smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)n(Cc2cccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2)n1 ZINC000303033015 971467916 /nfs/dbraw/zinc/46/79/16/971467916.db2.gz QESDUBQXXLZKDX-UHFFFAOYSA-N 0 3 415.541 3.624 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000303243271 971576743 /nfs/dbraw/zinc/57/67/43/971576743.db2.gz CSIRINLAZQDBHX-UHFFFAOYSA-N 0 3 410.514 3.663 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCc1c[nH]c2ccccc12 ZINC000303327560 971632948 /nfs/dbraw/zinc/63/29/48/971632948.db2.gz VRASHIJWJSNUCO-UHFFFAOYSA-N 0 3 403.530 3.746 20 30 HHEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000303425854 971706990 /nfs/dbraw/zinc/70/69/90/971706990.db2.gz ZOIBLMSHAZQFOT-SFHVURJKSA-N 0 3 402.608 3.931 20 30 HHEDHN N#Cc1ccc(CSCC(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000303497448 971796088 /nfs/dbraw/zinc/79/60/88/971796088.db2.gz XPWBKMLHJVNEGS-UHFFFAOYSA-N 0 3 403.617 3.659 20 30 HHEDHN C=CCc1ccc(OCC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000303799919 972036250 /nfs/dbraw/zinc/03/62/50/972036250.db2.gz GPDHTMBQHRONQX-HXUWFJFHSA-N 0 3 408.542 3.926 20 30 HHEDHN Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCNC(=O)c2ccc([O-])cc2)cc1 ZINC000303911570 972483899 /nfs/dbraw/zinc/48/38/99/972483899.db2.gz ZSCXJTIMHSFJGF-UHFFFAOYSA-N 0 3 402.498 3.688 20 30 HHEDHN C=CCn1c(SCC(=O)NC[C@H](c2ccccc2)N(C)C)nnc1-c1ccccc1 ZINC000004285911 960571743 /nfs/dbraw/zinc/57/17/43/960571743.db2.gz DIGGOZSVZJNSIW-HXUWFJFHSA-N 0 3 421.570 3.642 20 30 HHEDHN N#Cc1ccc(CN(C[C@H](O)COc2ccc(Br)cc2)C2CC2)cc1 ZINC000542247014 1013206008 /nfs/dbraw/zinc/20/60/08/1013206008.db2.gz DVLXEGPPNODTQN-IBGZPJMESA-N 0 3 401.304 3.725 20 30 HHEDHN CNC(=O)COc1cccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000048779005 964057578 /nfs/dbraw/zinc/05/75/78/964057578.db2.gz HSSISROVVDYOCN-UHFFFAOYSA-N 0 3 415.493 3.552 20 30 HHEDHN CCCCOc1ccc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049392015 964164720 /nfs/dbraw/zinc/16/47/20/964164720.db2.gz RFMLSGPSXMYBSK-SFHVURJKSA-N 0 3 402.458 3.866 20 30 HHEDHN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)C(C#N)c3cc(C)nc(C)n3)c12 ZINC000049405621 964168257 /nfs/dbraw/zinc/16/82/57/964168257.db2.gz DWEWOLLORCFGLH-OAHLLOKOSA-N 0 3 402.483 3.902 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(C(=O)Nc3ccccc3)CC2)c(OC)c1 ZINC000025300211 964233274 /nfs/dbraw/zinc/23/32/74/964233274.db2.gz KGYJDFXCMGFSDP-QFIPXVFZSA-N 0 3 424.541 3.514 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCN(c3ccccc3C#N)CC1)CCC2 ZINC000052801296 964988713 /nfs/dbraw/zinc/98/87/13/964988713.db2.gz BIMVMLWYMLRDRN-UHFFFAOYSA-N 0 3 419.554 3.521 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(-n2cccn2)cc1 ZINC000053050986 965049786 /nfs/dbraw/zinc/04/97/86/965049786.db2.gz XWZLXOYGYDMXQF-UHFFFAOYSA-N 0 3 408.575 3.971 20 30 HHEDHN COc1ccc2c(c1)CCC[C@H]2CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000057044718 965262509 /nfs/dbraw/zinc/26/25/09/965262509.db2.gz XLYSYYAYRSRKRU-QFIPXVFZSA-N 0 3 405.542 3.967 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000054785369 965647145 /nfs/dbraw/zinc/64/71/45/965647145.db2.gz GDIBJCVTAIXDMR-NRFANRHFSA-N 0 3 410.493 3.684 20 30 HHEDHN CS(=O)(=O)Nc1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000061024705 966354306 /nfs/dbraw/zinc/35/43/06/966354306.db2.gz CZERNDKTIHZINR-UHFFFAOYSA-N 0 3 421.522 3.799 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000056805425 966472964 /nfs/dbraw/zinc/47/29/64/966472964.db2.gz DATMLLWLDVBFOM-FQEVSTJZSA-N 0 3 412.921 3.809 20 30 HHEDHN N#CC(C(=O)c1ccc(OCC(N)=O)cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548727 966592073 /nfs/dbraw/zinc/59/20/73/966592073.db2.gz QRBDGQREPQKPIT-ZDUSSCGKSA-N 0 3 419.384 3.669 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N1CCC(C)CC1 ZINC000065601346 967540899 /nfs/dbraw/zinc/54/08/99/967540899.db2.gz DCDRRDBMVHLQCV-SFHVURJKSA-N 0 3 420.513 3.526 20 30 HHEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000046608965 967879110 /nfs/dbraw/zinc/87/91/10/967879110.db2.gz LOKIHNLDMNFNBG-MRXNPFEDSA-N 0 3 416.472 3.994 20 30 HHEDHN Cc1cc(C)n(-c2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)n1 ZINC000047010696 968031407 /nfs/dbraw/zinc/03/14/07/968031407.db2.gz QOADUCYAEVYHLN-UHFFFAOYSA-N 0 3 401.514 3.565 20 30 HHEDHN N#Cc1cccc(COc2cccc(CNCc3ccnc(N4CCOCC4)c3)c2)c1 ZINC000047701300 968278070 /nfs/dbraw/zinc/27/80/70/968278070.db2.gz PPUGZWUHPCBFIF-UHFFFAOYSA-N 0 3 414.509 3.659 20 30 HHEDHN COc1ccc(CN2CC[C@@H](N[C@H]3CCCCc4cc(C#N)ccc43)C2=O)c(OC)c1 ZINC000554078846 1013788915 /nfs/dbraw/zinc/78/89/15/1013788915.db2.gz NNEITEHVXHMHQX-XZOQPEGZSA-N 0 3 419.525 3.734 20 30 HHEDHN CN(CCC(=O)Nc1sccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911335 968360020 /nfs/dbraw/zinc/36/00/20/968360020.db2.gz GSSRYKDCUVFYIM-DOTOQJQBSA-N 0 3 410.326 3.845 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1nc(-c2cccs2)no1 ZINC000065930491 968720672 /nfs/dbraw/zinc/72/06/72/968720672.db2.gz ORHKWSBXDVZBOI-UHFFFAOYSA-N 0 3 423.542 3.583 20 30 HHEDHN Cc1ccc(-c2nc(CC(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cs2)o1 ZINC000065930591 968720758 /nfs/dbraw/zinc/72/07/58/968720758.db2.gz OJFGSPRQHOJEIL-UHFFFAOYSA-N 0 3 408.527 3.716 20 30 HHEDHN Cc1nc2ccccc2c(C)c1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930160 968720847 /nfs/dbraw/zinc/72/08/47/968720847.db2.gz BOMLJPPJUFEOBB-UHFFFAOYSA-N 0 3 400.526 3.856 20 30 HHEDHN CCOc1c(Cl)cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1OC ZINC000065931380 968721982 /nfs/dbraw/zinc/72/19/82/968721982.db2.gz KKBHUJARALDCEY-UHFFFAOYSA-N 0 3 415.921 3.823 20 30 HHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000097261690 969111965 /nfs/dbraw/zinc/11/19/65/969111965.db2.gz TXCQKDKAWXUUSW-XIKOKIGWSA-N 0 3 410.886 3.906 20 30 HHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000113140676 969824848 /nfs/dbraw/zinc/82/48/48/969824848.db2.gz IDOBZWLCQFIELD-QGZVFWFLSA-N 0 3 406.417 3.680 20 30 HHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1nc(-c2ccccc2)oc1C ZINC000113140468 969824964 /nfs/dbraw/zinc/82/49/64/969824964.db2.gz FXZWSHHGXOGQOV-QGZVFWFLSA-N 0 3 403.438 3.939 20 30 HHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000113140673 969825317 /nfs/dbraw/zinc/82/53/17/969825317.db2.gz IDOBZWLCQFIELD-KRWDZBQOSA-N 0 3 406.417 3.680 20 30 HHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000195652821 969934294 /nfs/dbraw/zinc/93/42/94/969934294.db2.gz CTVTYJNKAARAJN-ZYHUDNBSSA-N 0 3 422.234 3.915 20 30 HHEDHN CC(C)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000117174565 969940303 /nfs/dbraw/zinc/94/03/03/969940303.db2.gz FSTHMFSRXLOEHK-QHCPKHFHSA-N 0 3 407.583 3.991 20 30 HHEDHN N#CC(C(=O)CCSc1ccc(Br)cc1)C(=O)Nc1ccccn1 ZINC000138853622 970012734 /nfs/dbraw/zinc/01/27/34/970012734.db2.gz POGOIPVVJJBHEK-CQSZACIVSA-N 0 3 404.289 3.674 20 30 HHEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000138959933 970017067 /nfs/dbraw/zinc/01/70/67/970017067.db2.gz CIJHJKDRDFSMNO-CQSZACIVSA-N 0 3 405.435 3.542 20 30 HHEDHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000140064943 970060965 /nfs/dbraw/zinc/06/09/65/970060965.db2.gz HSEVAISLHRLQPG-QGZVFWFLSA-N 0 3 408.527 3.954 20 30 HHEDHN C#CCCOc1ccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237547901 970311499 /nfs/dbraw/zinc/31/14/99/970311499.db2.gz ASZCEKLNUJBKPF-PMACEKPBSA-N 0 3 406.526 3.628 20 30 HHEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237607474 970321150 /nfs/dbraw/zinc/32/11/50/970321150.db2.gz JMSXNZZERCRPBF-SFHVURJKSA-N 0 3 410.537 3.987 20 30 HHEDHN C#CCOc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000237828899 970376468 /nfs/dbraw/zinc/37/64/68/970376468.db2.gz FUJYWNXQGVPVIM-UHFFFAOYSA-N 0 3 404.432 3.844 20 30 HHEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000195548627 970505526 /nfs/dbraw/zinc/50/55/26/970505526.db2.gz KMOKNHYYRVFLOG-UHFFFAOYSA-N 0 3 421.438 3.969 20 30 HHEDHN COc1nn(C)c2nc(C)c(CCC(=O)C(C#N)c3nc4ccccc4o3)c(C)c12 ZINC000195557137 970511018 /nfs/dbraw/zinc/51/10/18/970511018.db2.gz WJGGHJFJDODRBN-OAHLLOKOSA-N 0 3 403.442 3.544 20 30 HHEDHN N#Cc1ccc(Br)cc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404215816 972882970 /nfs/dbraw/zinc/88/29/70/972882970.db2.gz XJBDIFWHOCQZFH-SFTDATJTSA-N 0 3 412.331 3.800 20 30 HHEDHN N#Cc1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)ccc1C(F)(F)F ZINC000409556274 973010944 /nfs/dbraw/zinc/01/09/44/973010944.db2.gz WYBPOFZUDPYVSW-UHFFFAOYSA-N 0 3 423.460 3.651 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000426957623 974778354 /nfs/dbraw/zinc/77/83/54/974778354.db2.gz UHNHNVPBNGSYFN-BJKOFHAPSA-N 0 3 420.557 3.769 20 30 HHEDHN COCCN1c2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000427970280 975370712 /nfs/dbraw/zinc/37/07/12/975370712.db2.gz YMDBESRTOCMOLF-UHFFFAOYSA-N 0 3 418.541 3.560 20 30 HHEDHN N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(CN4CC[C@H](O)C4)c3)cc2)nc1 ZINC000428531246 975825418 /nfs/dbraw/zinc/82/54/18/975825418.db2.gz FKEDKPSXSOZJCG-NRFANRHFSA-N 0 3 414.465 3.564 20 30 HHEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000429024997 976308017 /nfs/dbraw/zinc/30/80/17/976308017.db2.gz AZWZXVHFHXCADN-KRWDZBQOSA-N 0 3 414.937 3.752 20 30 HHEDHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000429395040 976669583 /nfs/dbraw/zinc/66/95/83/976669583.db2.gz AYFOSXMGVXPVHS-ILBGXUMGSA-N 0 3 412.622 3.706 20 30 HHEDHN CC(C)N1CC[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429792828 977071853 /nfs/dbraw/zinc/07/18/53/977071853.db2.gz VCMYMJNLNJLTQY-PZJWPPBQSA-N 0 3 420.960 3.935 20 30 HHEDHN C=CCN1C(=O)N(C[C@@H](c2ccccc2)N2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430949318 977908839 /nfs/dbraw/zinc/90/88/39/977908839.db2.gz CCOIEPRHZIQKKN-GOTSBHOMSA-N 0 3 403.526 3.885 20 30 HHEDHN CN1CCN(Cc2ccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000431817896 978535248 /nfs/dbraw/zinc/53/52/48/978535248.db2.gz LCPQXBGMLOLWJY-XMMPIXPASA-N 0 3 419.573 3.668 20 30 HHEDHN N#CCCC[C@H](NCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000433010756 979041039 /nfs/dbraw/zinc/04/10/39/979041039.db2.gz LPKPYVMSEFBBOB-IOFSEFHDSA-N 0 3 408.546 3.806 20 30 HHEDHN N#CCCC[C@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000433019231 979043810 /nfs/dbraw/zinc/04/38/10/979043810.db2.gz MFUFXMGNJGUNRL-IBGZPJMESA-N 0 3 422.485 3.521 20 30 HHEDHN CCCC(=O)Nc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433336603 979246351 /nfs/dbraw/zinc/24/63/51/979246351.db2.gz AAPFXDJKJRISFE-UHFFFAOYSA-N 0 3 402.502 3.887 20 30 HHEDHN Cc1nccn1-c1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1F ZINC000433343603 979251307 /nfs/dbraw/zinc/25/13/07/979251307.db2.gz OKVAGMMNLLSDJP-UHFFFAOYSA-N 0 3 415.476 3.782 20 30 HHEDHN N#CC(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nnc2n1CCCCC2 ZINC000434622213 980303639 /nfs/dbraw/zinc/30/36/39/980303639.db2.gz BSWSZVKULSWGMA-OAHLLOKOSA-N 0 3 409.396 3.960 20 30 HHEDHN CCN1CCN(c2cccc(NCc3cn(CCC#N)nc3-c3ccncc3)c2)CC1 ZINC000434982635 980548409 /nfs/dbraw/zinc/54/84/09/980548409.db2.gz MOTQQOMEMLHHDS-UHFFFAOYSA-N 0 3 415.545 3.613 20 30 HHEDHN CCN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(OC)c(OC)c1 ZINC000435131279 980662224 /nfs/dbraw/zinc/66/22/24/980662224.db2.gz COCZSBDZUKGWFR-UHFFFAOYSA-N 0 3 405.502 3.898 20 30 HHEDHN N#CCCn1cc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435132555 980664023 /nfs/dbraw/zinc/66/40/23/980664023.db2.gz KEEKCVYRRFZRKM-FQEVSTJZSA-N 0 3 414.513 3.709 20 30 HHEDHN CCn1c(Cc2ccccc2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460319334 982097327 /nfs/dbraw/zinc/09/73/27/982097327.db2.gz UNZSEEABTIGCDM-UHFFFAOYSA-N 0 3 414.557 3.781 