zinc/96/19/39/941961939.db2.gz YOTQUNFBAAMIQD-UHFFFAOYSA-N 0 3 357.546 3.652 20 30 FHEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1 ZINC000513543802 942004693 /nfs/dbraw/zinc/00/46/93/942004693.db2.gz ZOCSBOBOEJTSPX-GDBMZVCRSA-N 0 3 371.485 3.959 20 30 FHEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1 ZINC000513543803 942004935 /nfs/dbraw/zinc/00/49/35/942004935.db2.gz ZOCSBOBOEJTSPX-GOEBONIOSA-N 0 3 371.485 3.959 20 30 FHEDHN N#Cc1ccc(N2CCC(NCc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000513668529 942064688 /nfs/dbraw/zinc/06/46/88/942064688.db2.gz ZWQKXFNUCPIRID-UHFFFAOYSA-N 0 3 357.461 3.503 20 30 FHEDHN N#CC1(COC(=O)c2cncc3[nH]ccc32)CCN(Cc2ccccc2)CC1 ZINC000893115689 942065929 /nfs/dbraw/zinc/06/59/29/942065929.db2.gz PGPSLTADNNBPPJ-UHFFFAOYSA-N 0 3 374.444 3.526 20 30 FHEDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000183137852 942167821 /nfs/dbraw/zinc/16/78/21/942167821.db2.gz WHPCVVJHRRHDSD-HOTGVXAUSA-N 0 3 373.460 3.730 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC(F)F)c2ccccc2)CC1 ZINC000420795547 942202239 /nfs/dbraw/zinc/20/22/39/942202239.db2.gz SSQQSFXSZXMKBM-KRWDZBQOSA-N 0 3 351.441 3.723 20 30 FHEDHN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC000128391422 942213349 /nfs/dbraw/zinc/21/33/49/942213349.db2.gz JMGYRTVXOCCDBY-INIZCTEOSA-N 0 3 364.470 3.836 20 30 FHEDHN CC(C)(C)c1ccncc1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000414501227 942365367 /nfs/dbraw/zinc/36/53/67/942365367.db2.gz RQMQHWLMCVJYHI-UHFFFAOYSA-N 0 3 374.492 3.841 20 30 FHEDHN C=CCC1(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CCOCC1 ZINC000424852699 942405151 /nfs/dbraw/zinc/40/51/51/942405151.db2.gz OSBLOGSPNXQUEG-GOSISDBHSA-N 0 3 362.539 3.500 20 30 FHEDHN CCn1nccc1C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000378265337 942489296 /nfs/dbraw/zinc/48/92/96/942489296.db2.gz NHBGYXPAXSMLFZ-UHFFFAOYSA-N 0 3 352.482 3.965 20 30 FHEDHN N#CC(C(=O)c1cccc2c1OCCCO2)c1cc(C(F)(F)F)ccn1 ZINC000651360717 942641864 /nfs/dbraw/zinc/64/18/64/942641864.db2.gz QRBMUJCNDMIUPM-ZDUSSCGKSA-N 0 3 362.307 3.752 20 30 FHEDHN C=CCCO[C@@H](C)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000501764225 942665810 /nfs/dbraw/zinc/66/58/10/942665810.db2.gz TXMLGPGXMJPNQE-PXNSSMCTSA-N 0 3 358.526 3.557 20 30 FHEDHN N#Cc1ccccc1NC(=O)CCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378392704 942710707 /nfs/dbraw/zinc/71/07/07/942710707.db2.gz FPFGMSTYJOLJMG-UHFFFAOYSA-N 0 3 366.852 3.725 20 30 FHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccoc1)c1nc2ccccc2n1C(F)F ZINC000434620031 942805982 /nfs/dbraw/zinc/80/59/82/942805982.db2.gz HQAQBNOTDIPTMD-NSHDSACASA-N 0 3 367.315 3.905 20 30 FHEDHN Cn1cc(CNCc2ccc(-c3cc[nH]n3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000378480297 942809948 /nfs/dbraw/zinc/80/99/48/942809948.db2.gz FJJOTGHHLRISFV-UHFFFAOYSA-N 0 3 368.444 3.639 20 30 FHEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466927077 942863353 /nfs/dbraw/zinc/86/33/53/942863353.db2.gz OJVFPLKSXXHBPJ-SJORKVTESA-N 0 3 369.534 3.916 20 30 FHEDHN C[C@@]1(CCc2ccccc2)CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000434902160 943038833 /nfs/dbraw/zinc/03/88/33/943038833.db2.gz AXYLUFCCVVRVOZ-HSZRJFAPSA-N 0 3 361.489 3.519 20 30 FHEDHN C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000505596234 943133425 /nfs/dbraw/zinc/13/34/25/943133425.db2.gz KZUCBGMQDXTSET-QRWLVFNGSA-N 0 3 367.468 3.783 20 30 FHEDHN Cn1cccc(C(=O)C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1=O ZINC000503501191 943221522 /nfs/dbraw/zinc/22/15/22/943221522.db2.gz LDLWVTMTRVOXPS-CQSZACIVSA-N 0 3 369.833 3.652 20 30 FHEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCC[C@H]1OC(F)F ZINC000503517232 943229928 /nfs/dbraw/zinc/22/99/28/943229928.db2.gz PSYHERSKMQUCAT-TZMCWYRMSA-N 0 3 356.438 3.653 20 30 FHEDHN CSc1ccc([C@@H](C)N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000503557471 943259016 /nfs/dbraw/zinc/25/90/16/943259016.db2.gz JYTSSUXQEGHPLE-AUUYWEPGSA-N 0 3 351.475 3.736 20 30 FHEDHN C=CCCCC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435300959 943320708 /nfs/dbraw/zinc/32/07/08/943320708.db2.gz WYFRFYKGPPEZOY-LJQANCHMSA-N 0 3 352.482 3.933 20 30 FHEDHN COC(=O)[C@H](C)Oc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425366050 943376031 /nfs/dbraw/zinc/37/60/31/943376031.db2.gz OHHFDLNGKZAGCA-HOTGVXAUSA-N 0 3 352.434 3.692 20 30 FHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc4ccccc4c3)C2=O)cc1 ZINC000503921520 943409292 /nfs/dbraw/zinc/40/92/92/943409292.db2.gz QZMXRUZDAGXBHH-JOCHJYFZSA-N 0 3 355.441 3.997 20 30 FHEDHN C=C(C)[C@H](NCCc1c(C)nc2ccccn2c1=O)c1ccc(F)c(F)c1 ZINC000514971572 943424413 /nfs/dbraw/zinc/42/44/13/943424413.db2.gz AGFNOGDVKBRQSJ-FQEVSTJZSA-N 0 3 369.415 3.731 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000435675447 943555184 /nfs/dbraw/zinc/55/51/84/943555184.db2.gz VWQIQDKGIWRILQ-FSSWDIPSSA-N 0 3 364.489 3.615 20 30 FHEDHN N#CCCC[C@H](N)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000424082986 943721061 /nfs/dbraw/zinc/72/10/61/943721061.db2.gz MMTIJKXXRHIEOT-LBPRGKRZSA-N 0 3 368.384 3.789 20 30 FHEDHN CCOc1ccc(Oc2ccccc2NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424085606 943723181 /nfs/dbraw/zinc/72/31/81/943723181.db2.gz ZGSKUHNLMZMEGE-KRWDZBQOSA-N 0 3 353.422 3.837 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000424111051 943736472 /nfs/dbraw/zinc/73/64/72/943736472.db2.gz FLJGSSRNKJIGAK-OAHLLOKOSA-N 0 3 372.469 3.710 20 30 FHEDHN CC(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424110973 943736950 /nfs/dbraw/zinc/73/69/50/943736950.db2.gz DZIDCVHNEWFSAM-HOTGVXAUSA-N 0 3 355.404 3.930 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000424113225 943737862 /nfs/dbraw/zinc/73/78/62/943737862.db2.gz MNJPUPHLXSBBSN-RBUKOAKNSA-N 0 3 361.917 3.969 20 30 FHEDHN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@H](N)CCCC#N ZINC000424121638 943742759 /nfs/dbraw/zinc/74/27/59/943742759.db2.gz ILXDGTZJQFVXAG-CVEARBPZSA-N 0 3 351.878 3.573 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000424126517 943745071 /nfs/dbraw/zinc/74/50/71/943745071.db2.gz PEBRGWJXAUCHMW-QZTJIDSGSA-N 0 3 359.832 3.706 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000162448851 943769705 /nfs/dbraw/zinc/76/97/05/943769705.db2.gz KWDNBKVCTWMPDH-WBVHZDCISA-N 0 3 372.465 3.861 20 30 FHEDHN C=CCCc1ccccc1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000505001160 943953941 /nfs/dbraw/zinc/95/39/41/943953941.db2.gz PDRRTPZDYQORPY-UHFFFAOYSA-N 0 3 352.482 3.796 20 30 FHEDHN C[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)N(C)Cc1ccccc1 ZINC000511640771 943960275 /nfs/dbraw/zinc/96/02/75/943960275.db2.gz OTPBSINZMWIDEC-MRXNPFEDSA-N 0 3 367.468 3.612 20 30 FHEDHN COc1ncccc1NC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000505750862 943980815 /nfs/dbraw/zinc/98/08/15/943980815.db2.gz NEICZMQIUFCQOY-CQSZACIVSA-N 0 3 364.430 3.768 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000437714828 944060722 /nfs/dbraw/zinc/06/07/22/944060722.db2.gz IZULXFMULSNWLD-WMLDXEAASA-N 0 3 368.308 3.799 20 30 FHEDHN CN(C)C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000500102690 944099329 /nfs/dbraw/zinc/09/93/29/944099329.db2.gz OTLGJEWWBFKLQZ-WOJBJXKFSA-N 0 3 368.456 3.773 20 30 FHEDHN Cc1c(CN[C@@H]2CCCc3cc(C#N)ccc32)c(=O)n(-c2ccccc2)n1C ZINC000418144139 944196816 /nfs/dbraw/zinc/19/68/16/944196816.db2.gz JRGZODBZKPEEMN-JOCHJYFZSA-N 0 3 372.472 3.523 20 30 FHEDHN COc1ccc(CN[C@@H]2C[C@@H](CO)c3ccccc32)cc1OCCCC#N ZINC000364272829 944196825 /nfs/dbraw/zinc/19/68/25/944196825.db2.gz SDHSXOAAULBNES-FXAWDEMLSA-N 0 3 366.461 3.688 20 30 FHEDHN COC(=O)[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)C[C@H]1c1ccc(F)cc1F ZINC000425515529 944196929 /nfs/dbraw/zinc/19/69/29/944196929.db2.gz XIVREPJJOHVLOB-FASAQXTFSA-N 0 3 370.399 3.786 20 30 FHEDHN Cc1nn(-c2ccccn2)c(C)c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418152183 944205746 /nfs/dbraw/zinc/20/57/46/944205746.db2.gz YEYCUBFQMZUIIU-NRFANRHFSA-N 0 3 357.461 3.923 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cc2Br)CC1 ZINC000517324508 944206781 /nfs/dbraw/zinc/20/67/81/944206781.db2.gz WLUYMAVJOSXBNR-UHFFFAOYSA-N 0 3 366.303 3.920 20 30 FHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000418150108 944211845 /nfs/dbraw/zinc/21/18/45/944211845.db2.gz VZMQKTGWSXIGAU-LJQANCHMSA-N 0 3 372.428 3.844 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000517323872 944211956 /nfs/dbraw/zinc/21/19/56/944211956.db2.gz GGNRJQVYWCVLOI-UHFFFAOYSA-N 0 3 354.498 3.624 20 30 FHEDHN C=CCOc1cccc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000506479256 944311181 /nfs/dbraw/zinc/31/11/81/944311181.db2.gz DKABXBQDHQNDGL-UHFFFAOYSA-N 0 3 368.452 3.785 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000517543381 944373090 /nfs/dbraw/zinc/37/30/90/944373090.db2.gz AFJVCCRYVBMITJ-LAUBAEHRSA-N 0 3 362.477 3.535 20 30 FHEDHN Cc1ccnc2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc12 ZINC000506202048 944470535 /nfs/dbraw/zinc/47/05/35/944470535.db2.gz HBAXKVMKRATLOK-UHFFFAOYSA-N 0 3 372.472 3.619 20 30 FHEDHN C=CCCO[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001125937463 944473574 /nfs/dbraw/zinc/47/35/74/944473574.db2.gz SROUQGYOMNTYRY-HNNXBMFYSA-N 0 3 372.431 3.577 20 30 FHEDHN COC[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000516200537 944572153 /nfs/dbraw/zinc/57/21/53/944572153.db2.gz QDDRJRFRFIQAFG-NRFANRHFSA-N 0 3 371.431 3.783 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCOCc2ccccc2)cc1 ZINC000140321714 944739237 /nfs/dbraw/zinc/73/92/37/944739237.db2.gz SDUDNKZFHMLOAW-FQEVSTJZSA-N 0 3 364.445 3.893 20 30 FHEDHN COc1cc(CN(C)CCOc2ccc(C#N)cc2)ccc1OC(F)F ZINC000015296841 944740030 /nfs/dbraw/zinc/74/00/30/944740030.db2.gz XAXQDEYNBRVMPL-UHFFFAOYSA-N 0 3 362.376 3.679 20 30 FHEDHN C=CCOc1ccccc1CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000518966771 944984594 /nfs/dbraw/zinc/98/45/94/944984594.db2.gz PKLIQVAMODKWHZ-GOSISDBHSA-N 0 3 367.493 3.571 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@]2(c3cccc(C)c3)C[C@@H]2CC)CC1 ZINC000507185193 945015508 /nfs/dbraw/zinc/01/55/08/945015508.db2.gz YSFJVFRLEIYOEC-PGRDOPGGSA-N 0 3 355.526 3.960 20 30 FHEDHN C[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000330136479 945371653 /nfs/dbraw/zinc/37/16/53/945371653.db2.gz UDYKUPDGAIDAOY-ZNLUXHQJSA-N 0 3 372.509 3.681 20 30 FHEDHN C[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000330136477 945371843 /nfs/dbraw/zinc/37/18/43/945371843.db2.gz UDYKUPDGAIDAOY-NQSCKRDGSA-N 0 3 372.509 3.681 20 30 FHEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000661116507 945748522 /nfs/dbraw/zinc/74/85/22/945748522.db2.gz YQMOAXHIAKJZJR-QAPCUYQASA-N 0 3 363.465 3.746 20 30 FHEDHN Cn1cc(CN2CC[C@]3(C2)OCc2ccccc23)c(-c2ccc(C#N)cc2)n1 ZINC000186437680 945913110 /nfs/dbraw/zinc/91/31/10/945913110.db2.gz DDGGEFRABLMFHN-HSZRJFAPSA-N 0 3 370.456 3.590 20 30 FHEDHN CC(C)N(CCCC1(C#N)CCOCC1)CC(=O)Nc1ccc(F)cc1 ZINC000281888884 945914653 /nfs/dbraw/zinc/91/46/53/945914653.db2.gz DSMVVDJZYVUOSA-UHFFFAOYSA-N 0 3 361.461 3.575 20 30 FHEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(F)c1 ZINC000045697460 946124047 /nfs/dbraw/zinc/12/40/47/946124047.db2.gz RHRZKMXDQKJQOY-UHFFFAOYSA-N 0 3 357.454 3.708 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCC[C@H](SC)C1 ZINC000441112632 946222174 /nfs/dbraw/zinc/22/21/74/946222174.db2.gz LMNDJFZKVFCJGJ-CVEARBPZSA-N 0 3 352.569 3.869 20 30 FHEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000441241450 946331044 /nfs/dbraw/zinc/33/10/44/946331044.db2.gz DFJGQSMXQSMJNY-ZOBUZTSGSA-N 0 3 361.511 3.567 20 30 FHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCOc2ccccc2F)c1 ZINC000125517000 946413390 /nfs/dbraw/zinc/41/33/90/946413390.db2.gz XLCYUFFRHIMNDW-INIZCTEOSA-N 0 3 354.381 3.641 20 30 FHEDHN CN(C)CCN(C(=O)CCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000520327503 946418639 /nfs/dbraw/zinc/41/86/39/946418639.db2.gz HIQBOVLUOSDBNT-UHFFFAOYSA-N 0 3 365.477 3.702 20 30 FHEDHN C=CCN(CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)C(C)(C)C ZINC000661756305 946583423 /nfs/dbraw/zinc/58/34/23/946583423.db2.gz JJWGJJLZTFVDOZ-SFHVURJKSA-N 0 3 360.498 3.654 20 30 FHEDHN C=C[C@](C)(CC)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000188444911 946763270 /nfs/dbraw/zinc/76/32/70/946763270.db2.gz UUBUDQSQCLMRKC-HXUWFJFHSA-N 0 3 364.917 3.902 20 30 FHEDHN CCc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000049799188 946845442 /nfs/dbraw/zinc/84/54/42/946845442.db2.gz LOGPUDQJBDQINC-OAQYLSRUSA-N 0 3 364.493 3.565 20 30 FHEDHN CCc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000049799189 946846046 /nfs/dbraw/zinc/84/60/46/946846046.db2.gz LOGPUDQJBDQINC-NRFANRHFSA-N 0 3 364.493 3.565 20 30 FHEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475312176 946867645 /nfs/dbraw/zinc/86/76/45/946867645.db2.gz KMQGJYSUDNWEHJ-HXUWFJFHSA-N 0 3 367.468 3.803 20 30 FHEDHN C=CCN(Cc1ccc2ccccc2n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000523021281 946976374 /nfs/dbraw/zinc/97/63/74/946976374.db2.gz ZSEIKJFJHSGWDS-KRWDZBQOSA-N 0 3 370.460 3.960 20 30 FHEDHN NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3CCCC(=O)N3)c2)CC1 ZINC000328815105 947033641 /nfs/dbraw/zinc/03/36/41/947033641.db2.gz PLIWSRJFTFIDTD-MRXNPFEDSA-N 0 3 358.442 3.531 20 30 FHEDHN O=C(N[C@@H]1CCCC12CCOCC2)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000328833864 947056808 /nfs/dbraw/zinc/05/68/08/947056808.db2.gz RWUVFIYUUIBNKU-WOJBJXKFSA-N 0 3 371.525 3.504 20 30 FHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000444645081 947085789 /nfs/dbraw/zinc/08/57/89/947085789.db2.gz WVFBTAZOKUMSEY-HKUYNNGSSA-N 0 3 371.525 3.874 20 30 FHEDHN N#CC(CCN1CCC(O)(C(F)F)CC1)(c1ccccc1)c1ccccc1 ZINC000444680645 947105872 /nfs/dbraw/zinc/10/58/72/947105872.db2.gz QPEMXYVUKJIJPH-UHFFFAOYSA-N 0 3 370.443 3.978 20 30 FHEDHN N#CCCn1cc(CN2CCC[C@@H](OCC3CC3)C2)c(-c2ccccc2)n1 ZINC000428377081 947196221 /nfs/dbraw/zinc/19/62/21/947196221.db2.gz WWBXZWOZYCCOGV-OAQYLSRUSA-N 0 3 364.493 3.855 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCSc2ccccc2F)c1 ZINC000127135212 947271420 /nfs/dbraw/zinc/27/14/20/947271420.db2.gz IBCXVOCWRRNJDN-HNNXBMFYSA-N 0 3 372.421 3.664 20 30 FHEDHN N#CCCOCCN1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599525915 947368797 /nfs/dbraw/zinc/36/87/97/947368797.db2.gz BKYGMEGAPRWTOP-OAHLLOKOSA-N 0 3 355.301 3.546 20 30 FHEDHN CC[C@@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)cc1 ZINC000181835609 947376991 /nfs/dbraw/zinc/37/69/91/947376991.db2.gz VXBABMSBNDWWRM-FZKQIMNGSA-N 0 3 355.438 3.845 20 30 FHEDHN CC1(C)CCCN(CCNC(=O)c2cccc(C#N)c2Br)C1 ZINC000331314378 947384954 /nfs/dbraw/zinc/38/49/54/947384954.db2.gz IMVJZKWXBYEMKZ-UHFFFAOYSA-N 0 3 364.287 3.747 20 30 FHEDHN C=CC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000523610204 947416171 /nfs/dbraw/zinc/41/61/71/947416171.db2.gz FWUOPIKTAJGDFU-AWEZNQCLSA-N 0 3 365.315 3.694 20 30 FHEDHN N#Cc1ccc(CN2CCCN(c3nccc4ccc(F)cc43)CC2)cc1 ZINC000536225922 948081940 /nfs/dbraw/zinc/08/19/40/948081940.db2.gz NQONXSGAJRQQTA-UHFFFAOYSA-N 0 3 360.436 3.958 20 30 FHEDHN CCN(CC)C(=O)c1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000236815325 948231338 /nfs/dbraw/zinc/23/13/38/948231338.db2.gz JPEMUQCBXQIZPH-KRWDZBQOSA-N 0 3 365.477 3.749 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000520695808 948598933 /nfs/dbraw/zinc/59/89/33/948598933.db2.gz FMTNXXUMUFYBGZ-UHFFFAOYSA-N 0 3 359.489 3.935 20 30 FHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000429806446 948710349 /nfs/dbraw/zinc/71/03/49/948710349.db2.gz LUDOKMQVYJZNFC-AWEZNQCLSA-N 0 3 355.507 3.932 20 30 FHEDHN CN1CC[C@@H](CN[C@@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328655850 523961798 /nfs/dbraw/zinc/96/17/98/523961798.db2.gz YVFWMOKKZDMMEX-TYPHKJRUSA-N 0 3 364.493 3.524 20 30 FHEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602586124 567994418 /nfs/dbraw/zinc/99/44/18/567994418.db2.gz ZMEMTQVRPGKJEB-JKSUJKDBSA-N 0 3 371.378 3.919 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccnc(OCc2ccccc2)c1 ZINC000602590003 567994831 /nfs/dbraw/zinc/99/48/31/567994831.db2.gz BDXTUTOZYQDWAJ-GOSISDBHSA-N 0 3 365.477 3.849 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccnc(N2CCCCCC2)c1 ZINC000602564065 567995411 /nfs/dbraw/zinc/99/54/11/567995411.db2.gz KRXDOOIUCUETEZ-SFHVURJKSA-N 0 3 356.514 3.651 20 30 FHEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(OC[C@H]2CCCO2)c1 ZINC000602567549 567995788 /nfs/dbraw/zinc/99/57/88/567995788.db2.gz FPFCXYVODGEDJO-AZUAARDMSA-N 0 3 372.509 3.741 20 30 FHEDHN C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@@H](N)CCCC#N ZINC000602605424 567997022 /nfs/dbraw/zinc/99/70/22/567997022.db2.gz VHBXKUOSXPAUDT-DOTOQJQBSA-N 0 3 353.388 3.564 20 30 FHEDHN C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000602605514 567997073 /nfs/dbraw/zinc/99/70/73/567997073.db2.gz WCBGOESZTJLZMO-WMZOPIPTSA-N 0 3 367.415 3.954 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1c(Cl)cccc1-n1ccnc1 ZINC000602674210 568008649 /nfs/dbraw/zinc/00/86/49/568008649.db2.gz VUYSCEQODIRENL-OAHLLOKOSA-N 0 3 358.873 3.714 20 30 FHEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000602917340 568012532 /nfs/dbraw/zinc/01/25/32/568012532.db2.gz DPQFPBLKSOBFHJ-RTWAWAEBSA-N 0 3 352.478 3.523 20 30 FHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1c(F)cccc1C#N ZINC000568305889 568013155 /nfs/dbraw/zinc/01/31/55/568013155.db2.gz FACXKPWCFPCKOA-NRFANRHFSA-N 0 3 367.468 3.513 20 30 FHEDHN CN1CCC(Oc2ccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)cc2)CC1 ZINC000291206550 568078364 /nfs/dbraw/zinc/07/83/64/568078364.db2.gz UXVPVOGBDCLHTL-UHFFFAOYSA-N 0 3 366.421 3.552 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccccc1N1CCOCC1 ZINC000481667608 568081073 /nfs/dbraw/zinc/08/10/73/568081073.db2.gz KBHLSUQLLMVNQS-QFIPXVFZSA-N 0 3 361.489 3.952 20 30 FHEDHN COC(=O)COc1cccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481678703 568085443 /nfs/dbraw/zinc/08/54/43/568085443.db2.gz RAIYQTMWSMHYMS-OAQYLSRUSA-N 0 3 364.445 3.667 20 30 FHEDHN Cc1cc(N2CCN(Cc3ccc(C#N)cc3)CC2)c2cc(F)ccc2n1 ZINC000481701817 568092346 /nfs/dbraw/zinc/09/23/46/568092346.db2.gz MGWKZEWPWYGGLQ-UHFFFAOYSA-N 0 3 360.436 3.876 20 30 FHEDHN N#Cc1ccsc1NC(=O)CCN1CCC(Cc2ccccc2)CC1 ZINC000007788114 568255942 /nfs/dbraw/zinc/25/59/42/568255942.db2.gz JROPVUCNJVFKMJ-UHFFFAOYSA-N 0 3 353.491 3.903 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)CC1 ZINC000303301778 568265532 /nfs/dbraw/zinc/26/55/32/568265532.db2.gz QDEVESYXXRYDOW-KRWDZBQOSA-N 0 3 358.526 3.908 20 30 FHEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000482140117 568288023 /nfs/dbraw/zinc/28/80/23/568288023.db2.gz QQNNKMGHQOQDKB-XOKHGSTOSA-N 0 3 361.486 3.669 20 30 FHEDHN C=CCOc1cccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000604765091 568361785 /nfs/dbraw/zinc/36/17/85/568361785.db2.gz ADDIWLDCAGJGHW-MOPGFXCFSA-N 0 3 365.395 3.876 20 30 FHEDHN C=CCOc1c(Br)cc(CN[C@H](C)C(C)(C)O)cc1OCC ZINC000604765543 568361834 /nfs/dbraw/zinc/36/18/34/568361834.db2.gz SXZPJDUULZFFFG-GFCCVEGCSA-N 0 3 372.303 3.662 20 30 FHEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2)CC1 ZINC000570048716 568443369 /nfs/dbraw/zinc/44/33/69/568443369.db2.gz KDTVCJRYZVYFRW-UHFFFAOYSA-N 0 3 369.852 3.937 20 30 FHEDHN CCOCC(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000570064137 568456194 /nfs/dbraw/zinc/45/61/94/568456194.db2.gz AZJZKOITACMTFV-UHFFFAOYSA-N 0 3 374.529 3.825 20 30 FHEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccc(Br)cc3)C2)nc1 ZINC000582973268 936336721 /nfs/dbraw/zinc/33/67/21/936336721.db2.gz UARBSXZOFTZVJR-HNNXBMFYSA-N 0 3 356.267 3.780 20 30 FHEDHN COc1ccc(CN2CCCN(c3ccccc3C#N)CC2)c(C)c1OC ZINC000583051476 937079914 /nfs/dbraw/zinc/07/99/14/937079914.db2.gz QRKLGUUQCVAWFM-UHFFFAOYSA-N 0 3 365.477 3.596 20 30 FHEDHN C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000186918214 927575607 /nfs/dbraw/zinc/57/56/07/927575607.db2.gz FSRQWIZGOJETRZ-OXJNMPFZSA-N 0 3 365.477 3.523 20 30 FHEDHN Cc1cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(C)c1OC(F)F ZINC000430179417 927582079 /nfs/dbraw/zinc/58/20/79/927582079.db2.gz QMRDUCCJADKDJO-QGZVFWFLSA-N 0 3 373.403 3.825 20 30 FHEDHN N#Cc1ccc(OCC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000120332574 928166179 /nfs/dbraw/zinc/16/61/79/928166179.db2.gz KRQSCMSPDYCBCC-IBGZPJMESA-N 0 3 359.433 3.559 20 30 FHEDHN N#Cc1ccc(OCC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000120332574 928166201 /nfs/dbraw/zinc/16/62/01/928166201.db2.gz KRQSCMSPDYCBCC-IBGZPJMESA-N 0 3 359.433 3.559 20 30 FHEDHN COc1cccc(/C=N\C[C@@H](c2ccccc2OC)N2CCCC2)c1O ZINC000254955229 928498322 /nfs/dbraw/zinc/49/83/22/928498322.db2.gz ALFRYKCINRFVMQ-GFHXCNCHSA-N 0 3 354.450 3.665 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC000683239529 928517904 /nfs/dbraw/zinc/51/79/04/928517904.db2.gz HICPHOTUAVCDAK-UHFFFAOYSA-N 0 3 362.342 3.754 20 30 FHEDHN COc1ccc(O)c(/C=N\C[C@@H](c2ccccc2OC)N2CCCC2)c1 ZINC000255001537 928852794 /nfs/dbraw/zinc/85/27/94/928852794.db2.gz UWBZDHNKMKEKGI-MAGMUUGSSA-N 0 3 354.450 3.665 20 30 FHEDHN CCCOc1ccc2c(c1)CCN(CCC(=O)Nc1ccccc1C#N)C2 ZINC000134512292 928965660 /nfs/dbraw/zinc/96/56/60/928965660.db2.gz AJUNHXPCRYNQMK-UHFFFAOYSA-N 0 3 363.461 3.734 20 30 FHEDHN C[C@H]1CN(Cc2ccc(CNCc3cc(C#N)cs3)cc2)C[C@H](C)O1 ZINC000177683562 930110077 /nfs/dbraw/zinc/11/00/77/930110077.db2.gz WIDKZKGMYVQMIC-HOTGVXAUSA-N 0 3 355.507 3.519 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)/C=C\c1ccccc1C#N)c1ccsc1 ZINC000255170372 930275972 /nfs/dbraw/zinc/27/59/72/930275972.db2.gz BXGJLTHHAYBSPT-VJIACCKLSA-N 0 3 353.491 3.832 20 30 FHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000074917254 930342307 /nfs/dbraw/zinc/34/23/07/930342307.db2.gz HJOSNYCOJUQUMO-INIZCTEOSA-N 0 3 368.456 3.532 20 30 FHEDHN Cc1cc(CCCC(=O)C(C#N)C(=O)NCc2ccccc2)c(C)s1 ZINC000175942102 930532611 /nfs/dbraw/zinc/53/26/11/930532611.db2.gz WTNWEPPZGOBPTQ-SFHVURJKSA-N 0 3 354.475 3.713 20 30 FHEDHN COc1cc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc(OC)c1OC ZINC000581161318 931625414 /nfs/dbraw/zinc/62/54/14/931625414.db2.gz UMRLJUGNTHFIKZ-ACJLOTCBSA-N 0 3 352.434 3.922 20 30 FHEDHN N#Cc1ccc([C@H](N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C(N)=O)cc1 ZINC000581300577 931800915 /nfs/dbraw/zinc/80/09/15/931800915.db2.gz VPDBAZVVHDIBQH-QRQLOZEOSA-N 0 3 353.853 3.664 20 30 FHEDHN CN(Cc1cc(C#N)cs1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000891395183 932051492 /nfs/dbraw/zinc/05/14/92/932051492.db2.gz VNZMXNSLNDEFLO-IBGZPJMESA-N 0 3 368.506 3.598 20 30 FHEDHN COc1cc(N[C@H]2CCCN(Cc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000178059130 932244465 /nfs/dbraw/zinc/24/44/65/932244465.db2.gz QULWCCQCTNIEBZ-SFHVURJKSA-N 0 3 351.450 3.652 20 30 FHEDHN CCCCN(C)C(=O)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000510435162 932288344 /nfs/dbraw/zinc/28/83/44/932288344.db2.gz IZLVETVWMLQSJG-UHFFFAOYSA-N 0 3 371.525 3.840 20 30 FHEDHN COc1ccc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)c(OC)c1 ZINC000078926218 932559391 /nfs/dbraw/zinc/55/93/91/932559391.db2.gz UORCRXLNQRAISZ-INIZCTEOSA-N 0 3 353.466 3.904 20 30 FHEDHN COc1ccc(C(=O)CCC(=O)C(C#N)c2nc3ccccc3o2)cc1F ZINC000176101482 933549952 /nfs/dbraw/zinc/54/99/52/933549952.db2.gz CJCNVTYUNRWSPJ-ZDUSSCGKSA-N 0 3 366.348 3.815 20 30 FHEDHN CN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000471927183 933834793 /nfs/dbraw/zinc/83/47/93/933834793.db2.gz ADJCPGXNMZEEGK-ZWKOTPCHSA-N 0 3 354.841 3.779 20 30 FHEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccsc2)cc1OC ZINC000458194357 934366874 /nfs/dbraw/zinc/36/68/74/934366874.db2.gz AHQMOHJGEYQMNQ-UHFFFAOYSA-N 0 3 374.506 3.526 20 30 FHEDHN C=CCN1CCC(NC(=O)NCC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000458319304 934694768 /nfs/dbraw/zinc/69/47/68/934694768.db2.gz FMSUNPOPHJMBDS-UHFFFAOYSA-N 0 3 361.917 3.612 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)CC1 ZINC000458322559 934708464 /nfs/dbraw/zinc/70/84/64/934708464.db2.gz OKUAMGMRKXXZPK-KESTWPANSA-N 0 3 371.525 3.623 20 30 FHEDHN N#Cc1cc(CNC2(c3cccc(Br)c3)CCOCC2)ccn1 ZINC000610993650 934729293 /nfs/dbraw/zinc/72/92/93/934729293.db2.gz YNDWXHKPWKDYTL-UHFFFAOYSA-N 0 3 372.266 3.511 20 30 FHEDHN COc1ccc(CC[C@H]2CCCCN2Cc2ccnc(C#N)c2)cc1OC ZINC000610992264 934735047 /nfs/dbraw/zinc/73/50/47/934735047.db2.gz OZUXBVAPVVITAA-HXUWFJFHSA-N 0 3 365.477 3.958 20 30 FHEDHN Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000121691801 934779036 /nfs/dbraw/zinc/77/90/36/934779036.db2.gz FVWDWIAMCSTZPL-HNNXBMFYSA-N 0 3 363.348 3.750 20 30 FHEDHN Cc1oc(-c2ccccc2F)nc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000121691801 934779039 /nfs/dbraw/zinc/77/90/39/934779039.db2.gz FVWDWIAMCSTZPL-HNNXBMFYSA-N 0 3 363.348 3.750 20 30 FHEDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCCOc1cccc(C#N)c1 ZINC000156625310 934815099 /nfs/dbraw/zinc/81/50/99/934815099.db2.gz ZXLALBMFPWKGHU-LMKMVOKYSA-N 0 3 356.491 3.758 20 30 FHEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCCOc1cccc(C#N)c1 ZINC000156625449 934815779 /nfs/dbraw/zinc/81/57/79/934815779.db2.gz ZXLALBMFPWKGHU-CPJLOUKISA-N 0 3 356.491 3.758 20 30 FHEDHN CCOc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000084319339 934827178 /nfs/dbraw/zinc/82/71/78/934827178.db2.gz IEEGVXGIVNJIFG-UHFFFAOYSA-N 0 3 372.494 3.614 20 30 FHEDHN C=CCCn1cc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nn1 ZINC000657299873 935019548 /nfs/dbraw/zinc/01/95/48/935019548.db2.gz ACOYQLVBPJAPFD-QWRGUYRKSA-N 0 3 370.341 3.853 20 30 FHEDHN C=CCOc1c(Br)cc(CNC2CC(F)(F)C2)cc1OC ZINC000277379239 935042529 /nfs/dbraw/zinc/04/25/29/935042529.db2.gz CJYFOKONUJZWFB-UHFFFAOYSA-N 0 3 362.214 3.910 20 30 FHEDHN CCN(Cc1ccccc1OCC(=O)N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000119869911 935306779 /nfs/dbraw/zinc/30/67/79/935306779.db2.gz YMBFIFSGWNUVPM-KRWDZBQOSA-N 0 3 365.477 3.608 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1ccsc1 ZINC000119955280 935361442 /nfs/dbraw/zinc/36/14/42/935361442.db2.gz JWGBILSGMPDSCI-MRXNPFEDSA-N 0 3 363.433 3.711 20 30 FHEDHN CC[C@@H]1CN(c2c(C#N)nnc3ccccc32)CCN1Cc1ccccc1 ZINC000582270746 935471653 /nfs/dbraw/zinc/47/16/53/935471653.db2.gz RDHKMUFBBPMGKM-GOSISDBHSA-N 0 3 357.461 3.602 20 30 FHEDHN N#CCc1ccsc1C(=O)N[C@H]1c2ccccc2CC[C@H]1N1CCCC1 ZINC000892260733 935686241 /nfs/dbraw/zinc/68/62/41/935686241.db2.gz CIFONTLYIWYOQQ-MOPGFXCFSA-N 0 3 365.502 3.696 20 30 FHEDHN N#Cc1ccc(Cl)cc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000562043924 935703629 /nfs/dbraw/zinc/70/36/29/935703629.db2.gz KSUCXFNFNUTMFB-IBGZPJMESA-N 0 3 356.853 3.882 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)Nc1ccc(C#N)c(F)c1)c1ccsc1 ZINC000582456348 935734005 /nfs/dbraw/zinc/73/40/05/935734005.db2.gz NHBSFDNJMZSJHX-QGZVFWFLSA-N 0 3 360.458 3.963 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000582472818 935758551 /nfs/dbraw/zinc/75/85/51/935758551.db2.gz CROKGJJEIILVIJ-YPVJZLTNSA-N 0 3 359.473 3.613 20 30 FHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COc2cccc(C(C)C)c2)c1 ZINC000127751055 935769066 /nfs/dbraw/zinc/76/90/66/935769066.db2.gz VZBKQSVURXFICT-LJQANCHMSA-N 0 3 350.418 3.845 20 30 FHEDHN Cc1ccc(C(C)C)c(OCC(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000127868348 935828260 /nfs/dbraw/zinc/82/82/60/935828260.db2.gz HSPUMIJIBZKQGJ-SFHVURJKSA-N 0 3 350.418 3.845 20 30 FHEDHN N#Cc1ccccc1Cn1cccc1CNCc1ccccc1-n1cccn1 ZINC000187754334 935845504 /nfs/dbraw/zinc/84/55/04/935845504.db2.gz VBQDKOIHPBVVND-UHFFFAOYSA-N 0 3 367.456 3.884 20 30 FHEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(Br)c1O ZINC000078878063 936301172 /nfs/dbraw/zinc/30/11/72/936301172.db2.gz RELPBHORAXPBIG-NSHDSACASA-N 0 3 361.239 3.886 20 30 FHEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000329275936 938312190 /nfs/dbraw/zinc/31/21/90/938312190.db2.gz BVSKDZLZKKTXJS-OXQOHEQNSA-N 0 3 352.482 3.846 20 30 FHEDHN Cc1[nH]c2ccccc2c1C1=CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000329301904 938332974 /nfs/dbraw/zinc/33/29/74/938332974.db2.gz NEFSEUCVTSARRK-KRWDZBQOSA-N 0 3 364.493 3.716 20 30 FHEDHN C=C(C)COc1cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1OC ZINC000246084764 938337365 /nfs/dbraw/zinc/33/73/65/938337365.db2.gz IENRPZOEVYBCOQ-IEBWSBKVSA-N 0 3 355.482 3.930 20 30 FHEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000248110872 938540127 /nfs/dbraw/zinc/54/01/27/938540127.db2.gz NLJLUBWBQWBTMH-UHFFFAOYSA-N 0 3 365.437 3.660 20 30 FHEDHN N#Cc1cccc(C2(NCCC(=O)N[C@H]3CCCc4ccccc43)CC2)c1 ZINC000584099463 938598263 /nfs/dbraw/zinc/59/82/63/938598263.db2.gz FGHDQFPUMGBIRX-NRFANRHFSA-N 0 3 359.473 3.721 20 30 FHEDHN N#Cc1csc(CNCCNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000084051635 938817928 /nfs/dbraw/zinc/81/79/28/938817928.db2.gz MYBSUIIESJCURA-UHFFFAOYSA-N 0 3 360.792 3.889 20 30 FHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCc2sccc2C1=O ZINC000892419231 939015785 /nfs/dbraw/zinc/01/57/85/939015785.db2.gz AGNRPAKYADICTB-OCCSQVGLSA-N 0 3 363.442 3.646 20 30 FHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472355639 939020088 /nfs/dbraw/zinc/02/00/88/939020088.db2.gz YIZNSMYMRBNWQX-QWFCFKBJSA-N 0 3 353.510 3.671 20 30 FHEDHN COc1ccc([C@H](C/N=C\c2cc(Cl)ccc2O)N(C)C)cc1OC ZINC000255756155 939166458 /nfs/dbraw/zinc/16/64/58/939166458.db2.gz NRBSJTVXQGTGIU-SJJOQSKNSA-N 0 3 362.857 3.785 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000519285614 945288235 /nfs/dbraw/zinc/28/82/35/945288235.db2.gz CSACPQRCEXRYRV-UHFFFAOYSA-N 0 3 353.869 3.661 20 30 FHEDHN C[C@@H]1CO[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000892489114 940022748 /nfs/dbraw/zinc/02/27/48/940022748.db2.gz DTKOAFOMVHUKDX-ZSZQSSIHSA-N 0 3 364.401 3.551 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cc(F)ncc1C ZINC000892494460 940055188 /nfs/dbraw/zinc/05/51/88/940055188.db2.gz FCFMNHGQNKUMSO-INIZCTEOSA-N 0 3 353.397 3.615 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CC[C@@H]1CCc2ccccc21 ZINC000892496323 940062595 /nfs/dbraw/zinc/06/25/95/940062595.db2.gz LHQGQFRXNQXGDD-WMZOPIPTSA-N 0 3 362.429 3.853 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)cc1Cl ZINC000065931312 940078853 /nfs/dbraw/zinc/07/88/53/940078853.db2.gz LTKLUQGMAJMCIQ-UHFFFAOYSA-N 0 3 359.832 3.555 20 30 FHEDHN CC(C)=C[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1(C)C ZINC000065930861 940078919 /nfs/dbraw/zinc/07/89/19/940078919.db2.gz YLHLFQBKAZDHSQ-UXHICEINSA-N 0 3 353.510 3.687 20 30 FHEDHN N#CC(C(=O)C[C@@H]1CCC2(CCC2)O1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892498490 940088042 /nfs/dbraw/zinc/08/80/42/940088042.db2.gz JWVLIYLBLYPMDV-STQMWFEESA-N 0 3 364.804 3.618 20 30 FHEDHN CC(C)[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000065949738 940106756 /nfs/dbraw/zinc/10/67/56/940106756.db2.gz VIJXWURQVLLZGY-OAQYLSRUSA-N 0 3 373.460 3.669 20 30 FHEDHN C[C@@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000548936550 940113707 /nfs/dbraw/zinc/11/37/07/940113707.db2.gz HNQWNROTWKETIC-CQSZACIVSA-N 0 3 362.882 3.726 20 30 FHEDHN CC(C)(C)OC(=O)N[C@@H](CNCc1cc(C#N)cs1)c1ccccc1 ZINC000177706793 940372196 /nfs/dbraw/zinc/37/21/96/940372196.db2.gz GDQNFXZTRRIWTO-KRWDZBQOSA-N 0 3 357.479 3.975 20 30 FHEDHN CN(C(=O)c1ccncc1)c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177703643 940375530 /nfs/dbraw/zinc/37/55/30/940375530.db2.gz BMLNBANZCKVYBH-UHFFFAOYSA-N 0 3 362.458 3.581 20 30 FHEDHN CC[C@@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000581461420 940504423 /nfs/dbraw/zinc/50/44/23/940504423.db2.gz ONDRBAVZGMKVIU-GOSISDBHSA-N 0 3 350.422 3.567 20 30 FHEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000582077415 940646050 /nfs/dbraw/zinc/64/60/50/940646050.db2.gz HSZUHQFHNNIGQO-UHFFFAOYSA-N 0 3 374.410 3.680 20 30 FHEDHN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124912578 945349485 /nfs/dbraw/zinc/34/94/85/945349485.db2.gz LQENPGCDBPRXHQ-CMPLNLGQSA-N 0 3 371.289 3.805 20 30 FHEDHN O=C(NCc1noc(-c2ccccc2F)n1)[C@H]1CCCN1C1CCCC1 ZINC000330093430 945353088 /nfs/dbraw/zinc/35/30/88/945353088.db2.gz RMRSBFIVYJXZTM-MRXNPFEDSA-N 0 3 358.417 3.739 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C/C=C/c1ccccc1F ZINC000175589319 940892506 /nfs/dbraw/zinc/89/25/06/940892506.db2.gz LFMACDHKELBDKA-FNORWQNLSA-N 0 3 365.452 3.691 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000176636964 941065540 /nfs/dbraw/zinc/06/55/40/941065540.db2.gz RFNONTQJDNVZNM-UHFFFAOYSA-N 0 3 372.694 3.874 20 30 FHEDHN C=CCc1cc(CN2CCC[C@@H](Oc3ncccc3F)C2)c(O)c(OC)c1 ZINC000782853567 941119543 /nfs/dbraw/zinc/11/95/43/941119543.db2.gz SNPXDMCNZSMEPK-QGZVFWFLSA-N 0 3 372.440 3.707 20 30 FHEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000181344535 941128597 /nfs/dbraw/zinc/12/85/97/941128597.db2.gz BPTFLNOXJILPKX-NRFANRHFSA-N 0 3 368.502 3.853 20 30 FHEDHN COc1ccccc1NC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000189230683 941154997 /nfs/dbraw/zinc/15/49/97/941154997.db2.gz KNDKUTBPKUEVKS-MRXNPFEDSA-N 0 3 363.461 3.979 20 30 FHEDHN C[C@@H]1OCC[C@@H]1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000163643665 941304119 /nfs/dbraw/zinc/30/41/19/941304119.db2.gz OHAOEHTXDXJOLB-QEORTHHSSA-N 0 3 358.488 3.897 20 30 FHEDHN CS[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000414904082 941509426 /nfs/dbraw/zinc/50/94/26/941509426.db2.gz LAQSYVLEAKZORG-FQEVSTJZSA-N 0 3 367.518 3.553 20 30 FHEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccccc1I ZINC000472747869 941668024 /nfs/dbraw/zinc/66/80/24/941668024.db2.gz IBBRFHFRHXGFTC-CZUORRHYSA-N 0 3 371.262 3.755 20 30 FHEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415239997 941694695 /nfs/dbraw/zinc/69/46/95/941694695.db2.gz PIFPMCFOBRKWNB-UONOGXRCSA-N 0 3 368.412 3.704 20 30 FHEDHN C=CCN(CCc1ccccc1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000472764599 941713287 /nfs/dbraw/zinc/71/32/87/941713287.db2.gz CQWLNPJMWYYDHV-LJQANCHMSA-N 0 3 350.462 3.638 20 30 FHEDHN N#Cc1cccc(OCCCN2CCCN(c3ccccc3F)CC2)c1 ZINC000513374716 941883457 /nfs/dbraw/zinc/88/34/57/941883457.db2.gz CHLREFVYXBNZQW-UHFFFAOYSA-N 0 3 353.441 3.679 20 30 FHEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCOC[C@H](C)C3)sc2C1 ZINC000328672508 941961300 /nfs/dbraw/zinc/96/13/00/941961300.db2.gz IFQPGKYSDUMVJE-UONOGXRCSA-N 0 3 361.511 3.691 20 30 FHEDHN C=C(C)[C@@H](NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1 ZINC000433910405 941980258 /nfs/dbraw/zinc/98/02/58/941980258.db2.gz FLBINSRRSNCRJE-VQIMIIECSA-N 0 3 363.452 3.898 20 30 FHEDHN N#Cc1cccc(NC(=O)CCN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000434052955 942056747 /nfs/dbraw/zinc/05/67/47/942056747.db2.gz LZNNDPFUXVQFND-GOSISDBHSA-N 0 3 369.490 3.630 20 30 FHEDHN CO[C@@]1(C)CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000280626881 942216610 /nfs/dbraw/zinc/21/66/10/942216610.db2.gz XAYBSSSDRXTFTG-NQIIRXRSSA-N 0 3 357.498 3.521 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C(=C)C)c2ccc(F)c(F)c2)CC1 ZINC000187836894 942233005 /nfs/dbraw/zinc/23/30/05/942233005.db2.gz OKNXVUORXKSGQG-LJQANCHMSA-N 0 3 363.452 3.922 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(COc2ccc(OC)cc2)n1 ZINC000280689010 942234517 /nfs/dbraw/zinc/23/45/17/942234517.db2.gz RHAHAQGJOHTCDZ-QRWLVFNGSA-N 0 3 374.506 3.802 20 30 FHEDHN CSc1ccc([C@H](C)N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000501019903 942265738 /nfs/dbraw/zinc/26/57/38/942265738.db2.gz JYTSSUXQEGHPLE-IFXJQAMLSA-N 0 3 351.475 3.736 20 30 FHEDHN C=CCC1(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CCOCC1 ZINC000424850610 942404304 /nfs/dbraw/zinc/40/43/04/942404304.db2.gz MXRAQPZHCNTWED-HXUWFJFHSA-N 0 3 374.525 3.566 20 30 FHEDHN N#Cc1ccc(OCCN[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000501520456 942522477 /nfs/dbraw/zinc/52/24/77/942522477.db2.gz DXNLRZLLTUUNSR-QGZVFWFLSA-N 0 3 373.250 3.813 20 30 FHEDHN C=CCCO[C@H](C)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000501764226 942666038 /nfs/dbraw/zinc/66/60/38/942666038.db2.gz TXMLGPGXMJPNQE-XLIONFOSSA-N 0 3 358.526 3.557 20 30 FHEDHN Cc1sc(NC(=O)CN[C@@H](c2ccccc2)[C@@H]2CCOC2)c(C#N)c1C ZINC000378504941 942839074 /nfs/dbraw/zinc/83/90/74/942839074.db2.gz CIOIMTNCHBMFLM-APWZRJJASA-N 0 3 369.490 3.543 20 30 FHEDHN COc1ccc(NC(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)cn1 ZINC000505466890 942858229 /nfs/dbraw/zinc/85/82/29/942858229.db2.gz JGNOPHFZQGSYKC-HNNXBMFYSA-N 0 3 364.430 3.768 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCSC(C)(C)CC1 ZINC000434677646 942863117 /nfs/dbraw/zinc/86/31/17/942863117.db2.gz ZJBSJZNTPLNIPH-OAHLLOKOSA-N 0 3 352.569 3.869 20 30 FHEDHN COC[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000434790330 942970194 /nfs/dbraw/zinc/97/01/94/942970194.db2.gz SZENQOBJDIKCTR-FGZHOGPDSA-N 0 3 364.489 3.670 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)N2CCCC2)cc1 ZINC000435000494 943084519 /nfs/dbraw/zinc/08/45/19/943084519.db2.gz RMYSMBBGNCITCN-QFIPXVFZSA-N 0 3 373.500 3.852 20 30 FHEDHN CS(=O)(=O)c1cccc([C@H](NCCCCC#N)c2ccc(F)cc2)c1 ZINC000272501476 943167052 /nfs/dbraw/zinc/16/70/52/943167052.db2.gz VOJXDYAYWVHHBT-LJQANCHMSA-N 0 3 360.454 3.602 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)CC1 ZINC000435184438 943235021 /nfs/dbraw/zinc/23/50/21/943235021.db2.gz SECOUDYIULFAIG-RTWAWAEBSA-N 0 3 371.525 3.635 20 30 FHEDHN C=CCC[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000435274067 943295892 /nfs/dbraw/zinc/29/58/92/943295892.db2.gz FWYCPXSMYKJLLM-HXUWFJFHSA-N 0 3 356.510 3.845 20 30 FHEDHN CN1C(=O)C[C@@H](NCCC2(C#N)CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514844994 943326859 /nfs/dbraw/zinc/32/68/59/943326859.db2.gz QLDUWGHWATZSCR-MJGOQNOKSA-N 0 3 361.436 3.690 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3ccc(CC)cc3)C2)CC1 ZINC000431921090 943348945 /nfs/dbraw/zinc/34/89/45/943348945.db2.gz WDPNWVDRYUBHHJ-HXUWFJFHSA-N 0 3 355.526 3.788 20 30 FHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435352426 943350878 /nfs/dbraw/zinc/35/08/78/943350878.db2.gz DVOBRUNGOLBNOB-LJQANCHMSA-N 0 3 373.500 3.713 20 30 FHEDHN CCc1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2C)N(C)C)cc1 ZINC000431950620 943648378 /nfs/dbraw/zinc/64/83/78/943648378.db2.gz MHRULGVEEKVNLC-FQEVSTJZSA-N 0 3 350.466 3.854 20 30 FHEDHN CCCc1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)c2cccs2)cc1 ZINC000424071043 943708232 /nfs/dbraw/zinc/70/82/32/943708232.db2.gz YYBAFXUXHQQQOG-HKUYNNGSSA-N 0 3 355.507 3.927 20 30 FHEDHN CCCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424088122 943724728 /nfs/dbraw/zinc/72/47/28/943724728.db2.gz JCCIVELPJYXLEB-ZDUSSCGKSA-N 0 3 356.392 3.877 20 30 FHEDHN Cc1nc(NC(=O)[C@@H](N)CCCC#N)sc1Cc1ccccc1Cl ZINC000424090208 943726729 /nfs/dbraw/zinc/72/67/29/943726729.db2.gz KGZIXLPUEQNWRZ-AWEZNQCLSA-N 0 3 362.886 3.655 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000424139575 943748289 /nfs/dbraw/zinc/74/82/89/943748289.db2.gz RJYCBRQJZYDRIY-MRXNPFEDSA-N 0 3 356.857 3.912 20 30 FHEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000424141097 943748964 /nfs/dbraw/zinc/74/89/64/943748964.db2.gz OLCMNLOAXWCSEP-DZFGPLHGSA-N 0 3 366.461 3.556 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000424154610 943755413 /nfs/dbraw/zinc/75/54/13/943755413.db2.gz ONELZBWDNWQTQN-UXHICEINSA-N 0 3 367.880 3.987 20 30 FHEDHN COc1cccc([C@H](NC(=O)[C@H](N)CCCC#N)c2ccccc2Cl)c1 ZINC000424131378 943757614 /nfs/dbraw/zinc/75/76/14/943757614.db2.gz UYIHLCKMHBAGIH-MOPGFXCFSA-N 0 3 371.868 3.575 20 30 FHEDHN COc1ccccc1[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1Cl ZINC000424133581 943759390 /nfs/dbraw/zinc/75/93/90/943759390.db2.gz XMAWTFHBBZDJJU-IEBWSBKVSA-N 0 3 371.868 3.575 20 30 FHEDHN N#Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl ZINC000504883115 943882551 /nfs/dbraw/zinc/88/25/51/943882551.db2.gz SEZMZBOOBVVQOQ-SFHVURJKSA-N 0 3 368.868 3.998 20 30 FHEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)C2CCC(C)CC2)cc1 ZINC000515549661 943983861 /nfs/dbraw/zinc/98/38/61/943983861.db2.gz MPZHQEFVOCPSLV-UHFFFAOYSA-N 0 3 357.498 3.842 20 30 FHEDHN CCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000515626815 944059409 /nfs/dbraw/zinc/05/94/09/944059409.db2.gz ALOBCACGQVHZNG-LJQANCHMSA-N 0 3 366.440 3.826 20 30 FHEDHN CCCN(CCN1CCCCC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000500101343 944098746 /nfs/dbraw/zinc/09/87/46/944098746.db2.gz WNNXZGMOCDSZHY-HXUWFJFHSA-N 0 3 356.514 3.939 20 30 FHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425489600 944108603 /nfs/dbraw/zinc/10/86/03/944108603.db2.gz NZOIWUSWMBBIJV-QZTJIDSGSA-N 0 3 364.493 3.781 20 30 FHEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000436266889 944142690 /nfs/dbraw/zinc/14/26/90/944142690.db2.gz PPZDWHLHLFYKSZ-NHCUHLMSSA-N 0 3 371.525 3.897 20 30 FHEDHN COC(=O)[C@H](C)Oc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418140247 944199552 /nfs/dbraw/zinc/19/95/52/944199552.db2.gz FNRNISRBUGPETG-YCRPNKLZSA-N 0 3 364.445 3.666 20 30 FHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000418150107 944211427 /nfs/dbraw/zinc/21/14/27/944211427.db2.gz VZMQKTGWSXIGAU-IBGZPJMESA-N 0 3 372.428 3.844 20 30 FHEDHN CC(C)[C@@H](CNC(=O)C1(C#N)CCCCC1)N1CCc2ccccc2C1 ZINC000518490734 944423033 /nfs/dbraw/zinc/42/30/33/944423033.db2.gz SARVCLRDFISYKJ-HXUWFJFHSA-N 0 3 353.510 3.660 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000518509755 944454822 /nfs/dbraw/zinc/45/48/22/944454822.db2.gz OAUYDVLXVGAPIW-QGZVFWFLSA-N 0 3 359.514 3.875 20 30 FHEDHN COCCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCSC1 ZINC000566650178 944472430 /nfs/dbraw/zinc/47/24/30/944472430.db2.gz RLOKAVDVBDUSJB-HNNXBMFYSA-N 0 3 358.429 3.921 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC(Cc3ccccc3Cl)C2)CC1 ZINC000439307902 944529848 /nfs/dbraw/zinc/52/98/48/944529848.db2.gz SAHPWPXGMMNLFU-UHFFFAOYSA-N 0 3 361.917 3.564 20 30 FHEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)n1 ZINC000112222381 944550440 /nfs/dbraw/zinc/55/04/40/944550440.db2.gz ZZODJXOMTSCBAT-CQSZACIVSA-N 0 3 354.410 3.883 20 30 FHEDHN N#Cc1ccc(N2CCC[C@@H](N[C@H]3CCc4cc(Cl)ccc43)C2=O)cc1 ZINC000506217570 944552884 /nfs/dbraw/zinc/55/28/84/944552884.db2.gz JKVYSMBURWXTGC-VQTJNVASSA-N 0 3 365.864 3.984 20 30 FHEDHN C=C(C)COc1cc(CN[C@H]2C[C@H](CO)c3ccccc32)ccc1OC ZINC000364444094 944720395 /nfs/dbraw/zinc/72/03/95/944720395.db2.gz UWYHINOFPSIGHR-XLIONFOSSA-N 0 3 353.462 3.961 20 30 FHEDHN N#CC(C(=O)CCCOCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000140319119 944738968 /nfs/dbraw/zinc/73/89/68/944738968.db2.gz JNYCFSQXAAHSGD-INIZCTEOSA-N 0 3 370.836 3.984 20 30 FHEDHN N#Cc1c(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cccc1C(F)F ZINC000517960939 944875511 /nfs/dbraw/zinc/87/55/11/944875511.db2.gz LSBHTFIXALZUOR-HZPDHXFCSA-N 0 3 357.404 3.543 20 30 FHEDHN N#Cc1c(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cccc1C(F)F ZINC000517960942 944875839 /nfs/dbraw/zinc/87/58/39/944875839.db2.gz LSBHTFIXALZUOR-JKSUJKDBSA-N 0 3 357.404 3.543 20 30 FHEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000426854098 944889376 /nfs/dbraw/zinc/88/93/76/944889376.db2.gz PPYCFUHBKOVPNX-UHFFFAOYSA-N 0 3 355.869 3.724 20 30 FHEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000426128918 944986378 /nfs/dbraw/zinc/98/63/78/944986378.db2.gz PFNINDYZWQIVHR-MRXNPFEDSA-N 0 3 354.841 3.608 