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000437984722 982506159 /nfs/dbraw/zinc/50/61/59/982506159.db2.gz HYXNCSBMNAQCBU-HKUYNNGSSA-N 0 3 424.383 3.504 20 30 HHEDHN CCOc1cccc2[nH]cc(CC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c21 ZINC000438056448 982557574 /nfs/dbraw/zinc/55/75/74/982557574.db2.gz MPFMLIZNSHWZRD-UHFFFAOYSA-N 0 3 404.514 3.571 20 30 HHEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000460886038 982624371 /nfs/dbraw/zinc/62/43/71/982624371.db2.gz UPHAJBIATKZDJS-KXBFYZLASA-N 0 3 419.367 3.747 20 30 HHEDHN N#Cc1cccnc1OC1CCC(NCc2cc(O)ccc2Br)CC1 ZINC000438475873 982824753 /nfs/dbraw/zinc/82/47/53/982824753.db2.gz NNOYRGBRGMFYJI-UHFFFAOYSA-N 0 3 402.292 3.901 20 30 HHEDHN CC(C)C1CCC(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)CC1 ZINC000438557438 982899543 /nfs/dbraw/zinc/89/95/43/982899543.db2.gz LDVNNGCIMANINE-UHFFFAOYSA-N 0 3 402.970 3.983 20 30 HHEDHN CN1CCN(CCCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000438836027 983105159 /nfs/dbraw/zinc/10/51/59/983105159.db2.gz DRHUHHSERAPGBY-RPWUZVMVSA-N 0 3 419.573 3.709 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@@H](OCc3ccncc3)C1)CCCC2 ZINC000439007672 983206419 /nfs/dbraw/zinc/20/64/19/983206419.db2.gz VBWCVDRLARTUPO-QGZVFWFLSA-N 0 3 410.543 3.513 20 30 HHEDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000439116366 983257409 /nfs/dbraw/zinc/25/74/09/983257409.db2.gz JYGVPNMFASXNAS-UHFFFAOYSA-N 0 3 400.866 3.632 20 30 HHEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000439239176 983325412 /nfs/dbraw/zinc/32/54/12/983325412.db2.gz UBESOELXCGZNHE-GOSISDBHSA-N 0 3 417.962 3.744 20 30 HHEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000439769366 983531384 /nfs/dbraw/zinc/53/13/84/983531384.db2.gz VFLXEQGHZXLHQJ-LJQANCHMSA-N 0 3 406.530 3.844 20 30 HHEDHN COc1cccc(C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000442291940 984794438 /nfs/dbraw/zinc/79/44/38/984794438.db2.gz NJXVMOZMWDHDLD-UHFFFAOYSA-N 0 3 408.546 3.618 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000461903487 984921441 /nfs/dbraw/zinc/92/14/41/984921441.db2.gz UOLUPSSCOTZVBN-OAQYLSRUSA-N 0 3 404.558 3.689 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000462190517 985172848 /nfs/dbraw/zinc/17/28/48/985172848.db2.gz LXHYKBOFEZWFQB-FDDCHVKYSA-N 0 3 412.493 3.996 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463017917 985975243 /nfs/dbraw/zinc/97/52/43/985975243.db2.gz YFUDWWKDUDBJPG-NTKDMRAZSA-N 0 3 418.541 3.632 20 30 HHEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccc(Br)cc1OCCCO ZINC000463361503 986327646 /nfs/dbraw/zinc/32/76/46/986327646.db2.gz MBEIYVRPVVPDFQ-OAHLLOKOSA-N 0 3 419.319 3.812 20 30 HHEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccc(Br)cc1OCCCO ZINC000463364240 986330276 /nfs/dbraw/zinc/33/02/76/986330276.db2.gz CTQGMLRGKHDICJ-HNNXBMFYSA-N 0 3 419.319 3.812 20 30 HHEDHN CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(C)(C)C ZINC000463374121 986340611 /nfs/dbraw/zinc/34/06/11/986340611.db2.gz ZDEYVLNSPNICLS-KRWDZBQOSA-N 0 3 400.567 3.724 20 30 HHEDHN N#CCCCOc1cccc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1 ZINC000468775534 986487741 /nfs/dbraw/zinc/48/77/41/986487741.db2.gz BHVQPXNMRAOGHP-QFIPXVFZSA-N 0 3 413.468 3.928 20 30 HHEDHN C[C@@H]1CN(CC2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)C[C@H](C)O1 ZINC000468784543 986496554 /nfs/dbraw/zinc/49/65/54/986496554.db2.gz BQMHBONIVZQDCA-BGYRXZFFSA-N 0 3 422.573 3.906 20 30 HHEDHN Cc1nc(SCC(=O)Nc2cccc(CN3CCC(O)CC3)c2)c(C#N)c(C)c1C ZINC000444459016 986641898 /nfs/dbraw/zinc/64/18/98/986641898.db2.gz GTTSUXZSKZICCK-UHFFFAOYSA-N 0 3 424.570 3.566 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Br)c1F ZINC000469238843 986959315 /nfs/dbraw/zinc/95/93/15/986959315.db2.gz SBUBPKNHQMTDCL-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)CC1 ZINC000444998465 987128089 /nfs/dbraw/zinc/12/80/89/987128089.db2.gz QYHKLZJHGLHTJG-UHFFFAOYSA-N 0 3 424.467 3.690 20 30 HHEDHN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000464965757 989265745 /nfs/dbraw/zinc/26/57/45/989265745.db2.gz VMODMIGNKJTQFA-OAQYLSRUSA-N 0 3 420.557 3.579 20 30 HHEDHN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000464965757 989265754 /nfs/dbraw/zinc/26/57/54/989265754.db2.gz VMODMIGNKJTQFA-OAQYLSRUSA-N 0 3 420.557 3.579 20 30 HHEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000464977362 989278439 /nfs/dbraw/zinc/27/84/39/989278439.db2.gz AIDLXLDWHKUXRC-QFIPXVFZSA-N 0 3 407.514 3.842 20 30 HHEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000471601137 989803749 /nfs/dbraw/zinc/80/37/49/989803749.db2.gz HOZAVXUJKGUCOX-UHFFFAOYSA-N 0 3 406.574 3.722 20 30 HHEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000465534379 989896797 /nfs/dbraw/zinc/89/67/97/989896797.db2.gz QEEZNQCIRPSEHT-ZEQRLZLVSA-N 0 3 402.542 3.916 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OCCC)cc2OC(F)F)CC1 ZINC000471970783 990135876 /nfs/dbraw/zinc/13/58/76/990135876.db2.gz PVGOUITYGWXTQQ-UHFFFAOYSA-N 0 3 411.493 3.917 20 30 HHEDHN COc1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1OCCCC#N ZINC000466475585 991768159 /nfs/dbraw/zinc/76/81/59/991768159.db2.gz UNLZQPOADBTPHY-WIYYLYMNSA-N 0 3 407.514 3.657 20 30 HHEDHN Cc1nc(SCC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000467755811 993000310 /nfs/dbraw/zinc/00/03/10/993000310.db2.gz SRCLSCFNAGFJKN-FOIQADDNSA-N 0 3 408.571 3.750 20 30 HHEDHN C=C(C)[C@@H](NCCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000481626069 994490507 /nfs/dbraw/zinc/49/05/07/994490507.db2.gz XHCCRAAYHIGHNM-HXUWFJFHSA-N 0 3 410.486 3.501 20 30 HHEDHN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc(N2CCN(C(C)C)CC2)c1 ZINC000481668697 994528427 /nfs/dbraw/zinc/52/84/27/994528427.db2.gz UDQUJTDWDSKETB-LJQANCHMSA-N 0 3 406.530 3.803 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccco1 ZINC000481759972 994612015 /nfs/dbraw/zinc/61/20/15/994612015.db2.gz ISTCFNZICBJELG-IRXDYDNUSA-N 0 3 417.579 3.585 20 30 HHEDHN COc1ccc(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000473722768 994615955 /nfs/dbraw/zinc/61/59/55/994615955.db2.gz OEQXGCAKNJJPQR-UHFFFAOYSA-N 0 3 414.937 3.536 20 30 HHEDHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482495368 995505502 /nfs/dbraw/zinc/50/55/02/995505502.db2.gz IJXOHDWYAJJCHI-FYYLOGMGSA-N 0 3 408.498 3.680 20 30 HHEDHN CC(C)OCCN1CCC(NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000474865888 995762390 /nfs/dbraw/zinc/76/23/90/995762390.db2.gz AMRFBUXQEGXPCG-UHFFFAOYSA-N 0 3 421.541 3.756 20 30 HHEDHN C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000483016309 995921110 /nfs/dbraw/zinc/92/11/10/995921110.db2.gz PQZOAJOLFAXPBP-PXDATVDWSA-N 0 3 416.569 3.576 20 30 HHEDHN N#CC(C(=O)c1cc(Br)c2c(c1)OCCO2)c1cnc2ccccc2n1 ZINC000483233908 996051496 /nfs/dbraw/zinc/05/14/96/996051496.db2.gz VCWHWXHOUMXABM-LBPRGKRZSA-N 0 3 410.227 3.654 20 30 HHEDHN N#Cc1ccc(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000475805423 996382577 /nfs/dbraw/zinc/38/25/77/996382577.db2.gz PBCBSCRBOQKKOG-YQQQUEKLSA-N 0 3 415.946 3.686 20 30 HHEDHN CN(C)c1cc(C#N)cc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000483797615 996394710 /nfs/dbraw/zinc/39/47/10/996394710.db2.gz HTJCDSBBDPRNES-NRFANRHFSA-N 0 3 414.513 3.520 20 30 HHEDHN N#CC[C@@H](CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000475919338 996471587 /nfs/dbraw/zinc/47/15/87/996471587.db2.gz VXAAONIQAYZLDA-NRFANRHFSA-N 0 3 404.514 3.538 20 30 HHEDHN CC[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1ccccc1F ZINC000483984157 996505786 /nfs/dbraw/zinc/50/57/86/996505786.db2.gz SKKCAKKFGBABEA-FQEVSTJZSA-N 0 3 412.509 3.628 20 30 HHEDHN N#CC1(CS(=O)(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCCCC1 ZINC000476340527 996765491 /nfs/dbraw/zinc/76/54/91/996765491.db2.gz TUHXKMKLRSRKGF-QHCPKHFHSA-N 0 3 415.603 3.778 20 30 HHEDHN CC(C)([C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000484552367 996883966 /nfs/dbraw/zinc/88/39/66/996883966.db2.gz LXNAYNPBYLMDPF-JOCHJYFZSA-N 0 3 412.484 3.980 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000484672409 997011336 /nfs/dbraw/zinc/01/13/36/997011336.db2.gz VYDJDRTYCVOEPI-UHFFFAOYSA-N 0 3 417.535 3.702 20 30 HHEDHN COCCN1CCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000477138392 997795465 /nfs/dbraw/zinc/79/54/65/997795465.db2.gz WSSPIRLTAIHDSI-QHCPKHFHSA-N 0 3 424.520 3.520 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCO3)c(OC)c1 ZINC000477461261 998173979 /nfs/dbraw/zinc/17/39/79/998173979.db2.gz AWNHQUVGNQIPMM-PMACEKPBSA-N 0 3 411.498 3.729 20 30 HHEDHN C=CCOc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000477535616 998254011 /nfs/dbraw/zinc/25/40/11/998254011.db2.gz VZKXBUHUIRJWHM-UHFFFAOYSA-N 0 3 403.473 3.803 20 30 HHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000486233651 998665538 /nfs/dbraw/zinc/66/55/38/998665538.db2.gz PYFGKLMASJDFQA-SFHVURJKSA-N 0 3 400.592 3.970 20 30 HHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000478273030 998856899 /nfs/dbraw/zinc/85/68/99/998856899.db2.gz MIVONEUSJVEYII-ROUUACIJSA-N 0 3 424.570 3.656 20 30 HHEDHN CN(C)C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(F)cc1 ZINC000487930137 999319440 /nfs/dbraw/zinc/31/94/40/999319440.db2.gz BNXFYMOYWOQALJ-KRWDZBQOSA-N 0 3 405.271 3.884 20 30 HHEDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488476583 999500021 /nfs/dbraw/zinc/50/00/21/999500021.db2.gz GYHLTYUMGQAJAA-RBUKOAKNSA-N 0 3 424.526 3.728 20 30 HHEDHN C=CCN1CCC(NC(=O)NCC2(c3ccccc3Br)CCC2)CC1 ZINC000488811624 999615906 /nfs/dbraw/zinc/61/59/06/999615906.db2.gz CFQMQPKDFLSMSY-UHFFFAOYSA-N 0 3 406.368 3.820 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCc3c(Br)cc(C)cc3C2)CC1 ZINC000488896416 999639859 /nfs/dbraw/zinc/63/98/59/999639859.db2.gz JEKSTBCUTPMBSR-UHFFFAOYSA-N 0 3 406.368 3.866 20 30 HHEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000488922249 999647969 /nfs/dbraw/zinc/64/79/69/999647969.db2.gz VOSIXBTVEOKQJM-HXUWFJFHSA-N 0 3 403.526 3.803 20 30 HHEDHN Cc1csc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1Br ZINC000489162668 999714446 /nfs/dbraw/zinc/71/44/46/999714446.db2.gz YSCHWPFPLVULQG-UHFFFAOYSA-N 0 3 406.349 3.895 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc(OC)c1OC ZINC000489296431 999739575 /nfs/dbraw/zinc/73/95/75/999739575.db2.gz ZKZKEDCNRQSORC-JTSKRJEESA-N 0 3 411.546 3.923 20 30 HHEDHN C=CCn1c(SC[C@@H](O)CN2CCc3ccccc3C2)nnc1-c1ccccc1C ZINC000480416820 999793643 /nfs/dbraw/zinc/79/36/43/999793643.db2.gz MYNAEWJPQLMXGY-NRFANRHFSA-N 0 3 420.582 3.951 20 30 HHEDHN C=C(C)CN1CCC(N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491036574 1000037823 /nfs/dbraw/zinc/03/78/23/1000037823.db2.gz MQOHFCXGSZSUGQ-QHCPKHFHSA-N 0 3 416.562 3.949 20 30 HHEDHN Cn1cc(CN2CCC(NC(=O)CC3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491105163 1000045768 /nfs/dbraw/zinc/04/57/68/1000045768.db2.gz AUAUXAFGMMOXHS-UHFFFAOYSA-N 0 3 405.546 3.620 20 30 HHEDHN COC(=O)C1(c2ccccc2)CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000491135181 1000048711 /nfs/dbraw/zinc/04/87/11/1000048711.db2.gz FXFIRVNDFSUMIG-UHFFFAOYSA-N 0 3 414.509 3.666 20 30 HHEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[C@@H]2C1 ZINC000492183097 1000114307 /nfs/dbraw/zinc/11/43/07/1000114307.db2.gz XZQWOULPRJSGHW-GHTZIAJQSA-N 0 3 408.477 3.834 20 30 HHEDHN N#Cc1ccc(OCCNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000494563091 1000556187 /nfs/dbraw/zinc/55/61/87/1000556187.db2.gz MSFFJVQSRXOAHJ-UHFFFAOYSA-N 0 3 400.404 3.990 20 30 HHEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@@H](OCC4CC4)C3)sc2C1 ZINC000494656197 1000591497 /nfs/dbraw/zinc/59/14/97/1000591497.db2.gz UKKZGWXWRZSCLY-DOTOQJQBSA-N 0 3 401.576 3.964 20 30 HHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@@H](OCC4CC4)C3)sc2C1 ZINC000494656198 1000591546 /nfs/dbraw/zinc/59/15/46/1000591546.db2.gz UKKZGWXWRZSCLY-NVXWUHKLSA-N 0 3 401.576 3.964 20 30 HHEDHN CC(C)(C)OC(=O)[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495082241 1000819679 /nfs/dbraw/zinc/81/96/79/1000819679.db2.gz WUODOPOWRWMIMU-OAHLLOKOSA-N 0 3 417.575 3.881 20 30 HHEDHN N#CCCn1cc(CN2CCC(NC(=O)c3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000506270916 1001320487 /nfs/dbraw/zinc/32/04/87/1001320487.db2.gz WHVGCFSXAMXCLY-UHFFFAOYSA-N 0 3 413.525 3.858 20 30 HHEDHN CN(C)[C@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)c1ccc(F)cc1 ZINC000507000587 1001757537 /nfs/dbraw/zinc/75/75/37/1001757537.db2.gz DYQRHYDHEPMJEZ-LJQANCHMSA-N 0 3 400.404 3.984 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cccc(Br)c1 ZINC000498380082 1001809928 /nfs/dbraw/zinc/80/99/28/1001809928.db2.gz AHLCSHYFYPCFCZ-UHFFFAOYSA-N 0 3 414.347 3.844 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(OC(F)F)cc1 ZINC000498382064 1001811984 /nfs/dbraw/zinc/81/19/84/1001811984.db2.gz JMQKPZIVTZVWOI-UHFFFAOYSA-N 0 3 401.457 3.683 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000507210862 1001898957 /nfs/dbraw/zinc/89/89/57/1001898957.db2.gz LBIOCWMNICFSHV-FQEVSTJZSA-N 0 3 413.468 3.698 20 30 HHEDHN Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000507401729 1002050100 /nfs/dbraw/zinc/05/01/00/1002050100.db2.gz LOQDXGZJLUZAQZ-JTSKRJEESA-N 0 3 404.514 3.677 20 30 HHEDHN C/C=C\c1ccc(OC[C@@H](O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000507850835 1002389716 /nfs/dbraw/zinc/38/97/16/1002389716.db2.gz YWTSKPNQYMTKDJ-YOXWTLATSA-N 0 3 422.525 3.883 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cccc(Br)c1 ZINC000499044207 1002423974 /nfs/dbraw/zinc/42/39/74/1002423974.db2.gz QNUXMPHBANVVSW-UHFFFAOYSA-N 0 3 414.347 3.844 20 30 HHEDHN COc1ccc(C[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c2ccc(OC)cc2)cc1 ZINC000499047526 1002428565 /nfs/dbraw/zinc/42/85/65/1002428565.db2.gz HIAQZQWFJUOXPF-VWNXMTODSA-N 0 3 409.530 3.632 20 30 HHEDHN CCN(Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508603635 1003058939 /nfs/dbraw/zinc/05/89/39/1003058939.db2.gz JTPBVQMTSQCVCO-AWEZNQCLSA-N 0 3 401.894 3.667 20 30 HHEDHN CCN(Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508603636 1003059116 /nfs/dbraw/zinc/05/91/16/1003059116.db2.gz JTPBVQMTSQCVCO-CQSZACIVSA-N 0 3 401.894 3.667 20 30 HHEDHN C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CCCC2)CC1 ZINC000508828056 1003250483 /nfs/dbraw/zinc/25/04/83/1003250483.db2.gz OEEZWXJXJWKMJC-UHFFFAOYSA-N 0 3 401.942 3.858 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000509081835 1003539567 /nfs/dbraw/zinc/53/95/67/1003539567.db2.gz UVQSWSZOXIGKFM-PXDATVDWSA-N 0 3 406.526 3.857 20 30 HHEDHN C=CCN(Cc1ccccc1)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000500630374 1003845684 /nfs/dbraw/zinc/84/56/84/1003845684.db2.gz KFOVMMNMUBNHLX-UHFFFAOYSA-N 0 3 406.574 3.722 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@H](CO)c1cccc(Br)c1 ZINC000501424782 1004412600 /nfs/dbraw/zinc/41/26/00/1004412600.db2.gz JVBAHXRJWFAYIX-WOJBJXKFSA-N 0 3 420.347 3.583 20 30 HHEDHN N#Cc1ncn(CCNCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)n1 ZINC000512899275 1004667995 /nfs/dbraw/zinc/66/79/95/1004667995.db2.gz QITSNXGNDWAQRA-UHFFFAOYSA-N 0 3 409.453 3.538 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000510569076 1004713391 /nfs/dbraw/zinc/71/33/91/1004713391.db2.gz IGDRYCSCWYPYRH-QHCPKHFHSA-N 0 3 422.529 3.712 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(Br)s1 ZINC000510726138 1004818661 /nfs/dbraw/zinc/81/86/61/1004818661.db2.gz TZZNEXZWKMWNLR-UHFFFAOYSA-N 0 3 406.349 3.515 20 30 HHEDHN CN(C(=O)CN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)C1(C#N)CCCCC1 ZINC000513187641 1004851748 /nfs/dbraw/zinc/85/17/48/1004851748.db2.gz FAWGYXYZTKLNKG-FQEVSTJZSA-N 0 3 423.479 3.681 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(Cc2ccccc2)n1 ZINC000513470685 1004980557 /nfs/dbraw/zinc/98/05/57/1004980557.db2.gz HBWRHSORLONPJO-UHFFFAOYSA-N 0 3 404.539 3.810 20 30 HHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000513724893 1005097162 /nfs/dbraw/zinc/09/71/62/1005097162.db2.gz KAZRGHMHFREUCR-UZUQRXQVSA-N 0 3 413.541 3.534 20 30 HHEDHN C[C@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)N(C)Cc1ccccc1 ZINC000511673917 1005271279 /nfs/dbraw/zinc/27/12/79/1005271279.db2.gz WNTBLMQOVKAWNS-GOSISDBHSA-N 0 3 408.521 3.550 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511732023 1005297094 /nfs/dbraw/zinc/29/70/94/1005297094.db2.gz VJRANNWTHNANOU-QFIPXVFZSA-N 0 3 420.557 3.625 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511732023 1005297097 /nfs/dbraw/zinc/29/70/97/1005297097.db2.gz VJRANNWTHNANOU-QFIPXVFZSA-N 0 3 420.557 3.625 20 30 HHEDHN COC(=O)c1cc2cc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)ccc2o1 ZINC000515411864 1006449321 /nfs/dbraw/zinc/44/93/21/1006449321.db2.gz FVTAHTZGIVMHJR-UHFFFAOYSA-N 0 3 420.469 3.687 20 30 HHEDHN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000538390553 1006660769 /nfs/dbraw/zinc/66/07/69/1006660769.db2.gz BTRPGIYMQBZXMR-GAJHUEQPSA-N 0 3 405.498 3.834 20 30 HHEDHN C=CCC[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538391494 1006661677 /nfs/dbraw/zinc/66/16/77/1006661677.db2.gz GGIHVWXUBJFYEM-DNQXCXABSA-N 0 3 420.532 3.832 20 30 HHEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)CC1 ZINC000532351348 1006812881 /nfs/dbraw/zinc/81/28/81/1006812881.db2.gz MFWMBUKHUDUBCM-RBUKOAKNSA-N 0 3 415.607 3.713 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(-c2cccs2)n[nH]1 ZINC000538755573 1007041378 /nfs/dbraw/zinc/04/13/78/1007041378.db2.gz CIVOWFYDXNQDGV-UHFFFAOYSA-N 0 3 415.592 3.631 20 30 HHEDHN C[C@@](C#N)(CCc1ccccc1)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000532687291 1007101069 /nfs/dbraw/zinc/10/10/69/1007101069.db2.gz KVVZKFCHEKIYDE-VWLOTQADSA-N 0 3 404.558 3.620 20 30 HHEDHN COc1cccc(OC)c1OC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000532929901 1007303675 /nfs/dbraw/zinc/30/36/75/1007303675.db2.gz OZBNAKZJZHYNQI-UHFFFAOYSA-N 0 3 415.515 3.509 20 30 HHEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(OC)cc1OC ZINC000532935088 1007307669 /nfs/dbraw/zinc/30/76/69/1007307669.db2.gz KUGNQWKGKTXCCN-UHFFFAOYSA-N 0 3 413.543 3.976 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C[C@H](C)O)C2CCCCC2)c1C#N ZINC000532966127 1007332525 /nfs/dbraw/zinc/33/25/25/1007332525.db2.gz DKVCGOXWZXSTJV-INIZCTEOSA-N 0 3 412.534 3.572 20 30 HHEDHN C[C@H](N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)(C)C ZINC000533250281 1007568021 /nfs/dbraw/zinc/56/80/21/1007568021.db2.gz QESAGRUOFXPFIC-IRXDYDNUSA-N 0 3 400.567 3.722 20 30 HHEDHN CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccc2c(c1)OCCO2 ZINC000539278598 1007573242 /nfs/dbraw/zinc/57/32/42/1007573242.db2.gz DJZIZUZSHJODJP-HKUYNNGSSA-N 0 3 423.513 3.842 20 30 HHEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CNC2(c3ccccc3)CCCC2)CC1 ZINC000539489918 1007801019 /nfs/dbraw/zinc/80/10/19/1007801019.db2.gz ALNKZURUUWOZDO-HXUWFJFHSA-N 0 3 408.571 3.516 20 30 HHEDHN Cc1ccccc1[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C ZINC000539490951 1007802423 /nfs/dbraw/zinc/80/24/23/1007802423.db2.gz JDFNBENSMHJXBX-NZQKXSOJSA-N 0 3 410.587 3.752 20 30 HHEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4cncn4)cc3)n2)cc1 ZINC000517800736 1007979190 /nfs/dbraw/zinc/97/91/90/1007979190.db2.gz FPBKJGHXFZOPOK-GOSISDBHSA-N 0 3 401.451 3.889 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000517998993 1008094289 /nfs/dbraw/zinc/09/42/89/1008094289.db2.gz VFLOKRBVROQPAY-LJQANCHMSA-N 0 3 401.942 3.503 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)c3ccc(Cl)c(C#N)c3)CC2)c1 ZINC000539784920 1008094955 /nfs/dbraw/zinc/09/49/55/1008094955.db2.gz BMHOFDWELBDKGZ-UHFFFAOYSA-N 0 3 410.949 3.852 20 30 HHEDHN C=CCN1CCC(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000518016651 1008105950 /nfs/dbraw/zinc/10/59/50/1008105950.db2.gz NPVYRUVXYVFSPX-IBGZPJMESA-N 0 3 408.949 3.566 20 30 HHEDHN C=CCc1cc(CN(CC=C)[C@H](C)c2cccc(-n3cnnn3)c2)cc(OC)c1O ZINC000539832782 1008126085 /nfs/dbraw/zinc/12/60/85/1008126085.db2.gz ZOBNIQFKOVAMNE-QGZVFWFLSA-N 0 3 405.502 3.854 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000518333309 1008265558 /nfs/dbraw/zinc/26/55/58/1008265558.db2.gz QWEIBJPXYCXZIF-UHFFFAOYSA-N 0 3 408.571 3.956 20 30 HHEDHN O=C(CN[C@H](c1ccccc1)[C@@H]1CCOC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000540389579 1008412752 /nfs/dbraw/zinc/41/27/52/1008412752.db2.gz PBXOVXOHPMDTEM-DENIHFKCSA-N 0 3 416.443 3.541 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)N[C@H](CN3CCCC3)c3ccccc3)n2)c(F)c1 ZINC000542962062 1008534959 /nfs/dbraw/zinc/53/49/59/1008534959.db2.gz QAORSBAEVDZOJB-HXUWFJFHSA-N 0 3 418.476 3.842 20 30 HHEDHN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549046019 1008613234 /nfs/dbraw/zinc/61/32/34/1008613234.db2.gz AMQQQYCOPHYRLU-RTBURBONSA-N 0 3 422.577 3.552 20 30 HHEDHN COc1ccc(C2(CNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)CCC2)cc1 ZINC000543375959 1008963503 /nfs/dbraw/zinc/96/35/03/1008963503.db2.gz RYSZNVUSFBUCMJ-UHFFFAOYSA-N 0 3 420.557 3.762 20 30 HHEDHN CS[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H]1N(C)C ZINC000546128275 1009153015 /nfs/dbraw/zinc/15/30/15/1009153015.db2.gz NYYCYZZPEISWHB-YADHBBJMSA-N 0 3 424.570 3.841 20 30 HHEDHN N#CCCn1cc(CNCc2cccc(N3CCOCC3)c2)c(-c2ccccc2)n1 ZINC000549831249 1009442036 /nfs/dbraw/zinc/44/20/36/1009442036.db2.gz SAGPWFKPZDQKSJ-UHFFFAOYSA-N 0 3 401.514 3.590 20 30 HHEDHN CN(CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)Cc1ccccc1 ZINC000543888621 1009466289 /nfs/dbraw/zinc/46/62/89/1009466289.db2.gz VHJDAGQHUFHOEL-UHFFFAOYSA-N 0 3 408.893 3.651 20 30 HHEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C[C@H]1CC=CCC1 ZINC000544106512 1009715744 /nfs/dbraw/zinc/71/57/44/1009715744.db2.gz OGXYTXRBFOAYOZ-OALUTQOASA-N 0 3 410.562 3.644 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000520698517 1009765657 /nfs/dbraw/zinc/76/56/57/1009765657.db2.gz SRWFUBYIZHSGNX-UHFFFAOYSA-N 0 3 424.520 3.918 20 30 HHEDHN N#C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1cccc(Cl)c1Cl ZINC000521293550 1010284377 /nfs/dbraw/zinc/28/43/77/1010284377.db2.gz XXOCQVHWOLLMJH-MAUKXSAKSA-N 0 3 403.313 3.981 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000521584180 1010481556 /nfs/dbraw/zinc/48/15/56/1010481556.db2.gz GCVJDPKQTSQUAU-UHFFFAOYSA-N 0 3 410.356 3.510 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000521585192 1010482247 /nfs/dbraw/zinc/48/22/47/1010482247.db2.gz WREJBDSDZUPATN-IBGZPJMESA-N 0 3 422.367 3.573 20 30 HHEDHN CCCN(CC(=O)N1CCCN(Cc2ccccc2C)CC1)Cc1ccc(C#N)cc1 ZINC000521589307 1010485846 /nfs/dbraw/zinc/48/58/46/1010485846.db2.gz XAVHENLRNDMSTA-UHFFFAOYSA-N 0 3 418.585 3.813 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000522107725 1010815643 /nfs/dbraw/zinc/81/56/43/1010815643.db2.gz UJUSBQLWHCLLMI-JOCHJYFZSA-N 0 3 423.557 3.896 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000522277583 1010900826 /nfs/dbraw/zinc/90/08/26/1010900826.db2.gz PNJZBXADEWXJJJ-QFIPXVFZSA-N 0 3 408.571 3.755 20 30 HHEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CN1Cc1ccccc1 ZINC000540979639 1011612233 /nfs/dbraw/zinc/61/22/33/1011612233.db2.gz JKDDIYJWVLIMQD-SJLPKXTDSA-N 0 3 418.476 3.668 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540981213 1011616754 /nfs/dbraw/zinc/61/67/54/1011616754.db2.gz LUCBEVAJIZSDDQ-WMZOPIPTSA-N 0 3 418.476 3.840 20 30 HHEDHN C=CCOc1ccc(C(=O)N2CCN(c3ccnc4ccccc43)CC2)cc1OC ZINC000552007219 1012044604 /nfs/dbraw/zinc/04/46/04/1012044604.db2.gz