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000507230553 945051789 /nfs/dbraw/zinc/05/17/89/945051789.db2.gz OJWKSBPLXBXWCZ-GJZGRUSLSA-N 0 3 368.506 3.878 20 30 FHEDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330205620 945401711 /nfs/dbraw/zinc/40/17/11/945401711.db2.gz CPWGNRHWEWUQML-UZLBHIALSA-N 0 3 372.465 3.863 20 30 FHEDHN N#CC1(c2ccccc2)CCC(NCc2nncn2-c2ccccc2)CC1 ZINC000507646374 945414707 /nfs/dbraw/zinc/41/47/07/945414707.db2.gz XIZBBPFLHGHWML-UHFFFAOYSA-N 0 3 357.461 3.761 20 30 FHEDHN Cn1cnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C3CCCC3)c2)n1 ZINC000330252728 945426722 /nfs/dbraw/zinc/42/67/22/945426722.db2.gz AFJFZWZTAMRSKY-SFHVURJKSA-N 0 3 353.470 3.867 20 30 FHEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000330255223 945428039 /nfs/dbraw/zinc/42/80/39/945428039.db2.gz JWGLZBXWCQXCCT-LKTVYLICSA-N 0 3 353.260 3.583 20 30 FHEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000473615615 945496568 /nfs/dbraw/zinc/49/65/68/945496568.db2.gz QHNNCTHVXIHICI-RBBKRZOGSA-N 0 3 358.526 3.805 20 30 FHEDHN Cc1nc(-c2cccs2)sc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125086713 945577428 /nfs/dbraw/zinc/57/74/28/945577428.db2.gz FCHPOTDBFPAAGN-NSHDSACASA-N 0 3 368.443 3.536 20 30 FHEDHN Cc1nc2c(n1[C@@H]1CCN([C@@H](C)C(=O)NC3CCCCC3)C1)CCCC2 ZINC000330347355 945636802 /nfs/dbraw/zinc/63/68/02/945636802.db2.gz HMXUCZXMFKXPLC-MAUKXSAKSA-N 0 3 358.530 3.995 20 30 FHEDHN Cc1nc2c(n1[C@H]1CCN(CC(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330349979 945638744 /nfs/dbraw/zinc/63/87/44/945638744.db2.gz KNVWFJNKTPGYPT-VJFUWPCTSA-N 0 3 358.530 3.852 20 30 FHEDHN Cc1nc2c(n1[C@@H]1CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)C1)CCCC2 ZINC000330355911 945660581 /nfs/dbraw/zinc/66/05/81/945660581.db2.gz RBFKAQSHEQEMNS-KBAYOESNSA-N 0 3 358.530 3.852 20 30 FHEDHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000125212261 945671595 /nfs/dbraw/zinc/67/15/95/945671595.db2.gz GKLMRSPEULDCLW-WBVHZDCISA-N 0 3 365.433 3.628 20 30 FHEDHN CC(C)CN(Cc1ccc(C#N)cc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000519744606 945709143 /nfs/dbraw/zinc/70/91/43/945709143.db2.gz SPFUPTCAWZDJEJ-KRWDZBQOSA-N 0 3 367.415 3.570 20 30 FHEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(c3ccco3)CC2)c(OC)c1 ZINC000661165689 945803557 /nfs/dbraw/zinc/80/35/57/945803557.db2.gz YFSNMBVAYJEOMY-IBGZPJMESA-N 0 3 371.477 3.636 20 30 FHEDHN CCS(=O)(=O)c1c(Cl)cccc1CNCC1CCC(C#N)CC1 ZINC000281711476 945813941 /nfs/dbraw/zinc/81/39/41/945813941.db2.gz ONCGZVHOMJAAQO-UHFFFAOYSA-N 0 3 354.903 3.553 20 30 FHEDHN C=CCN1CCC(NC(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000188092664 945955226 /nfs/dbraw/zinc/95/52/26/945955226.db2.gz HANRXTNHYYBORR-AWEZNQCLSA-N 0 3 369.431 3.759 20 30 FHEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cc1c(C)cc(C#N)cc1C ZINC001271405245 946000469 /nfs/dbraw/zinc/00/04/69/946000469.db2.gz UNKLSDOCDDGXMX-GGAORHGYSA-N 0 3 373.500 3.861 20 30 FHEDHN C#Cc1ccc(C(=O)N(CCC)[C@@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000728821567 946073837 /nfs/dbraw/zinc/07/38/37/946073837.db2.gz AKSVCYAMPSXEIA-JOCHJYFZSA-N 0 3 361.489 3.580 20 30 FHEDHN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000441385323 946560215 /nfs/dbraw/zinc/56/02/15/946560215.db2.gz ZLDMDOTWDFMROQ-FQEVSTJZSA-N 0 3 355.526 3.933 20 30 FHEDHN C=CCN(CC(=O)NCc1cccc(OCC(F)(F)F)c1)C(C)(C)C ZINC000661756448 946583190 /nfs/dbraw/zinc/58/31/90/946583190.db2.gz PLVKBFMZOTVOSW-UHFFFAOYSA-N 0 3 358.404 3.530 20 30 FHEDHN CN(Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867260 946744047 /nfs/dbraw/zinc/74/40/47/946744047.db2.gz WOKAPLNCFCNGCO-OAQYLSRUSA-N 0 3 366.505 3.922 20 30 FHEDHN Cc1cc(C#N)cnc1C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894986946 946823521 /nfs/dbraw/zinc/82/35/21/946823521.db2.gz WTQIEYUZFHOMKF-UHFFFAOYSA-N 0 3 362.355 3.594 20 30 FHEDHN CCc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)N(C)C)cc1 ZINC000049799186 946845406 /nfs/dbraw/zinc/84/54/06/946845406.db2.gz BOLSNEFAOLRMIE-OAQYLSRUSA-N 0 3 364.493 3.565 20 30 FHEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475312175 946867407 /nfs/dbraw/zinc/86/74/07/946867407.db2.gz KMQGJYSUDNWEHJ-FQEVSTJZSA-N 0 3 367.468 3.803 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475322815 946899048 /nfs/dbraw/zinc/89/90/48/946899048.db2.gz SOUYNSQYPLOHLN-QFIPXVFZSA-N 0 3 374.488 3.536 20 30 FHEDHN Cc1ccc(NC(=O)NC(=O)CN2CC[C@H](C3CCOCC3)C2)cc1C ZINC000328725904 946982593 /nfs/dbraw/zinc/98/25/93/946982593.db2.gz BQUKSSJSNLAFEX-KRWDZBQOSA-N 0 3 359.470 3.540 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328807667 947030016 /nfs/dbraw/zinc/03/00/16/947030016.db2.gz MFFSGSVWPLCWGR-QLIIJSOBSA-N 0 3 374.525 3.650 20 30 FHEDHN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328811056 947032298 /nfs/dbraw/zinc/03/22/98/947032298.db2.gz MTAXCCSSDHHHRQ-UUXHPUJUSA-N 0 3 360.498 3.648 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000328831802 947055002 /nfs/dbraw/zinc/05/50/02/947055002.db2.gz RIOGPRWOGCCBJE-HOJAQTOUSA-N 0 3 371.525 3.675 20 30 FHEDHN CC[C@@H]1CCCCN1CCNC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000328879215 947080146 /nfs/dbraw/zinc/08/01/46/947080146.db2.gz JRXDRLBJCRPVAR-HZPDHXFCSA-N 0 3 365.543 3.915 20 30 FHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@H](C)c1sc(C)nc1C ZINC000246321642 947250378 /nfs/dbraw/zinc/25/03/78/947250378.db2.gz IISNEPFMOMXEMA-CRAIPNDOSA-N 0 3 360.523 3.921 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)Oc2cccc(F)c2)cc1 ZINC000128527616 947675452 /nfs/dbraw/zinc/67/54/52/947675452.db2.gz SMQYGTPDRZDMLR-UGSOOPFHSA-N 0 3 354.381 3.503 20 30 FHEDHN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000441486030 947967644 /nfs/dbraw/zinc/96/76/44/947967644.db2.gz MIEJUPANPYMPPJ-BHIYHBOVSA-N 0 3 366.465 3.634 20 30 FHEDHN CCCCN1Cc2cccc(N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2C1 ZINC000066967337 948110425 /nfs/dbraw/zinc/11/04/25/948110425.db2.gz HYENOWLYDNTDCQ-KKSFZXQISA-N 0 3 356.514 3.657 20 30 FHEDHN C=C(C)Cn1c(C2CC2)nnc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000549638174 948745317 /nfs/dbraw/zinc/74/53/17/948745317.db2.gz VONXDBRWHOJJRZ-UHFFFAOYSA-N 0 3 365.525 3.832 20 30 FHEDHN CC(=O)Nc1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)ccc1F ZINC000066005079 221238291 /nfs/dbraw/zinc/23/82/91/221238291.db2.gz SFZOVBXXUBUELQ-GFCCVEGCSA-N 0 3 365.286 3.688 20 30 FHEDHN C=CCc1cc(OCC)cc(CN2CCN(c3ccccc3)CC2)c1O ZINC000108038511 534418055 /nfs/dbraw/zinc/41/80/55/534418055.db2.gz WUNAUYCEMXYCTB-UHFFFAOYSA-N 0 3 352.478 3.842 20 30 FHEDHN N#CC(C(=O)c1cnn(-c2ccccc2F)c1)c1ccc(C(F)(F)F)cn1 ZINC000060766614 567854167 /nfs/dbraw/zinc/85/41/67/567854167.db2.gz BAQYBWOKWKGKHB-CYBMUJFWSA-N 0 3 374.297 3.915 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1cccc(Br)c1 ZINC000602518127 567986863 /nfs/dbraw/zinc/98/68/63/567986863.db2.gz KETFSXQVEIECHB-CQSZACIVSA-N 0 3 367.287 3.516 20 30 FHEDHN COc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(C(F)(F)F)c1 ZINC000602530583 567988270 /nfs/dbraw/zinc/98/82/70/567988270.db2.gz RZZDPSWVMHGXEG-CYBMUJFWSA-N 0 3 356.388 3.903 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000602508867 567988957 /nfs/dbraw/zinc/98/89/57/567988957.db2.gz BXANDPDSLVYWLU-MRXNPFEDSA-N 0 3 355.482 3.614 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1ccccc1C(F)(F)F ZINC000602540112 567992880 /nfs/dbraw/zinc/99/28/80/567992880.db2.gz VVWWRXXZSKLDLD-CQSZACIVSA-N 0 3 356.388 3.773 20 30 FHEDHN N#CCCCOc1cccc(CN2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000162641385 568000114 /nfs/dbraw/zinc/00/01/14/568000114.db2.gz RWERRJPZHZUTQR-UHFFFAOYSA-N 0 3 369.509 3.594 20 30 FHEDHN C[C@@H](CCC#N)CN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000602599894 568000462 /nfs/dbraw/zinc/00/04/62/568000462.db2.gz TTWSELAJVCGHIN-DOTOQJQBSA-N 0 3 357.502 3.658 20 30 FHEDHN C[C@H](CCC#N)CN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000602599896 568000498 /nfs/dbraw/zinc/00/04/98/568000498.db2.gz TTWSELAJVCGHIN-NVXWUHKLSA-N 0 3 357.502 3.658 20 30 FHEDHN C[C@@H](CCC#N)CNCc1c(Br)cncc1Br ZINC000602671972 568008272 /nfs/dbraw/zinc/00/82/72/568008272.db2.gz AUFZQJXVHYWCLK-VIFPVBQESA-N 0 3 361.081 3.636 20 30 FHEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000602917338 568012479 /nfs/dbraw/zinc/01/24/79/568012479.db2.gz DPQFPBLKSOBFHJ-NHCUHLMSSA-N 0 3 352.478 3.523 20 30 FHEDHN C=CCC1(NCc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602708758 568018434 /nfs/dbraw/zinc/01/84/34/568018434.db2.gz LXCPITNOKVEOIX-UHFFFAOYSA-N 0 3 361.261 3.634 20 30 FHEDHN CN(C)CCN(Cc1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000568565510 568051606 /nfs/dbraw/zinc/05/16/06/568051606.db2.gz NNYOQPJNYNYCRY-UHFFFAOYSA-N 0 3 372.310 3.885 20 30 FHEDHN N#Cc1cccc(OCCCN2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000481608759 568065001 /nfs/dbraw/zinc/06/50/01/568065001.db2.gz MDAPAPHCJLVNPA-UHFFFAOYSA-N 0 3 368.452 3.536 20 30 FHEDHN C[C@@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481647059 568080414 /nfs/dbraw/zinc/08/04/14/568080414.db2.gz ZKMZZBAGQDYCDO-KSFYIVLOSA-N 0 3 372.472 3.714 20 30 FHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc2cccc(OC)c2o1)C(C)C ZINC000603287895 568083064 /nfs/dbraw/zinc/08/30/64/568083064.db2.gz ROMYSVFISWHOBI-QGZVFWFLSA-N 0 3 356.466 3.870 20 30 FHEDHN COC(=O)COc1cccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481678702 568085259 /nfs/dbraw/zinc/08/52/59/568085259.db2.gz RAIYQTMWSMHYMS-NRFANRHFSA-N 0 3 364.445 3.667 20 30 FHEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000068883573 568093067 /nfs/dbraw/zinc/09/30/67/568093067.db2.gz HEAUSEPNAYKBDJ-JOCHJYFZSA-N 0 3 374.488 3.530 20 30 FHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291440305 568161089 /nfs/dbraw/zinc/16/10/89/568161089.db2.gz GAFSLFPCEWGEHZ-LPHOPBHVSA-N 0 3 364.401 3.588 20 30 FHEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1c[nH]c2ccc(F)cc12)C(C)C ZINC000604332295 568251284 /nfs/dbraw/zinc/25/12/84/568251284.db2.gz UNIZOWOQBAUTCK-FQEVSTJZSA-N 0 3 357.473 3.664 20 30 FHEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000007785550 568255892 /nfs/dbraw/zinc/25/58/92/568255892.db2.gz XSASDYONFJDUFH-UHFFFAOYSA-N 0 3 353.491 3.959 20 30 FHEDHN COCCN(CCCc1ccc2c(c1)CCO2)Cc1ccc(C#N)cc1 ZINC000482085348 568257846 /nfs/dbraw/zinc/25/78/46/568257846.db2.gz XGFSVTDFVAYUJQ-UHFFFAOYSA-N 0 3 350.462 3.574 20 30 FHEDHN CC(C)C[C@@H](CN(C)C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000482085423 568257938 /nfs/dbraw/zinc/25/79/38/568257938.db2.gz SEOUCNFHNUPFEK-FQEVSTJZSA-N 0 3 358.530 3.702 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)CC1 ZINC000303301779 568265617 /nfs/dbraw/zinc/26/56/17/568265617.db2.gz QDEVESYXXRYDOW-QGZVFWFLSA-N 0 3 358.526 3.908 20 30 FHEDHN COc1ccc2c(c1)C[C@@H](C)N(CCC(=O)Nc1ccc(C#N)cc1)[C@@H]2C ZINC000541948046 568272705 /nfs/dbraw/zinc/27/27/05/568272705.db2.gz DUGDLLKOEBUFOF-HZPDHXFCSA-N 0 3 363.461 3.903 20 30 FHEDHN CCO[C@H]1C[C@H](NCC(=O)Nc2sc(C)c(C)c2C#N)C1(CC)CC ZINC000482136367 568287464 /nfs/dbraw/zinc/28/74/64/568287464.db2.gz PICHOCDUNAEJLH-HOTGVXAUSA-N 0 3 363.527 3.749 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(OC(F)F)cc1 ZINC000569507851 568404245 /nfs/dbraw/zinc/40/42/45/568404245.db2.gz IALGKBRQEJOKMT-UHFFFAOYSA-N 0 3 359.420 3.723 20 30 FHEDHN N#Cc1c(C#N)c(N2CCC[C@H](N3CCCC3)C2)nc2c1CCCCCC2 ZINC000408330893 568700559 /nfs/dbraw/zinc/70/05/59/568700559.db2.gz UHGVYCKJHWBMKT-KRWDZBQOSA-N 0 3 363.509 3.549 20 30 FHEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccc(Br)cc3)C2)nc1 ZINC000582973269 936336877 /nfs/dbraw/zinc/33/68/77/936336877.db2.gz UARBSXZOFTZVJR-OAHLLOKOSA-N 0 3 356.267 3.780 20 30 FHEDHN C=CCOc1ccccc1CN[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000161486190 936358011 /nfs/dbraw/zinc/35/80/11/936358011.db2.gz LXSVHRHTIKGAHT-CQSZACIVSA-N 0 3 359.857 3.807 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000583952012 927586699 /nfs/dbraw/zinc/58/66/99/927586699.db2.gz BWVAPXIXMDVKDS-UHFFFAOYSA-N 0 3 371.859 3.772 20 30 FHEDHN COC(=O)c1ccccc1CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000430183089 927629403 /nfs/dbraw/zinc/62/94/03/927629403.db2.gz BBRQTKMSIYOETE-UHFFFAOYSA-N 0 3 354.475 3.861 20 30 FHEDHN Cc1cc(C(F)(F)F)ccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430185259 927651764 /nfs/dbraw/zinc/65/17/64/927651764.db2.gz GWBYJPNGKXFJLJ-QGZVFWFLSA-N 0 3 361.367 3.934 20 30 FHEDHN C[C@H](NC(=O)Nc1cccc(C#Cc2ccccc2)c1)C1=CCN(C)CC1 ZINC000511235222 937215800 /nfs/dbraw/zinc/21/58/00/937215800.db2.gz ZPSLOGYCZGWQQI-SFHVURJKSA-N 0 3 359.473 3.858 20 30 FHEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3cc4cccnc4o3)CC2)c1 ZINC000583184142 937218211 /nfs/dbraw/zinc/21/82/11/937218211.db2.gz YEXCEFQKEMFPNK-UHFFFAOYSA-N 0 3 360.417 3.550 20 30 FHEDHN N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)c1 ZINC000120323628 928132741 /nfs/dbraw/zinc/13/27/41/928132741.db2.gz GOVQOUKHAJQKQY-IBGZPJMESA-N 0 3 359.433 3.559 20 30 FHEDHN N#Cc1cccc(OCC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)c1 ZINC000120323628 928132746 /nfs/dbraw/zinc/13/27/46/928132746.db2.gz GOVQOUKHAJQKQY-IBGZPJMESA-N 0 3 359.433 3.559 20 30 FHEDHN N#Cc1ccc(OCCN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000064807162 928146792 /nfs/dbraw/zinc/14/67/92/928146792.db2.gz UIWXYLRPVKMVPV-NRFANRHFSA-N 0 3 354.425 3.757 20 30 FHEDHN CN(C)[C@H](CNC(=O)CSc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000178830031 937251527 /nfs/dbraw/zinc/25/15/27/937251527.db2.gz MFYGIOKMXIAPMM-QGZVFWFLSA-N 0 3 373.909 3.723 20 30 FHEDHN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000120618815 929114928 /nfs/dbraw/zinc/11/49/28/929114928.db2.gz UMOACIMXWSPBAA-ZFWWWQNUSA-N 0 3 372.856 3.610 20 30 FHEDHN C=CCC[C@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000180035490 929326980 /nfs/dbraw/zinc/32/69/80/929326980.db2.gz SVSBSOLXBONROZ-PMACEKPBSA-N 0 3 350.462 3.924 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2ccc3c(c2)CC(=O)N3)c([O-])c1 ZINC000255031399 929350415 /nfs/dbraw/zinc/35/04/15/929350415.db2.gz XWBQWFLEPOVZNW-BXSODOALSA-N 0 3 351.450 3.913 20 30 FHEDHN Cc1cc([C@@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C2CC2)ccc1F ZINC000578964172 929755370 /nfs/dbraw/zinc/75/53/70/929755370.db2.gz VEZZSUDSHZOFAQ-MSOLQXFVSA-N 0 3 369.465 3.914 20 30 FHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1c(F)cc(C#N)cc1F ZINC000187317010 929907208 /nfs/dbraw/zinc/90/72/08/929907208.db2.gz FXVUVUUGHBNHIN-IBGZPJMESA-N 0 3 371.431 3.723 20 30 FHEDHN CC[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000278215719 937375002 /nfs/dbraw/zinc/37/50/02/937375002.db2.gz IHDOWFXVILIWLU-RTWAWAEBSA-N 0 3 363.461 3.917 20 30 FHEDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C#N)cc1 ZINC000278215860 937375499 /nfs/dbraw/zinc/37/54/99/937375499.db2.gz IINBAXHNCHCFCA-NRFANRHFSA-N 0 3 367.468 3.899 20 30 FHEDHN C[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000610347787 930057660 /nfs/dbraw/zinc/05/76/60/930057660.db2.gz XJVXYBHNNUVAGY-DYESRHJHSA-N 0 3 362.477 3.756 20 30 FHEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CC[C@H](C)c2ccccc2)cc1 ZINC000160429958 930368023 /nfs/dbraw/zinc/36/80/23/930368023.db2.gz KRZQNQDVTUWRJB-JXFKEZNVSA-N 0 3 364.445 3.604 20 30 FHEDHN CCc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000610400188 930368249 /nfs/dbraw/zinc/36/82/49/930368249.db2.gz QKEGCJPOWRVYCR-IIBYNOLFSA-N 0 3 364.493 3.784 20 30 FHEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000583411121 937419045 /nfs/dbraw/zinc/41/90/45/937419045.db2.gz VZZCTEAJVSGQOG-SJLPKXTDSA-N 0 3 372.431 3.532 20 30 FHEDHN C[C@@H](NC(=O)N(CCN(C)C)CC1CCCCC1)c1cccc(C#N)c1 ZINC000074918106 930599337 /nfs/dbraw/zinc/59/93/37/930599337.db2.gz HZXQBATTWHPHPX-QGZVFWFLSA-N 0 3 356.514 3.773 20 30 FHEDHN CC[C@H](C)N[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccco1 ZINC000581032645 931478360 /nfs/dbraw/zinc/47/83/60/931478360.db2.gz ZLOWJJZGSBDCME-KSSFIOAISA-N 0 3 369.440 3.568 20 30 FHEDHN COc1cc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc(OC)c1OC ZINC000581161321 931625581 /nfs/dbraw/zinc/62/55/81/931625581.db2.gz UMRLJUGNTHFIKZ-UGSOOPFHSA-N 0 3 352.434 3.922 20 30 FHEDHN N#Cc1ccccc1N1CCCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000050960227 931948963 /nfs/dbraw/zinc/94/89/63/931948963.db2.gz DAXCEGNVLUVFCI-UHFFFAOYSA-N 0 3 357.404 3.872 20 30 FHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(-n3cncn3)cc2)s1 ZINC000430589942 931973133 /nfs/dbraw/zinc/97/31/33/931973133.db2.gz JMGGAPDTUPHFAX-CQSZACIVSA-N 0 3 351.435 3.511 20 30 FHEDHN N#Cc1ccnc(N2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000610504289 932001041 /nfs/dbraw/zinc/00/10/41/932001041.db2.gz HQSFBLAMOGPWEZ-UHFFFAOYSA-N 0 3 374.410 3.727 20 30 FHEDHN C=CCOc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1OC ZINC000656791697 932423025 /nfs/dbraw/zinc/42/30/25/932423025.db2.gz JDQZODXIIKQBAJ-OAQYLSRUSA-N 0 3 354.450 3.533 20 30 FHEDHN C#CCC1(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCCCC1 ZINC000276609298 932805096 /nfs/dbraw/zinc/80/50/96/932805096.db2.gz GIJNFOPFNPKZQQ-GOSISDBHSA-N 0 3 353.510 3.697 20 30 FHEDHN Cn1c2ccc(C(=O)NC[C@@H]3CCCCN3C3CC3)cc2nc1C(F)F ZINC000328840132 932871499 /nfs/dbraw/zinc/87/14/99/932871499.db2.gz UKNBZOWWWWZSQI-AWEZNQCLSA-N 0 3 362.424 3.832 20 30 FHEDHN N#CC(C(=O)C=Cc1cncc(F)c1)c1nc2ccccc2n1C(F)F ZINC000255394209 933123730 /nfs/dbraw/zinc/12/37/30/933123730.db2.gz SYIPCQACFTUPFV-CFHLNLSMSA-N 0 3 356.307 3.855 20 30 FHEDHN CCN(C(=O)/C=C\c1ccccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000588457171 933623707 /nfs/dbraw/zinc/62/37/07/933623707.db2.gz GVVILYYMZVXFRC-MLUDITRGSA-N 0 3 359.473 3.694 20 30 FHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000510742103 933628869 /nfs/dbraw/zinc/62/88/69/933628869.db2.gz WIOXIKYQYWGHGM-ZDUSSCGKSA-N 0 3 368.399 3.650 20 30 FHEDHN C=CCOc1ccc(CN2CCC(N3CCO[C@H](C)C3)CC2)cc1Cl ZINC000092078730 933839765 /nfs/dbraw/zinc/83/97/65/933839765.db2.gz QWMNVGXQSXYVEF-MRXNPFEDSA-N 0 3 364.917 3.590 20 30 FHEDHN C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610707811 933862645 /nfs/dbraw/zinc/86/26/45/933862645.db2.gz XLNNOLNKTQEXOE-WWMYMODYSA-N 0 3 362.477 3.581 20 30 FHEDHN CCCN(C(=O)NCC1(CC#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000431194097 934147840 /nfs/dbraw/zinc/14/78/40/934147840.db2.gz QXVAGYRKQOBSTE-HXUWFJFHSA-N 0 3 368.525 3.766 20 30 FHEDHN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000092754733 934165978 /nfs/dbraw/zinc/16/59/78/934165978.db2.gz QPFSMTZBVXMPJF-GOSISDBHSA-N 0 3 371.525 3.742 20 30 FHEDHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000458222666 934392948 /nfs/dbraw/zinc/39/29/48/934392948.db2.gz LWRHZGNSMMFRAP-UHFFFAOYSA-N 0 3 355.507 3.753 20 30 FHEDHN CN(C)CCN(Cc1ccsc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000458225159 934397735 /nfs/dbraw/zinc/39/77/35/934397735.db2.gz PEUBAGXRFJRLNT-LJQANCHMSA-N 0 3 355.507 3.726 20 30 FHEDHN Cc1cc(C(=O)NC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)c(C)o1 ZINC000187674115 934426003 /nfs/dbraw/zinc/42/60/03/934426003.db2.gz XKVZPRUMBWXPIS-HNNXBMFYSA-N 0 3 351.450 3.724 20 30 FHEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cncs1 ZINC000934196769 934980096 /nfs/dbraw/zinc/98/00/96/934980096.db2.gz DLNUSLGNGBCVJV-RYUDHWBXSA-N 0 3 374.535 3.880 20 30 FHEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cncs1 ZINC000934196767 934980183 /nfs/dbraw/zinc/98/01/83/934980183.db2.gz DLNUSLGNGBCVJV-NEPJUHHUSA-N 0 3 374.535 3.880 20 30 FHEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157981543 935252019 /nfs/dbraw/zinc/25/20/19/935252019.db2.gz GAOJCZXJGCNIQJ-AWEZNQCLSA-N 0 3 356.470 3.556 20 30 FHEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000119817506 935258978 /nfs/dbraw/zinc/25/89/78/935258978.db2.gz QMMKXRCJPSFHCB-MRXNPFEDSA-N 0 3 358.442 3.717 20 30 FHEDHN CC(C)[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)N1CCc2ccccc2C1 ZINC000551516912 935301652 /nfs/dbraw/zinc/30/16/52/935301652.db2.gz VUQJWYCNOZESSE-OAQYLSRUSA-N 0 3 365.452 3.510 20 30 FHEDHN C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000551943104 935382057 /nfs/dbraw/zinc/38/20/57/935382057.db2.gz PWTRWAJEARUQKL-HUBLWGQQSA-N 0 3 363.552 3.557 20 30 FHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000127556747 935622634 /nfs/dbraw/zinc/62/26/34/935622634.db2.gz WXAJOESZVZNSLN-DYVFJYSZSA-N 0 3 356.809 3.763 20 30 FHEDHN N#CC(C(=O)CCc1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 ZINC000051653873 935640200 /nfs/dbraw/zinc/64/02/00/935640200.db2.gz YEHKYDIHQSNHER-CQSZACIVSA-N 0 3 353.249 3.694 20 30 FHEDHN C[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000582423121 935682022 /nfs/dbraw/zinc/68/20/22/935682022.db2.gz IBGCTFSXKOSYDR-KCXAZCMYSA-N 0 3 353.388 3.636 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)Cc2cc(C#N)cs2)C1 ZINC000892260720 935685289 /nfs/dbraw/zinc/68/52/89/935685289.db2.gz QMBSEYKONWQTNZ-YJBOKZPZSA-N 0 3 368.506 3.597 20 30 FHEDHN N#CCc1ccsc1C(=O)N[C@@H]1c2ccccc2CC[C@H]1N1CCCC1 ZINC000892260741 935686777 /nfs/dbraw/zinc/68/67/77/935686777.db2.gz CIFONTLYIWYOQQ-RTBURBONSA-N 0 3 365.502 3.696 20 30 FHEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000097036584 935770550 /nfs/dbraw/zinc/77/05/50/935770550.db2.gz AIFOJBUPZNBCPQ-LJQANCHMSA-N 0 3 352.413 3.656 20 30 FHEDHN COc1ccc([C@H](CCC#N)N[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000375723190 935892873 /nfs/dbraw/zinc/89/28/73/935892873.db2.gz DEJYYBURASMWEP-ICSRJNTNSA-N 0 3 350.466 3.694 20 30 FHEDHN CC[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000472237712 935916313 /nfs/dbraw/zinc/91/63/13/935916313.db2.gz GRQOPZZTWYHDDR-IRLDBZIGSA-N 0 3 361.489 3.690 20 30 FHEDHN C=CCN(CC=C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472252571 936047035 /nfs/dbraw/zinc/04/70/35/936047035.db2.gz UIYKFHZLPRPMRS-UHFFFAOYSA-N 0 3 366.465 3.621 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2ccc(Sc3ccncc3)cc2)CC1 ZINC000153310243 936104084 /nfs/dbraw/zinc/10/40/84/936104084.db2.gz YZVGIGTUSOIKNZ-UHFFFAOYSA-N 0 3 351.475 3.517 20 30 FHEDHN C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000583501411 938280394 /nfs/dbraw/zinc/28/03/94/938280394.db2.gz HMARZAYICVKKPC-QRQLOZEOSA-N 0 3 370.493 3.585 20 30 FHEDHN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C#N)cc1 ZINC000278328287 938308820 /nfs/dbraw/zinc/30/88/20/938308820.db2.gz VYNHYGJAQPJQBC-FQEVSTJZSA-N 0 3 353.441 3.775 20 30 FHEDHN C=CCC[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000278395312 938383555 /nfs/dbraw/zinc/38/35/55/938383555.db2.gz AYUGFOSPGDYOQE-GHTZIAJQSA-N 0 3 371.525 3.589 20 30 FHEDHN C=C(C)[C@@H](NC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000458660414 938388206 /nfs/dbraw/zinc/38/82/06/938388206.db2.gz FPRGRIBNESPFDS-AUUYWEPGSA-N 0 3 363.452 3.708 20 30 FHEDHN C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536193455 938543607 /nfs/dbraw/zinc/54/36/07/938543607.db2.gz VGCXEJZRHSXPTQ-FGZHOGPDSA-N 0 3 363.505 3.872 20 30 FHEDHN CN(C)[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000151472720 938552009 /nfs/dbraw/zinc/55/20/09/938552009.db2.gz UVXIWFVTIWJDFK-VQTJNVASSA-N 0 3 350.466 3.634 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)c1ccccc1CC#N)c1cccc(OC)c1 ZINC000600983737 938928919 /nfs/dbraw/zinc/92/89/19/938928919.db2.gz NWIPEMIJOTWQHZ-NRFANRHFSA-N 0 3 365.477 3.574 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000074877125 938972938 /nfs/dbraw/zinc/97/29/38/938972938.db2.gz NBQZAUIJYCERDI-RTWAWAEBSA-N 0 3 371.525 3.555 20 30 FHEDHN C=CCN1CCC(NC(=O)N(C)Cc2oc3c(cccc3C)c2C)CC1 ZINC000650853042 939004577 /nfs/dbraw/zinc/00/45/77/939004577.db2.gz ZQYKZRNSSVCXTL-UHFFFAOYSA-N 0 3 355.482 3.841 20 30 FHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccccc1-c1ccnn1C ZINC000507402377 945222573 /nfs/dbraw/zinc/22/25/73/945222573.db2.gz KVWAEIONFJGJAF-UHFFFAOYSA-N 0 3 360.461 3.607 20 30 FHEDHN CC1CCN([C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)c2cccs2)CC1 ZINC000612091884 939049546 /nfs/dbraw/zinc/04/95/46/939049546.db2.gz YAMKPTWQTZHEAH-XLIONFOSSA-N 0 3 374.554 3.856 20 30 FHEDHN N#CC(C(=O)C[C@@H]1CCC2(CCOCC2)CO1)c1ccc2ccccc2n1 ZINC000892428442 939081421 /nfs/dbraw/zinc/08/14/21/939081421.db2.gz ZWKIEIGSEOXLAA-ZWKOTPCHSA-N 0 3 364.445 3.777 20 30 FHEDHN C#CCCOc1ccc(CN[C@H](CC(C)C)C(=O)Nc2nccs2)cc1 ZINC000179436763 939159833 /nfs/dbraw/zinc/15/98/33/939159833.db2.gz NDGGNKOCXZHNQQ-GOSISDBHSA-N 0 3 371.506 3.688 20 30 FHEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001125784664 939180763 /nfs/dbraw/zinc/18/07/63/939180763.db2.gz XAPMYCHQTHZLPT-LJQANCHMSA-N 0 3 363.505 3.636 20 30 FHEDHN N#Cc1ccccc1Cn1cccc1CN[C@@H]1C[C@H](CO)c2ccccc21 ZINC000364554570 939962461 /nfs/dbraw/zinc/96/24/61/939962461.db2.gz YMPNNLHOZWDVND-AUSIDOKSSA-N 0 3 357.457 3.719 20 30 FHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cncc(C(C)=O)c2)cc1 ZINC000892490045 940026615 /nfs/dbraw/zinc/02/66/15/940026615.db2.gz OPFPGLJQMZJUAS-IBGZPJMESA-N 0 3 363.417 3.588 20 30 FHEDHN N#Cc1ccccc1OCCN1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000548926273 940045450 /nfs/dbraw/zinc/04/54/50/940045450.db2.gz QFNUPIBWTNGESG-UHFFFAOYSA-N 0 3 365.452 3.603 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000892496293 940063935 /nfs/dbraw/zinc/06/39/35/940063935.db2.gz XSHDUQIJTPYCJX-ZWKOTPCHSA-N 0 3 368.477 3.951 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2ccccc2c1 ZINC000065931283 940078763 /nfs/dbraw/zinc/07/87/63/940078763.db2.gz FZDDBSAHMJSFCD-UHFFFAOYSA-N 0 3 357.457 3.915 20 30 FHEDHN COC(=O)[C@@H](C)Oc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180030920 940275545 /nfs/dbraw/zinc/27/55/45/940275545.db2.gz IPLHMNNMPHUZMA-MRXNPFEDSA-N 0 3 364.445 3.663 20 30 FHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000466920393 940299951 /nfs/dbraw/zinc/29/99/51/940299951.db2.gz PKMVALFPGGJCCB-WFASDCNBSA-N 0 3 353.919 3.582 20 30 FHEDHN Cc1ccc(OCCCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1C ZINC000177599224 940302536 /nfs/dbraw/zinc/30/25/36/940302536.db2.gz DWJIWXMCAKQTDV-LJQANCHMSA-N 0 3 350.418 3.810 20 30 FHEDHN COc1csc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)c1 ZINC000177599839 940302989 /nfs/dbraw/zinc/30/29/89/940302989.db2.gz HKHYVDASAHEXJP-HNNXBMFYSA-N 0 3 350.399 3.871 20 30 FHEDHN C[C@@H](CCC#N)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000298790988 945312062 /nfs/dbraw/zinc/31/20/62/945312062.db2.gz YISDOCWRWLVWTH-STQMWFEESA-N 0 3 351.376 3.620 20 30 FHEDHN C=CCc1ccc(OCC(=O)N(CCN(C)C)C2CCCCC2)c(OC)c1 ZINC000511404933 940380553 /nfs/dbraw/zinc/38/05/53/940380553.db2.gz CUVYSFIHGXYWPA-UHFFFAOYSA-N 0 3 374.525 3.525 20 30 FHEDHN Cn1c2ccccc2cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1=O ZINC000580269023 940471374 /nfs/dbraw/zinc/47/13/74/940471374.db2.gz ZMKOJEPCTYSREG-OAQYLSRUSA-N 0 3 357.457 3.967 20 30 FHEDHN C[C@H](c1ccncc1)N1CCC(Nc2c(C#N)cnc3ccccc32)CC1 ZINC000581306330 940501011 /nfs/dbraw/zinc/50/10/11/940501011.db2.gz CZONTSUZQPSRTE-MRXNPFEDSA-N 0 3 357.461 3.561 20 30 FHEDHN Cc1cc(C(C#N)C(=O)c2ccnc(OCc3ccccc3)c2)nc(C)n1 ZINC000066506485 940509542 /nfs/dbraw/zinc/50/95/42/940509542.db2.gz IJCOJEWAXGJIJM-SFHVURJKSA-N 0 3 358.401 3.558 20 30 FHEDHN Cc1csc(C(C#N)C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)n1 ZINC000173899177 940685359 /nfs/dbraw/zinc/68/53/59/940685359.db2.gz VDWWHHRLENKSFO-HNNXBMFYSA-N 0 3 355.463 3.604 20 30 FHEDHN C=C(C)[C@H](NC[C@H](O)COCc1cccs1)c1ccc(F)c(F)c1 ZINC000187791552 940732687 /nfs/dbraw/zinc/73/26/87/940732687.db2.gz ZXMMXIXZMNOSRL-KSSFIOAISA-N 0 3 353.434 3.811 20 30 FHEDHN CC(C)(C)OC(=O)NCc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000310830150 940909058 /nfs/dbraw/zinc/90/90/58/940909058.db2.gz JMUKJAQMMQFMSQ-UHFFFAOYSA-N 0 3 357.479 3.934 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000376397781 940912236 /nfs/dbraw/zinc/91/22/36/940912236.db2.gz KKHHPHPGELGXHM-MRXNPFEDSA-N 0 3 373.463 3.791 20 30 FHEDHN N#Cc1c(Cl)nc(Cl)c(-n2nc(CN)c3ccccc32)c1Cl ZINC001167696621 940919169 /nfs/dbraw/zinc/91/91/69/940919169.db2.gz HCTZJYRNHDSKJW-UHFFFAOYSA-N 0 3 352.612 3.711 20 30 FHEDHN CC[C@H](C)n1ncc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)c1C ZINC000330120601 945364867 /nfs/dbraw/zinc/36/48/67/945364867.db2.gz JDLWWIWSUGOKGS-PQUAAJSLSA-N 0 3 361.534 3.904 20 30 FHEDHN CC(C)(C)OCCCCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000475046250 945367454 /nfs/dbraw/zinc/36/74/54/945367454.db2.gz JPNJEKYWQDFBRY-UHFFFAOYSA-N 0 3 366.509 3.824 20 30 FHEDHN C=CCCC1(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CCCC1 ZINC000659040791 941043552 /nfs/dbraw/zinc/04/35/52/941043552.db2.gz MXSMPERCVNSDKD-LJQANCHMSA-N 0 3 357.498 3.996 20 30 FHEDHN C=CC[C@H]1N(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CCCC1(C)C ZINC000659044424 941045155 /nfs/dbraw/zinc/04/51/55/941045155.db2.gz UFRCMMBWAGUUIN-RBUKOAKNSA-N 0 3 357.498 3.946 20 30 FHEDHN C=CC[C@H]1N(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CCCC1(C)C ZINC000659044425 941045257 /nfs/dbraw/zinc/04/52/57/941045257.db2.gz UFRCMMBWAGUUIN-RTBURBONSA-N 0 3 357.498 3.946 20 30 FHEDHN Cn1ccnc1CC1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177137629 941103360 /nfs/dbraw/zinc/10/33/60/941103360.db2.gz BIIDXWKMBYRQTD-UHFFFAOYSA-N 0 3 361.411 3.745 20 30 FHEDHN C=CCc1cc(CN2CCC[C@H](Oc3ncccc3F)C2)c(O)c(OC)c1 ZINC000782853565 941119570 /nfs/dbraw/zinc/11/95/70/941119570.db2.gz SNPXDMCNZSMEPK-KRWDZBQOSA-N 0 3 372.440 3.707 20 30 FHEDHN C[C@H]1OCC[C@H]1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000163643283 941301206 /nfs/dbraw/zinc/30/12/06/941301206.db2.gz OHAOEHTXDXJOLB-SUYBPPKGSA-N 0 3 358.488 3.897 20 30 FHEDHN N#Cc1ccc(OCCN2CCC(N3CCc4cc(F)ccc43)CC2)cc1 ZINC000549150861 941534785 /nfs/dbraw/zinc/53/47/85/941534785.db2.gz RZRQAUZHXZODPB-UHFFFAOYSA-N 0 3 365.452 3.603 20 30 FHEDHN CN(C)C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000549217572 941660825 /nfs/dbraw/zinc/66/08/25/941660825.db2.gz MBAPQYPPEIRGGF-QGZVFWFLSA-N 0 3 360.820 3.775 20 30 FHEDHN CN(C)C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000549239505 941705871 /nfs/dbraw/zinc/70/58/71/941705871.db2.gz DUIVZLHFZGSDIV-SFHVURJKSA-N 0 3 373.909 3.723 20 30 FHEDHN N#CCC1(CNCc2ccc(Br)c(Br)c2)CC1 ZINC000430029572 941993281 /nfs/dbraw/zinc/99/32/81/941993281.db2.gz XXYVTDCCWWZACC-UHFFFAOYSA-N 0 3 358.077 3.995 20 30 FHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000501837569 942085694 /nfs/dbraw/zinc/08/56/94/942085694.db2.gz RKNPNJYHFMSKJZ-KRWDZBQOSA-N 0 3 351.494 3.936 20 30 FHEDHN CN(C)[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000419412720 942258563 /nfs/dbraw/zinc/25/85/63/942258563.db2.gz JKNVJCVUMRJJGM-SFTDATJTSA-N 0 3 362.477 3.538 20 30 FHEDHN C[C@@H](CN1CCN(c2cc(C#N)ccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501080886 942299777 /nfs/dbraw/zinc/29/97/77/942299777.db2.gz ZDDCJFKYVYUTQN-HNNXBMFYSA-N 0 3 374.410 3.898 20 30 FHEDHN CN(C)CCN(CCCc1ccccc1)C(=O)CCc1ccc(C#N)cc1 ZINC000502360553 942379800 /nfs/dbraw/zinc/37/98/00/942379800.db2.gz NJYHMOUDOLDUSG-UHFFFAOYSA-N 0 3 363.505 3.514 20 30 FHEDHN CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC000425001064 942481307 /nfs/dbraw/zinc/48/13/07/942481307.db2.gz CUCBNYSRKWIGRW-RBBKRZOGSA-N 0 3 373.500 3.834 20 30 FHEDHN C[C@@H]1CN(Cc2ccccc2CNCc2ccc(C#N)c(F)c2)C[C@@H](C)O1 ZINC000421323574 942482106 /nfs/dbraw/zinc/48/21/06/942482106.db2.gz ILIFUWNRHRYNEX-IAGOWNOFSA-N 0 3 367.468 3.596 20 30 FHEDHN N#Cc1ccccc1OCCN[C@H]1CCOc2c(Br)cccc21 ZINC000501501933 942512820 /nfs/dbraw/zinc/51/28/20/942512820.db2.gz LYELCQXKSRZQFV-INIZCTEOSA-N 0 3 373.250 3.813 20 30 FHEDHN N#Cc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1Cl ZINC000501760775 942663452 /nfs/dbraw/zinc/66/34/52/942663452.db2.gz XSTIXEPUPNVRGL-UHFFFAOYSA-N 0 3 368.868 3.782 20 30 FHEDHN COc1cc(C#N)ccc1OCCN1CCC(F)(c2ccccc2)CC1 ZINC000434497590 942723482 /nfs/dbraw/zinc/72/34/82/942723482.db2.gz OFRDAKKOTZDEBY-UHFFFAOYSA-N 0 3 354.425 3.906 20 30 FHEDHN C=CCN(C(=O)N[C@@H](C)c1ccccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363823406 942762483 /nfs/dbraw/zinc/76/24/83/942762483.db2.gz NXBXJNNEUFLNLV-ICSRJNTNSA-N 0 3 364.493 3.615 20 30 FHEDHN CCOC(=O)CC1(NCc2ccc(C#N)cc2Br)CCCC1 ZINC000434618522 942805650 /nfs/dbraw/zinc/80/56/50/942805650.db2.gz XDHMEZVWDDBFNG-UHFFFAOYSA-N 0 3 365.271 3.676 20 30 FHEDHN CC1(C)CN(CCC(=O)Nc2sccc2C#N)CC[C@@H]1C(F)(F)F ZINC000190185779 942850004 /nfs/dbraw/zinc/85/00/04/942850004.db2.gz OGDQLQWUODOTHP-LBPRGKRZSA-N 0 3 359.417 3.859 20 30 FHEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCSC(C)(C)CC1 ZINC000434671981 942857176 /nfs/dbraw/zinc/85/71/76/942857176.db2.gz KZFNHRHJPQUXJU-WUJZJPHMSA-N 0 3 351.560 3.523 20 30 FHEDHN COc1ccc(NC(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)cn1 ZINC000505466891 942858474 /nfs/dbraw/zinc/85/84/74/942858474.db2.gz JGNOPHFZQGSYKC-OAHLLOKOSA-N 0 3 364.430 3.768 20 30 FHEDHN N#Cc1c(CN2CCC(c3ncc4n3CCCC4)CC2)cn2ccccc12 ZINC000434685507 942865185 /nfs/dbraw/zinc/86/51/85/942865185.db2.gz ORVAMSGNMMHUMI-UHFFFAOYSA-N 0 3 359.477 3.723 20 30 FHEDHN C=CCOc1ccccc1CN[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000509980111 942891226 /nfs/dbraw/zinc/89/12/26/942891226.db2.gz XNCVPBATYFAMTK-LJQANCHMSA-N 0 3 351.450 3.647 20 30 FHEDHN Cc1cc(C)c(C#N)c(SC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000430098486 942910340 /nfs/dbraw/zinc/91/03/40/942910340.db2.gz DCGIBMCBDHJFNW-IBGZPJMESA-N 0 3 367.518 3.953 20 30 FHEDHN COc1ccc([C@@H](CNc2ccc(Cl)c(C#N)n2)N2CCCC2)cc1 ZINC000067346550 943015495 /nfs/dbraw/zinc/01/54/95/943015495.db2.gz VHVSCCQNVAAFIJ-GOSISDBHSA-N 0 3 356.857 3.864 20 30 FHEDHN N#Cc1cccc(OCCCN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000503181020 943030466 /nfs/dbraw/zinc/03/04/66/943030466.db2.gz LDIATLDGOZCJGP-FQEVSTJZSA-N 0 3 373.460 3.949 20 30 FHEDHN N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)c1 ZINC000503181020 943030470 /nfs/dbraw/zinc/03/04/70/943030470.db2.gz LDIATLDGOZCJGP-FQEVSTJZSA-N 0 3 373.460 3.949 20 30 FHEDHN N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)c1 ZINC000503181020 943030471 /nfs/dbraw/zinc/03/04/71/943030471.db2.gz LDIATLDGOZCJGP-FQEVSTJZSA-N 0 3 373.460 3.949 20 30 FHEDHN N#Cc1cccc(C2(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC2)c1 ZINC000435037260 943104415 /nfs/dbraw/zinc/10/44/15/943104415.db2.gz XNSCZRRYYKJPCL-GOSISDBHSA-N 0 3 365.502 3.605 20 30 FHEDHN CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000503469099 943204001 /nfs/dbraw/zinc/20/40/01/943204001.db2.gz YMMFVUNESSZRKZ-SGIREYDYSA-N 0 3 363.552 3.699 20 30 FHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272710872 943206749 /nfs/dbraw/zinc/20/67/49/943206749.db2.gz KNISULMMKATADG-CABCVRRESA-N 0 3 358.511 3.710 20 30 FHEDHN C[C@@](CO)(NCc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000511606572 943367343 /nfs/dbraw/zinc/36/73/43/943367343.db2.gz WHYRCLNSYMBYPC-SFHVURJKSA-N 0 3 359.267 3.512 20 30 FHEDHN C=CC[C@H](C)NC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435538556 943474785 /nfs/dbraw/zinc/47/47/85/943474785.db2.gz WVFBAUALHCOENL-LPHOPBHVSA-N 0 3 367.497 3.725 20 30 FHEDHN CC(C)Oc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1C#N ZINC000435554774 943484148 /nfs/dbraw/zinc/48/41/48/943484148.db2.gz AWRRAPWRIIMZLY-UHFFFAOYSA-N 0 3 370.497 3.828 20 30 FHEDHN C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCN(C2CC2)C1 ZINC000515207273 943568644 /nfs/dbraw/zinc/56/86/44/943568644.db2.gz HJLYGQWIRNTNJY-QGZVFWFLSA-N 0 3 374.488 3.858 20 30 FHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000435735037 943587500 /nfs/dbraw/zinc/58/75/00/943587500.db2.gz ISSAZNGFRDQSPB-SJKOYZFVSA-N 0 3 367.280 3.645 20 30 FHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000435735728 943588862 /nfs/dbraw/zinc/58/88/62/943588862.db2.gz PNSKWAOMLGMHJN-SJCJKPOMSA-N 0 3 367.280 3.645 20 30 FHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000504521567 943653901 /nfs/dbraw/zinc/65/39/01/943653901.db2.gz MWQBZDCFVNLFKY-SFHVURJKSA-N 0 3 356.510 3.539 20 30 FHEDHN Cc1nc(NC(=O)[C@H](N)CCCC#N)sc1Cc1ccccc1Cl ZINC000424090213 943726312 /nfs/dbraw/zinc/72/63/12/943726312.db2.gz KGZIXLPUEQNWRZ-CQSZACIVSA-N 0 3 362.886 3.655 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000424109504 943734994 /nfs/dbraw/zinc/73/49/94/943734994.db2.gz BDDUDYVTODTIBJ-MOPGFXCFSA-N 0 3 355.869 3.761 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000424113934 943738491 /nfs/dbraw/zinc/73/84/91/943738491.db2.gz PDJFLTIXOBBMDC-HZPDHXFCSA-N 0 3 353.388 3.780 20 30 FHEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000424119752 943742329 /nfs/dbraw/zinc/74/23/29/943742329.db2.gz DBCBRJIVUAOWMS-FFZOFVMBSA-N 0 3 354.425 3.686 20 30 FHEDHN Cc1cccc(C)c1OC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424125094 943744144 /nfs/dbraw/zinc/74/41/44/943744144.db2.gz QFWJHLMKKCNXQA-PMACEKPBSA-N 0 3 365.477 3.561 20 30 FHEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1Cl ZINC000504883110 943882844 /nfs/dbraw/zinc/88/28/44/943882844.db2.gz SEZMZBOOBVVQOQ-GOSISDBHSA-N 0 3 368.868 3.998 20 30 FHEDHN C=CCN1CC[C@H](N(C)Cc2cccc3c(Br)cccc23)C1=O ZINC000500024215 943965204 /nfs/dbraw/zinc/96/52/04/943965204.db2.gz LACYEMWMCHEETL-SFHVURJKSA-N 0 3 373.294 3.821 20 30 FHEDHN C=CCN1CC[C@@H](N(C)Cc2cccc3c(Br)cccc23)C1=O ZINC000500024214 943965642 /nfs/dbraw/zinc/96/56/42/943965642.db2.gz LACYEMWMCHEETL-GOSISDBHSA-N 0 3 373.294 3.821 20 30 FHEDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418001312 944049553 /nfs/dbraw/zinc/04/95/53/944049553.db2.gz WWWOTBOVLFLYDS-IKGGRYGDSA-N 0 3 362.477 3.678 20 30 FHEDHN C=CCC1(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)CCOCC1 ZINC000424754142 944115569 /nfs/dbraw/zinc/11/55/69/944115569.db2.gz AYBYUJPHXQVRPW-UHFFFAOYSA-N 0 3 371.525 3.528 20 30 FHEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2ccc(NC(C)=O)cc2)c([O-])c1 ZINC000728786130 944194889 /nfs/dbraw/zinc/19/48/89/944194889.db2.gz VYMLWGPPMMSFRK-PXLXIMEGSA-N 0 3 353.466 3.858 20 30 FHEDHN N#CCCC[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1 ZINC000418218057 944277972 /nfs/dbraw/zinc/27/79/72/944277972.db2.gz QEJLXKUDZONQIM-LEWJYISDSA-N 0 3 362.477 3.608 20 30 FHEDHN C=CCC1(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CCOCC1 ZINC000425565875 944351803 /nfs/dbraw/zinc/35/18/03/944351803.db2.gz WSBHHQFYOSRARO-HXUWFJFHSA-N 0 3 358.526 3.632 20 30 FHEDHN Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000439123226 944359220 /nfs/dbraw/zinc/35/92/20/944359220.db2.gz ZPZFZRWHIFYUJA-UHFFFAOYSA-N 0 3 355.869 3.724 20 30 FHEDHN CCN(CC)[C@@H](CNC(=O)Nc1snc(C)c1C#N)c1ccsc1 ZINC000436488954 944371809 /nfs/dbraw/zinc/37/18/09/944371809.db2.gz NRQALWNEBIDGRL-AWEZNQCLSA-N 0 3 363.512 3.589 20 30 FHEDHN CC(C)[C@H](CNC(=O)C1(C#N)CCCCC1)N1CCc2ccccc2C1 ZINC000518490733 944423200 /nfs/dbraw/zinc/42/32/00/944423200.db2.gz SARVCLRDFISYKJ-FQEVSTJZSA-N 0 3 353.510 3.660 20 30 FHEDHN COc1ccc(C#N)cc1CN(CCCO)[C@H]1CCCc2ccccc21 ZINC000438327146 944512351 /nfs/dbraw/zinc/51/23/51/944512351.db2.gz XAEFBIMCWBUQRO-NRFANRHFSA-N 0 3 350.462 3.829 20 30 FHEDHN CC1(C)CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@@H]1O ZINC000438349349 944513370 /nfs/dbraw/zinc/51/33/70/944513370.db2.gz XVIUZNDYNPKVLR-NRFANRHFSA-N 0 3 350.462 3.730 20 30 FHEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000425606199 944520178 /nfs/dbraw/zinc/52/01/78/944520178.db2.gz MGVMYWSYOVYCQS-LEWJYISDSA-N 0 3 361.489 3.984 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CCC(C2CC2)CC1 ZINC001125941096 944569569 /nfs/dbraw/zinc/56/95/69/944569569.db2.gz FNBBXNGNJDGBAT-UHFFFAOYSA-N 0 3 353.510 3.665 20 30 FHEDHN Cc1cccc2c1CN(CC(=O)C(C#N)c1nc3ccccc3s1)CC2 ZINC000759878754 944705225 /nfs/dbraw/zinc/70/52/25/944705225.db2.gz HFGJWKCYJKMPKN-INIZCTEOSA-N 0 3 361.470 3.839 20 30 FHEDHN CC[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000506654896 944898117 /nfs/dbraw/zinc/89/81/17/944898117.db2.gz QSHABPAHODIRMW-KDOFPFPSSA-N 0 3 367.449 3.643 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)CC1 ZINC000432080305 945020428 /nfs/dbraw/zinc/02/04/28/945020428.db2.gz NXYIYMAGAALBDT-FQEVSTJZSA-N 0 3 353.510 3.964 20 30 FHEDHN [O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@@H]1CCCc2sc(Cl)cc21 ZINC000330226830 945412074 /nfs/dbraw/zinc/41/20/74/945412074.db2.gz UPPKPNXJBTVWPC-MWLCHTKSSA-N 0 3 350.875 3.563 20 30 FHEDHN [O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@@H]1CCCc2sc(Cl)cc21 ZINC000330226830 945412081 /nfs/dbraw/zinc/41/20/81/945412081.db2.gz UPPKPNXJBTVWPC-MWLCHTKSSA-N 0 3 350.875 3.563 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000440318865 945418473 /nfs/dbraw/zinc/41/84/73/945418473.db2.gz VRTJYUPPXZTZIL-QNGMFEMESA-N 0 3 363.590 3.632 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000440318864 945418629 /nfs/dbraw/zinc/41/86/29/945418629.db2.gz VRTJYUPPXZTZIL-MWXLCCTBSA-N 0 3 363.590 3.632 20 30 FHEDHN Cc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)c(Br)c1 ZINC000330273604 945438789 /nfs/dbraw/zinc/43/87/89/945438789.db2.gz ZLIINNDGHKPWDX-UVBJJODRSA-N 0 3 367.287 3.891 20 30 FHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCSc2ccc(F)cc2)c1 ZINC000127048321 945490037 /nfs/dbraw/zinc/49/00/37/945490037.db2.gz AXRJATLXNXUPKZ-KRWDZBQOSA-N 0 3 372.421 3.664 20 30 FHEDHN C=CCc1ccc(OC[C@@H](O)CN2CCc3c(C)cccc3C2)c(OC)c1 ZINC000729480179 945576131 /nfs/dbraw/zinc/57/61/31/945576131.db2.gz NWPHOFGPXWFLQI-FQEVSTJZSA-N 0 3 367.489 3.530 20 30 FHEDHN Cc1ccc([C@H](CN2CCOCC2)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000519735095 945698228 /nfs/dbraw/zinc/69/82/28/945698228.db2.gz OLFGMLGDBOFGFX-GOTSBHOMSA-N 0 3 361.489 3.517 20 30 FHEDHN COc1cc(CN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000440611880 945704957 /nfs/dbraw/zinc/70/49/57/945704957.db2.gz LTVTXUCFNMHXBI-HKUYNNGSSA-N 0 3 360.816 3.979 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000661100649 945729895 /nfs/dbraw/zinc/72/98/95/945729895.db2.gz FZPQCVHPGWMEGT-HPZPOOBXSA-N 0 3 371.447 3.684 20 30 FHEDHN COc1cc(CN[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)ccc1C#N ZINC000281848463 945879627 /nfs/dbraw/zinc/87/96/27/945879627.db2.gz YYRDHPAQQYYOKO-AWEZNQCLSA-N 0 3 364.449 3.702 20 30 FHEDHN C=CCC[C@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000120513184 945886615 /nfs/dbraw/zinc/88/66/15/945886615.db2.gz BHEOPPUJWPDOLL-FQEVSTJZSA-N 0 3 365.477 3.510 20 30 FHEDHN N#Cc1cccc(NC(=O)CCN2CCSC[C@H]2c2ccccc2)c1 ZINC000444160850 946004584 /nfs/dbraw/zinc/00/45/84/946004584.db2.gz XRZMBBAAFZQSOP-IBGZPJMESA-N 0 3 351.475 3.677 20 30 FHEDHN C=CCN1CCC(NC(=O)c2[nH]c(-c3ccc(Cl)cc3)nc2CC)CC1 ZINC000444183218 946040457 /nfs/dbraw/zinc/04/04/57/946040457.db2.gz NMWGBQLQLYRFBC-UHFFFAOYSA-N 0 3 372.900 3.673 20 30 FHEDHN CC(C)c1c(NC(=O)[C@@H](N)CCCCC#N)cnn1-c1ccc(Cl)cc1 ZINC000594443740 946060649 /nfs/dbraw/zinc/06/06/49/946060649.db2.gz TWGXUVJEEGSABC-INIZCTEOSA-N 0 3 373.888 3.999 20 30 FHEDHN COc1ccc(CN2CCC(O)(C3CCC3)CC2)cc1OCCCC#N ZINC000897033590 946474452 /nfs/dbraw/zinc/47/44/52/946474452.db2.gz DRVKGYSGRHMSKL-UHFFFAOYSA-N 0 3 358.482 3.505 20 30 FHEDHN C=CC1CCN(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)CC1 ZINC000520392684 946536758 /nfs/dbraw/zinc/53/67/58/946536758.db2.gz MKCNRKSFPBYNHX-HXUWFJFHSA-N 0 3 359.514 3.686 20 30 FHEDHN C#CCCOc1ccc(CNCc2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000113325441 