PYQGPVRAUSHZDQ-UHFFFAOYSA-N 0 3 403.482 3.771 20 30 HHEDHN CC(C)(C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1cc(F)cc(C#N)c1 ZINC000552091960 1012107775 /nfs/dbraw/zinc/10/77/75/1012107775.db2.gz CNWOJVMLDXTFMD-UHFFFAOYSA-N 0 3 409.505 3.818 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000536942843 1012239246 /nfs/dbraw/zinc/23/92/46/1012239246.db2.gz XBUVUSLTBZHVGZ-WOJBJXKFSA-N 0 3 408.949 3.564 20 30 HHEDHN CC(C)N1CCN(c2cccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c2)CC1 ZINC000552385323 1012396033 /nfs/dbraw/zinc/39/60/33/1012396033.db2.gz MZROATXCAWXSMH-UHFFFAOYSA-N 0 3 406.505 3.898 20 30 HHEDHN COc1ccc([C@@H](Cc2ccc(F)cc2)NCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000537074156 1012416289 /nfs/dbraw/zinc/41/62/89/1012416289.db2.gz WYNSTLAHNUXAGD-XMMPIXPASA-N 0 3 417.484 3.896 20 30 HHEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H](c2ccccc2)C2CCC2)CC1 ZINC000537249442 1012694889 /nfs/dbraw/zinc/69/48/89/1012694889.db2.gz UTJCATREPAFNBU-NFBKMPQASA-N 0 3 408.571 3.588 20 30 HHEDHN N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H](c3cccs3)N3CCCC3)C2)c(F)c1 ZINC000552707791 1012719606 /nfs/dbraw/zinc/71/96/06/1012719606.db2.gz RZLFQRHSIIIGLZ-FXAWDEMLSA-N 0 3 412.534 3.538 20 30 HHEDHN C=CCC[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537290220 1012748163 /nfs/dbraw/zinc/74/81/63/1012748163.db2.gz KOCRHWMWRJTUAL-LEWJYISDSA-N 0 3 408.571 3.754 20 30 HHEDHN CC(C)C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nc(-c2nc[n-]n2)no1 ZINC000537361323 1012832303 /nfs/dbraw/zinc/83/23/03/1012832303.db2.gz WUMQGSNYWIUBCI-WUZYXKQASA-N 0 3 405.506 3.936 20 30 HHEDHN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000542035137 1012934059 /nfs/dbraw/zinc/93/40/59/1012934059.db2.gz VNXBOYQIQHEFKP-IBGZPJMESA-N 0 3 420.904 3.793 20 30 HHEDHN Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)C(C#N)c3cc(C)nc(C)n3)c12 ZINC000537476547 1012984078 /nfs/dbraw/zinc/98/40/78/1012984078.db2.gz CIEYAABBCQJRKI-GOSISDBHSA-N 0 3 423.480 3.898 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000524211491 1013019672 /nfs/dbraw/zinc/01/96/72/1013019672.db2.gz LHJXWNQHAMAZHX-PKTZIBPZSA-N 0 3 406.530 3.552 20 30 HHEDHN C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001212039175 1071924278 /nfs/dbraw/zinc/92/42/78/1071924278.db2.gz OTZVTIQWPNSNEJ-QRWLVFNGSA-N 0 3 417.513 3.653 20 30 HHEDHN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588967140 1073362661 /nfs/dbraw/zinc/36/26/61/1073362661.db2.gz PYKMXAWPQADSMC-KBPBESRZSA-N 0 3 411.449 3.528 20 30 HHEDHN C=CCn1c2nnc(S[C@@H]3CCN(Cc4ccccc4)C3)n2c2ccccc2c1=O ZINC000555468484 1073534860 /nfs/dbraw/zinc/53/48/60/1073534860.db2.gz AHGRJTQCRDQKAF-GOSISDBHSA-N 0 3 417.538 3.597 20 30 HHEDHN N#CCCn1cc(CNCc2ccc(OC(F)F)c(F)c2)c(-c2ccncc2)n1 ZINC000555619714 1073686040 /nfs/dbraw/zinc/68/60/40/1073686040.db2.gz ANPJSOZKCRDFJD-UHFFFAOYSA-N 0 3 401.392 3.889 20 30 HHEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)CC1 ZINC000592068687 1074686774 /nfs/dbraw/zinc/68/67/74/1074686774.db2.gz SENNDRFNQVRZGX-LBPRGKRZSA-N 0 3 401.732 3.636 20 30 HHEDHN C=CCN1CCC(NC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000592068452 1074686789 /nfs/dbraw/zinc/68/67/89/1074686789.db2.gz LGLAWKRZZULZGM-HSZRJFAPSA-N 0 3 405.542 3.623 20 30 HHEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000760935996 1074700542 /nfs/dbraw/zinc/70/05/42/1074700542.db2.gz KOAXQBKWFWTXJC-CVEARBPZSA-N 0 3 413.543 3.916 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CC1 ZINC000592334295 1074730866 /nfs/dbraw/zinc/73/08/66/1074730866.db2.gz LCSCXGCQLZNBIE-UHFFFAOYSA-N 0 3 411.575 3.868 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)CC1 ZINC000592351991 1074734153 /nfs/dbraw/zinc/73/41/53/1074734153.db2.gz QAFQTPSCJNJIKJ-UHFFFAOYSA-N 0 3 409.534 3.666 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000592524179 1074781364 /nfs/dbraw/zinc/78/13/64/1074781364.db2.gz SXPROYIKTMHKRW-UHFFFAOYSA-N 0 3 410.493 3.528 20 30 HHEDHN Cc1cc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c(C)n1-c1ccc(C#N)cc1 ZINC000761000177 1075129063 /nfs/dbraw/zinc/12/90/63/1075129063.db2.gz KGIAKKZIMMYGLW-OAQYLSRUSA-N 0 3 414.509 3.935 20 30 HHEDHN C=CCN(Cc1cccc(C(=O)NCC(C)C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213369 1075544842 /nfs/dbraw/zinc/54/48/42/1075544842.db2.gz FDGIWFRHWVFYFW-LJQANCHMSA-N 0 3 418.545 3.797 20 30 HHEDHN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H]4NCCO[C@@H]4C3)cc2c1Cl ZINC001164390122 718826978 /nfs/dbraw/zinc/82/69/78/718826978.db2.gz MULOCYTYWNJVLZ-LSDHHAIUSA-N 0 3 413.255 3.525 20 30 HHEDHN N#Cc1c(Cl)c2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870215 721136801 /nfs/dbraw/zinc/13/68/01/721136801.db2.gz BWAOVBJTJWVCTQ-QZTJIDSGSA-N 0 3 419.916 3.635 20 30 HHEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164898537 721518020 /nfs/dbraw/zinc/51/80/20/721518020.db2.gz ILGVWXNOEPKPKS-FUHWJXTLSA-N 0 3 423.879 3.636 20 30 HHEDHN N#Cc1cc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c2ccccc2n1 ZINC000301394210 970905884 /nfs/dbraw/zinc/90/58/84/970905884.db2.gz DCNRENILWVGNCJ-FQEVSTJZSA-N 0 3 412.541 3.540 20 30 HHEDHN N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H](c4nc(C5CCCCC5)n[nH]4)C3)C2=O)cc1 ZINC000537561611 1013092452 /nfs/dbraw/zinc/09/24/52/1013092452.db2.gz HOSOZTADUNOYBA-TZIWHRDSSA-N 0 3 418.545 3.709 20 30 HHEDHN N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)C2=O)cc1 ZINC000537561611 1013092472 /nfs/dbraw/zinc/09/24/72/1013092472.db2.gz HOSOZTADUNOYBA-TZIWHRDSSA-N 0 3 418.545 3.709 20 30 HHEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537562417 1013094537 /nfs/dbraw/zinc/09/45/37/1013094537.db2.gz SLGYDTQIIGTSND-PKOBYXMFSA-N 0 3 412.582 3.763 20 30 HHEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537562387 1013095595 /nfs/dbraw/zinc/09/55/95/1013095595.db2.gz SLGYDTQIIGTSND-HKUYNNGSSA-N 0 3 412.582 3.763 20 30 HHEDHN C=CCN(Cc1c[nH]nc1-c1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629207 1013181448 /nfs/dbraw/zinc/18/14/48/1013181448.db2.gz ZULRRWSECHHIHX-INIZCTEOSA-N 0 3 403.465 3.941 20 30 HHEDHN CN(C)C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553219468 1013186473 /nfs/dbraw/zinc/18/64/73/1013186473.db2.gz YZVNPOPLPYAHNY-XLIONFOSSA-N 0 3 414.912 3.596 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000553334499 1013281281 /nfs/dbraw/zinc/28/12/81/1013281281.db2.gz PNBAXDAYDCJEJS-YKSBVNFPSA-N 0 3 407.514 3.699 20 30 HHEDHN C[C@H]1CN(CCC2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)C[C@H](C)O1 ZINC000553444095 1013358310 /nfs/dbraw/zinc/35/83/10/1013358310.db2.gz UBLLGNBTWVFCFK-HOTGVXAUSA-N 0 3 401.942 3.575 20 30 HHEDHN Cc1sc2nc([C@@H](C)N3CCCN(Cc4ccc(C#N)cc4)CC3)[nH]c(=O)c2c1C ZINC000021405053 963461038 /nfs/dbraw/zinc/46/10/38/963461038.db2.gz IQUHUPFXIIKZEB-MRXNPFEDSA-N 0 3 421.570 3.742 20 30 HHEDHN N#Cc1ccc(CN2CCCN(Cc3nc4c5ccccc5oc4c(=O)[nH]3)CC2)cc1 ZINC000021405551 963461071 /nfs/dbraw/zinc/46/10/71/963461071.db2.gz CTWNCBPBXHDEMU-UHFFFAOYSA-N 0 3 413.481 3.661 20 30 HHEDHN N#CCCN(C(=O)CN1CCCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000022808730 963720742 /nfs/dbraw/zinc/72/07/42/963720742.db2.gz MZWBTPPTTBKVEZ-UHFFFAOYSA-N 0 3 410.949 3.795 20 30 HHEDHN CC(C)([C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000542519374 1013463794 /nfs/dbraw/zinc/46/37/94/1013463794.db2.gz DZYIWYQUSOXWSY-QFIPXVFZSA-N 0 3 412.484 3.980 20 30 HHEDHN Cc1ccsc1[C@H](Cc1ccccc1)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000542523958 1013466575 /nfs/dbraw/zinc/46/65/75/1013466575.db2.gz DDPSSLDMKJECEH-FCHUYYIVSA-N 0 3 424.614 3.622 20 30 HHEDHN COC(=O)C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000542532480 1013476005 /nfs/dbraw/zinc/47/60/05/1013476005.db2.gz QXCKEBNIYYYSPA-SUMWQHHRSA-N 0 3 403.548 3.537 20 30 HHEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000052993704 965036217 /nfs/dbraw/zinc/03/62/17/965036217.db2.gz GNRGTUZAQWICOB-GOSISDBHSA-N 0 3 411.889 3.972 20 30 HHEDHN Cc1nc(SCC(=O)NC[C@H](c2ccccc2)N2CCCC2)c(C#N)c(C)c1C ZINC000057924080 965583844 /nfs/dbraw/zinc/58/38/44/965583844.db2.gz XHKZPGWRHWJEKZ-OAQYLSRUSA-N 0 3 408.571 3.924 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000058580536 965793065 /nfs/dbraw/zinc/79/30/65/965793065.db2.gz FDLGYAPWLDWTMM-HSZRJFAPSA-N 0 3 401.510 3.663 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000055388340 965837835 /nfs/dbraw/zinc/83/78/35/965837835.db2.gz XBTDPCZDGLSPBH-UHFFFAOYSA-N 0 3 416.481 3.608 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1cc(Cl)ccc1Cl ZINC000060575926 966212370 /nfs/dbraw/zinc/21/23/70/966212370.db2.gz QQTPHOBKEDAHHS-UHFFFAOYSA-N 0 3 406.313 3.834 20 30 HHEDHN C=C(C)COc1cc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)ccc1OC ZINC000060950048 966334222 /nfs/dbraw/zinc/33/42/22/966334222.db2.gz PQYKINBBNILWJY-INIZCTEOSA-N 0 3 404.532 3.872 20 30 HHEDHN C=CCn1c(Cc2ccccc2)nnc1SC[C@@H](O)CN1CCc2ccccc2C1 ZINC000065510857 967499123 /nfs/dbraw/zinc/49/91/23/967499123.db2.gz QHDCFHHTXZMWDM-QFIPXVFZSA-N 0 3 420.582 3.566 20 30 HHEDHN C=CCC[C@H](NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000538193419 1013750612 /nfs/dbraw/zinc/75/06/12/1013750612.db2.gz CGANNDCNKHSORX-QHCPKHFHSA-N 0 3 411.590 3.925 20 30 HHEDHN C=CCC[C@H](NCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccccc1 ZINC000538259397 1013801607 /nfs/dbraw/zinc/80/16/07/1013801607.db2.gz GMPGHBYOKAXTIZ-VXKWHMMOSA-N 0 3 418.603 3.632 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000065930795 968720772 /nfs/dbraw/zinc/72/07/72/968720772.db2.gz AOGBZKILMTYUIT-UHFFFAOYSA-N 0 3 405.420 3.703 20 30 HHEDHN C=CCc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc(OC)c1OC ZINC000065938626 968729237 /nfs/dbraw/zinc/72/92/37/968729237.db2.gz GUMZVIHYWRJYPJ-UHFFFAOYSA-N 0 3 418.484 3.915 20 30 HHEDHN C=CCc1cc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cc(OC)c1OC ZINC000065939913 968730357 /nfs/dbraw/zinc/73/03/57/968730357.db2.gz GRTIBDKAFNDOKM-UHFFFAOYSA-N 0 3 400.494 3.775 20 30 HHEDHN C[C@H](SCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000097404353 969133244 /nfs/dbraw/zinc/13/32/44/969133244.db2.gz DQQLIDHTBFFLMI-KRWDZBQOSA-N 0 3 421.570 3.819 20 30 HHEDHN COc1cccc([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)N2CCCC2)c1 ZINC000554234289 1013865396 /nfs/dbraw/zinc/86/53/96/1013865396.db2.gz VBCYUKJVQQBGSB-QFIPXVFZSA-N 0 3 404.514 3.692 20 30 HHEDHN Cc1noc([C@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C2)n1 ZINC000110985511 969754398 /nfs/dbraw/zinc/75/43/98/969754398.db2.gz OIJSRYDWLOEWDD-HIFRSBDPSA-N 0 3 413.547 3.644 20 30 HHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111039755 969764677 /nfs/dbraw/zinc/76/46/77/969764677.db2.gz NQBPOMRYTZIPEY-MRXNPFEDSA-N 0 3 405.477 3.979 20 30 HHEDHN N#CC(C(=O)COCCc1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000138652025 970006617 /nfs/dbraw/zinc/00/66/17/970006617.db2.gz IDINUYIFWBMZID-QGZVFWFLSA-N 0 3 404.438 3.908 20 30 HHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCOc2ccccc2Cl)cc1OC ZINC000140362443 970073720 /nfs/dbraw/zinc/07/37/20/970073720.db2.gz YGEIVPGBMHKQPP-OAHLLOKOSA-N 0 3 416.861 3.864 20 30 HHEDHN N#CC(C(=O)CSCc1ccc(Br)cc1F)C(=O)NC1CCCC1 ZINC000140423596 970076319 /nfs/dbraw/zinc/07/63/19/970076319.db2.gz GDDKNDBVZUYRJC-CQSZACIVSA-N 0 3 413.312 3.589 20 30 HHEDHN C=CCc1cc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc(OC)c1OC ZINC000237403344 970278391 /nfs/dbraw/zinc/27/83/91/970278391.db2.gz UYEJBMJPUMXOGS-UHFFFAOYSA-N 0 3 421.497 3.883 20 30 HHEDHN [NH2+]=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305062721 972608663 /nfs/dbraw/zinc/60/86/63/972608663.db2.gz HAPMMLMHJBTNKW-UHFFFAOYSA-N 0 3 404.186 3.980 20 30 HHEDHN N#Cc1ccc(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000426125600 974248489 /nfs/dbraw/zinc/24/84/89/974248489.db2.gz BFHHDGLOHALTKB-UHFFFAOYSA-N 0 3 411.937 3.541 20 30 HHEDHN C=CCN(C)Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2OC)c(OC)c1 ZINC000428382784 975704348 /nfs/dbraw/zinc/70/43/48/975704348.db2.gz SGPPRZQFGUXCFO-UHFFFAOYSA-N 0 3 404.894 3.993 20 30 HHEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429004023 976284285 /nfs/dbraw/zinc/28/42/85/976284285.db2.gz QHVRNWRKPFYSLK-DEOSSOPVSA-N 0 3 420.557 3.771 20 30 HHEDHN CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000429036523 976320370 /nfs/dbraw/zinc/32/03/70/976320370.db2.gz SVEGBTIZIGWNSV-QFIPXVFZSA-N 0 3 406.530 3.900 20 30 HHEDHN CC(C)N1CC[C@@H](NCC(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429792826 977071691 /nfs/dbraw/zinc/07/16/91/977071691.db2.gz VCMYMJNLNJLTQY-CTNGQTDRSA-N 0 3 420.960 3.935 20 30 HHEDHN C=CCn1c(SC[C@H]2CN(Cc3ccccc3)CCCO2)nnc1-c1ccncc1 ZINC000430097765 977317807 /nfs/dbraw/zinc/31/78/07/977317807.db2.gz BZYQYVOJFUMMGG-OAQYLSRUSA-N 0 3 421.570 3.909 20 30 HHEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)nc1 ZINC000430171335 977366774 /nfs/dbraw/zinc/36/67/74/977366774.db2.gz SRGLTXBCAFBGED-SFHVURJKSA-N 0 3 413.403 3.811 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1)[C@@H]1CCCN(C)C1 ZINC000430588947 977646323 /nfs/dbraw/zinc/64/63/23/977646323.db2.gz BIRZNWZDOWETBU-HXUWFJFHSA-N 0 3 422.554 3.721 20 30 HHEDHN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430619873 977657331 /nfs/dbraw/zinc/65/73/31/977657331.db2.gz BLOJPTWKDBQBOQ-INIZCTEOSA-N 0 3 417.556 3.779 20 30 HHEDHN Cc1c(Br)cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c(=O)n1C ZINC000430630108 977660922 /nfs/dbraw/zinc/66/09/22/977660922.db2.gz REUSLCNTDTYTKQ-LLVKDONJSA-N 0 3 408.321 3.700 20 30 HHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](Oc4ccncc4)C3)sc2C1 ZINC000431610384 978383041 /nfs/dbraw/zinc/38/30/41/978383041.db2.gz PXSRRPKXSLUTLK-WBVHZDCISA-N 0 3 410.543 3.621 20 30 HHEDHN COc1cnccc1N1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000432092519 978676825 /nfs/dbraw/zinc/67/68/25/978676825.db2.gz IMIAUVDBUDYCAG-INIZCTEOSA-N 0 3 411.531 3.696 20 30 HHEDHN N#CCCC[C@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000433022197 979044723 /nfs/dbraw/zinc/04/47/23/979044723.db2.gz JGQREPSOCQHMNH-QHCPKHFHSA-N 0 3 418.541 3.888 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1CC(OC(C)(C)C)C1 ZINC000433477850 979326742 /nfs/dbraw/zinc/32/67/42/979326742.db2.gz OMNJTEFHVUILBY-UHFFFAOYSA-N 0 3 400.567 3.615 20 30 HHEDHN N#CCCn1cc(CN(CCCO)Cc2cccc(Cl)c2)c(-c2ccncc2)n1 ZINC000435136698 980667993 /nfs/dbraw/zinc/66/79/93/980667993.db2.gz GHYQNDQMAAXOEW-UHFFFAOYSA-N 0 3 409.921 3.897 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000460134111 981908641 /nfs/dbraw/zinc/90/86/41/981908641.db2.gz MGQSBJRQQDHBAD-JOCHJYFZSA-N 0 3 406.530 3.731 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000437881591 982432416 /nfs/dbraw/zinc/43/24/16/982432416.db2.gz LIOSMAMPJYPTAX-IBGZPJMESA-N 0 3 406.530 3.731 20 30 HHEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000437968809 982496048 /nfs/dbraw/zinc/49/60/48/982496048.db2.gz FUUGQAHFMZEQHO-NRFANRHFSA-N 0 3 402.498 3.924 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000437984726 982506065 /nfs/dbraw/zinc/50/60/65/982506065.db2.gz HYXNCSBMNAQCBU-MJGOQNOKSA-N 0 3 424.383 3.504 20 30 HHEDHN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460774591 982527440 /nfs/dbraw/zinc/52/74/40/982527440.db2.gz NZMUPWTYKKZQJQ-FSSWDIPSSA-N 0 3 407.562 3.772 20 30 HHEDHN CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO1 ZINC000461144749 982850227 /nfs/dbraw/zinc/85/02/27/982850227.db2.gz FIEJRBGZMPAIHB-DENIHFKCSA-N 0 3 422.577 3.555 20 30 HHEDHN CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000438655571 982973288 /nfs/dbraw/zinc/97/32/88/982973288.db2.gz MHPQNFYZKHKIIU-OXQOHEQNSA-N 0 3 424.932 3.834 20 30 HHEDHN CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000438661790 982980138 /nfs/dbraw/zinc/98/01/38/982980138.db2.gz AQRIZXGVRNWLII-APWZRJJASA-N 0 3 424.932 3.834 20 30 HHEDHN N#Cc1ccc(CN(C[C@@H](O)COc2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000439429194 983405223 /nfs/dbraw/zinc/40/52/23/983405223.db2.gz HLCDPQPGECMNMU-LJQANCHMSA-N 0 3 419.294 3.864 20 30 HHEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 ZINC000439979407 983603228 /nfs/dbraw/zinc/60/32/28/983603228.db2.gz LZFHULSAAXIMTH-RNWQKYJXSA-N 0 3 410.562 3.681 20 30 HHEDHN CC[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000440187954 983675680 /nfs/dbraw/zinc/67/56/80/983675680.db2.gz MKZQSTPOUISCKE-OAQYLSRUSA-N 0 3 412.509 3.628 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1 ZINC000442300670 984798720 /nfs/dbraw/zinc/79/87/20/984798720.db2.gz YCFLNPYGRWUPFR-UHFFFAOYSA-N 0 3 404.514 3.520 20 30 HHEDHN Cc1nc(SCC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c(C#N)c(C)c1C ZINC000462191449 985173581 /nfs/dbraw/zinc/17/35/81/985173581.db2.gz SOCRBQDFMOXCRE-VFNWGFHPSA-N 0 3 408.571 3.607 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000462252686 985236508 /nfs/dbraw/zinc/23/65/08/985236508.db2.gz CJBRSTZKMOXECI-KBXCAEBGSA-N 0 3 400.429 3.802 20 30 HHEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443090304 985369827 /nfs/dbraw/zinc/36/98/27/985369827.db2.gz BLARJQYSHAVFIH-UHFFFAOYSA-N 0 3 411.980 3.806 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)CC1 ZINC000468083633 985740811 /nfs/dbraw/zinc/74/08/11/985740811.db2.gz ZBKQNUTWAAXXCT-GOSISDBHSA-N 0 3 410.587 3.865 20 30 HHEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N)N(C)C ZINC000443845576 986047891 /nfs/dbraw/zinc/04/78/91/986047891.db2.gz SGZMMJINGTXBIM-UTKZUKDTSA-N 0 3 424.570 3.747 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000463120354 986085199 /nfs/dbraw/zinc/08/51/99/986085199.db2.gz PIVNAJAXGARRCR-UHFFFAOYSA-N 0 3 415.497 3.690 20 30 HHEDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)ccc1C#N ZINC000443902043 986099240 /nfs/dbraw/zinc/09/92/40/986099240.db2.gz QOPSEVMAQXLRBQ-GGAORHGYSA-N 0 3 409.555 3.542 20 30 HHEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1C ZINC000468479531 986175177 /nfs/dbraw/zinc/17/51/77/986175177.db2.gz OWPVAIZMPAPPIT-OAQYLSRUSA-N 0 3 407.562 3.931 20 30 HHEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccc(Br)cc1OCCCO ZINC000463364241 986330496 /nfs/dbraw/zinc/33/04/96/986330496.db2.gz CTQGMLRGKHDICJ-OAHLLOKOSA-N 0 3 419.319 3.812 20 30 HHEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000444455014 986637291 /nfs/dbraw/zinc/63/72/91/986637291.db2.gz RDFAJOVIAMRIPS-HSZRJFAPSA-N 0 3 407.514 3.557 20 30 HHEDHN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000469157319 986881292 /nfs/dbraw/zinc/88/12/92/986881292.db2.gz YARUXILHTZUGTR-UHFFFAOYSA-N 0 3 423.467 3.535 20 30 HHEDHN N#Cc1ccc(F)c(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000464048586 988170006 /nfs/dbraw/zinc/17/00/06/988170006.db2.gz IIOUFVWTUKZLSE-FQEVSTJZSA-N 0 3 405.395 3.768 20 30 HHEDHN CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000470532662 988536263 /nfs/dbraw/zinc/53/62/63/988536263.db2.gz YARMKSDTDIDVQW-BJKOFHAPSA-N 0 3 402.542 3.740 20 30 HHEDHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)CC2)c1 ZINC000470552732 988566081 /nfs/dbraw/zinc/56/60/81/988566081.db2.gz ZQKCTEIAFVBGKL-LOSJGSFVSA-N 0 3 416.569 3.806 20 30 HHEDHN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CCN(c2ccccn2)CC1 ZINC000464805766 989037082 /nfs/dbraw/zinc/03/70/82/989037082.db2.gz BWCLRUOTMWZAKO-UHFFFAOYSA-N 0 3 402.502 3.742 20 30 HHEDHN CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C2(CCCCC2)C1 ZINC000471040309 989116080 /nfs/dbraw/zinc/11/60/80/989116080.db2.gz IQJJLQNSOMSLOX-UHFFFAOYSA-N 0 3 400.592 3.777 20 30 HHEDHN CN1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1c1ccccc1 ZINC000471956797 990121443 /nfs/dbraw/zinc/12/14/43/990121443.db2.gz GDULFOCPFIJWEI-WIYYLYMNSA-N 0 3 420.904 3.964 20 30 HHEDHN CCN(C(=O)Nc1ncccc1OCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000466622375 991938762 /nfs/dbraw/zinc/93/87/62/991938762.db2.gz CSTFLPMUKZAOHD-HXUWFJFHSA-N 0 3 407.518 3.892 20 30 HHEDHN C[C@H]1CC[N@H+](CCOc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)C1 ZINC000467440240 992736329 /nfs/dbraw/zinc/73/63/29/992736329.db2.gz QGYQCIGTTYJUGA-HNNXBMFYSA-N 0 3 419.934 3.733 20 30 HHEDHN C[C@H]1CC[N@@H+](CCOc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)C1 ZINC000467440240 992736340 /nfs/dbraw/zinc/73/63/40/992736340.db2.gz QGYQCIGTTYJUGA-HNNXBMFYSA-N 0 3 419.934 3.733 20 30 HHEDHN CC(C)Sc1ccccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000472387181 993382401 /nfs/dbraw/zinc/38/24/01/993382401.db2.gz MUOYGJNGMWKPPH-UHFFFAOYSA-N 0 3 424.570 3.588 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)nnc1-c1ccco1 ZINC000480787588 993655570 /nfs/dbraw/zinc/65/55/70/993655570.db2.gz DQZMLZHAWNCKJE-DLBZAZTESA-N 0 3 417.579 3.585 20 30 HHEDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000481064295 993904441 /nfs/dbraw/zinc/90/44/41/993904441.db2.gz UTOVHZUDSHABIH-DYESRHJHSA-N 0 3 415.534 3.512 20 30 HHEDHN C=C(C)[C@H](N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000481617677 994477339 /nfs/dbraw/zinc/47/73/39/994477339.db2.gz WFMQIUDVTHNFMG-NYDSKATKSA-N 0 3 413.512 3.951 20 30 HHEDHN COc1cc(OC)cc(N2CC[C@@H](N[C@@H]3CCCCc4cc(C#N)ccc43)C2=O)c1 ZINC000481667732 994527905 /nfs/dbraw/zinc/52/79/05/994527905.db2.gz HJUVMRHUTFIGFH-DHIUTWEWSA-N 0 3 405.498 3.738 20 30 HHEDHN COc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)ccc1OCC(=O)N(C)C ZINC000481668779 994528606 /nfs/dbraw/zinc/52/86/06/994528606.db2.gz USONNVWMPJAIOJ-NRFANRHFSA-N 0 3 407.514 3.591 20 30 HHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000473673280 994562749 /nfs/dbraw/zinc/56/27/49/994562749.db2.gz DUMYXITWTMUIQY-KRWDZBQOSA-N 0 3 403.596 3.618 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000473959568 994940007 /nfs/dbraw/zinc/94/00/07/994940007.db2.gz OARGXINTUCEPLS-UHFFFAOYSA-N 0 3 424.520 3.918 20 30 HHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000474231045 995227172 /nfs/dbraw/zinc/22/71/72/995227172.db2.gz LWZAANUXRPVDKF-QHCPKHFHSA-N 0 3 404.558 3.756 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN(C)Cc2cnccc2C)c1C#N ZINC000482988190 995903901 /nfs/dbraw/zinc/90/39/01/995903901.db2.gz RYHGMCJENJQBND-UHFFFAOYSA-N 0 3 405.502 3.782 20 30 HHEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@H]1CCC(C)(C)C1 ZINC000483125071 995990627 /nfs/dbraw/zinc/99/06/27/995990627.db2.gz RETJACVTQOQBTR-ROUUACIJSA-N 0 3 412.578 3.867 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(CC2CCC2)[C@@H](C)CO)c1C#N ZINC000483167590 996013910 /nfs/dbraw/zinc/01/39/10/996013910.db2.gz JCMODGGGSZDKPU-HNNXBMFYSA-N 0 3 412.509 3.526 20 30 HHEDHN N#CC(C(=O)c1ccc(I)c(F)c1)c1cnc2ccccc2n1 ZINC000483203120 996035771 /nfs/dbraw/zinc/03/57/71/996035771.db2.gz RERKDIFSOPXART-NSHDSACASA-N 0 3 417.181 3.864 20 30 HHEDHN N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000475532428 996205738 /nfs/dbraw/zinc/20/57/38/996205738.db2.gz PAEDGKSKDVYZTG-UHFFFAOYSA-N 0 3 403.935 3.676 20 30 HHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000475571584 996224726 /nfs/dbraw/zinc/22/47/26/996224726.db2.gz GMSWNKLBCLBTHD-UHFFFAOYSA-N 0 3 400.567 3.556 20 30 HHEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C#N)ccc2OC(F)F)c1 ZINC000483713232 996344459 /nfs/dbraw/zinc/34/44/59/996344459.db2.gz REPWPYFZYYIPNJ-UHFFFAOYSA-N 0 3 418.444 3.764 20 30 HHEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000483736269 996357672 /nfs/dbraw/zinc/35/76/72/996357672.db2.gz XYLZOOCTECPZCZ-IFMALSPDSA-N 0 3 406.530 3.713 