946927970 /nfs/dbraw/zinc/92/79/70/946927970.db2.gz LMVNJGOWLRMZTI-UHFFFAOYSA-N 0 3 365.477 3.908 20 30 FHEDHN CCOC(=O)CCN(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444621157 947054163 /nfs/dbraw/zinc/05/41/63/947054163.db2.gz QZMIINGFGHFKGQ-UHFFFAOYSA-N 0 3 350.462 3.771 20 30 FHEDHN O=C(CN1CCCCCCC1=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000328861345 947070133 /nfs/dbraw/zinc/07/01/33/947070133.db2.gz ARNVKJIBVUDFOL-IBGZPJMESA-N 0 3 357.498 3.573 20 30 FHEDHN CC[C@H](CNC(=O)Nc1cccc(C#N)c1C)N1CCc2ccccc2C1 ZINC000432282355 947074051 /nfs/dbraw/zinc/07/40/51/947074051.db2.gz BYHOZBGGNCHXGL-HXUWFJFHSA-N 0 3 362.477 3.825 20 30 FHEDHN N#CC(C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1ccccn1 ZINC000049458278 947074123 /nfs/dbraw/zinc/07/41/23/947074123.db2.gz NOGAELOBUUYTBA-HNNXBMFYSA-N 0 3 367.206 3.520 20 30 FHEDHN CC[C@@H]1CCCCN1CCNC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000328879216 947079835 /nfs/dbraw/zinc/07/98/35/947079835.db2.gz JRXDRLBJCRPVAR-JKSUJKDBSA-N 0 3 365.543 3.915 20 30 FHEDHN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)c1 ZINC000328941302 947095131 /nfs/dbraw/zinc/09/51/31/947095131.db2.gz FGVKMVHYWOANGQ-MHYXUVESSA-N 0 3 360.498 3.532 20 30 FHEDHN CC1CCN(CCNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)CC1 ZINC000330904331 947308217 /nfs/dbraw/zinc/30/82/17/947308217.db2.gz CVLJMJJBARPKEX-UHFFFAOYSA-N 0 3 363.477 3.847 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000125971022 947343869 /nfs/dbraw/zinc/34/38/69/947343869.db2.gz LEVWUGQTWYEPIA-RTBURBONSA-N 0 3 355.526 3.923 20 30 FHEDHN CC(C)=CCC[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000458965927 947538132 /nfs/dbraw/zinc/53/81/32/947538132.db2.gz CITQBAQYNRIXHI-GOSISDBHSA-N 0 3 356.514 3.766 20 30 FHEDHN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cc(C#N)ccn1 ZINC001167842917 948393651 /nfs/dbraw/zinc/39/36/51/948393651.db2.gz COQNDMFJWNHBTK-FOIQADDNSA-N 0 3 358.486 3.516 20 30 FHEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@]23CCCO3)cc1Cl ZINC000544710518 948691451 /nfs/dbraw/zinc/69/14/51/948691451.db2.gz XWWLFOCLYQKBQD-QYZOEREBSA-N 0 3 351.874 3.721 20 30 FHEDHN Cc1cccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000459186578 948755260 /nfs/dbraw/zinc/75/52/60/948755260.db2.gz BXQJWUVFBLNDGV-SFHVURJKSA-N 0 3 364.493 3.701 20 30 FHEDHN N#Cc1ccccc1N1CCCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000051852254 221036502 /nfs/dbraw/zinc/03/65/02/221036502.db2.gz FTBBYKAMYPLSEG-UHFFFAOYSA-N 0 3 360.436 3.958 20 30 FHEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(Oc2ccccc2F)CC1 ZINC000601737523 567821925 /nfs/dbraw/zinc/82/19/25/567821925.db2.gz CASOJGAUQFPOFD-SFHVURJKSA-N 0 3 366.436 3.968 20 30 FHEDHN C=CCOc1ccc(C(=O)N(c2ccccc2)C2CCN(C)CC2)cc1 ZINC000601956236 567885489 /nfs/dbraw/zinc/88/54/89/567885489.db2.gz LYDSWEPFVXPCFT-UHFFFAOYSA-N 0 3 350.462 3.992 20 30 FHEDHN N#Cc1ccccc1NC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000602183924 567947803 /nfs/dbraw/zinc/94/78/03/567947803.db2.gz PRLMCYOLOWRWQX-HXUWFJFHSA-N 0 3 372.472 3.734 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(Br)c(F)c1 ZINC000602523908 567987576 /nfs/dbraw/zinc/98/75/76/567987576.db2.gz IBXCUQUNUDYDNN-GFCCVEGCSA-N 0 3 355.251 3.777 20 30 FHEDHN CC(C)N1CCN(c2cccc(N[C@H](C)CC3(C#N)CCOCC3)c2)CC1 ZINC000602494461 567986442 /nfs/dbraw/zinc/98/64/42/567986442.db2.gz YVWWKUFHWMBOQW-LJQANCHMSA-N 0 3 370.541 3.728 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cc(F)cc(Br)c1 ZINC000602519202 567986922 /nfs/dbraw/zinc/98/69/22/567986922.db2.gz VFEYTHPUAYMMSD-GFCCVEGCSA-N 0 3 355.251 3.777 20 30 FHEDHN COc1ccc(Br)cc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602545207 567990065 /nfs/dbraw/zinc/99/00/65/567990065.db2.gz VEUVXLHLHWYZLR-CYBMUJFWSA-N 0 3 367.287 3.646 20 30 FHEDHN Cc1cc(Br)ccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602549929 567990580 /nfs/dbraw/zinc/99/05/80/567990580.db2.gz FVMGKZVJAVCXNB-AWEZNQCLSA-N 0 3 351.288 3.946 20 30 FHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(COC2CCOCC2)c1 ZINC000602539949 567992834 /nfs/dbraw/zinc/99/28/34/567992834.db2.gz NNWOTADFCIDYEO-GOSISDBHSA-N 0 3 372.509 3.571 20 30 FHEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602586122 567994397 /nfs/dbraw/zinc/99/43/97/567994397.db2.gz ZMEMTQVRPGKJEB-HOTGVXAUSA-N 0 3 371.378 3.919 20 30 FHEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(OC[C@@H]2CCOC2)c1 ZINC000602575917 567996682 /nfs/dbraw/zinc/99/66/82/567996682.db2.gz KDLOGUPEJAZMJS-RBUKOAKNSA-N 0 3 372.509 3.599 20 30 FHEDHN COc1ccccc1[C@H](CN[C@H](C)CC1(C#N)CCOCC1)OC(C)C ZINC000602620626 567998564 /nfs/dbraw/zinc/99/85/64/567998564.db2.gz YOPDAZVLNIBZGL-XLIONFOSSA-N 0 3 360.498 3.850 20 30 FHEDHN Cc1ccc(Br)cc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602624409 567998963 /nfs/dbraw/zinc/99/89/63/567998963.db2.gz ASVTYLNKEIUMBL-CQSZACIVSA-N 0 3 351.288 3.946 20 30 FHEDHN CC(C)(C#N)CCCN1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602889716 568006791 /nfs/dbraw/zinc/00/67/91/568006791.db2.gz ZWUXJKUIUAHZOP-AWEZNQCLSA-N 0 3 352.276 3.627 20 30 FHEDHN Cc1c(Br)cccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602703808 568017722 /nfs/dbraw/zinc/01/77/22/568017722.db2.gz BYMRNZCSQADXIS-ZDUSSCGKSA-N 0 3 351.288 3.946 20 30 FHEDHN C=CCOc1c(Br)cc(CN[C@H](CO)CC(C)C)cc1OC ZINC000067224267 568071832 /nfs/dbraw/zinc/07/18/32/568071832.db2.gz FMQLKGXGEUQGDF-AWEZNQCLSA-N 0 3 372.303 3.519 20 30 FHEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481656070 568081595 /nfs/dbraw/zinc/08/15/95/568081595.db2.gz JPMPUEIRXNAGKA-UHFFFAOYSA-N 0 3 374.847 3.946 20 30 FHEDHN CCOC(=O)C[C@](C)(NCc1ccc(C#N)cc1Br)C(C)C ZINC000481716437 568093935 /nfs/dbraw/zinc/09/39/35/568093935.db2.gz GSUBNWFHSUAGEJ-KRWDZBQOSA-N 0 3 367.287 3.778 20 30 FHEDHN Cc1cccc(OC[C@H](O)CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481913853 568182103 /nfs/dbraw/zinc/18/21/03/568182103.db2.gz HXTQVFOHAVLYQY-DENIHFKCSA-N 0 3 350.462 3.664 20 30 FHEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000604005587 568195850 /nfs/dbraw/zinc/19/58/50/568195850.db2.gz HMCSQMPPADSUKE-CQSZACIVSA-N 0 3 353.378 3.884 20 30 FHEDHN CC(C)Oc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000541911350 568215370 /nfs/dbraw/zinc/21/53/70/568215370.db2.gz AAPHSVCSKQXBKG-UHFFFAOYSA-N 0 3 350.466 3.817 20 30 FHEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1c[nH]c2ccc(F)cc12)C(C)C ZINC000604332296 568251264 /nfs/dbraw/zinc/25/12/64/568251264.db2.gz UNIZOWOQBAUTCK-HXUWFJFHSA-N 0 3 357.473 3.664 20 30 FHEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000128758729 568259139 /nfs/dbraw/zinc/25/91/39/568259139.db2.gz WHHONWFOWYWFGQ-KRWDZBQOSA-N 0 3 363.461 3.869 20 30 FHEDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2sc(C)c(C)c2C#N)C1(CC)CC ZINC000482136369 568287497 /nfs/dbraw/zinc/28/74/97/568287497.db2.gz PICHOCDUNAEJLH-JKSUJKDBSA-N 0 3 363.527 3.749 20 30 FHEDHN CCN(CCOc1ccccc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000541991891 568313364 /nfs/dbraw/zinc/31/33/64/568313364.db2.gz FROHAYVLKPSLCI-MRXNPFEDSA-N 0 3 352.434 3.807 20 30 FHEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000050089932 568698998 /nfs/dbraw/zinc/69/89/98/568698998.db2.gz FUIBSENZRSAPRR-QAPCUYQASA-N 0 3 364.449 3.524 20 30 FHEDHN N#Cc1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164627286 719058158 /nfs/dbraw/zinc/05/81/58/719058158.db2.gz QKYHWXQRQAGPLK-HKUYNNGSSA-N 0 3 352.869 3.707 20 30 FHEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc2n[nH]cc2c1 ZINC000507241582 945067649 /nfs/dbraw/zinc/06/76/49/945067649.db2.gz ALJZTBWSQFVKHC-NEPJUHHUSA-N 0 3 367.840 3.766 20 30 FHEDHN Cc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(C)c1OC(F)F ZINC000430179416 927582406 /nfs/dbraw/zinc/58/24/06/927582406.db2.gz QMRDUCCJADKDJO-KRWDZBQOSA-N 0 3 373.403 3.825 20 30 FHEDHN C=CCCCN(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000583231312 937261136 /nfs/dbraw/zinc/26/11/36/937261136.db2.gz JTDZCDCSJQDCNO-UHFFFAOYSA-N 0 3 360.195 3.597 20 30 FHEDHN CCSc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000120505905 928694472 /nfs/dbraw/zinc/69/44/72/928694472.db2.gz LHHRIKYXTNBDGP-UHFFFAOYSA-N 0 3 367.518 3.874 20 30 FHEDHN C=CCOc1cccc(CN2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000274961286 929080203 /nfs/dbraw/zinc/08/02/03/929080203.db2.gz UKWBBQUQCROZHT-UHFFFAOYSA-N 0 3 352.482 3.559 20 30 FHEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCS[C@@H](C)C3)sc2C1 ZINC000246088415 929255012 /nfs/dbraw/zinc/25/50/12/929255012.db2.gz FPHLAZSAAWCIRY-STQMWFEESA-N 0 3 363.552 3.510 20 30 FHEDHN CS[C@@H]1CCCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000749465527 929676367 /nfs/dbraw/zinc/67/63/67/929676367.db2.gz DMYMTDMJQVXIEG-PKOBYXMFSA-N 0 3 359.539 3.848 20 30 FHEDHN Cc1ccc([C@@H]2C[C@H](C)CCN2C[C@@H](O)COc2ccc(CC#N)cc2)o1 ZINC000610372055 930177689 /nfs/dbraw/zinc/17/76/89/930177689.db2.gz XENBZRZMPQWTKP-BSIFCXSSSA-N 0 3 368.477 3.867 20 30 FHEDHN CC[C@H]1c2ccsc2CCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000070869246 930190698 /nfs/dbraw/zinc/19/06/98/930190698.db2.gz FHDIAJUFWZYEQG-LPHOPBHVSA-N 0 3 356.491 3.563 20 30 FHEDHN CC[C@@H]1c2ccsc2CCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000070869245 930190803 /nfs/dbraw/zinc/19/08/03/930190803.db2.gz FHDIAJUFWZYEQG-QFBILLFUSA-N 0 3 356.491 3.563 20 30 FHEDHN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1cc(C#N)cs1 ZINC000177709181 930229088 /nfs/dbraw/zinc/22/90/88/930229088.db2.gz OAXGTFINIQLUKL-UHFFFAOYSA-N 0 3 363.870 3.709 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)/C=C\c1ccccc1C#N)c1ccsc1 ZINC000255170373 930275642 /nfs/dbraw/zinc/27/56/42/930275642.db2.gz BXGJLTHHAYBSPT-ZBTAVZRMSA-N 0 3 353.491 3.832 20 30 FHEDHN CN(C)Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2Br)c1 ZINC000610429032 930516960 /nfs/dbraw/zinc/51/69/60/930516960.db2.gz KOJIBGCVFUPLQX-QGZVFWFLSA-N 0 3 372.266 3.505 20 30 FHEDHN N#Cc1ccc(OCCCN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000728290272 930517464 /nfs/dbraw/zinc/51/74/64/930517464.db2.gz FIOPEKYTMWMTDK-LJQANCHMSA-N 0 3 350.418 3.893 20 30 FHEDHN CCOc1ccc(N(CCC#N)C(=O)CN([C@H](C)C2CC2)C2CC2)cc1 ZINC000047909230 930669388 /nfs/dbraw/zinc/66/93/88/930669388.db2.gz CZLHZEFSDSIVTP-MRXNPFEDSA-N 0 3 355.482 3.595 20 30 FHEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000610446367 930813360 /nfs/dbraw/zinc/81/33/60/930813360.db2.gz VBNIDOBYAUWVOT-IBGZPJMESA-N 0 3 361.489 3.614 20 30 FHEDHN C[C@@H]1OCC[C@@]1(O)CN(CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000684108582 931335900 /nfs/dbraw/zinc/33/59/00/931335900.db2.gz GOIGWTFZJGWZLE-PGRDOPGGSA-N 0 3 369.892 3.734 20 30 FHEDHN CC(C)(C)[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000156880999 931667774 /nfs/dbraw/zinc/66/77/74/931667774.db2.gz FJBJWRQVBGGXJD-IBGZPJMESA-N 0 3 356.491 3.709 20 30 FHEDHN Cc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)ccc1-n1cncn1 ZINC000430586636 931964506 /nfs/dbraw/zinc/96/45/06/931964506.db2.gz WQFLUMHDTGGUBP-CQSZACIVSA-N 0 3 365.462 3.820 20 30 FHEDHN COc1ccc([C@H](C/N=C\c2cc(OC)ccc2O)N2CCCC2)cc1 ZINC000255327950 932280496 /nfs/dbraw/zinc/28/04/96/932280496.db2.gz DXHXRDUGPFXIRD-ALFKQNEGSA-N 0 3 354.450 3.665 20 30 FHEDHN COc1cc(C#N)ccc1OCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000157354481 932384041 /nfs/dbraw/zinc/38/40/41/932384041.db2.gz SXHJJJSICSKJNV-QGZVFWFLSA-N 0 3 372.490 3.688 20 30 FHEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)C1 ZINC000292928987 932629126 /nfs/dbraw/zinc/62/91/26/932629126.db2.gz YVBZGTPBKDCWSQ-UMVBOHGHSA-N 0 3 363.387 3.620 20 30 FHEDHN CC(C)(C#N)C(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001143399164 932767259 /nfs/dbraw/zinc/76/72/59/932767259.db2.gz ISIXEOQSKXYLAQ-NRFANRHFSA-N 0 3 361.489 3.839 20 30 FHEDHN COc1ccc([C@@H]2CCCN2CCOc2cccc(C#N)c2)cc1OC ZINC000051284051 932900729 /nfs/dbraw/zinc/90/07/29/932900729.db2.gz RXJILPRYRXPIDM-IBGZPJMESA-N 0 3 352.434 3.791 20 30 FHEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@@H]3Cc3ccc(F)cc3)o2)c1 ZINC000477746344 933317514 /nfs/dbraw/zinc/31/75/14/933317514.db2.gz MYZBHNOKXDUJDN-LJQANCHMSA-N 0 3 362.408 3.954 20 30 FHEDHN COC[C@H]1CCCN1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000610615539 933537403 /nfs/dbraw/zinc/53/74/03/933537403.db2.gz NIAKZYDKCLEIQA-HXUWFJFHSA-N 0 3 366.461 3.757 20 30 FHEDHN CN(C)C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000518606621 933703738 /nfs/dbraw/zinc/70/37/38/933703738.db2.gz YQVCMMQMHUYFNR-OAQYLSRUSA-N 0 3 355.457 3.901 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)NCC#Cc1cccc(F)c1)c1ccsc1 ZINC000510854390 933859151 /nfs/dbraw/zinc/85/91/51/933859151.db2.gz QAOZYGVHIDUPGV-LJQANCHMSA-N 0 3 373.497 3.621 20 30 FHEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000477872203 933907391 /nfs/dbraw/zinc/90/73/91/933907391.db2.gz GAWMZHVMUYKZPS-IAGOWNOFSA-N 0 3 350.409 3.939 20 30 FHEDHN C=CCOc1ccc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1OC ZINC000092754872 934166243 /nfs/dbraw/zinc/16/62/43/934166243.db2.gz FLNFCSOFSKOYDH-KRWDZBQOSA-N 0 3 374.525 3.633 20 30 FHEDHN C[C@@H]1C[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000610986425 934689349 /nfs/dbraw/zinc/68/93/49/934689349.db2.gz PRYNRMAGYUCYJY-DYESRHJHSA-N 0 3 374.488 3.510 20 30 FHEDHN CC(C)(C)c1ccc(C(C)(C)CN[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000535894212 934723897 /nfs/dbraw/zinc/72/38/97/934723897.db2.gz GCEQJPJUTPMNDY-HXUWFJFHSA-N 0 3 363.505 3.950 20 30 FHEDHN C[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1 ZINC000187717080 935018988 /nfs/dbraw/zinc/01/89/88/935018988.db2.gz FYJTYFGDFOLBHM-IBGZPJMESA-N 0 3 373.500 3.713 20 30 FHEDHN N#Cc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1Cl ZINC000548627022 935052501 /nfs/dbraw/zinc/05/25/01/935052501.db2.gz OMBPINRBHSJPCJ-LJQANCHMSA-N 0 3 353.853 3.779 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000178567802 935628434 /nfs/dbraw/zinc/62/84/34/935628434.db2.gz FMXSFKFANOQCQN-QGZVFWFLSA-N 0 3 362.477 3.995 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2cc(C#N)cs2)C1 ZINC000892260718 935685304 /nfs/dbraw/zinc/68/53/04/935685304.db2.gz QMBSEYKONWQTNZ-MAUKXSAKSA-N 0 3 368.506 3.597 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2cc(C#N)cs2)C1 ZINC000892260717 935685556 /nfs/dbraw/zinc/68/55/56/935685556.db2.gz QMBSEYKONWQTNZ-CRAIPNDOSA-N 0 3 368.506 3.597 20 30 FHEDHN COc1cccc([C@@H](CNc2nc3cc(Cl)ccn3c2C#N)N(C)C)c1 ZINC000582802563 936144049 /nfs/dbraw/zinc/14/40/49/936144049.db2.gz GMIQTNMUJMOORY-QGZVFWFLSA-N 0 3 369.856 3.583 20 30 FHEDHN CSc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000161805699 936304123 /nfs/dbraw/zinc/30/41/23/936304123.db2.gz JBRWDHSDQMERNG-UHFFFAOYSA-N 0 3 368.506 3.876 20 30 FHEDHN Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c(-n2cc(Cl)cn2)n1 ZINC000583722734 938376343 /nfs/dbraw/zinc/37/63/43/938376343.db2.gz KKCJGSILFWCQOH-IBGZPJMESA-N 0 3 363.852 3.878 20 30 FHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(Cl)c(F)c1 ZINC000161950474 938482151 /nfs/dbraw/zinc/48/21/51/938482151.db2.gz GORYBRLRRDBUSN-LBPRGKRZSA-N 0 3 360.772 3.839 20 30 FHEDHN C=CCOc1cccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000248082822 938535726 /nfs/dbraw/zinc/53/57/26/938535726.db2.gz SETMUAYQEUAHDW-WOJBJXKFSA-N 0 3 351.450 3.818 20 30 FHEDHN CCCN(C)[C@H](CNC(=O)N(C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000458765064 938540151 /nfs/dbraw/zinc/54/01/51/938540151.db2.gz JTGSKCXATJLMNA-QGZVFWFLSA-N 0 3 364.921 3.914 20 30 FHEDHN CN(C)[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000151472858 938552001 /nfs/dbraw/zinc/55/20/01/938552001.db2.gz UVXIWFVTIWJDFK-WOJBJXKFSA-N 0 3 350.466 3.634 20 30 FHEDHN C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC[C@@H](C2CC2)C1 ZINC000329643552 938570686 /nfs/dbraw/zinc/57/06/86/938570686.db2.gz IYBLIVNGEYOKJC-DOTOQJQBSA-N 0 3 355.482 3.912 20 30 FHEDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(C#N)ccc1Cl ZINC000506747137 945190455 /nfs/dbraw/zinc/19/04/55/945190455.db2.gz LRIFWZZDZDESPT-UHFFFAOYSA-N 0 3 359.832 3.555 20 30 FHEDHN C[C@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807506 938614672 /nfs/dbraw/zinc/61/46/72/938614672.db2.gz VQQZMZIZZJLIBT-KKSFZXQISA-N 0 3 362.477 3.680 20 30 FHEDHN CCOc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278665611 938631460 /nfs/dbraw/zinc/63/14/60/938631460.db2.gz NODHWCZFFWLBKY-UHFFFAOYSA-N 0 3 361.449 3.547 20 30 FHEDHN COc1ccc(C2=CCN(CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000052935482 938671030 /nfs/dbraw/zinc/67/10/30/938671030.db2.gz VFPKVFXZJOQETA-UHFFFAOYSA-N 0 3 367.474 3.746 20 30 FHEDHN N#Cc1cccc(OCCN2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000430918118 938943356 /nfs/dbraw/zinc/94/33/56/938943356.db2.gz GFXRQSDLVPNLKJ-QFIPXVFZSA-N 0 3 350.462 3.661 20 30 FHEDHN N#Cc1ccc(CNCCCOc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000480467902 938963104 /nfs/dbraw/zinc/96/31/04/938963104.db2.gz JZZHFCOOABQARE-UHFFFAOYSA-N 0 3 353.319 3.670 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000074877124 938972852 /nfs/dbraw/zinc/97/28/52/938972852.db2.gz NBQZAUIJYCERDI-NHCUHLMSSA-N 0 3 371.525 3.555 20 30 FHEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccoc1 ZINC000102409139 939016904 /nfs/dbraw/zinc/01/69/04/939016904.db2.gz KBOQHAXDSHGFIB-UHFFFAOYSA-N 0 3 357.479 3.942 20 30 FHEDHN COCCOc1cc(OC)ccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000190821492 939018917 /nfs/dbraw/zinc/01/89/17/939018917.db2.gz SILPUCBPCWNCBH-OAHLLOKOSA-N 0 3 374.462 3.790 20 30 FHEDHN COCCCOc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647378278 939078362 /nfs/dbraw/zinc/07/83/62/939078362.db2.gz KYPYRCDEGUJRDZ-MRXNPFEDSA-N 0 3 356.447 3.926 20 30 FHEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179479594 939171047 /nfs/dbraw/zinc/17/10/47/939171047.db2.gz VJQZADPUBOVANO-FXAWDEMLSA-N 0 3 364.449 3.524 20 30 FHEDHN CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000507462404 945250492 /nfs/dbraw/zinc/25/04/92/945250492.db2.gz DKVCZVKQLCZGGZ-UZLBHIALSA-N 0 3 365.452 3.995 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2ccc(CC)cc2)CC1 ZINC000431642259 939955715 /nfs/dbraw/zinc/95/57/15/939955715.db2.gz BCVPULUHJGXGRE-UHFFFAOYSA-N 0 3 357.542 3.866 20 30 FHEDHN N#Cc1ccc(CN2CCCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC000179839344 939976392 /nfs/dbraw/zinc/97/63/92/939976392.db2.gz IHCBPFFTEWWVCF-UHFFFAOYSA-N 0 3 371.488 3.656 20 30 FHEDHN N#C[C@@]1(NC(=O)c2cccc(CN3CCCCC3)c2)CCc2ccccc2C1 ZINC000413707725 940032965 /nfs/dbraw/zinc/03/29/65/940032965.db2.gz COJQPYOVQPQAKQ-XMMPIXPASA-N 0 3 373.500 3.854 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2ccccc21 ZINC000065930658 940079185 /nfs/dbraw/zinc/07/91/85/940079185.db2.gz WQFYTHANUJDIGV-QFIPXVFZSA-N 0 3 361.489 3.569 20 30 FHEDHN Cc1ccc(N2CCC(NCc3ccc(F)c(C#N)c3Cl)CC2)nc1 ZINC000365449766 940166050 /nfs/dbraw/zinc/16/60/50/940166050.db2.gz DQRNUQGKXCUHQF-UHFFFAOYSA-N 0 3 358.848 3.813 20 30 FHEDHN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCCC2(CCCC2)C1 ZINC000782636765 940245697 /nfs/dbraw/zinc/24/56/97/940245697.db2.gz KHIIMZSNTWRAMR-KRWDZBQOSA-N 0 3 360.461 3.880 20 30 FHEDHN Cc1ccc2nccc(N3CCN(c4oc(C5CC5)nc4C#N)CC3)c2c1 ZINC000612778476 940272012 /nfs/dbraw/zinc/27/20/12/940272012.db2.gz BPQFRPHGPFTFFT-UHFFFAOYSA-N 0 3 359.433 3.607 20 30 FHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000466920391 940299596 /nfs/dbraw/zinc/29/95/96/940299596.db2.gz PKMVALFPGGJCCB-IUODEOHRSA-N 0 3 353.919 3.582 20 30 FHEDHN C[C@@H](NCc1ccc(Br)cc1C#N)[C@@H]1COc2ccccc21 ZINC000581842240 940626622 /nfs/dbraw/zinc/62/66/22/940626622.db2.gz ABCXYLOYPYBLMF-PXAZEXFGSA-N 0 3 357.251 3.975 20 30 FHEDHN N#Cc1ccc([C@H](N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C(N)=O)cc1 ZINC000581874553 940628711 /nfs/dbraw/zinc/62/87/11/940628711.db2.gz HVWCIDHLRQCGOF-UHOSZYNNSA-N 0 3 353.853 3.664 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000173980501 940692157 /nfs/dbraw/zinc/69/21/57/940692157.db2.gz ILOFNAQTRRASPJ-UHFFFAOYSA-N 0 3 370.266 3.750 20 30 FHEDHN C[C@H](c1cccc(O)c1)N(C)CC#CCN(C)[C@H](C)c1cccc(O)c1 ZINC000472563112 940822587 /nfs/dbraw/zinc/82/25/87/940822587.db2.gz IRGKRYBNIXOLEF-QZTJIDSGSA-N 0 3 352.478 3.787 20 30 FHEDHN CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CC1 ZINC000329985701 940888518 /nfs/dbraw/zinc/88/85/18/940888518.db2.gz DNKOREAHJWMVNU-SIKLNZKXSA-N 0 3 372.509 3.573 20 30 FHEDHN COc1cc(N[C@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)cc(OC)c1 ZINC001167772101 945357363 /nfs/dbraw/zinc/35/73/63/945357363.db2.gz GGXWDWBQMFTHHN-IBGZPJMESA-N 0 3 365.477 3.960 20 30 FHEDHN CCOC(=O)c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000180317937 940958419 /nfs/dbraw/zinc/95/84/19/940958419.db2.gz XDSYUOALEDMGHF-UHFFFAOYSA-N 0 3 363.461 3.811 20 30 FHEDHN C=CCN(Cc1ccccc1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659030514 941031353 /nfs/dbraw/zinc/03/13/53/941031353.db2.gz HUBQCSJLJGCFOT-HXUWFJFHSA-N 0 3 351.450 3.568 20 30 FHEDHN C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659043294 941044222 /nfs/dbraw/zinc/04/42/22/941044222.db2.gz OCUNTRDWWXNBCS-NRFANRHFSA-N 0 3 365.477 3.958 20 30 FHEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)n1C1CCOCC1 ZINC000659115037 941084551 /nfs/dbraw/zinc/08/45/51/941084551.db2.gz NLFKHBZAHGBATP-GOSISDBHSA-N 0 3 374.444 3.890 20 30 FHEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000181295614 941120666 /nfs/dbraw/zinc/12/06/66/941120666.db2.gz GJRVPTMEDNMBPW-OAHLLOKOSA-N 0 3 354.837 3.999 20 30 FHEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000181295597 941120675 /nfs/dbraw/zinc/12/06/75/941120675.db2.gz GJRVPTMEDNMBPW-HNNXBMFYSA-N 0 3 354.837 3.999 20 30 FHEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](CC2CCC2)c2ccccc2)cc1 ZINC000181344519 941128583 /nfs/dbraw/zinc/12/85/83/941128583.db2.gz BPTFLNOXJILPKX-OAQYLSRUSA-N 0 3 368.502 3.853 20 30 FHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000177785155 941150236 /nfs/dbraw/zinc/15/02/36/941150236.db2.gz IRXSNWWLOHQAHV-ZDUSSCGKSA-N 0 3 371.403 3.596 20 30 FHEDHN CCCN(CCN(C)C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103206702 941273460 /nfs/dbraw/zinc/27/34/60/941273460.db2.gz FWLXKFCSXIUZBX-UHFFFAOYSA-N 0 3 351.450 3.764 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000178550369 941274840 /nfs/dbraw/zinc/27/48/40/941274840.db2.gz QTTWIELBCBENQS-KRWDZBQOSA-N 0 3 362.477 3.995 20 30 FHEDHN CCN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000376996241 941486459 /nfs/dbraw/zinc/48/64/59/941486459.db2.gz VKPWNZKBKKIVQL-LJQANCHMSA-N 0 3 356.514 3.622 20 30 FHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCOC[C@@H](C)C3)sc2C1 ZINC000328672507 941961435 /nfs/dbraw/zinc/96/14/35/941961435.db2.gz IFQPGKYSDUMVJE-KGLIPLIRSA-N 0 3 361.511 3.691 20 30 FHEDHN Cc1nn(-c2ccc(Br)cc2)cc1CNCC1(CC#N)CC1 ZINC000430029709 941993341 /nfs/dbraw/zinc/99/33/41/941993341.db2.gz YMQIWPVJZIUSTO-UHFFFAOYSA-N 0 3 359.271 3.727 20 30 FHEDHN N#Cc1ccc(CNC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000513560268 942016690 /nfs/dbraw/zinc/01/66/90/942016690.db2.gz MLMWTDFJRKOUER-QHCPKHFHSA-N 0 3 369.468 3.748 20 30 FHEDHN N#Cc1cccc(NC(=O)CCN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000434052956 942056815 /nfs/dbraw/zinc/05/68/15/942056815.db2.gz LZNNDPFUXVQFND-SFHVURJKSA-N 0 3 369.490 3.630 20 30 FHEDHN Cc1nccn1-c1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000183137890 942167682 /nfs/dbraw/zinc/16/76/82/942167682.db2.gz WHPCVVJHRRHDSD-JKSUJKDBSA-N 0 3 373.460 3.730 20 30 FHEDHN C=CCN1CCC(NC(=O)c2c(CC)onc2-c2ccccc2Cl)CC1 ZINC000280584417 942214376 /nfs/dbraw/zinc/21/43/76/942214376.db2.gz SHWWTKYOUHPVLY-UHFFFAOYSA-N 0 3 373.884 3.938 20 30 FHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C#N)s1 ZINC000420830417 942216684 /nfs/dbraw/zinc/21/66/84/942216684.db2.gz HZMMQWPZUNKNTB-LJQANCHMSA-N 0 3 370.522 3.576 20 30 FHEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccc(F)cc1 ZINC000041494462 942405125 /nfs/dbraw/zinc/40/51/25/942405125.db2.gz SSTVMNCWIXUNSB-OAHLLOKOSA-N 0 3 359.364 3.686 20 30 FHEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000502508654 942486012 /nfs/dbraw/zinc/48/60/12/942486012.db2.gz LBTPYALJODEVQM-ZIAGYGMSSA-N 0 3 359.214 3.961 20 30 FHEDHN N#CCNC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000549409476 942511597 /nfs/dbraw/zinc/51/15/97/942511597.db2.gz VOGHBGUPLAJHLF-KRWDZBQOSA-N 0 3 353.388 3.556 20 30 FHEDHN N#CC(C(=O)c1cc(Br)cc2ccccc21)c1ccncn1 ZINC000545447365 942569123 /nfs/dbraw/zinc/56/91/23/942569123.db2.gz NKNXPBCDBIKPDB-OAHLLOKOSA-N 0 3 352.191 3.882 20 30 FHEDHN CC(C)[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000513758530 942799466 /nfs/dbraw/zinc/79/94/66/942799466.db2.gz DDVMVHJPSHFVEN-HXUWFJFHSA-N 0 3 355.869 3.815 20 30 FHEDHN N#CC(C(=O)c1c[nH]nc1-c1ccoc1)c1nc2ccccc2n1C(F)F ZINC000434620030 942806341 /nfs/dbraw/zinc/80/63/41/942806341.db2.gz HQAQBNOTDIPTMD-LLVKDONJSA-N 0 3 367.315 3.905 20 30 FHEDHN CC1(C)CN(CCC(=O)Nc2sccc2C#N)CC[C@H]1C(F)(F)F ZINC000190185800 942849648 /nfs/dbraw/zinc/84/96/48/942849648.db2.gz OGDQLQWUODOTHP-GFCCVEGCSA-N 0 3 359.417 3.859 20 30 FHEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000273458333 942961683 /nfs/dbraw/zinc/96/16/83/942961683.db2.gz MIJVWFGMESPQKR-YLJYHZDGSA-N 0 3 374.529 3.694 20 30 FHEDHN COC[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000434790331 942969846 /nfs/dbraw/zinc/96/98/46/942969846.db2.gz SZENQOBJDIKCTR-VXKWHMMOSA-N 0 3 364.489 3.670 20 30 FHEDHN N#Cc1cccc(C2(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)CC2)c1 ZINC000435026720 943111450 /nfs/dbraw/zinc/11/14/50/943111450.db2.gz JMIADFRWBLKSHJ-JOCHJYFZSA-N 0 3 373.500 3.761 20 30 FHEDHN C[C@@H]1Cc2ccccc2CN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435126771 943181561 /nfs/dbraw/zinc/18/15/61/943181561.db2.gz QSZHHCCQCMWTAM-QGZVFWFLSA-N 0 3 357.461 3.806 20 30 FHEDHN CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000503469096 943203561 /nfs/dbraw/zinc/20/35/61/943203561.db2.gz YMMFVUNESSZRKZ-DIOULYMOSA-N 0 3 363.552 3.699 20 30 FHEDHN C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1=CCN(C)CC1 ZINC000272710884 943206946 /nfs/dbraw/zinc/20/69/46/943206946.db2.gz KNISULMMKATADG-LSDHHAIUSA-N 0 3 358.511 3.710 20 30 FHEDHN C[C@H]1CCCC[C@@H]1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001167740388 943261951 /nfs/dbraw/zinc/26/19/51/943261951.db2.gz KZEYZPUFUSLSKS-JKSUJKDBSA-N 0 3 354.454 3.755 20 30 FHEDHN COc1ccn2c(c1)ncc2C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000425305420 943265504 /nfs/dbraw/zinc/26/55/04/943265504.db2.gz AZHFOCVNPBHSGN-GFCCVEGCSA-N 0 3 354.435 3.587 20 30 FHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1CCC(C#N)CC1 ZINC000514837470 943331314 /nfs/dbraw/zinc/33/13/14/943331314.db2.gz UTUNDAGVWGYGRG-XEVCZEQESA-N 0 3 368.525 3.622 20 30 FHEDHN CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000435355661 943352713 /nfs/dbraw/zinc/35/27/13/943352713.db2.gz PKZNLFYSZXNZCD-JOCHJYFZSA-N 0 3 373.500 3.713 20 30 FHEDHN C[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000425368967 943384365 /nfs/dbraw/zinc/38/43/65/943384365.db2.gz YSQYABIYVNIHHJ-CVEARBPZSA-N 0 3 356.491 3.758 20 30 FHEDHN C=CCN1CCC(NC(=O)N2CC[C@](C)(CCc3ccccc3)C2)CC1 ZINC000435415617 943388745 /nfs/dbraw/zinc/38/87/45/943388745.db2.gz CIVFWRSFDJEUGG-QFIPXVFZSA-N 0 3 355.526 3.691 20 30 FHEDHN C=CC[C@H](C)C(=O)N1CCC[C@@]2(CCCN(Cc3scnc3C)C2)C1 ZINC001269961527 943415198 /nfs/dbraw/zinc/41/51/98/943415198.db2.gz ZHYRRXBLXKZVBU-OXJNMPFZSA-N 0 3 361.555 3.868 20 30 FHEDHN Cc1oc(C#N)cc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000435680242 943541728 /nfs/dbraw/zinc/54/17/28/943541728.db2.gz CFUVHVZCMNLFPC-UHFFFAOYSA-N 0 3 371.868 3.851 20 30 FHEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000515230500 943572999 /nfs/dbraw/zinc/57/29/99/943572999.db2.gz OHOCPFOREHMQER-QGZVFWFLSA-N 0 3 354.841 3.608 20 30 FHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000435735729 943588761 /nfs/dbraw/zinc/58/87/61/943588761.db2.gz PNSKWAOMLGMHJN-SJKOYZFVSA-N 0 3 367.280 3.645 20 30 FHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435742692 943592637 /nfs/dbraw/zinc/59/26/37/943592637.db2.gz WRNNEIOHKBEUFV-RHSMWYFYSA-N 0 3 359.451 3.789 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000424084369 943721015 /nfs/dbraw/zinc/72/10/15/943721015.db2.gz YDZRIYYHSYJTHH-MRXNPFEDSA-N 0 3 364.474 3.847 20 30 FHEDHN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424127090 943746185 /nfs/dbraw/zinc/74/61/85/943746185.db2.gz AGFDXNQVLDMOTI-INIZCTEOSA-N 0 3 367.497 3.746 20 30 FHEDHN N#CCCC[C@H](N)C(=O)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC000424128433 943746307 /nfs/dbraw/zinc/74/63/07/943746307.db2.gz RCHXXJGZFYTHAG-IBGZPJMESA-N 0 3 371.481 3.972 20 30 FHEDHN N#CCCC[C@H](N)C(=O)NCc1ccccc1COc1ccccc1Cl ZINC000424127944 943746744 /nfs/dbraw/zinc/74/67/44/943746744.db2.gz QGGXUDQQRQRERL-SFHVURJKSA-N 0 3 371.868 3.556 20 30 FHEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000424148224 943751627 /nfs/dbraw/zinc/75/16/27/943751627.db2.gz ZMUYDLSBRJVZGY-JBACZVJFSA-N 0 3 350.462 3.856 20 30 FHEDHN COc1ccc([C@H](NC(=O)[C@H](N)CCCC#N)c2ccccc2Cl)cc1 ZINC000424130582 943756808 /nfs/dbraw/zinc/75/68/08/943756808.db2.gz UAJURJRPNFXLRN-MOPGFXCFSA-N 0 3 371.868 3.575 20 30 FHEDHN CC(C)c1c(NC(=O)[C@H](N)CCCC#N)cnn1-c1ccc(Cl)cc1 ZINC000424164674 943770131 /nfs/dbraw/zinc/77/01/31/943770131.db2.gz CPBKXLOTULETIS-OAHLLOKOSA-N 0 3 359.861 3.609 20 30 FHEDHN N#Cc1c(F)cc(CNC(=O)c2cccc(CN3CCCCC3)c2)cc1F ZINC000515310180 943775096 /nfs/dbraw/zinc/77/50/96/943775096.db2.gz PDSHDPNDRARCNE-UHFFFAOYSA-N 0 3 369.415 3.752 20 30 FHEDHN N#Cc1ccc(CCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000032762295 943854747 /nfs/dbraw/zinc/85/47/47/943854747.db2.gz FNTMYUIACNFVQF-GOSISDBHSA-N 0 3 353.491 3.506 20 30 FHEDHN Cc1ccc([C@H](CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000425442402 943930046 /nfs/dbraw/zinc/93/00/46/943930046.db2.gz JRYBXBCOOYDFEH-UTKZUKDTSA-N 0 3 364.493 3.872 20 30 FHEDHN CN(C)[C@@H](CNc1nc2cc(Cl)ccn2c1C#N)c1ccc(F)cc1 ZINC000517047408 943950401 /nfs/dbraw/zinc/95/04/01/943950401.db2.gz VHUIORIAQZXDFG-INIZCTEOSA-N 0 3 357.820 3.713 20 30 FHEDHN C[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)N(C)Cc1ccccc1 ZINC000511640770 943959937 /nfs/dbraw/zinc/95/99/37/943959937.db2.gz OTPBSINZMWIDEC-INIZCTEOSA-N 0 3 367.468 3.612 20 30 FHEDHN CC[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000436101849 944016811 /nfs/dbraw/zinc/01/68/11/944016811.db2.gz MLPQFJZBMLJSJO-JOCHJYFZSA-N 0 3 373.500 3.543 20 30 FHEDHN C=CCC1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCOCC1 ZINC000424644255 944030893 /nfs/dbraw/zinc/03/08/93/944030893.db2.gz RNNDCLAFVPCMEE-UHFFFAOYSA-N 0 3 370.537 3.526 20 30 FHEDHN C[C@@H]1CC[C@@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2sccc21 ZINC000515599134 944036417 /nfs/dbraw/zinc/03/64/17/944036417.db2.gz HWPVZRMTVRNWON-ZMYBRWDISA-N 0 3 365.502 3.949 20 30 FHEDHN C=C(C)C(C)(C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000424683705 944046066 /nfs/dbraw/zinc/04/60/66/944046066.db2.gz QUPJATKLBUXAHM-UHFFFAOYSA-N 0 3 364.917 3.902 20 30 FHEDHN Cc1oc(NC(=O)CN[C@@H]2CCCC[C@H]2OCCC(C)C)c(C#N)c1C ZINC000436249606 944134764 /nfs/dbraw/zinc/13/47/64/944134764.db2.gz AFLQBJIOISMMBB-QZTJIDSGSA-N 0 3 361.486 3.670 20 30 FHEDHN CCOC(=O)COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418137001 944191068 /nfs/dbraw/zinc/19/10/68/944191068.db2.gz BJBYWRQWRVPVDP-OAQYLSRUSA-N 0 3 364.445 3.667 20 30 FHEDHN N#Cc1cccc(C#N)c1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000436385760 944255041 /nfs/dbraw/zinc/25/50/41/944255041.db2.gz OKQNNPVUMIHIMR-UHFFFAOYSA-N 0 3 364.424 3.524 20 30 FHEDHN Cc1ccc(C[C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000500236681 944317090 /nfs/dbraw/zinc/31/70/90/944317090.db2.gz BMZIYYFHHYLUSN-QFIPXVFZSA-N 0 3 361.489 3.949 20 30 FHEDHN CC(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c([O-])c1 ZINC000436540201 944418784 /nfs/dbraw/zinc/41/87/84/944418784.db2.gz OKCRFXZFPHEHTK-UHFFFAOYSA-N 0 3 365.477 3.591 20 30 FHEDHN N#CCOc1cccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000048514151 944446223 /nfs/dbraw/zinc/44/62/23/944446223.db2.gz LTIBJIBVSVVNMK-FQEVSTJZSA-N 0 3 364.449 3.548 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2OCC(F)(F)F)CC1 ZINC000518513531 944458331 /nfs/dbraw/zinc/45/83/31/944458331.db2.gz CRMXMKHSXFOWMT-UHFFFAOYSA-N 0 3 371.403 3.790 20 30 FHEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759842864 944531514 /nfs/dbraw/zinc/53/15/14/944531514.db2.gz DXIYNMWIRUWWSN-LJQANCHMSA-N 0 3 362.832 3.533 20 30 FHEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCc4cc(Cl)ccc43)C2=O)cc1 ZINC000506217568 944552367 /nfs/dbraw/zinc/55/23/67/944552367.db2.gz JKVYSMBURWXTGC-UXHICEINSA-N 0 3 365.864 3.984 20 30 FHEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1cc(C#N)ccc1Cl ZINC000425614963 944557145 /nfs/dbraw/zinc/55/71/45/944557145.db2.gz YKBWTUKDSOCNAK-INIZCTEOSA-N 0 3 353.853 3.735 20 30 FHEDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1CC ZINC001125941756 944585485 /nfs/dbraw/zinc/58/54/85/944585485.db2.gz KAOYFKMNDSXXLN-UHFFFAOYSA-N 0 3 363.505 3.887 20 30 FHEDHN C=CCCN(C)Cc1cc(C)cc(Br)c1OCC(=O)OCC ZINC000467370348 944626925 /nfs/dbraw/zinc/62/69/25/944626925.db2.gz PQXXZUYJVBUNJP-UHFFFAOYSA-N 0 3 370.287 3.707 20 30 FHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(OCC(C)C)cc2)n1 ZINC000516346386 944752944 /nfs/dbraw/zinc/75/29/44/944752944.db2.gz HSYSJLVQDLSCTG-HNNXBMFYSA-N 0 3 372.446 3.845 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000425643633 944756358 /nfs/dbraw/zinc/75/63/58/944756358.db2.gz IXUVLXSIERGAIB-UZLBHIALSA-N 0 3 350.466 3.564 20 30 FHEDHN CCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000140367429 944847066 /nfs/dbraw/zinc/84/70/66/944847066.db2.gz CPETWJQCCVYKSS-JTQLQIEISA-N 0 3 365.817 3.768 20 30 FHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000120720191 944854169 /nfs/dbraw/zinc/85/41/69/944854169.db2.gz JEAODROIALETHV-UHFFFAOYSA-N 0 3 354.450 3.996 20 30 FHEDHN N#Cc1c(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cccc1C(F)F ZINC000517960936 944875981 /nfs/dbraw/zinc/87/59/81/944875981.db2.gz LSBHTFIXALZUOR-HOTGVXAUSA-N 0 3 357.404 3.543 20 30 FHEDHN CC(C)(C)[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000507023777 944890709 /nfs/dbraw/zinc/89/07/09/944890709.db2.gz ZOQHEYUTZDNHGZ-HXUWFJFHSA-N 0 3 353.441 3.691 20 30 FHEDHN C=CCOc1c(Br)cc(CN(CCOC)C2CC2)cc1OC ZINC000507160326 944994104 /nfs/dbraw/zinc/99/41/04/944994104.db2.gz LNKPPAOMZWZQAA-UHFFFAOYSA-N 0 3 370.287 3.633 20 30 FHEDHN COC(=O)c1cc2c(o1)c(OC)ccc2CN(C)Cc1cccc(C#N)c1 ZINC000507206017 945030222 /nfs/dbraw/zinc/03/02/22/945030222.db2.gz YHGUUWHLKCVUFH-UHFFFAOYSA-N 0 3 364.401 3.732 20 30 FHEDHN CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000426152578 945030932 /nfs/dbraw/zinc/03/09/32/945030932.db2.gz HHQQLQXDWVVZGX-KRWDZBQOSA-N 0 3 368.868 3.950 20 30 FHEDHN CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000426157291 945033269 /nfs/dbraw/zinc/03/32/69/945033269.db2.gz SBEADYLEAYPIGY-MRXNPFEDSA-N 0 3 356.857 3.506 20 30 FHEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)CN1Cc1ccccc1 ZINC000426167269 945050719 /nfs/dbraw/zinc/05/07/19/945050719.db2.gz SGPLRHWGPAANMD-RHSMWYFYSA-N 0 3 368.868 3.996 20 30 FHEDHN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000330216451 945406369 /nfs/dbraw/zinc/40/63/69/945406369.db2.gz HUNOBKYHPNADSN-YLVFBTJISA-N 0 3 352.862 3.791 20 30 FHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000330218946 945407647 /nfs/dbraw/zinc/40/76/47/945407647.db2.gz PAFTZTSDDZXSFF-RLLQIKCJSA-N 0 3 371.525 3.817 20 30 FHEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccccc1Br ZINC000330258636 945429381 /nfs/dbraw/zinc/42/93/81/945429381.db2.gz MQJPCSISNARLHJ-LKTVYLICSA-N 0 3 353.260 3.583 20 30 FHEDHN N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3[C@@H]3CCCC[C@H]3O)o2)cc1 ZINC000281065632 945515069 /nfs/dbraw/zinc/51/50/69/945515069.db2.gz SKSKANINAHRDNE-IPMKNSEASA-N 0 3 366.465 3.514 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(-c3ccnn3C)ccc2C)CC1 ZINC000281304188 945584033 /nfs/dbraw/zinc/58/40/33/945584033.db2.gz HEXXVAIRIDOMNA-UHFFFAOYSA-N 0 3 367.497 3.558 20 30 FHEDHN N#Cc1ccc(CNCCc2cnc(SC3CCCC3)nc2)c(F)c1 ZINC000550309581 945613521 /nfs/dbraw/zinc/61/35/21/945613521.db2.gz DHRVDKZIGPPWMQ-UHFFFAOYSA-N 0 3 356.470 3.854 20 30 FHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000661115813 945738652 /nfs/dbraw/zinc/73/86/52/945738652.db2.gz FDSGCRKSZNAWRK-ZBFHGGJFSA-N 0 3 362.495 3.846 20 30 FHEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000661116509 945748788 /nfs/dbraw/zinc/74/87/88/945748788.db2.gz YQMOAXHIAKJZJR-YJBOKZPZSA-N 0 3 363.465 3.746 20 30 FHEDHN N#CC(=C([O-])c1cccnc1OCC(F)F)c1ccc2ccccc2n1 ZINC000093243630 945940991 /nfs/dbraw/zinc/94/09/91/945940991.db2.gz CXJHAMFLSTUISP-CQSZACIVSA-N 0 3 353.328 3.764 20 30 FHEDHN N#CC(C(=O)c1cccnc1OCC(F)F)c1ccc2ccccc2n1 ZINC000093243630 945940996 /nfs/dbraw/zinc/94/09/96/945940996.db2.gz CXJHAMFLSTUISP-CQSZACIVSA-N 0 3 353.328 3.764 20 30 FHEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000661419516 946089098 /nfs/dbraw/zinc/08/90/98/946089098.db2.gz RJWVXWSCOLERFR-NHCUHLMSSA-N 0 3 370.541 3.728 20 30 FHEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103165180 946227202 /nfs/dbraw/zinc/22/72/02/946227202.db2.gz UMXYUACIGUCOGN-HZPDHXFCSA-N 0 3 356.441 3.746 20 30 FHEDHN CC(C)CN(Cc1ccccc1F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000520172445 946227304 /nfs/dbraw/zinc/22/73/04/946227304.db2.gz IJNMRGHALMDNSH-LJQANCHMSA-N 0 3 356.441 3.595 20 30 FHEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103165176 946227477 /nfs/dbraw/zinc/22/74/77/946227477.db2.gz UMXYUACIGUCOGN-CVEARBPZSA-N 0 3 356.441 3.746 20 30 FHEDHN C[C@H]1[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCN1Cc1ccccc1 ZINC000520274163 946329119 /nfs/dbraw/zinc/32/91/19/946329119.db2.gz AFZFMIZFZOKLCW-LAUBAEHRSA-N 0 3 361.489 3.881 20 30 FHEDHN Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000441371807 946522249 /nfs/dbraw/zinc/52/22/49/946522249.db2.gz ALDUTUBMPSCPJL-YADHBBJMSA-N 0 3 361.489 3.751 20 30 FHEDHN C=CC1CCN(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)CC1 ZINC000520392683 946536930 /nfs/dbraw/zinc/53/69/30/946536930.db2.gz MKCNRKSFPBYNHX-FQEVSTJZSA-N 0 3 359.514 3.686 20 30 FHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCOc2cccc(F)c2)cc1 ZINC000125539691 946539755 /nfs/dbraw/zinc/53/97/55/946539755.db2.gz IJOUQMZHFVSUIE-IBGZPJMESA-N 0 3 368.408 3.895 20 30 FHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000532584857 946556757 /nfs/dbraw/zinc/55/67/57/946556757.db2.gz ZJWOERBWXWORSG-CTNGQTDRSA-N 0 3 361.489 3.886 20 30 FHEDHN CC(C)N(CCN(C)C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000151944446 946669941 /nfs/dbraw/zinc/66/99/41/946669941.db2.gz FIHJPMCKBHSMFV-UHFFFAOYSA-N 0 3 365.477 3.549 20 30 FHEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1N1CCOCC1 ZINC000596979804 946683896 /nfs/dbraw/zinc/68/38/96/946683896.db2.gz IGLCEVFIYFLKJL-UHFFFAOYSA-N 0 3 361.489 3.710 20 30 FHEDHN N#CCc1cccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000840824645 946773253 /nfs/dbraw/zinc/77/32/53/946773253.db2.gz YMQJBYFMGNTKSC-UHFFFAOYSA-N 0 3 364.518 3.704 20 30 FHEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000188444933 946780422 /nfs/dbraw/zinc/78/04/22/946780422.db2.gz UUBUDQSQCLMRKC-FQEVSTJZSA-N 0 3 364.917 3.902 20 30 FHEDHN Cc1oc(C#N)cc1C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894988268 946826155 /nfs/dbraw/zinc/82/61/55/946826155.db2.gz ZAAJXEOXMFUZAJ-UHFFFAOYSA-N 0 3 351.328 3.792 20 30 FHEDHN CCc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)N(C)C)cc1 ZINC000049799187 946845657 /nfs/dbraw/zinc/84/56/57/946845657.db2.gz BOLSNEFAOLRMIE-NRFANRHFSA-N 0 3 364.493 3.565 20 30 FHEDHN N#C[C@@H](c1ccccc1)N1CCN(CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001167785194 946928484 /nfs/dbraw/zinc/92/84/84/946928484.db2.gz RROCHDHJGHMQRR-SFTDATJTSA-N 0 3 353.510 3.608 20 30 FHEDHN C[C@H](NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000125608397 946942648 /nfs/dbraw/zinc/94/26/48/946942648.db2.gz LDCRIOQJYQDPSB-FIKGOQFSSA-N 0 3 362.477 3.581 20 30 FHEDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1coc(C2CCOCC2)n1 ZINC000328805098 947028817 /nfs/dbraw/zinc/02/88/17/947028817.db2.gz NCKPXFSCTWPWON-UHFFFAOYSA-N 0 3 369.465 3.538 20 30 FHEDHN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328816595 947035221 /nfs/dbraw/zinc/03/52/21/947035221.db2.gz NXBAXFGRXHABBC-SKBHOOIQSA-N 0 3 368.477 3.678 20 30 FHEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@@H](C2CCOCC2)C1 ZINC000328789935 947048592 /nfs/dbraw/zinc/04/85/92/947048592.db2.gz QBSSHZYASDIJFW-DOTOQJQBSA-N 0 3 374.481 3.573 20 30 FHEDHN O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCCN1C1CCCC1 ZINC000328860660 947070548 /nfs/dbraw/zinc/07/05/48/947070548.db2.gz AKPGSDZDQYZGEV-MJGOQNOKSA-N 0 3 373.472 3.685 20 30 FHEDHN Cn1cc([C@@H]2CCCN2CCC(=O)N[C@H]2CCCc3ccccc32)cn1 ZINC000328936119 947092217 /nfs/dbraw/zinc/09/22/17/947092217.db2.gz JJJFRQVIMORBJW-PMACEKPBSA-N 0 3 352.482 3.981 20 30 FHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000444745891 947182455 /nfs/dbraw/zinc/18/24/55/947182455.db2.gz UAXMZZNRLXTJNF-AHIWAGSCSA-N 0 3 366.303 3.543 20 30 FHEDHN C=CCN1CCC(Nc2nc(C)nc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000301173179 947215900 /nfs/dbraw/zinc/21/59/00/947215900.db2.gz KSKLWUMNEAHQPS-UHFFFAOYSA-N 0 3 374.510 3.547 20 30 FHEDHN C=CC[C@H]1N(Cc2cccc(S(=O)(=O)N(C)C)c2)CCCC1(C)C ZINC000444794456 947232754 /nfs/dbraw/zinc/23/27/54/947232754.db2.gz VXDDGLNFJZYWND-GOSISDBHSA-N 0 3 350.528 3.504 20 30 FHEDHN C[C@@H]1CC[C@@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000249119070 947321374 /nfs/dbraw/zinc/32/13/74/947321374.db2.gz WRFHYFOGAKDQML-HVETUWLQSA-N 0 3 359.473 3.887 20 30 FHEDHN N#Cc1ccc2ncc(CNCc3cccc(COCC(F)(F)F)c3)n2c1 ZINC000120908218 947419372 /nfs/dbraw/zinc/41/93/72/947419372.db2.gz IHNRDLWRDWPXFW-UHFFFAOYSA-N 0 3 374.366 3.575 20 30 FHEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000523623611 947453525 /nfs/dbraw/zinc/45/35/25/947453525.db2.gz PKMDGOSWWVLGRE-VQIMIIECSA-N 0 3 357.498 3.688 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)c2cccc(-c3nc(C)cs3)c2)CC1 ZINC000121534617 947600270 /nfs/dbraw/zinc/60/02/70/947600270.db2.gz KJGQDXJWRGXIKB-UHFFFAOYSA-N 0 3 355.507 3.889 20 30 FHEDHN Cc1cc(C#N)cc(C)c1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001126244306 947844672 /nfs/dbraw/zinc/84/46/72/947844672.db2.gz QTNMIFOPKLRZQE-LJQANCHMSA-N 0 3 361.489 3.912 20 30 FHEDHN CC[C@H](C)[C@H](NC(C)=O)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000796810591 948050868 /nfs/dbraw/zinc/05/08/68/948050868.db2.gz HCDNUUCXCLVGCC-UAKXVISKSA-N 0 3 363.870 3.677 20 30 FHEDHN CN(C)C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(Cl)cc1 ZINC000549616345 948068417 /nfs/dbraw/zinc/06/84/17/948068417.db2.gz LXMCXNWHDIPBHC-IBGZPJMESA-N 0 3 367.880 3.928 20 30 FHEDHN CN(C)C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(Cl)cc1 ZINC000549616346 948068671 /nfs/dbraw/zinc/06/86/71/948068671.db2.gz LXMCXNWHDIPBHC-LJQANCHMSA-N 0 3 367.880 3.928 20 30 FHEDHN Cc1cc(C#N)cc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000585702419 948210162 /nfs/dbraw/zinc/21/01/62/948210162.db2.gz GEALFYVQPZWANB-UHFFFAOYSA-N 0 3 374.410 3.993 20 30 FHEDHN N#Cc1ccc2ncc(CN[C@@H](CN3CCCCC3)c3ccccc3)n2c1 ZINC000585766872 948277682 /nfs/dbraw/zinc/27/76/82/948277682.db2.gz NAIPASGTESWSFH-NRFANRHFSA-N 0 3 359.477 3.523 20 30 FHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H]2CSC[C@@H]2C)c1C#N ZINC000512164634 948595437 /nfs/dbraw/zinc/59/54/37/948595437.db2.gz OMCCBTXKIJRNBW-UGSOOPFHSA-N 0 3 374.554 3.761 20 30 FHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(Cc2ccccc2OC)CC1 ZINC000524002629 948756619 /nfs/dbraw/zinc/75/66/19/948756619.db2.gz RHIGHTZELZAJRK-SFHVURJKSA-N 0 3 358.526 3.763 20 30 FHEDHN C=CCOc1cccc(NC(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000056772257 221082201 /nfs/dbraw/zinc/08/22/01/221082201.db2.gz JQTAAEBRPBZROI-UHFFFAOYSA-N 0 3 353.466 3.847 20 30 FHEDHN N#Cc1ccc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)nc1 ZINC000115675239 132374496 /nfs/dbraw/zinc/37/44/96/132374496.db2.gz NUFDEYRZJXUXPC-UHFFFAOYSA-N 0 3 352.441 3.845 20 30 FHEDHN Cc1cccc(N(CCC#N)C(=O)CNc2cccc(CN(C)C)c2)c1C ZINC000601930004 567878782 /nfs/dbraw/zinc/87/87/82/567878782.db2.gz CRALKIJSAVMDBK-UHFFFAOYSA-N 0 3 364.493 3.724 20 30 FHEDHN CSc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Br ZINC000602528458 567988014 /nfs/dbraw/zinc/98/80/14/567988014.db2.gz BPTZTYXVPMPJFA-LBPRGKRZSA-N 0 3 356.289 3.521 20 30 FHEDHN CC(C)(c1csc(NC(=O)[C@@H](N)CCCCC#N)n1)c1ccccc1 ZINC000602578177 567993405 /nfs/dbraw/zinc/99/34/05/567993405.db2.gz KOSBEHCPRYDZQJ-HNNXBMFYSA-N 0 3 356.495 3.819 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccnc(OCc2ccccc2)c1 ZINC000602590004 567994848 /nfs/dbraw/zinc/99/48/48/567994848.db2.gz BDXTUTOZYQDWAJ-SFHVURJKSA-N 0 3 365.477 3.849 20 30 FHEDHN C[C@H](CCC#N)CN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000602598333 568000125 /nfs/dbraw/zinc/00/01/25/568000125.db2.gz HLMYNVXRCGETPB-SJLPKXTDSA-N 0 3 365.481 3.781 20 30 FHEDHN CCn1c(CNC2CCC(C#N)CC2)nc2cc(Br)ccc21 ZINC000602629446 568007483 /nfs/dbraw/zinc/00/74/83/568007483.db2.gz HBKRNZJTHVSSGG-UHFFFAOYSA-N 0 3 361.287 3.991 20 30 FHEDHN COc1cc(C#N)ccc1OCCN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481530654 568010931 /nfs/dbraw/zinc/01/09/31/568010931.db2.gz SKYHKVLRESRGTM-VLIAUNLRSA-N 0 3 374.868 3.965 20 30 FHEDHN Cc1csc(CC2(O)CCN(Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000602894750 568013999 /nfs/dbraw/zinc/01/39/99/568013999.db2.gz YJLHJNDUCYOAJU-UHFFFAOYSA-N 0 3 369.534 3.822 20 30 FHEDHN Cn1nc(C(=O)OC(C)(C)C)cc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000602668741 568014413 /nfs/dbraw/zinc/01/44/13/568014413.db2.gz FPXRZJNLXWWWQC-SFHVURJKSA-N 0 3 368.481 3.900 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000602718338 568014910 /nfs/dbraw/zinc/01/49/10/568014910.db2.gz VVSADPJBYAQPAX-RXVVDRJESA-N 0 3 372.509 3.571 20 30 FHEDHN Cc1ccc(C[C@@H]2CCCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000568548317 568050356 /nfs/dbraw/zinc/05/03/56/568050356.db2.gz ZUWWSXARPNQYHY-GMAHTHKFSA-N 0 3 373.500 3.927 20 30 FHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(Br)cc1OCCCO ZINC000602836795 568050529 /nfs/dbraw/zinc/05/05/29/568050529.db2.gz JCJHHAAIECEUGA-ZDUSSCGKSA-N 0 3 367.287 3.555 20 30 FHEDHN CCN(Cc1ccccc1)C(=O)CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000481650440 568080217 /nfs/dbraw/zinc/08/02/17/568080217.db2.gz NSFBWVKDUIMJMP-QFIPXVFZSA-N 0 3 361.489 3.964 20 30 FHEDHN Cc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000603464515 568105365 /nfs/dbraw/zinc/10/53/65/568105365.db2.gz WAXQEXKKMTXJHY-IRLDBZIGSA-N 0 3 350.462 3.638 20 30 FHEDHN CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000603658117 568134139 /nfs/dbraw/zinc/13/41/39/568134139.db2.gz LWIPMTUANJRGQB-HXUWFJFHSA-N 0 3 362.477 3.884 20 30 FHEDHN Cc1ccc(C(=O)NCCN[C@@H]2CCCCc3cc(C#N)ccc32)cc1F ZINC000481914143 568182086 /nfs/dbraw/zinc/18/20/86/568182086.db2.gz RNDWMVSNEMQAHK-OAQYLSRUSA-N 0 3 365.452 3.793 20 30 FHEDHN CCS(=O)(=O)c1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481987866 568215722 /nfs/dbraw/zinc/21/57/22/568215722.db2.gz CRPIFJIWAWELDO-OAQYLSRUSA-N 0 3 368.502 3.909 20 30 FHEDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000569000700 568266097 /nfs/dbraw/zinc/26/60/97/568266097.db2.gz MZLQGOUWMJYURA-IAQYHMDHSA-N 0 3 352.251 3.523 20 30 FHEDHN CC(C)N(Cc1cccc(F)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604416472 568274651 /nfs/dbraw/zinc/27/46/51/568274651.db2.gz SGZQMNNEIBKVSN-HXUWFJFHSA-N 0 3 356.441 3.542 20 30 FHEDHN C[C@H](CNc1ccc(C#N)c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000303434946 568277994 /nfs/dbraw/zinc/27/79/94/568277994.db2.gz GQUBBWGLSFCEOE-MRXNPFEDSA-N 0 3 354.885 3.834 20 30 FHEDHN Cc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)cc1C ZINC000604436924 568293076 /nfs/dbraw/zinc/29/30/76/568293076.db2.gz VELHNMJMEAINSN-GGAORHGYSA-N 0 3 364.489 3.946 20 30 FHEDHN C[C@H]1CSc2ccccc2CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000365305683 568466328 /nfs/dbraw/zinc/46/63/28/568466328.db2.gz LKKBRNRPXGWLLF-KXBFYZLASA-N 0 3 361.470 3.764 20 30 FHEDHN C[C@H](NC[C@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000324151078 568730365 /nfs/dbraw/zinc/73/03/65/568730365.db2.gz BOHCGOYEDSYXCM-WFASDCNBSA-N 0 3 365.260 3.956 20 30 FHEDHN N#CCc1ccnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164994414 722204855 /nfs/dbraw/zinc/20/48/55/722204855.db2.gz GIKMRWAARGCONX-OAQYLSRUSA-N 0 3 350.441 3.532 20 30 FHEDHN C=CCOc1ccccc1CN[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000161486083 936357959 /nfs/dbraw/zinc/35/79/59/936357959.db2.gz LXSVHRHTIKGAHT-AWEZNQCLSA-N 0 3 359.857 3.807 20 30 FHEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CC[C@H](C)c1ccccc1 ZINC000160178535 927105755 /nfs/dbraw/zinc/10/57/55/927105755.db2.gz OAKIRUHIDWMNOW-RDJZCZTQSA-N 0 3 350.418 3.926 20 30 FHEDHN CC(C)COc1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430190304 927717295 /nfs/dbraw/zinc/71/72/95/927717295.db2.gz XEYQRRRQAJBVLS-FQEVSTJZSA-N 0 3 351.450 3.641 20 30 FHEDHN COc1ccc(O)c(/C=N\C[C@H](c2ccccc2OC)N2CCCC2)c1 ZINC000255001534 928853008 /nfs/dbraw/zinc/85/30/08/928853008.db2.gz UWBZDHNKMKEKGI-HBEGMLAUSA-N 0 3 354.450 3.665 20 30 FHEDHN C=CCC(CC=C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000150860591 937292627 /nfs/dbraw/zinc/29/26/27/937292627.db2.gz RAUFVJNOLJUJND-FQEVSTJZSA-N 0 3 369.509 3.560 20 30 FHEDHN C=CCN1CCC(NC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000179807465 929068613 /nfs/dbraw/zinc/06/86/13/929068613.db2.gz ORHKGHBFGIRSRC-UYAOXDASSA-N 0 3 350.547 3.909 20 30 FHEDHN C=CCN1CCC(NC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)CC1 ZINC000179807482 929068757 /nfs/dbraw/zinc/06/87/57/929068757.db2.gz ORHKGHBFGIRSRC-AZUAARDMSA-N 0 3 350.547 3.909 20 30 FHEDHN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)N1CCCC1 ZINC000165092747 929116631 /nfs/dbraw/zinc/11/66/31/929116631.db2.gz NGXZNOAJQNVRAF-LJQANCHMSA-N 0 3 366.421 3.724 20 30 FHEDHN N#Cc1cccc(C2(NCCOc3cccc(Br)c3)CC2)c1 ZINC000583336784 937356421 /nfs/dbraw/zinc/35/64/21/937356421.db2.gz BKUSYVFNWHHXIA-UHFFFAOYSA-N 0 3 357.251 3.978 20 30 FHEDHN N#Cc1ccc(C2(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC2)cc1 ZINC000187304029 929765783 /nfs/dbraw/zinc/76/57/83/929765783.db2.gz LDUPWXKEAZFTNB-OAQYLSRUSA-N 0 3 359.473 3.543 20 30 FHEDHN N#Cc1ccc(C2(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC2)cc1 ZINC000187304048 929766369 /nfs/dbraw/zinc/76/63/69/929766369.db2.gz LDUPWXKEAZFTNB-NRFANRHFSA-N 0 3 359.473 3.543 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2ccccc2COCc2ccccc2)CC1 ZINC000299155756 929871441 /nfs/dbraw/zinc/87/14/41/929871441.db2.gz MQOQKIKTTDXHJG-UHFFFAOYSA-N 0 3 362.473 3.687 20 30 FHEDHN C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000610347790 930057483 /nfs/dbraw/zinc/05/74/83/930057483.db2.gz XJVXYBHNNUVAGY-UWJYYQICSA-N 0 3 362.477 3.756 20 30 FHEDHN C[C@@H]1CN(Cc2ccc(CNCc3cc(C#N)cs3)cc2)C[C@H](C)O1 ZINC000177683549 930110163 /nfs/dbraw/zinc/11/01/63/930110163.db2.gz WIDKZKGMYVQMIC-IYBDPMFKSA-N 0 3 355.507 3.519 20 30 FHEDHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000610360189 930123955 /nfs/dbraw/zinc/12/39/55/930123955.db2.gz VBBWXINXSBSBAE-OXQOHEQNSA-N 0 3 365.452 3.787 20 30 FHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(F)cc1C#N ZINC000083577113 930661551 /nfs/dbraw/zinc/66/15/51/930661551.db2.gz QATBUZCZOKMODH-INIZCTEOSA-N 0 3 366.440 3.826 20 30 FHEDHN CC[C@@](C)(C#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000580475212 930723594 /nfs/dbraw/zinc/72/35/94/930723594.db2.gz IWVXZNJCIKYOOP-XJUOHMSHSA-N 0 3 361.489 3.711 20 30 FHEDHN CC(C)N(CC#CCN(Cc1ccccn1)C(C)C)Cc1ccccn1 ZINC000580967115 931423363 /nfs/dbraw/zinc/42/33/63/931423363.db2.gz BDQNEYADKUTRJE-UHFFFAOYSA-N 0 3 350.510 3.601 20 30 FHEDHN CCCc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000050681081 931511055 /nfs/dbraw/zinc/51/10/55/931511055.db2.gz LWLSZLNFLDWRHS-IBGZPJMESA-N 0 3 368.477 3.760 20 30 FHEDHN C=CCOc1ccc(CN2CCC(C(=O)N(C)CCCC)CC2)cc1OC ZINC000510405114 931932496 /nfs/dbraw/zinc/93/24/96/931932496.db2.gz YFWHJYITXFCLMM-UHFFFAOYSA-N 0 3 374.525 3.731 20 30 FHEDHN CN(Cc1cc(C#N)cs1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000891395184 932051399 /nfs/dbraw/zinc/05/13/99/932051399.db2.gz VNZMXNSLNDEFLO-LJQANCHMSA-N 0 3 368.506 3.598 20 30 FHEDHN Cc1cc(-n2cncn2)ccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430607175 932185331 /nfs/dbraw/zinc/18/53/31/932185331.db2.gz YNCUBNWXRQQMDG-OAHLLOKOSA-N 0 3 365.462 3.820 20 30 FHEDHN CN(CCCOc1cccc(C#N)c1)Cc1cc(Br)cn1C ZINC000477290541 932452943 /nfs/dbraw/zinc/45/29/43/932452943.db2.gz ITXZSLYZVOFGBD-UHFFFAOYSA-N 0 3 362.271 3.560 20 30 FHEDHN CCOC(=O)Nc1ccc(NC(=O)[C@H](C(C)C)N2CCCCC2)cc1C#N ZINC000161033075 932707671 /nfs/dbraw/zinc/70/76/71/932707671.db2.gz NPLUUIOYWAXXAX-SFHVURJKSA-N 0 3 372.469 3.576 20 30 FHEDHN CN(Cc1cc(C#N)cs1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000891544005 932730346 /nfs/dbraw/zinc/73/03/46/932730346.db2.gz WPIPKKRRVFBVCQ-MRXNPFEDSA-N 0 3 374.535 3.660 20 30 FHEDHN C=C(C)CN1CCC(Oc2ccccc2I)CC1 ZINC000426775121 933162816 /nfs/dbraw/zinc/16/28/16/933162816.db2.gz YRFLIDWGEHSJAH-UHFFFAOYSA-N 0 3 357.235 3.711 20 30 FHEDHN CC(C)[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000510596031 933256727 /nfs/dbraw/zinc/25/67/27/933256727.db2.gz IRLOEJPOVMFZSV-RTWAWAEBSA-N 0 3 370.541 3.846 20 30 FHEDHN COC[C@@H]1CCCN1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000610615538 933536906 /nfs/dbraw/zinc/53/69/06/933536906.db2.gz NIAKZYDKCLEIQA-FQEVSTJZSA-N 0 3 366.461 3.757 20 30 FHEDHN C=CCOc1ccc(CN2CCC(N3CCO[C@@H](C)C3)CC2)cc1Cl ZINC000092078731 933840072 /nfs/dbraw/zinc/84/00/72/933840072.db2.gz QWMNVGXQSXYVEF-INIZCTEOSA-N 0 3 364.917 3.590 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000187662210 934027350 /nfs/dbraw/zinc/02/73/50/934027350.db2.gz XPKLTQPKUFWVCU-QGZVFWFLSA-N 0 3 359.473 3.921 20 30 FHEDHN CN(C(=O)c1cc2ccccc2n1CC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000610774917 934161858 /nfs/dbraw/zinc/16/18/58/934161858.db2.gz BKTKAPLCONGHTE-FQEVSTJZSA-N 0 3 372.472 3.511 20 30 FHEDHN COc1cccc([C@H](C/N=C/c2cc(OC)ccc2O)N2CCCC2)c1 ZINC000022768843 934364663 /nfs/dbraw/zinc/36/46/63/934364663.db2.gz MDUCZGKLIVJWDR-ISXGRJCASA-N 0 3 354.450 3.665 20 30 FHEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@H]3CCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000611559846 934827092 /nfs/dbraw/zinc/82/70/92/934827092.db2.gz AWACIKSAXQOQJS-FGZHOGPDSA-N 0 3 370.456 3.593 20 30 FHEDHN C=CCOc1cccc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000511003875 934853491 /nfs/dbraw/zinc/85/34/91/934853491.db2.gz VQUCEIASQHSIDM-IBGZPJMESA-N 0 3 353.466 3.546 20 30 FHEDHN CC1(C#N)CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000611562729 934912798 /nfs/dbraw/zinc/91/27/98/934912798.db2.gz YTSPEJHWAXUOSE-IBGZPJMESA-N 0 3 354.498 3.549 20 30 FHEDHN C=CCn1c(SCCN(C)C)nnc1-c1ccc(Br)cc1 ZINC000072263000 934997957 /nfs/dbraw/zinc/99/79/57/934997957.db2.gz MXNGZPXTLAMZSM-UHFFFAOYSA-N 0 3 367.316 3.547 20 30 FHEDHN C[C@H]1C[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)CN1Cc1ccccc1 ZINC000548639842 935097487 /nfs/dbraw/zinc/09/74/87/935097487.db2.gz UHUQQTVARHAMKC-KSSFIOAISA-N 0 3 353.853 3.604 20 30 FHEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157981395 935252227 /nfs/dbraw/zinc/25/22/27/935252227.db2.gz GAOJCZXJGCNIQJ-CQSZACIVSA-N 0 3 356.470 3.556 20 30 FHEDHN C#CCN1CCC(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)CC1 ZINC000728483545 935466058 /nfs/dbraw/zinc/46/60/58/935466058.db2.gz JDFBQHHINHFTFR-UHFFFAOYSA-N 0 3 354.400 3.916 20 30 FHEDHN COc1ccc(OC)c([C@H]2CCCN2CCOc2ccc(C#N)cc2)c1 ZINC000015312571 945103275 /nfs/dbraw/zinc/10/32/75/945103275.db2.gz NHLIAYQGPLMLJS-HXUWFJFHSA-N 0 3 352.434 3.791 20 30 FHEDHN C=CCOc1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000506724394 945105461 /nfs/dbraw/zinc/10/54/61/945105461.db2.gz BAJABISNRJEFRU-UHFFFAOYSA-N 0 3 364.489 3.780 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000178571864 935591259 /nfs/dbraw/zinc/59/12/59/935591259.db2.gz LLRYXLKMBJHQLH-UHFFFAOYSA-N 0 3 372.419 3.741 20 30 FHEDHN Cc1ccc(C#N)c(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000127615932 935660540 /nfs/dbraw/zinc/66/05/40/935660540.db2.gz KFLVMXRLDNAKAI-UHFFFAOYSA-N 0 3 374.410 3.993 20 30 FHEDHN Cc1ccc2c(c1)CCN(CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000582461737 935737881 /nfs/dbraw/zinc/73/78/81/935737881.db2.gz VDPKHAMDXDPGQN-UHFFFAOYSA-N 0 3 365.502 3.804 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000582472817 935758368 /nfs/dbraw/zinc/75/83/68/935758368.db2.gz CROKGJJEIILVIJ-IRNNPGBSSA-N 0 3 359.473 3.613 20 30 FHEDHN Cc1cc2[nH]c(CN[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2c(C)c1 ZINC000479449603 935838840 /nfs/dbraw/zinc/83/88/40/935838840.db2.gz HLLQRMKRHQQFEX-NRFANRHFSA-N 0 3 372.472 3.942 20 30 FHEDHN CC[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000472237714 935916412 /nfs/dbraw/zinc/91/64/12/935916412.db2.gz GRQOPZZTWYHDDR-UNMCSNQZSA-N 0 3 361.489 3.690 20 30 FHEDHN Cc1cccc(NC2CCN(CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000152995933 935929702 /nfs/dbraw/zinc/92/97/02/935929702.db2.gz FUENQWJWDQVRKS-UHFFFAOYSA-N 0 3 368.506 3.833 20 30 FHEDHN CC[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000472261029 936133094 /nfs/dbraw/zinc/13/30/94/936133094.db2.gz PXHNXIVPXAFMKM-IRLDBZIGSA-N 0 3 361.489 3.690 20 30 FHEDHN Cc1cnc(NC(=O)NCC2(N3CCSCC3)CCCCC2)s1 ZINC000329246360 938302040 /nfs/dbraw/zinc/30/20/40/938302040.db2.gz RBLGMOBTHPAVEK-UHFFFAOYSA-N 0 3 354.545 3.529 20 30 FHEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000278383825 938368605 /nfs/dbraw/zinc/36/86/05/938368605.db2.gz DFJGQSMXQSMJNY-BFYDXBDKSA-N 0 3 361.511 3.567 20 30 FHEDHN C=CCC[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000278395328 938383353 /nfs/dbraw/zinc/38/33/53/938383353.db2.gz AYUGFOSPGDYOQE-WIYYLYMNSA-N 0 3 371.525 3.589 20 30 FHEDHN Cc1cccc2ncnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)c12 ZINC000080765956 938702381 /nfs/dbraw/zinc/70/23/81/938702381.db2.gz SGCRCEKQMOFZHJ-UHFFFAOYSA-N 0 3 357.461 3.522 20 30 FHEDHN N#CC(C(=O)c1ccc(O[C@H]2CCOC2)cc1)c1nc(C2CC2)cs1 ZINC000647379432 939084932 /nfs/dbraw/zinc/08/49/32/939084932.db2.gz JWBHLGBRCGHFKM-HOTGVXAUSA-N 0 3 354.431 3.678 20 30 FHEDHN COc1ccc([C@H](C/N=C/c2cc(Cl)ccc2O)N(C)C)cc1OC ZINC000194860671 945228368 /nfs/dbraw/zinc/22/83/68/945228368.db2.gz NRBSJTVXQGTGIU-XYHOIZSOSA-N 0 3 362.857 3.785 20 30 FHEDHN C[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518238358 945249478 /nfs/dbraw/zinc/24/94/78/945249478.db2.gz UPIYBXYZYCBSOM-QGZVFWFLSA-N 0 3 374.488 3.776 20 30 FHEDHN CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000507462397 945250140 /nfs/dbraw/zinc/25/01/40/945250140.db2.gz DKVCZVKQLCZGGZ-JXFKEZNVSA-N 0 3 365.452 3.995 20 30 FHEDHN Cc1c([C@@H]2CCCN2Cc2cn(CCC#N)nc2-c2ccccc2)cnn1C ZINC000091967015 939884900 /nfs/dbraw/zinc/88/49/00/939884900.db2.gz QFDVJVCYSIXIMX-NRFANRHFSA-N 0 3 374.492 3.843 20 30 FHEDHN N#Cc1ccc(C=Cc2nc3c(c(=O)[n-]2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000375822309 939941430 /nfs/dbraw/zinc/94/14/30/939941430.db2.gz GHLVMOSONWJOII-ZHACJKMWSA-N 0 3 368.440 3.783 20 30 FHEDHN N#Cc1ccc(C=Cc2nc3c(c(=O)[n-]2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000375822309 939941432 /nfs/dbraw/zinc/94/14/32/939941432.db2.gz GHLVMOSONWJOII-ZHACJKMWSA-N 0 3 368.440 3.783 20 30 FHEDHN C[C@]1(C#N)CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000612372535 940029214 /nfs/dbraw/zinc/02/92/14/940029214.db2.gz RBPDNXHZGARCBW-PZJWPPBQSA-N 0 3 354.498 3.549 20 30 FHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000892496290 940063881 /nfs/dbraw/zinc/06/38/81/940063881.db2.gz XSHDUQIJTPYCJX-MSOLQXFVSA-N 0 3 368.477 3.951 20 30 FHEDHN CC1(C)CO[C@@H](CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000892497385 940069886 /nfs/dbraw/zinc/06/98/86/940069886.db2.gz ZAYYZHGCXQLEMR-RYUDHWBXSA-N 0 3 369.248 3.846 20 30 FHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1cccs1 ZINC000065930145 940079945 /nfs/dbraw/zinc/07/99/45/940079945.db2.gz JITWQGQRMOXTJE-UHFFFAOYSA-N 0 3 355.507 3.533 20 30 FHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cncc(C(C)=O)c2)cc1 ZINC000892502127 940115221 /nfs/dbraw/zinc/11/52/21/940115221.db2.gz VZTJHAMKOPNLAU-BFUOFWGJSA-N 0 3 363.417 3.759 20 30 FHEDHN CC(C)(C#N)CNC1CCN(Cc2ccccc2Br)CC1 ZINC000612588185 940164613 /nfs/dbraw/zinc/16/46/13/940164613.db2.gz RLWJJTJHVJJHEF-UHFFFAOYSA-N 0 3 350.304 3.553 20 30 FHEDHN C=CC[C@H](Cc1ccccc1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000413836867 940175354 /nfs/dbraw/zinc/17/53/54/940175354.db2.gz PXIMFWFACVJPEU-LJQANCHMSA-N 0 3 355.482 3.540 20 30 FHEDHN C[C@H](CCC#N)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000298790977 945312363 /nfs/dbraw/zinc/31/23/63/945312363.db2.gz YISDOCWRWLVWTH-CHWSQXEVSA-N 0 3 351.376 3.620 20 30 FHEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)CCN1Cc1ccccc1 ZINC000581334501 940499443 /nfs/dbraw/zinc/49/94/43/940499443.db2.gz YTBPIZVINQEVFC-RDTXWAMCSA-N 0 3 368.868 3.996 20 30 FHEDHN C=CCN1CCC(NC(=O)Nc2ccnc(Oc3ccccc3)c2)CC1 ZINC000173253710 940601254 /nfs/dbraw/zinc/60/12/54/940601254.db2.gz SVBIYPCLBZQEAI-UHFFFAOYSA-N 0 3 352.438 3.646 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000173661167 940656473 /nfs/dbraw/zinc/65/64/73/940656473.db2.gz USVGHFXREMWNAK-UHFFFAOYSA-N 0 3 355.404 3.953 20 30 FHEDHN Cc1csc(C(C#N)C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)n1 ZINC000173899189 940685467 /nfs/dbraw/zinc/68/54/67/940685467.db2.gz VDWWHHRLENKSFO-OAHLLOKOSA-N 0 3 355.463 3.604 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000174428026 940733001 /nfs/dbraw/zinc/73/30/01/940733001.db2.gz FCPJDQUXUWYLMU-UHFFFAOYSA-N 0 3 370.266 3.750 20 30 FHEDHN C[C@H](c1cccc(O)c1)N(C)CC#CCN(C)[C@@H](C)c1cccc(O)c1 ZINC000472562796 940813387 /nfs/dbraw/zinc/81/33/87/940813387.db2.gz IRGKRYBNIXOLEF-HDICACEKSA-N 0 3 352.478 3.787 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2ccc(F)c(F)c2)CC1 ZINC000175511245 940880907 /nfs/dbraw/zinc/88/09/07/940880907.db2.gz MRTBTFWILHWZRN-UHFFFAOYSA-N 0 3 351.441 3.540 20 30 FHEDHN CC[C@@H](C)n1ncc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)c1C ZINC000330120602 945364698 /nfs/dbraw/zinc/36/46/98/945364698.db2.gz JDLWWIWSUGOKGS-UPTPFMHGSA-N 0 3 361.534 3.904 20 30 FHEDHN Cc1oc2ccc(NC(=O)NC(C)(C)CCN3CCN(C)CC3)cc2c1C ZINC000330129134 945367959 /nfs/dbraw/zinc/36/79/59/945367959.db2.gz DTVVYMLXDTUMQR-UHFFFAOYSA-N 0 3 372.513 3.601 20 30 FHEDHN C=CCN(Cc1cccs1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659032899 941034712 /nfs/dbraw/zinc/03/47/12/941034712.db2.gz SPGGKBFMSUHVQF-SFHVURJKSA-N 0 3 357.479 3.629 20 30 FHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccn1C1CCCC1 ZINC000180706095 941067824 /nfs/dbraw/zinc/06/78/24/941067824.db2.gz OTMOIESDYBLLIF-UHFFFAOYSA-N 0 3 364.493 3.679 20 30 FHEDHN C=CCC[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(C(F)(F)F)cc1 ZINC000659472574 941290976 /nfs/dbraw/zinc/29/09/76/941290976.db2.gz OLFOGOYWSDCOIN-OAGGEKHMSA-N 0 3 373.394 3.793 20 30 FHEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCC(C)(C)CCC#N ZINC000376992621 941489022 /nfs/dbraw/zinc/48/90/22/941489022.db2.gz ITBPHEYBZUTVPR-SFHVURJKSA-N 0 3 356.514 3.622 20 30 FHEDHN C[C@H]1CCN(C(=O)NCC(C)(C)CCC#N)CCN1Cc1ccccc1 ZINC000377043496 941501608 /nfs/dbraw/zinc/50/16/08/941501608.db2.gz FMTMWNIAKJSWSW-SFHVURJKSA-N 0 3 356.514 3.622 20 30 FHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc([C@H]3CCC(=O)N3)cc2)n1 ZINC000892802435 941569891 /nfs/dbraw/zinc/56/98/91/941569891.db2.gz MLZHDLUBDJMMGI-HUUCEWRRSA-N 0 3 353.447 3.708 20 30 FHEDHN C=C(C)Cn1c(CC)nnc1N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000549246421 941735804 /nfs/dbraw/zinc/73/58/04/941735804.db2.gz IINCIHGYADIDQK-LJQANCHMSA-N 0 3 353.514 3.517 20 30 FHEDHN C=C(C)Cn1c(C)nnc1N1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000549273143 941812194 /nfs/dbraw/zinc/81/21/94/941812194.db2.gz USTWOKNUAIFIMF-HXUWFJFHSA-N 0 3 353.514 3.654 20 30 FHEDHN N#Cc1ccc([C@@H](NC2CCC(c3ccc(F)cc3)CC2)C(N)=O)cc1 ZINC000513440427 941927634 /nfs/dbraw/zinc/92/76/34/941927634.db2.gz ZGJTYOYHEBDFIS-RRWXTXHCSA-N 0 3 351.425 3.540 20 30 FHEDHN N#Cc1ccc(CNC(=O)CN[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000513560267 942016610 /nfs/dbraw/zinc/01/66/10/942016610.db2.gz MLMWTDFJRKOUER-HSZRJFAPSA-N 0 3 369.468 3.748 20 30 FHEDHN C=CCN1CCC(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)CC1 ZINC000280481241 942193268 /nfs/dbraw/zinc/19/32/68/942193268.db2.gz JFWLRDIBWWXYSH-UHFFFAOYSA-N 0 3 373.497 3.722 20 30 FHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC(C)(C)CCC#N ZINC000502175127 942264614 /nfs/dbraw/zinc/26/46/14/942264614.db2.gz QOOWCFMFBRCSHE-IBGZPJMESA-N 0 3 358.530 3.772 20 30 FHEDHN CC(C)(C#N)c1ccccc1CN1CCC(NC(=O)c2cccs2)CC1 ZINC000378168690 942347476 /nfs/dbraw/zinc/34/74/76/942347476.db2.gz MDBCMCDVHWRQKJ-UHFFFAOYSA-N 0 3 367.518 3.944 20 30 FHEDHN N#Cc1ccc(CNCCOc2ncc(C(F)(F)F)cc2Cl)cc1F ZINC000421337849 942510574 /nfs/dbraw/zinc/51/05/74/942510574.db2.gz AZXNHVVZYXEOLZ-UHFFFAOYSA-N 0 3 373.737 3.933 20 30 FHEDHN Cc1cc(C)cc(OC[C@@H](O)CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502548419 942525662 /nfs/dbraw/zinc/52/56/62/942525662.db2.gz KXBIIBPXNZBDSZ-QFIPXVFZSA-N 0 3 362.473 3.704 20 30 FHEDHN CC1(C)CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@H]1C#N ZINC000434446995 942670960 /nfs/dbraw/zinc/67/09/60/942670960.db2.gz SGUXCUAXWBBVDZ-MJGOQNOKSA-N 0 3 357.473 3.578 20 30 FHEDHN CC1(C)CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@H]1C#N ZINC000434446990 942671219 /nfs/dbraw/zinc/67/12/19/942671219.db2.gz SGUXCUAXWBBVDZ-HKUYNNGSSA-N 0 3 357.473 3.578 20 30 FHEDHN C=CCOc1ccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000414547359 942763610 /nfs/dbraw/zinc/76/36/10/942763610.db2.gz ZGLKCQYFNOYRCR-JOCHJYFZSA-N 0 3 367.489 3.871 20 30 FHEDHN CC(C)[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000513758431 942802214 /nfs/dbraw/zinc/80/22/14/942802214.db2.gz BUOHSFPHGVOCPR-FQEVSTJZSA-N 0 3 355.869 3.815 20 30 FHEDHN Cc1ccccc1C[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000514177708 942803082 /nfs/dbraw/zinc/80/30/82/942803082.db2.gz GHWWNOUVVIXIBN-QFIPXVFZSA-N 0 3 361.489 3.949 20 30 FHEDHN Cc1ccccc1C[C@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000514177707 942803187 /nfs/dbraw/zinc/80/31/87/942803187.db2.gz GHWWNOUVVIXIBN-JOCHJYFZSA-N 0 3 361.489 3.949 20 30 FHEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2Nc2cccc(CN3CCSCC3)c2)O1 ZINC000378472160 942807414 /nfs/dbraw/zinc/80/74/14/942807414.db2.gz GKZNYDVLAYSCDS-XRXFAXGQSA-N 0 3 371.550 3.887 20 30 FHEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2Nc2cccc(CN3CCSCC3)c2)O1 ZINC000378472158 942807458 /nfs/dbraw/zinc/80/74/58/942807458.db2.gz GKZNYDVLAYSCDS-MXEMCNAFSA-N 0 3 371.550 3.887 20 30 FHEDHN C#CCOc1ccccc1CNC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000387874745 942816629 /nfs/dbraw/zinc/81/66/29/942816629.db2.gz ZAIYTLBDWUFBCA-SFHVURJKSA-N 0 3 358.482 3.578 20 30 FHEDHN CCOc1cc(CNCC2(CC#N)CC2)cc(Br)c1OC ZINC000430078881 942889764 /nfs/dbraw/zinc/88/97/64/942889764.db2.gz SVTJAAJNKQIKHW-UHFFFAOYSA-N 0 3 353.260 3.640 20 30 FHEDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000421982550 942917183 /nfs/dbraw/zinc/91/71/83/942917183.db2.gz HMHCCJIYGURCRM-NZSAHSFTSA-N 0 3 370.493 3.585 20 30 FHEDHN Cc1cc(C(=O)Nc2ccc(C)cc2CN(C)C)nn1-c1cccc(C#N)c1 ZINC000503113946 942995506 /nfs/dbraw/zinc/99/55/06/942995506.db2.gz DLQKNCBJHLZOOH-UHFFFAOYSA-N 0 3 373.460 3.675 20 30 FHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000184343935 943001165 /nfs/dbraw/zinc/00/11/65/943001165.db2.gz RBZVYVFCKZQGGE-SJORKVTESA-N 0 3 366.465 3.619 20 30 FHEDHN C[C@@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc2c(c1)CCCC2 ZINC000434861598 943014111 /nfs/dbraw/zinc/01/41/11/943014111.db2.gz ARUKIAGEQHMORQ-AUUYWEPGSA-N 0 3 365.502 3.955 20 30 FHEDHN C=CCN(CCc1ccco1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434987389 943086501 /nfs/dbraw/zinc/08/65/01/943086501.db2.gz UHJAXMNTFCJKRQ-UHFFFAOYSA-N 0 3 361.449 3.682 20 30 FHEDHN COc1ccc([C@H](CNc2ccc(Cl)c(C#N)n2)N2CCCC2)cc1 ZINC000067346552 943098643 /nfs/dbraw/zinc/09/86/43/943098643.db2.gz VHVSCCQNVAAFIJ-SFHVURJKSA-N 0 3 356.857 3.864 20 30 FHEDHN C=CCc1cc(CN2CCC(c3ccnn3CC)CC2)cc(OC)c1O ZINC000435042403 943107987 /nfs/dbraw/zinc/10/79/87/943107987.db2.gz MNVHQIXCFSKUEK-UHFFFAOYSA-N 0 3 355.482 3.725 20 30 FHEDHN N#Cc1cccc(C2(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)CC2)c1 ZINC000435026721 943110986 /nfs/dbraw/zinc/11/09/86/943110986.db2.gz JMIADFRWBLKSHJ-QFIPXVFZSA-N 0 3 373.500 3.761 20 30 FHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000435160474 943216315 /nfs/dbraw/zinc/21/63/15/943216315.db2.gz HYIZGNGUKNAIMW-KBXCAEBGSA-N 0 3 352.413 3.654 20 30 FHEDHN N#Cc1cccc(CCN[C@@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000503558372 943259649 /nfs/dbraw/zinc/25/96/49/943259649.db2.gz RIFOTSOPKAQMPQ-HSZRJFAPSA-N 0 3 369.468 3.748 20 30 FHEDHN Cc1cc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1Cl ZINC000503920719 943408884 /nfs/dbraw/zinc/40/88/84/943408884.db2.gz MZDFIOYKFONGPG-LJQANCHMSA-N 0 3 353.853 3.805 20 30 FHEDHN C=CC[C@@H](C)NC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435538558 943474744 /nfs/dbraw/zinc/47/47/44/943474744.db2.gz WVFBAUALHCOENL-VQIMIIECSA-N 0 3 367.497 3.725 20 30 FHEDHN N#Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000515230499 943572952 /nfs/dbraw/zinc/57/29/52/943572952.db2.gz OHOCPFOREHMQER-KRWDZBQOSA-N 0 3 354.841 3.608 20 30 FHEDHN Cc1c(C#N)cccc1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000431944069 943577805 /nfs/dbraw/zinc/57/78/05/943577805.db2.gz WQZBPFXUHINESF-UHFFFAOYSA-N 0 3 362.477 3.825 20 30 FHEDHN CCOc1ccc(Oc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)cc1 ZINC000424079309 943711932 /nfs/dbraw/zinc/71/19/32/943711932.db2.gz RDPKQJOMRARDLR-IBGZPJMESA-N 0 3 353.422 3.837 20 30 FHEDHN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424096478 943730127 /nfs/dbraw/zinc/73/01/27/943730127.db2.gz XZBWMYMBNYZTEL-KRWDZBQOSA-N 0 3 365.437 3.599 20 30 FHEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000424111997 943736968 /nfs/dbraw/zinc/73/69/68/943736968.db2.gz HWIYDYSRUPZKFX-CVEARBPZSA-N 0 3 353.388 3.780 20 30 FHEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000424119754 943741808 /nfs/dbraw/zinc/74/18/08/943741808.db2.gz DBCBRJIVUAOWMS-VDGAXYAQSA-N 0 3 354.425 3.686 20 30 FHEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424149912 943753059 /nfs/dbraw/zinc/75/30/59/943753059.db2.gz XVMMNMQGXZPHIN-GDBMZVCRSA-N 0 3 356.495 3.659 20 30 FHEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424149920 943753070 /nfs/dbraw/zinc/75/30/70/943753070.db2.gz XVMMNMQGXZPHIN-ZBFHGGJFSA-N 0 3 356.495 3.659 20 30 FHEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000424178762 943762193 /nfs/dbraw/zinc/76/21/93/943762193.db2.gz XHAAGGFCUVDJGW-HNNXBMFYSA-N 0 3 354.281 3.552 20 30 FHEDHN C=CCN1CC[C@@H](N(C)CC/C=C\c2ccc(Br)cc2)C1=O ZINC000500008131 943944267 /nfs/dbraw/zinc/94/42/67/943944267.db2.gz INNOOPQANLKXFM-XQDHMALISA-N 0 3 363.299 3.571 20 30 FHEDHN C=CCC1(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CCOCC1 ZINC000424720223 944069204 /nfs/dbraw/zinc/06/92/04/944069204.db2.gz KOWNOHKDNDEELZ-OAQYLSRUSA-N 0 3 370.537 3.949 20 30 FHEDHN COc1ccc(OCCN(C)[C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000425528934 944238605 /nfs/dbraw/zinc/23/86/05/944238605.db2.gz AAJFTNVYQXASJA-CQSZACIVSA-N 0 3 355.394 3.547 20 30 FHEDHN N#CC1(CNC2(Cc3ccc(F)cc3Br)CCOCC2)CC1 ZINC000550139204 944274897 /nfs/dbraw/zinc/27/48/97/944274897.db2.gz LDBYZPQCQXQQMI-UHFFFAOYSA-N 0 3 367.262 3.573 20 30 FHEDHN C=CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000517641007 944462460 /nfs/dbraw/zinc/46/24/60/944462460.db2.gz GAVNKLLIJINCIH-UHFFFAOYSA-N 0 3 363.505 3.808 20 30 FHEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000425606202 944520574 /nfs/dbraw/zinc/52/05/74/944520574.db2.gz MGVMYWSYOVYCQS-NHCUHLMSSA-N 0 3 361.489 3.984 20 30 FHEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1OC ZINC000438456819 944622903 /nfs/dbraw/zinc/62/29/03/944622903.db2.gz DOBRQFDEZGAGAR-UHFFFAOYSA-N 0 3 374.506 3.526 20 30 FHEDHN CCCCCCCC(=O)N1CCC[C@@]2(C1)CN(C1CCCC1)CCO2 ZINC001270134480 944705997 /nfs/dbraw/zinc/70/59/97/944705997.db2.gz NAZVVTAECBBASX-NRFANRHFSA-N 0 3 350.547 3.983 20 30 FHEDHN CCCCCCCC(=O)N1CCC2(CCCN(Cc3cn[nH]c3)C2)CC1 ZINC001270134854 944710713 /nfs/dbraw/zinc/71/07/13/944710713.db2.gz VYIVOQMILRKISY-UHFFFAOYSA-N 0 3 360.546 3.975 20 30 FHEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000425643632 944756616 /nfs/dbraw/zinc/75/66/16/944756616.db2.gz IXUVLXSIERGAIB-OXQOHEQNSA-N 0 3 350.466 3.564 20 30 FHEDHN CC(C)[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)N1CCCCC1 ZINC000517893968 944804916 /nfs/dbraw/zinc/80/49/16/944804916.db2.gz ZKNHZEKNAYRSHS-QFIPXVFZSA-N 0 3 361.489 3.930 20 30 FHEDHN C=CCN1CCC(NC(=O)N(Cc2ccco2)Cc2cccc(C)c2)CC1 ZINC000518023641 944926087 /nfs/dbraw/zinc/92/60/87/944926087.db2.gz PGPHMPRKRFYKKJ-UHFFFAOYSA-N 0 3 367.493 3.950 20 30 FHEDHN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330216446 945406064 /nfs/dbraw/zinc/40/60/64/945406064.db2.gz HUNOBKYHPNADSN-FABXCBLPSA-N 0 3 352.862 3.791 20 30 FHEDHN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000330251970 945426190 /nfs/dbraw/zinc/42/61/90/945426190.db2.gz NXQCJBIRAQBTCA-SQWLQELKSA-N 0 3 365.543 3.771 20 30 FHEDHN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000330251969 945426262 /nfs/dbraw/zinc/42/62/62/945426262.db2.gz NXQCJBIRAQBTCA-IIAWOOMASA-N 0 3 365.543 3.771 20 30 FHEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000473615618 945496678 /nfs/dbraw/zinc/49/66/78/945496678.db2.gz QHNNCTHVXIHICI-UNMCSNQZSA-N 0 3 358.526 3.805 20 30 FHEDHN N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)o2)cc1 ZINC000281065627 945515300 /nfs/dbraw/zinc/51/53/00/945515300.db2.gz SKSKANINAHRDNE-GUDVDZBRSA-N 0 3 366.465 3.514 20 30 FHEDHN O=C(Nc1ccc2nnc(C3CCC3)n2c1)[C@@H]1CCCN1C1CCCC1 ZINC000330310163 945530385 /nfs/dbraw/zinc/53/03/85/945530385.db2.gz NFEOQEMYICXSKL-KRWDZBQOSA-N 0 3 353.470 3.992 20 30 FHEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000125093142 945594840 /nfs/dbraw/zinc/59/48/40/945594840.db2.gz ZDIUHYWRDRIJKP-CQSZACIVSA-N 0 3 365.389 3.910 20 30 FHEDHN Cc1nc2c(n1[C@H]1CCN(CC(=O)NC3CCCCCC3)C1)CCCC2 ZINC000330354709 945659352 /nfs/dbraw/zinc/65/93/52/945659352.db2.gz PSSRJCIUBYOKIY-SFHVURJKSA-N 0 3 358.530 3.996 20 30 FHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CCc1ccc(C#N)cc1 ZINC000469487374 945659769 /nfs/dbraw/zinc/65/97/69/945659769.db2.gz GPNHLWOILRBQBN-QFIPXVFZSA-N 0 3 363.505 3.764 20 30 FHEDHN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125230438 945688465 /nfs/dbraw/zinc/68/84/65/945688465.db2.gz MIBUSHHRIDTXPH-WBVHZDCISA-N 0 3 365.433 3.628 20 30 FHEDHN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(C#N)c(OC)c3)ccc2NC1=O ZINC000281575742 945774721 /nfs/dbraw/zinc/77/47/21/945774721.db2.gz CVPTZLJMSWZCQS-FZKQIMNGSA-N 0 3 365.433 3.527 20 30 FHEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000661419525 946088367 /nfs/dbraw/zinc/08/83/67/946088367.db2.gz RJWVXWSCOLERFR-SFTDATJTSA-N 0 3 370.541 3.728 20 30 FHEDHN CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2cccc(C#N)c2)s1 ZINC000444222199 946097053 /nfs/dbraw/zinc/09/70/53/946097053.db2.gz DWHJFNTUSOLKBL-CQSZACIVSA-N 0 3 356.495 3.907 20 30 FHEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccc(Cl)c(Cl)c2)cc1 ZINC000594729985 946132419 /nfs/dbraw/zinc/13/24/19/946132419.db2.gz ACWMEMKXQVPCQU-HNNXBMFYSA-N 0 3 365.260 3.589 20 30 FHEDHN CS[C@H]1CCCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000441136228 946260793 /nfs/dbraw/zinc/26/07/93/946260793.db2.gz VGKJKQYGOFPJQR-VIHIWDAPSA-N 0 3 351.560 3.523 20 30 FHEDHN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000441337993 946445475 /nfs/dbraw/zinc/44/54/75/946445475.db2.gz KMZAEEWUMBNIES-VMRPVKRXSA-N 0 3 354.425 3.520 20 30 FHEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)CC(=O)NCc1cccc(C#N)c1 ZINC000441359240 946485239 /nfs/dbraw/zinc/48/52/39/946485239.db2.gz QULLRAGOXRFBFV-QFIPXVFZSA-N 0 3 363.505 3.826 20 30 FHEDHN COc1cc(Br)c(CNCC2CCC(C#N)CC2)c(OC)c1 ZINC000441362446 946488335 /nfs/dbraw/zinc/48/83/35/946488335.db2.gz VCBDQDRMKQONMB-UHFFFAOYSA-N 0 3 367.287 3.886 20 30 FHEDHN C=CCn1c(C2CC2)nnc1N1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000508493942 946698718 /nfs/dbraw/zinc/69/87/18/946698718.db2.gz ZUSWZZZXZHWYJM-FQEVSTJZSA-N 0 3 365.525 3.832 20 30 FHEDHN CC(=O)c1cc(C#N)ccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000661903786 946856531 /nfs/dbraw/zinc/85/65/31/946856531.db2.gz CFBWMHMDGZSWQC-UHFFFAOYSA-N 0 3 361.445 3.612 20 30 FHEDHN Cc1ccc(CN(CCN(C)C)C(=O)C[C@H](CC#N)c2ccccc2)o1 ZINC000475317235 946881098 /nfs/dbraw/zinc/88/10/98/946881098.db2.gz YTGCLMDSYCOERA-IBGZPJMESA-N 0 3 353.466 3.566 20 30 FHEDHN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328690560 946989201 /nfs/dbraw/zinc/98/92/01/946989201.db2.gz BSYSPICNTPCLAC-IJXRJRJASA-N 0 3 374.525 3.957 20 30 FHEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@@H](C2CCOCC2)C1 ZINC000328789936 947048314 /nfs/dbraw/zinc/04/83/14/947048314.db2.gz QBSSHZYASDIJFW-NVXWUHKLSA-N 0 3 374.481 3.573 20 30 FHEDHN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)on1 ZINC000328803416 947052810 /nfs/dbraw/zinc/05/28/10/947052810.db2.gz JYTTWVIYEWIRPC-QRQLOZEOSA-N 0 3 368.481 3.869 20 30 FHEDHN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)c1 ZINC000328941303 947094576 /nfs/dbraw/zinc/09/45/76/947094576.db2.gz FGVKMVHYWOANGQ-NEOGFGCTSA-N 0 3 360.498 3.532 20 30 FHEDHN NC(=O)c1ccc(NC(=O)CCN2CCOCC23CCCC3)cc1Cl ZINC000328911125 947103467 /nfs/dbraw/zinc/10/34/67/947103467.db2.gz GDNDMXGUPGKVIS-UHFFFAOYSA-N 0 3 365.861 3.846 20 30 FHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000328919733 947108924 /nfs/dbraw/zinc/10/89/24/947108924.db2.gz BRRGOSHYWVNDMV-BRWVUGGUSA-N 0 3 362.518 3.590 20 30 FHEDHN C[C@@H]1CC(CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000330432482 947172828 /nfs/dbraw/zinc/17/28/28/947172828.db2.gz KAZBUYWGARTXTH-HBUWYVDXSA-N 0 3 367.921 3.650 20 30 FHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000662087712 947227408 /nfs/dbraw/zinc/22/74/08/947227408.db2.gz IQXCQZIBAMKXNV-ZVDOUQERSA-N 0 3 354.494 3.932 20 30 FHEDHN C=CC[C@H]1N(CC(=O)Nc2cccc(N3CCCC3=O)c2)CCCC1(C)C ZINC000444788350 947228994 /nfs/dbraw/zinc/22/89/94/947228994.db2.gz UOJUBAMUKMTVJF-LJQANCHMSA-N 0 3 369.509 3.819 20 30 FHEDHN C[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CCN1CC(C)(C)O ZINC000444795268 947232962 /nfs/dbraw/zinc/23/29/62/947232962.db2.gz UOLITGKRKNYZGD-SFHVURJKSA-N 0 3 363.505 3.502 20 30 FHEDHN COc1ccc(C2(NCc3ccc(F)c(C#N)c3)CCOCC2)cc1F ZINC000444819940 947255216 /nfs/dbraw/zinc/25/52/16/947255216.db2.gz VOVGLQJIWXGEPO-UHFFFAOYSA-N 0 3 358.388 3.641 20 30 FHEDHN C[C@@H](NC[C@](C)(O)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)nc1 ZINC000931617817 947334715 /nfs/dbraw/zinc/33/47/15/947334715.db2.gz QJUXMDMOQOWGDD-XCBNKYQSSA-N 0 3 366.252 3.700 20 30 FHEDHN CC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)cc1 ZINC000181835554 947375417 /nfs/dbraw/zinc/37/54/17/947375417.db2.gz VXBABMSBNDWWRM-UGSOOPFHSA-N 0 3 355.438 3.845 20 30 FHEDHN CC(C)NC(=O)Nc1cccc(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000331291320 947390820 /nfs/dbraw/zinc/39/08/20/947390820.db2.gz KNPPVQWQOHLQOE-UHFFFAOYSA-N 0 3 360.502 3.848 20 30 FHEDHN C=CCCC[C@H]([NH2+]C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573335138 947472368 /nfs/dbraw/zinc/47/23/68/947472368.db2.gz MLZYCMZRBHDDMH-VQTJNVASSA-N 0 3 363.465 3.587 20 30 FHEDHN C=CCCC[C@H]([NH2+]C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573335138 947472371 /nfs/dbraw/zinc/47/23/71/947472371.db2.gz MLZYCMZRBHDDMH-VQTJNVASSA-N 0 3 363.465 3.587 20 30 FHEDHN COCCCN(CCc1ccc(OC)cc1)Cc1cc(C#N)ccc1F ZINC000523790113 947614622 /nfs/dbraw/zinc/61/46/22/947614622.db2.gz XNCGQTOBNPZKTK-UHFFFAOYSA-N 0 3 356.441 3.787 20 30 FHEDHN N#CCc1ccc(OC[C@@H](O)CNC(c2ccccc2)c2ccccc2)cc1 ZINC000025865978 948009200 /nfs/dbraw/zinc/00/92/00/948009200.db2.gz MZWYYLWXHGZTSD-QFIPXVFZSA-N 0 3 372.468 3.872 20 30 FHEDHN C=CCOc1ccc(CNCc2ccccc2Cn2cncn2)cc1Cl ZINC000066971791 948106593 /nfs/dbraw/zinc/10/65/93/948106593.db2.gz YQCKYTCUUHKELY-UHFFFAOYSA-N 0 3 368.868 3.834 20 30 FHEDHN CN(Cc1csc2ccccc12)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000046089621 948139508 /nfs/dbraw/zinc/13/95/08/948139508.db2.gz XHMZLSFWUJOHON-GOSISDBHSA-N 0 3 366.486 3.839 20 30 FHEDHN C=CCOc1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000092644613 948231144 /nfs/dbraw/zinc/23/11/44/948231144.db2.gz OXDCLTDILGZWFI-UHFFFAOYSA-N 0 3 356.510 3.912 20 30 FHEDHN C=CCN(Cc1cccc(C#N)c1)Cc1ccccc1N1CCN(CC)CC1 ZINC000512069348 948353329 /nfs/dbraw/zinc/35/33/29/948353329.db2.gz WXNMDFLYVQSEAQ-UHFFFAOYSA-N 0 3 374.532 3.888 20 30 FHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000090106660 948617991 /nfs/dbraw/zinc/61/79/91/948617991.db2.gz ODLYQNIZFMVULD-AWEZNQCLSA-N 0 3 367.840 3.522 20 30 FHEDHN N#CC(C(=O)c1ccccc1-n1cccn1)c1ccc(C(F)(F)F)cn1 ZINC000048829238 221015831 /nfs/dbraw/zinc/01/58/31/221015831.db2.gz KHXVTNTXJVETEK-CQSZACIVSA-N 0 3 356.307 3.776 20 30 FHEDHN N#Cc1ccccc1OCCN1CCC(OCc2ccc(F)cc2)CC1 ZINC000091888809 567883716 /nfs/dbraw/zinc/88/37/16/567883716.db2.gz ZHOCWRVSDXIPJM-UHFFFAOYSA-N 0 3 354.425 3.757 20 30 FHEDHN C[C@H]1Cc2ccccc2CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568112594 567888582 /nfs/dbraw/zinc/88/85/82/567888582.db2.gz BHIUJOWWUMSZPR-AWEZNQCLSA-N 0 3 353.853 3.987 20 30 FHEDHN CCCC(C#N)(CCC)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410559995 567930771 /nfs/dbraw/zinc/93/07/71/567930771.db2.gz SQPXJCZLUYRONZ-ZIAGYGMSSA-N 0 3 361.452 3.874 20 30 FHEDHN C[C@H](CCC#N)C[N@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000602455695 567982187 /nfs/dbraw/zinc/98/21/87/567982187.db2.gz XOCJVYKHQWOJOD-QGZVFWFLSA-N 0 3 371.506 3.859 20 30 FHEDHN C[C@H](CCC#N)C[N@@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000602455695 567982188 /nfs/dbraw/zinc/98/21/88/567982188.db2.gz XOCJVYKHQWOJOD-QGZVFWFLSA-N 0 3 371.506 3.859 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000602515863 567986637 /nfs/dbraw/zinc/98/66/37/567986637.db2.gz DKRBFBQIUFQTKA-SFHVURJKSA-N 0 3 356.514 3.506 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1OCC(F)(F)F ZINC000602517940 567986856 /nfs/dbraw/zinc/98/68/56/567986856.db2.gz HXKAZWDGIHGENC-AWEZNQCLSA-N 0 3 356.388 3.816 20 30 FHEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000602529395 567988185 /nfs/dbraw/zinc/98/81/85/567988185.db2.gz UTOWFEYQOQCALK-LLVKDONJSA-N 0 3 362.630 3.591 20 30 FHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(COCC(F)(F)F)cc1 ZINC000602511667 567989299 /nfs/dbraw/zinc/98/92/99/567989299.db2.gz PUKHKICAWCMDRJ-HNNXBMFYSA-N 0 3 370.415 3.954 20 30 FHEDHN CN1CC[C@H](NCC(C)(C)C#N)C[C@H]1c1ccc(Br)cc1 ZINC000602617656 567998210 /nfs/dbraw/zinc/99/82/10/567998210.db2.gz YRTFUQFZTQQVRH-HOTGVXAUSA-N 0 3 350.304 3.724 20 30 FHEDHN N#CC1CCC(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602658912 568006768 /nfs/dbraw/zinc/00/67/68/568006768.db2.gz YSYDWGJHHIWIOZ-UHFFFAOYSA-N 0 3 358.261 3.838 20 30 FHEDHN N#CC1CCC(NCc2c(Br)cncc2Br)CC1 ZINC000602672039 568008275 /nfs/dbraw/zinc/00/82/75/568008275.db2.gz CMJITJBVSCNTOJ-UHFFFAOYSA-N 0 3 373.092 3.779 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCC(=O)Nc1ccc(F)c(F)c1F ZINC000481679252 568084854 /nfs/dbraw/zinc/08/48/54/568084854.db2.gz SRHGHXRMKLPXQT-MRXNPFEDSA-N 0 3 373.378 3.971 20 30 FHEDHN CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481737387 568099893 /nfs/dbraw/zinc/09/98/93/568099893.db2.gz DKXOYVQCVCVZGM-UHFFFAOYSA-N 0 3 368.456 3.726 20 30 FHEDHN CN(C)C(=O)[C@@H](Cc1ccccc1)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000481898146 568171574 /nfs/dbraw/zinc/17/15/74/568171574.db2.gz AVOQZGPPDPORBU-FCHUYYIVSA-N 0 3 361.489 3.615 20 30 FHEDHN Cc1cccc(OC[C@@H](O)CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481913855 568182137 /nfs/dbraw/zinc/18/21/37/568182137.db2.gz HXTQVFOHAVLYQY-SIKLNZKXSA-N 0 3 350.462 3.664 20 30 FHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000481918628 568182548 /nfs/dbraw/zinc/18/25/48/568182548.db2.gz IAXWTIBQPHRYRT-HRAATJIYSA-N 0 3 372.415 3.633 20 30 FHEDHN CCN(CC)[C@H](CNC(=O)CSc1ccc(C#N)cc1)c1ccccc1 ZINC000481949658 568195390 /nfs/dbraw/zinc/19/53/90/568195390.db2.gz AUSOXFMBCOLLCF-HXUWFJFHSA-N 0 3 367.518 3.850 20 30 FHEDHN C=C(C)CN1CCC(NC(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000303335869 568266347 /nfs/dbraw/zinc/26/63/47/568266347.db2.gz OHPCNZSTOCJXPH-UHFFFAOYSA-N 0 3 370.324 3.876 20 30 FHEDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2sc(C)c(C)c2C#N)C1(CC)CC ZINC000482136366 568287456 /nfs/dbraw/zinc/28/74/56/568287456.db2.gz PICHOCDUNAEJLH-CVEARBPZSA-N 0 3 363.527 3.749 20 30 FHEDHN CCCN(Cc1ccc(F)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604503380 568302159 /nfs/dbraw/zinc/30/21/59/568302159.db2.gz ISTUKNKIWHIJAK-FQEVSTJZSA-N 0 3 356.441 3.544 20 30 FHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000604520759 568308049 /nfs/dbraw/zinc/30/80/49/568308049.db2.gz MHISSABTTLGMJM-JWUVWSEFSA-N 0 3 371.525 3.529 20 30 FHEDHN C=CCOc1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000604766017 568361954 /nfs/dbraw/zinc/36/19/54/568361954.db2.gz MWNFCDCAQRKWPE-MOPGFXCFSA-N 0 3 365.395 3.876 20 30 FHEDHN CC(C)Oc1ccc(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1C#N ZINC000570027933 568441895 /nfs/dbraw/zinc/44/18/95/568441895.db2.gz VOAZJDKANIGUBW-INIZCTEOSA-N 0 3 370.497 3.684 20 30 FHEDHN CC(C)Cc1ncc(CN(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000569969305 568445031 /nfs/dbraw/zinc/44/50/31/568445031.db2.gz XZECRXVFDUCEPO-UHFFFAOYSA-N 0 3 356.539 3.777 20 30 FHEDHN