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)Oc2ccccc2Br)CC1 ZINC000483765029 996373191 /nfs/dbraw/zinc/37/31/91/996373191.db2.gz QRJYNVWTJNXFPZ-HNNXBMFYSA-N 0 3 410.356 3.556 20 30 HHEDHN N#CC1(CS(=O)(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCCCC1 ZINC000476340526 996765626 /nfs/dbraw/zinc/76/56/26/996765626.db2.gz TUHXKMKLRSRKGF-HSZRJFAPSA-N 0 3 415.603 3.778 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476426838 996895109 /nfs/dbraw/zinc/89/51/09/996895109.db2.gz GPGSXFPOLTYDCA-HZPDHXFCSA-N 0 3 417.962 3.647 20 30 HHEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000485293622 997696128 /nfs/dbraw/zinc/69/61/28/997696128.db2.gz XSFKILGIFAHJNY-OPAMFIHVSA-N 0 3 402.498 3.753 20 30 HHEDHN CC(C)NC(=O)Nc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485314093 997723491 /nfs/dbraw/zinc/72/34/91/997723491.db2.gz DXYYUXDLXADFMF-JTSKRJEESA-N 0 3 419.529 3.934 20 30 HHEDHN COC1CCN(C(C)(C)CNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000477633243 998350349 /nfs/dbraw/zinc/35/03/49/998350349.db2.gz BOVOOIPDDRXURA-UHFFFAOYSA-N 0 3 407.514 3.970 20 30 HHEDHN CCN(C[C@@H]1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1)CC(F)(F)F ZINC000477713452 998434681 /nfs/dbraw/zinc/43/46/81/998434681.db2.gz DPEGGOFGOHQRHK-NNVNDSJASA-N 0 3 416.532 3.512 20 30 HHEDHN Cn1cc(CNCc2cccc(COC3CCOCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000478274348 998857965 /nfs/dbraw/zinc/85/79/65/998857965.db2.gz OMOSSSFTHXWEJH-UHFFFAOYSA-N 0 3 416.525 3.944 20 30 HHEDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000478369223 998921152 /nfs/dbraw/zinc/92/11/52/998921152.db2.gz JEYNXKPKDAUWOB-LOSJGSFVSA-N 0 3 411.505 3.965 20 30 HHEDHN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000478395185 998935257 /nfs/dbraw/zinc/93/52/57/998935257.db2.gz DNYVCZNHKPUJHW-UHFFFAOYSA-N 0 3 415.459 3.974 20 30 HHEDHN N#Cc1ccc(CN2CC[C@H](NCc3ccc(-n4cnc5ccccc54)cc3)C2=O)cc1 ZINC000486852099 998973287 /nfs/dbraw/zinc/97/32/87/998973287.db2.gz CVSRIIYPBPHYDB-DEOSSOPVSA-N 0 3 421.504 3.788 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000487003404 999032446 /nfs/dbraw/zinc/03/24/46/999032446.db2.gz XZOIWWDDINSBNV-HXUWFJFHSA-N 0 3 418.463 3.978 20 30 HHEDHN CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488466081 999496137 /nfs/dbraw/zinc/49/61/37/999496137.db2.gz PCJRELOWFCUXAL-JPYJTQIMSA-N 0 3 418.541 3.789 20 30 HHEDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488476581 999500237 /nfs/dbraw/zinc/50/02/37/999500237.db2.gz GYHLTYUMGQAJAA-MOPGFXCFSA-N 0 3 424.526 3.728 20 30 HHEDHN Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488481411 999502594 /nfs/dbraw/zinc/50/25/94/999502594.db2.gz QNNCCOLHZNRWNG-OXJNMPFZSA-N 0 3 424.932 3.628 20 30 HHEDHN CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488503737 999510234 /nfs/dbraw/zinc/51/02/34/999510234.db2.gz VCOJFBOHFTUNQI-JPYJTQIMSA-N 0 3 418.541 3.789 20 30 HHEDHN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000479687545 999537947 /nfs/dbraw/zinc/53/79/47/999537947.db2.gz GVOWDGGCXCBUNU-SFHVURJKSA-N 0 3 424.526 3.864 20 30 HHEDHN CC(C)N1CCN(c2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)CC1 ZINC000488830153 999621140 /nfs/dbraw/zinc/62/11/40/999621140.db2.gz OMKWAEQHEATYPG-UHFFFAOYSA-N 0 3 402.542 3.893 20 30 HHEDHN COCCN(Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)[C@@H]1CCO[C@H]1C ZINC000489409401 999760900 /nfs/dbraw/zinc/76/09/00/999760900.db2.gz GLPAABLSDZLSTN-PGRDOPGGSA-N 0 3 410.514 3.772 20 30 HHEDHN Cn1cc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491140709 1000049531 /nfs/dbraw/zinc/04/95/31/1000049531.db2.gz JMHFVMHXKJDFCG-UHFFFAOYSA-N 0 3 417.488 3.949 20 30 HHEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000492211014 1000115655 /nfs/dbraw/zinc/11/56/55/1000115655.db2.gz PJAAANQHHIUKLU-YLJYHZDGSA-N 0 3 406.486 3.917 20 30 HHEDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000493129819 1000158890 /nfs/dbraw/zinc/15/88/90/1000158890.db2.gz FXARYNPZKNAFND-OAQYLSRUSA-N 0 3 409.490 3.691 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1C#N ZINC000494050363 1000283891 /nfs/dbraw/zinc/28/38/91/1000283891.db2.gz QIDGRWLCLCIGCK-YWZLYKJASA-N 0 3 406.555 3.945 20 30 HHEDHN CC(C)C(=O)Nc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000505261809 1000653165 /nfs/dbraw/zinc/65/31/65/1000653165.db2.gz MXQYLEFWDGYDDK-UHFFFAOYSA-N 0 3 407.518 3.748 20 30 HHEDHN CN(C)CCN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000496355283 1001164852 /nfs/dbraw/zinc/16/48/52/1001164852.db2.gz DBYIWNMNDNDANE-UHFFFAOYSA-N 0 3 411.453 3.650 20 30 HHEDHN N#Cc1ccc(N2CCC(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC2)c(F)c1 ZINC000506022106 1001169277 /nfs/dbraw/zinc/16/92/77/1001169277.db2.gz QQMLZOGTNSCARW-XMMPIXPASA-N 0 3 420.532 3.867 20 30 HHEDHN C=CCOc1ccc(CN(Cc2cnc(N3CCN(C)CC3)nc2)C(C)(C)C)cc1 ZINC000506050793 1001191469 /nfs/dbraw/zinc/19/14/69/1001191469.db2.gz GEAZBKGPHXEOPZ-UHFFFAOYSA-N 0 3 409.578 3.594 20 30 HHEDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000497418950 1001352499 /nfs/dbraw/zinc/35/24/99/1001352499.db2.gz SKINSXWCSIATSY-LOSJGSFVSA-N 0 3 411.505 3.965 20 30 HHEDHN CCN(CC(=O)N1CCCN(Cc2ccccc2C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620492 1001461511 /nfs/dbraw/zinc/46/15/11/1001461511.db2.gz OHSDWRIGGZOZMB-QFIPXVFZSA-N 0 3 418.585 3.984 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)CC1 ZINC000506696219 1001496633 /nfs/dbraw/zinc/49/66/33/1001496633.db2.gz KCEBDJSRHAOKAL-GOSISDBHSA-N 0 3 421.545 3.735 20 30 HHEDHN CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507426636 1002066433 /nfs/dbraw/zinc/06/64/33/1002066433.db2.gz HMXRADZRLBDFHX-JTSKRJEESA-N 0 3 404.514 3.623 20 30 HHEDHN C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508842436 1003263172 /nfs/dbraw/zinc/26/31/72/1003263172.db2.gz BLZANNBZAWUSIA-JPYJTQIMSA-N 0 3 406.530 3.802 20 30 HHEDHN C=CCn1c(-c2ccccc2Br)nnc1N1CCN(C2CCCC2)CC1 ZINC000508864671 1003284033 /nfs/dbraw/zinc/28/40/33/1003284033.db2.gz PZAFVXZVCKLZPV-UHFFFAOYSA-N 0 3 416.367 3.958 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(C(=O)OC)ccc1F ZINC000511893369 1003870220 /nfs/dbraw/zinc/87/02/20/1003870220.db2.gz WZEWACDLFGSDHH-UHFFFAOYSA-N 0 3 418.538 3.711 20 30 HHEDHN COc1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1OCCCC#N ZINC000509557225 1003944158 /nfs/dbraw/zinc/94/41/58/1003944158.db2.gz MMTOPZWGNOGPMD-LJQANCHMSA-N 0 3 413.562 3.848 20 30 HHEDHN CCN1CCC[C@@H](CN(C)c2ccc(C#N)cc2Br)[C@@H]1c1cnn(C)c1 ZINC000509620735 1003986322 /nfs/dbraw/zinc/98/63/22/1003986322.db2.gz SKFCFYVGWIUSRX-OXJNMPFZSA-N 0 3 416.367 3.964 20 30 HHEDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CCN1Cc1ccccc1 ZINC000500968682 1004084851 /nfs/dbraw/zinc/08/48/51/1004084851.db2.gz SHURYJZETZOSQV-UTKZUKDTSA-N 0 3 415.534 3.512 20 30 HHEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCc2ccccc2C1 ZINC000512318826 1004214211 /nfs/dbraw/zinc/21/42/11/1004214211.db2.gz SJAPXNTZYUEZGO-OAQYLSRUSA-N 0 3 400.444 3.662 20 30 HHEDHN CCOC(=O)c1ccc(N2CCCN(Cc3cccc(OCCCC#N)c3)CC2)nc1 ZINC000512345094 1004232428 /nfs/dbraw/zinc/23/24/28/1004232428.db2.gz DIWKDJAIFUSMDG-UHFFFAOYSA-N 0 3 422.529 3.653 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510099397 1004322948 /nfs/dbraw/zinc/32/29/48/1004322948.db2.gz OLTYBZMKNKGTEW-UTKZUKDTSA-N 0 3 420.557 3.625 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510099397 1004322955 /nfs/dbraw/zinc/32/29/55/1004322955.db2.gz OLTYBZMKNKGTEW-UTKZUKDTSA-N 0 3 420.557 3.625 20 30 HHEDHN COCCCOc1cccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000512629823 1004442929 /nfs/dbraw/zinc/44/29/29/1004442929.db2.gz SSEUBLPZHQCLAS-UHFFFAOYSA-N 0 3 407.514 3.824 20 30 HHEDHN CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000512630780 1004443831 /nfs/dbraw/zinc/44/38/31/1004443831.db2.gz NYSDBNAHAMIZOL-AWEZNQCLSA-N 0 3 409.552 3.683 20 30 HHEDHN COc1ccc(CNC(=O)C2CCN(Cc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000512673041 1004482046 /nfs/dbraw/zinc/48/20/46/1004482046.db2.gz MADSRRPQQONINQ-UHFFFAOYSA-N 0 3 421.541 3.906 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501847122 1004773634 /nfs/dbraw/zinc/77/36/34/1004773634.db2.gz BSUBDXVRPWWGIU-JOCHJYFZSA-N 0 3 408.571 3.928 20 30 HHEDHN CC1(c2nc3ccccc3s2)CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000511110035 1005023400 /nfs/dbraw/zinc/02/34/00/1005023400.db2.gz SXMJVVNXEFWAOB-GOSISDBHSA-N 0 3 407.539 3.961 20 30 HHEDHN CN1CCN(CCCNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000502406381 1005061634 /nfs/dbraw/zinc/06/16/34/1005061634.db2.gz WGAMQZZXZILDNR-NRFANRHFSA-N 0 3 411.937 3.712 20 30 HHEDHN C=CCN1CCC(NC(=O)c2c(C)onc2-c2cccc(Br)c2)CC1 ZINC000503016462 1005316556 /nfs/dbraw/zinc/31/65/56/1005316556.db2.gz QLYSFKQDTOFQSB-UHFFFAOYSA-N 0 3 404.308 3.793 20 30 HHEDHN N#Cc1ccc(C2=CCN(C(=O)NCC3(N4CCSCC4)CCCC3)CC2)cc1 ZINC000504067372 1005545016 /nfs/dbraw/zinc/54/50/16/1005545016.db2.gz JZZMULMJFZBBDB-UHFFFAOYSA-N 0 3 410.587 3.719 20 30 HHEDHN CCN1CC[C@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000514426194 1005984574 /nfs/dbraw/zinc/98/45/74/1005984574.db2.gz MUEAIYYOTAJEJX-HEFCMCLBSA-N 0 3 422.495 3.560 20 30 HHEDHN N#C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000531114864 1006001986 /nfs/dbraw/zinc/00/19/86/1006001986.db2.gz BMTHXQJMPLRGBK-IEBWSBKVSA-N 0 3 418.419 3.573 20 30 HHEDHN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000538390560 1006660365 /nfs/dbraw/zinc/66/03/65/1006660365.db2.gz BTRPGIYMQBZXMR-SBUREZEXSA-N 0 3 405.498 3.834 20 30 HHEDHN C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000515803330 1006684291 /nfs/dbraw/zinc/68/42/91/1006684291.db2.gz XWRZMPANABPLLC-UHFFFAOYSA-N 0 3 424.564 3.861 20 30 HHEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)CC1 ZINC000532351349 1006812592 /nfs/dbraw/zinc/81/25/92/1006812592.db2.gz MFWMBUKHUDUBCM-RTBURBONSA-N 0 3 415.607 3.713 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCCN1CCCCCC1 ZINC000516305219 1007005550 /nfs/dbraw/zinc/00/55/50/1007005550.db2.gz HANIAKDGMSQSFN-UHFFFAOYSA-N 0 3 420.513 3.590 20 30 HHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000532768565 1007170985 /nfs/dbraw/zinc/17/09/85/1007170985.db2.gz ZNTZHIYKFZRNMG-FQEVSTJZSA-N 0 3 408.521 3.669 20 30 HHEDHN N#Cc1ccc(NC(=O)CCN2CCCN(C(=O)CC3CCCC3)CC2)cc1Cl ZINC000532960920 1007329061 /nfs/dbraw/zinc/32/90/61/1007329061.db2.gz OSIYPSKQVGDVLE-UHFFFAOYSA-N 0 3 416.953 3.655 20 30 HHEDHN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000517002552 1007369700 /nfs/dbraw/zinc/36/97/00/1007369700.db2.gz PMVGNUFEKYHJDE-HRAATJIYSA-N 0 3 403.448 3.956 20 30 HHEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000517052599 1007383171 /nfs/dbraw/zinc/38/31/71/1007383171.db2.gz GMCBXOWNDHVXKI-XMMPIXPASA-N 0 3 420.557 3.771 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000539259274 1007554131 /nfs/dbraw/zinc/55/41/31/1007554131.db2.gz BPOUFGLVQLUUJB-RTBURBONSA-N 0 3 417.513 3.867 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(SCc3ccccc3)s2)CC1 ZINC000517324682 1007566973 /nfs/dbraw/zinc/56/69/73/1007566973.db2.gz YATSCGPGMPGGQT-UHFFFAOYSA-N 0 3 403.577 3.992 20 30 HHEDHN Cc1ccccc1[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)C ZINC000539490949 1007802055 /nfs/dbraw/zinc/80/20/55/1007802055.db2.gz JDFNBENSMHJXBX-NFBKMPQASA-N 0 3 410.587 3.752 20 30 HHEDHN CC(C)(C)[C@@H](COc1ccccc1F)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000539491434 1007802349 /nfs/dbraw/zinc/80/23/49/1007802349.db2.gz PMEDYORBYXKHFU-HXUWFJFHSA-N 0 3 404.507 3.554 20 30 HHEDHN CC(C)(C)[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nc(-c2nc[n-]n2)no1 ZINC000539528568 1007836089 /nfs/dbraw/zinc/83/60/89/1007836089.db2.gz FJYWZXPKDSHYAZ-JQHMZKTJSA-N 0 3 405.506 3.936 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N1CCC[C@@H](C)C1 ZINC000517852837 1008013585 /nfs/dbraw/zinc/01/35/85/1008013585.db2.gz DLXKJASZNVIMON-MSOLQXFVSA-N 0 3 420.513 3.526 20 30 HHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539765428 1008080665 /nfs/dbraw/zinc/08/06/65/1008080665.db2.gz HNKIYYDBUXCBDK-LPHOPBHVSA-N 0 3 406.534 3.931 20 30 HHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539765432 1008080830 /nfs/dbraw/zinc/08/08/30/1008080830.db2.gz HNKIYYDBUXCBDK-VQIMIIECSA-N 0 3 406.534 3.931 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1Br ZINC000536056020 1008085491 /nfs/dbraw/zinc/08/54/91/1008085491.db2.gz VZUPKRWIOKIEPD-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)CC1 ZINC000518004772 1008098254 /nfs/dbraw/zinc/09/82/54/1008098254.db2.gz WYYZSYRXEMMNCY-UHFFFAOYSA-N 0 3 407.580 3.562 20 30 HHEDHN COc1cc2c(c(OC)c1OC)CCN(Cc1cccc(OCCCC#N)c1)CC2 ZINC000539825554 1008120318 /nfs/dbraw/zinc/12/03/18/1008120318.db2.gz VELFKLGMNOFWQS-UHFFFAOYSA-N 0 3 410.514 3.996 20 30 HHEDHN CN(C)[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)Cc1ccccc1 ZINC000533810831 1008128415 /nfs/dbraw/zinc/12/84/15/1008128415.db2.gz HKUJYPHEISQWCA-OAQYLSRUSA-N 0 3 403.482 3.633 20 30 HHEDHN Cc1cccc(C(C)C)c1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000518093772 1008155334 /nfs/dbraw/zinc/15/53/34/1008155334.db2.gz UGMMVVMAHZVFCO-UHFFFAOYSA-N 0 3 406.530 3.519 20 30 HHEDHN COc1ccc(OC(C)C)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000518578875 1008353049 /nfs/dbraw/zinc/35/30/49/1008353049.db2.gz QBLBTIYIMQKAEN-UHFFFAOYSA-N 0 3 410.518 3.950 20 30 HHEDHN CC(C)(C)[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000540468458 1008443146 /nfs/dbraw/zinc/44/31/46/1008443146.db2.gz PCSVFSPFEUMQBF-DENIHFKCSA-N 0 3 410.587 3.834 20 30 HHEDHN N#C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849200 1008444824 /nfs/dbraw/zinc/44/48/24/1008444824.db2.gz SMHWHBWOPOUDLH-MJGOQNOKSA-N 0 3 402.420 3.693 20 30 HHEDHN N#C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849199 1008444855 /nfs/dbraw/zinc/44/48/55/1008444855.db2.gz SMHWHBWOPOUDLH-IEBWSBKVSA-N 0 3 402.420 3.693 20 30 HHEDHN CS(=O)(=O)Nc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000540528454 1008468861 /nfs/dbraw/zinc/46/88/61/1008468861.db2.gz OUOQEGNYRUHNSQ-UHFFFAOYSA-N 0 3 421.522 3.799 20 30 HHEDHN CC[C@H](C)N(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000540558488 1008481464 /nfs/dbraw/zinc/48/14/64/1008481464.db2.gz HMJRSMDHDKENBN-FPOVZHCZSA-N 0 3 410.587 3.758 20 30 HHEDHN CCN1CC[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549117401 1008685170 /nfs/dbraw/zinc/68/51/70/1008685170.db2.gz VBZPGZCELDFGKM-ICSRJNTNSA-N 0 3 406.933 3.547 20 30 HHEDHN CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 ZINC000549158965 1008728488 /nfs/dbraw/zinc/72/84/88/1008728488.db2.gz SHPWUMBZHMIRSY-UHFFFAOYSA-N 0 3 400.530 3.643 20 30 HHEDHN C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000549279744 1008850220 /nfs/dbraw/zinc/85/02/20/1008850220.db2.gz MEIURRNKVLPTPS-UHFFFAOYSA-N 0 3 417.557 3.975 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000543347914 1008933404 /nfs/dbraw/zinc/93/34/04/1008933404.db2.gz VGUPIQACGCLNRX-OAQYLSRUSA-N 0 3 408.502 3.542 20 30 HHEDHN CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000543495839 1009084763 /nfs/dbraw/zinc/08/47/63/1009084763.db2.gz DJYCCHICERJELD-NHCUHLMSSA-N 0 3 412.509 3.650 20 30 HHEDHN CS[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H]1N(C)C ZINC000546128274 1009153151 /nfs/dbraw/zinc/15/31/51/1009153151.db2.gz NYYCYZZPEISWHB-VXKWHMMOSA-N 0 3 424.570 3.841 20 30 HHEDHN C[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)N(C)Cc1ccccc1 ZINC000543764769 1009335710 /nfs/dbraw/zinc/33/57/10/1009335710.db2.gz KJHKFUQWVPBSIT-INIZCTEOSA-N 0 3 406.465 3.525 20 30 HHEDHN CN1CCCN(c2ccc(-c3noc(CSCc4ccc(C#N)cc4)n3)cn2)CC1 ZINC000546370195 1009379513 /nfs/dbraw/zinc/37/95/13/1009379513.db2.gz ZFWYKTAQGMVBEX-UHFFFAOYSA-N 0 3 420.542 3.579 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000520323104 1009453123 /nfs/dbraw/zinc/45/31/23/1009453123.db2.gz QZLIOLZLWVZATO-UHFFFAOYSA-N 0 3 422.598 3.510 20 30 HHEDHN Cc1cc(C)cc([C@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)c1 ZINC000544188970 1009791453 /nfs/dbraw/zinc/79/14/53/1009791453.db2.gz JVZCYCLDHIWBGW-UNMCSNQZSA-N 0 3 422.598 3.563 20 30 HHEDHN N#CC(C(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccncn1 ZINC000546860238 1009822133 /nfs/dbraw/zinc/82/21/33/1009822133.db2.gz KMXOYOPVWCOHGS-HNNXBMFYSA-N 0 3 421.254 3.981 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC000520977237 1010019048 /nfs/dbraw/zinc/01/90/48/1010019048.db2.gz BOROCHYIOCRIRA-UHFFFAOYSA-N 0 3 413.525 3.925 20 30 HHEDHN N#CC(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccncn1 ZINC000544816220 1010409040 /nfs/dbraw/zinc/40/90/40/1010409040.db2.gz FQACEJGLWGGYAI-CYBMUJFWSA-N 0 3 411.215 3.574 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)c3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000548299374 1010585630 /nfs/dbraw/zinc/58/56/30/1010585630.db2.gz PLVXFPIPKYCHSZ-UHFFFAOYSA-N 0 3 410.949 3.852 20 30 HHEDHN N#Cc1ccc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000548303247 1010587814 /nfs/dbraw/zinc/58/78/14/1010587814.db2.gz YEOUWERAUAUAAG-UHFFFAOYSA-N 0 3 410.949 3.539 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000545151750 1010650734 /nfs/dbraw/zinc/65/07/34/1010650734.db2.gz ZFEDGESYSDLXFK-UHFFFAOYSA-N 0 3 404.352 3.898 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OCc2ccccc2)nc1 ZINC000522586871 1011094498 /nfs/dbraw/zinc/09/44/98/1011094498.db2.gz XCHGXOPYJBEVCX-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN Cn1ccnc1[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000540597185 1011252562 /nfs/dbraw/zinc/25/25/62/1011252562.db2.gz MQNIZAJQZWRTPV-HSZRJFAPSA-N 0 3 403.505 3.774 20 30 HHEDHN N#Cc1cccc(COc2cccc(CN3CCCC[C@@H]3CN3CCOCC3)c2)c1 ZINC000536682848 1011846294 /nfs/dbraw/zinc/84/62/94/1011846294.db2.gz NUTLKPMFVWELNF-XMMPIXPASA-N 0 3 405.542 3.824 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000551962605 1012034300 /nfs/dbraw/zinc/03/43/00/1012034300.db2.gz TWZBNLFMXPPMEI-SFHVURJKSA-N 0 3 403.906 3.759 20 30 HHEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c(C#N)c1C ZINC000552058517 1012076769 /nfs/dbraw/zinc/07/67/69/1012076769.db2.gz MMLXBQBIJUFKRT-YXKWSERDSA-N 0 3 403.429 3.963 20 30 HHEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1c(F)cccc1C#N ZINC000552116013 1012134540 /nfs/dbraw/zinc/13/45/40/1012134540.db2.gz ZKMMRSDSQNBAKW-HXUWFJFHSA-N 0 3 417.488 3.831 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000536942842 1012238701 /nfs/dbraw/zinc/23/87/01/1012238701.db2.gz XBUVUSLTBZHVGZ-VQTJNVASSA-N 0 3 408.949 3.564 20 30 HHEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537369554 1012841787 /nfs/dbraw/zinc/84/17/87/1012841787.db2.gz SZQJHOBFHCHGBG-MOPGFXCFSA-N 0 3 406.452 3.929 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000524211490 1013019261 /nfs/dbraw/zinc/01/92/61/1013019261.db2.gz LHJXWNQHAMAZHX-GOTSBHOMSA-N 0 3 406.530 3.552 20 30 HHEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@H]2C2CCOCC2)c1C#N ZINC000537524835 1013041574 /nfs/dbraw/zinc/04/15/74/1013041574.db2.gz IVDMHPGQFRYDOS-QFIPXVFZSA-N 0 3 406.530 3.795 20 30 HHEDHN Cc1cccc2nc(C3CCN(C[C@@H](O)COc4ccc(CC#N)cc4)CC3)oc21 ZINC000614925923 1071988817 /nfs/dbraw/zinc/98/88/17/1071988817.db2.gz RQYPMEZYQZCJNG-HXUWFJFHSA-N 0 3 405.498 3.822 20 30 HHEDHN COC1CCN(CCNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000611855928 1072156601 /nfs/dbraw/zinc/15/66/01/1072156601.db2.gz GVMJTHVPERVPAA-SFHVURJKSA-N 0 3 406.530 3.696 20 30 HHEDHN CCN1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3OCC#N)c(C)c2)CC1 ZINC000760486155 1072391692 /nfs/dbraw/zinc/39/16/92/1072391692.db2.gz SQVDLMSNRVLAHZ-UHFFFAOYSA-N 0 3 411.481 3.822 20 30 HHEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000587846441 1072707153 /nfs/dbraw/zinc/70/71/53/1072707153.db2.gz HOVSSPGBEXPZNF-UGKGYDQZSA-N 0 3 420.532 3.647 20 30 HHEDHN N#CCc1ccc(OC[C@@H](O)CN2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000589960600 1073403893 /nfs/dbraw/zinc/40/38/93/1073403893.db2.gz JUWDBLZIGDGNRP-FQEVSTJZSA-N 0 3 404.432 3.686 20 30 HHEDHN N#Cc1cc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cnc1C(F)(F)F ZINC000590211982 1073684794 /nfs/dbraw/zinc/68/47/94/1073684794.db2.gz GQEMTVJVTGRVCD-GOSISDBHSA-N 0 3 402.420 3.929 20 30 HHEDHN C=CCn1c(-c2cccc3ccccc32)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000573169184 1074257849 /nfs/dbraw/zinc/25/78/49/1074257849.db2.gz XNLIXSVBVNPHIO-OAQYLSRUSA-N 0 3 416.573 3.501 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000592076601 1074688280 /nfs/dbraw/zinc/68/82/80/1074688280.db2.gz OLPOIVQMGLSYKL-UHFFFAOYSA-N 0 3 401.532 3.598 20 30 HHEDHN Oc1ccc(Br)cc1/C=N\C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000760977985 1074770178 /nfs/dbraw/zinc/77/01/78/1074770178.db2.gz FUDFJPSNBQWTDI-JJUBJSHISA-N 0 3 403.320 3.865 20 30 HHEDHN Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nn2)cc1 ZINC001164721675 720338712 /nfs/dbraw/zinc/33/87/12/720338712.db2.gz CZHJSFWMTTWPSX-OEMFJLHTSA-N 0 3 410.525 3.689 20 30 HHEDHN N#Cc1ccc(CN2CCCN(c3nc4ccccc4nc3N3CCCC3)CC2)cc1 ZINC000301694301 971030508 /nfs/dbraw/zinc/03/05/08/971030508.db2.gz AFYZPRVSVDISBS-UHFFFAOYSA-N 0 3 412.541 3.814 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)CC1 ZINC000303269430 971589689 /nfs/dbraw/zinc/58/96/89/971589689.db2.gz CAWNLPBKBDMRAU-SFHVURJKSA-N 0 3 404.986 3.814 20 30 HHEDHN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN[C@@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000542308480 1013266165 /nfs/dbraw/zinc/26/61/65/1013266165.db2.gz DIPPXUCARAPTGZ-VWNXMTODSA-N 0 3 424.520 3.650 20 30 HHEDHN CCOc1ccccc1-c1nnc(SCC(=O)C(C#N)c2nc(C)cs2)o1 ZINC000026210639 964485895 /nfs/dbraw/zinc/48/58/95/964485895.db2.gz XMXXTSLTSYCSOJ-CYBMUJFWSA-N 0 3 400.485 3.869 20 30 HHEDHN COc1ccc2[nH]cc(C3=CCN(C[C@H](O)COc4ccc(C#N)cc4)CC3)c2c1 ZINC000053073593 965055630 /nfs/dbraw/zinc/05/56/30/965055630.db2.gz JKZVRVFEYRXUSO-IBGZPJMESA-N 0 3 403.482 3.577 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)NCC2(N3CCSCC3)CCCC2)c1C#N ZINC000029369047 965361108 /nfs/dbraw/zinc/36/11/08/965361108.db2.gz UDPRTLJNZSNVQE-UHFFFAOYSA-N 0 3 416.616 3.644 20 30 HHEDHN CN(C)Cc1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000031231227 965945587 /nfs/dbraw/zinc/94/55/87/965945587.db2.gz USSNGIYOYBHHEB-UHFFFAOYSA-N 0 3 419.485 3.723 20 30 HHEDHN C=CCc1cc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc(OC)c1OC ZINC000058991256 965983024 /nfs/dbraw/zinc/98/30/24/965983024.db2.gz DBHTWJJCBASDLJ-UHFFFAOYSA-N 0 3 400.494 3.775 20 30 HHEDHN C[C@H]1CN(CCOC2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000538045036 1013618041 /nfs/dbraw/zinc/61/80/41/1013618041.db2.gz JYFKJOGPFASHPO-OALUTQOASA-N 0 3 424.507 3.647 20 30 HHEDHN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCCC1 ZINC000060477096 966163123 /nfs/dbraw/zinc/16/31/23/966163123.db2.gz ROPWLMWIQZRKRW-KRWDZBQOSA-N 0 3 422.510 3.536 20 30 HHEDHN N#CC(C(=O)c1ccc(OCC(N)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514642 966583355 /nfs/dbraw/zinc/58/33/55/966583355.db2.gz ZUVCTWUBRJLHLX-MRXNPFEDSA-N 0 3 411.870 3.818 20 30 HHEDHN CN(C)CCN(Cc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000045433131 967460739 /nfs/dbraw/zinc/46/07/39/967460739.db2.gz PANVHUVPQQNUQK-UHFFFAOYSA-N 0 3 403.448 3.830 20 30 HHEDHN C[C@@H](OC[C@@H](O)CN1CCCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000046086925 967657042 /nfs/dbraw/zinc/65/70/42/967657042.db2.gz ICAWFWLOMYDHHY-GCJKJVERSA-N 0 3 413.949 3.862 20 30 HHEDHN C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000046121705 967668460 /nfs/dbraw/zinc/66/84/60/967668460.db2.gz YXFPYSZFGGFXSR-UHFFFAOYSA-N 0 3 406.574 3.722 20 30 HHEDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047234333 968098144 /nfs/dbraw/zinc/09/81/44/968098144.db2.gz LZFRYEBGBCRTBM-MRXNPFEDSA-N 0 3 412.515 3.537 20 30 HHEDHN Cc1c(C(=O)C(C#N)c2ccc3ccccc3n2)sc2nc3n(c(=O)c12)CCC3 ZINC000047376281 968163487 /nfs/dbraw/zinc/16/34/87/968163487.db2.gz YUEWOHWSCFUALD-AWEZNQCLSA-N 0 3 400.463 3.751 20 30 HHEDHN Cc1c(C(=O)C(C#N)c2ccc3ccccc3n2)sc2nc3n(c(=O)c12)CCC3 ZINC000047376282 968163582 /nfs/dbraw/zinc/16/35/82/968163582.db2.gz YUEWOHWSCFUALD-CQSZACIVSA-N 0 3 400.463 3.751 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000065930628 968720564 /nfs/dbraw/zinc/72/05/64/968720564.db2.gz FYGGPAXDBQNHKQ-UHFFFAOYSA-N 0 3 405.546 3.538 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(F)cc1Cl ZINC000065930411 968720689 /nfs/dbraw/zinc/72/06/89/968720689.db2.gz XLUYVNVSGNJPGR-UHFFFAOYSA-N 0 3 403.885 3.710 20 30 HHEDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931110 968721809 /nfs/dbraw/zinc/72/18/09/968721809.db2.gz RHRCDJJLMZREBC-MRXNPFEDSA-N 0 3 412.515 3.537 20 30 HHEDHN C=CCc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc(OC)c1OC ZINC000065937896 968727182 /nfs/dbraw/zinc/72/71/82/968727182.db2.gz QJKOVYRBQLFEHI-UHFFFAOYSA-N 0 3 418.484 3.915 20 30 HHEDHN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN([C@H](C)CO)C2CCCC2)cc1 ZINC000554272811 1013886928 /nfs/dbraw/zinc/88/69/28/1013886928.db2.gz SYIRTTGYIPXXAA-MRXNPFEDSA-N 0 3 424.545 3.538 20 30 HHEDHN N#CCCN(C(=O)CCC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000110945904 969745549 /nfs/dbraw/zinc/74/55/49/969745549.db2.gz ZBZWPZSTORRZPY-HXUWFJFHSA-N 0 3 424.570 3.728 20 30 HHEDHN Cc1nn(-c2ccccc2)c2sc(C(=O)C(C#N)C(=O)NCCCOC(C)C)cc12 ZINC000113141120 969825085 /nfs/dbraw/zinc/82/50/85/969825085.db2.gz YCCUMWCZBGWWHN-GOSISDBHSA-N 0 3 424.526 3.649 20 30 HHEDHN C[C@H](Oc1ccccc1C#N)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000113145324 969825304 /nfs/dbraw/zinc/82/53/04/969825304.db2.gz UUGNTVMTFRMOJD-SMDDNHRTSA-N 0 3 402.237 3.980 20 30 HHEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000195707426 969970923 /nfs/dbraw/zinc/97/09/23/969970923.db2.gz XPHOCIPRZMXHSR-UHFFFAOYSA-N 0 3 405.951 3.744 20 30 HHEDHN C=C(C)COc1cc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1OC ZINC000142943419 970174747 /nfs/dbraw/zinc/17/47/47/970174747.db2.gz FKDHFXIRTAQJGH-QGZVFWFLSA-N 0 3 418.559 3.751 20 30 HHEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000237600984 970319916 /nfs/dbraw/zinc/31/99/16/970319916.db2.gz BWTHFPCAZZPMGT-GOSISDBHSA-N 0 3 415.497 3.984 20 30 HHEDHN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000195613024 970556558 /nfs/dbraw/zinc/55/65/58/970556558.db2.gz ZGAUARKHEDNOIJ-GOSISDBHSA-N 0 3 421.545 3.682 20 30 HHEDHN CC(C)(C)N(Cc1ccccc1)C(=O)CON=Cc1ccc(N2CCOCC2)cc1 ZINC000255366773 970585013 /nfs/dbraw/zinc/58/50/13/970585013.db2.gz ONDCSRXKIJUHGP-UHFFFAOYSA-N 0 3 409.530 3.701 20 30 HHEDHN CN1CCC[C@@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H]1c1cccs1 ZINC000409734057 973208596 /nfs/dbraw/zinc/20/85/96/973208596.db2.gz NBMWEXSISJVWIE-LAUBAEHRSA-N 0 3 405.527 3.618 20 30 HHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409938454 973402289 /nfs/dbraw/zinc/40/22/89/973402289.db2.gz QIPFXYBIAFBEEF-QHCPKHFHSA-N 0 3 401.514 3.630 20 30 HHEDHN C[C@H]1CN(CCC2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000426638778 974576705 /nfs/dbraw/zinc/57/67/05/974576705.db2.gz SHVCQEGRVHGGHD-ROUUACIJSA-N 0 3 415.582 3.858 20 30 HHEDHN Cc1cccc(OCCCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000426845070 974707209 /nfs/dbraw/zinc/70/72/09/974707209.db2.gz IGXNXBQLWSTSPE-UHFFFAOYSA-N 0 3 408.546 3.717 20 30 HHEDHN N#Cc1ccc(O[C@H]2CCN(CCC(=O)Nc3c(Cl)cccc3Cl)C2)nc1 ZINC000428793678 976069904 /nfs/dbraw/zinc/06/99/04/976069904.db2.gz LDKWRGBKOSESSK-AWEZNQCLSA-N 0 3 405.285 3.742 20 30 HHEDHN CC(C)N(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H](C)c1ccccc1 ZINC000428851756 976139170 /nfs/dbraw/zinc/13/91/70/976139170.db2.gz RZNUJLIBPIELBJ-CTNGQTDRSA-N 0 3 410.587 3.929 20 30 HHEDHN C[C@H]1CN(CCC2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000429222145 976515228 /nfs/dbraw/zinc/51/52/28/976515228.db2.gz PYTYMAKNSRMGLQ-HOTGVXAUSA-N 0 3 404.942 3.955 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)CC1 ZINC000429492956 976751060 /nfs/dbraw/zinc/75/10/60/976751060.db2.gz QAOIKOGOGWKFTA-NRFANRHFSA-N 0 3 413.953 3.901 20 30 HHEDHN C[C@@H]1C[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CN1Cc1ccccc1 ZINC000429810843 977084094 /nfs/dbraw/zinc/08/40/94/977084094.db2.gz CBHLXESZZTXDLK-DENIHFKCSA-N 0 3 413.525 3.857 20 30 HHEDHN C=CCN1C(=O)N(C[C@H](c2cccs2)N2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430969754 977919114 /nfs/dbraw/zinc/91/91/14/977919114.db2.gz FEGUBWFBPQDMNS-VQTJNVASSA-N 0 3 409.555 3.947 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431704489 978447661 /nfs/dbraw/zinc/44/76/61/978447661.db2.gz XXUOHYQIOBETKJ-WWPVKYPJSA-N 0 3 403.526 3.711 20 30 HHEDHN CCCN(C(=O)c1cccs1)C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000432020701 978649107 /nfs/dbraw/zinc/64/91/07/978649107.db2.gz QQHTYIHXXYREKA-UHFFFAOYSA-N 0 3 424.570 3.965 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(c3ncc(C)s3)CC2)c(OC)c1 ZINC000433168694 979113127 /nfs/dbraw/zinc/11/31/27/979113127.db2.gz SYSLRZIWFCVNDW-LJQANCHMSA-N 0 3 402.560 3.808 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(F)ccc1Br ZINC000433999328 979747161 /nfs/dbraw/zinc/74/71/61/979747161.db2.gz MPUWYHKOSWTPJT-UHFFFAOYSA-N 0 3 418.310 3.593 20 30 HHEDHN CCOC(=O)CC1(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCC1 ZINC000434619007 980300602 /nfs/dbraw/zinc/30/06/02/980300602.db2.gz QBPHZESSXBIBMV-UHFFFAOYSA-N 0 3 403.548 3.683 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H](C)O1 ZINC000434778755 980394576 /nfs/dbraw/zinc/39/45/76/980394576.db2.gz VEYSYALYBRQVJO-WOJBJXKFSA-N 0 3 421.541 3.756 20 30 HHEDHN CCCN(Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1COc2ccccc2O1 ZINC000434833411 980430878 /nfs/dbraw/zinc/43/08/78/980430878.db2.gz KSHMGYJYFCVDEF-NRFANRHFSA-N 0 3 417.513 3.911 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000435185921 980706284 /nfs/dbraw/zinc/70/62/84/980706284.db2.gz ZKSUSFBZAZHLAC-ZDUSSCGKSA-N 0 3 402.486 3.701 20 30 HHEDHN Cc1cc(NC(=O)COc2ccc(C#N)cc2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435281403 980757187 /nfs/dbraw/zinc/75/71/87/980757187.db2.gz WKPDECQMEBYPLP-NRFANRHFSA-N 0 3 415.497 3.528 20 30 HHEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435375959 980825461 /nfs/dbraw/zinc/82/54/61/980825461.db2.gz XFAXVZHAWNYHTL-WIYYLYMNSA-N 0 3 415.497 3.608 20 30 HHEDHN Cc1cc(NC(=O)NCc2cccc(C#N)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435516469 980913699 /nfs/dbraw/zinc/91/36/99/980913699.db2.gz LQIXXMABPDKBJC-JOCHJYFZSA-N 0 3 414.513 3.832 20 30 HHEDHN CCn1c(Cc2ccsc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460212791 981987214 /nfs/dbraw/zinc/98/72/14/981987214.db2.gz HBYOSROXKDYESI-UHFFFAOYSA-N 0 3 406.559 3.534 20 30 HHEDHN CCn1c(-c2sccc2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460251446 982028824 /nfs/dbraw/zinc/02/88/24/982028824.db2.gz LDYSOQYUGLWBNO-UHFFFAOYSA-N 0 3 406.559 3.919 20 30 HHEDHN C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000460541745 982328822 /nfs/dbraw/zinc/32/88/22/982328822.db2.gz GLWLSFAFRLUTAI-IBGZPJMESA-N 0 3 401.599 3.667 20 30 HHEDHN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460566439 982351307 /nfs/dbraw/zinc/35/13/07/982351307.db2.gz RXUWSBKXSYAYDG-UONOGXRCSA-N 0 3 407.360 3.531 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000437881592 982432315 /nfs/dbraw/zinc/43/23/15/982432315.db2.gz LIOSMAMPJYPTAX-LJQANCHMSA-N 0 3 406.530 3.731 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460747422 982505796 /nfs/dbraw/zinc/50/57/96/982505796.db2.gz ROLICTVWMKTKDL-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000437984728 982506176 /nfs/dbraw/zinc/50/61/76/982506176.db2.gz HYXNCSBMNAQCBU-PKOBYXMFSA-N 0 3 424.383 3.504 20 30 HHEDHN COC(=O)C(C)(C)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000438463399 982815994 /nfs/dbraw/zinc/81/59/94/982815994.db2.gz VWJJLXRQBRUICX-UHFFFAOYSA-N 0 3 422.529 3.605 20 30 HHEDHN CN(Cc1ccco1)Cc1ccccc1CN[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000439612530 983471136 /nfs/dbraw/zinc/47/11/36/983471136.db2.gz SJQXZOXBXTXNQT-DEOSSOPVSA-N 0 3 414.509 3.678 20 30 HHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000439636715 983479274 /nfs/dbraw/zinc/47/92/74/983479274.db2.gz DJPZATVFLBQCCS-IUKKYPGJSA-N 0 3 406.530 3.585 20 30 HHEDHN Cc1nc(SCC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c(C#N)c(C)c1C ZINC000439769999 983531614 /nfs/dbraw/zinc/53/16/14/983531614.db2.gz WJWZCEZRPGNRQY-GOSISDBHSA-N 0 3 423.586 3.707 20 30 HHEDHN COc1cc(NC2CCN(CCOc3ccc(C#N)cc3OC)CC2)cc(OC)c1 ZINC000440541173 983789284 /nfs/dbraw/zinc/78/92/84/983789284.db2.gz QXQRFALZGCGBAR-UHFFFAOYSA-N 0 3 411.502 3.539 20 30 HHEDHN Cc1ccc2c(ncc(C#N)c2NCCN2CCN(C)C(C)(C)C2)c1Br ZINC000440667125 983845141 /nfs/dbraw/zinc/84/51/41/983845141.db2.gz BVVQRHFHPBOHHL-UHFFFAOYSA-N 0 3 416.367 3.615 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CC(C)(C)OC(C)(C)C2)c1C#N ZINC000442892761 985264966 /nfs/dbraw/zinc/26/49/66/985264966.db2.gz WBOVTPKDIRFNPE-UHFFFAOYSA-N 0 3 412.534 3.836 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000463203105 986174937 /nfs/dbraw/zinc/17/49/37/986174937.db2.gz JKADYILHQIIMJX-YTFSRNRJSA-N 0 3 413.562 3.738 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000463263342 986230849 /nfs/dbraw/zinc/23/08/49/986230849.db2.gz VILUMPIUNQZYQP-GOTSBHOMSA-N 0 3 406.530 3.552 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000444220022 986404251 /nfs/dbraw/zinc/40/42/51/986404251.db2.gz BKDJVEHWTCLKJI-IBGZPJMESA-N 0 3 408.571 3.837 20 30 HHEDHN C[C@H]1CCc2ccccc2N1CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000468726102 986439562 /nfs/dbraw/zinc/43/95/62/986439562.db2.gz UAZDLJKPTXARSC-FQEVSTJZSA-N 0 3 404.558 3.680 20 30 HHEDHN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000463505273 986480802 /nfs/dbraw/zinc/48/08/02/986480802.db2.gz CJJOQZXCLXVUDH-UHFFFAOYSA-N 0 3 409.530 3.650 20 30 HHEDHN CCc1nc2ccc(Cl)cn2c1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000463588446 986564644 /nfs/dbraw/zinc/56/46/44/986564644.db2.gz WJIOPJFODRUQIO-UHFFFAOYSA-N 0 3 409.921 3.626 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1-c1c(F)cccc1F ZINC000468969032 986673757 /nfs/dbraw/zinc/67/37/57/986673757.db2.gz KWYIQWYYNPZJIO-UHFFFAOYSA-N 0 3 423.467 3.535 20 30 HHEDHN N#Cc1ccc(N2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)c(Cl)c1 ZINC000444523980 986712526 /nfs/dbraw/zinc/71/25/26/986712526.db2.gz HIOJBYVORNERPP-UHFFFAOYSA-N 0 3 408.933 3.770 20 30 HHEDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677695 986859090 /nfs/dbraw/zinc/85/90/90/986859090.db2.gz UOKCVIKAVGQNFQ-PKTZIBPZSA-N 0 3 406.526 3.929 20 30 HHEDHN N#CCCCN1C(=O)CCc2cc(NC3CCN(Cc4ccncc4)CC3)ccc21 ZINC000469199099 986923084 /nfs/dbraw/zinc/92/30/84/986923084.db2.gz ZJBZFERNOOQWBX-UHFFFAOYSA-N 0 3 403.530 3.741 20 30 HHEDHN C=CC[C@@H]1N(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CCCC1(C)C ZINC000444788361 986944047 /nfs/dbraw/zinc/94/40/47/986944047.db2.gz USDUJEMGBSRDOZ-NRFANRHFSA-N 0 3 403.611 3.741 20 30 HHEDHN C=CCN1CCC(NC(=O)N2Cc3cccc(Br)c3C[C@H]2CC)CC1 ZINC000445095630 987206920 /nfs/dbraw/zinc/20/69/20/987206920.db2.gz VPNYWYVCABAKGE-QGZVFWFLSA-N 0 3 406.368 3.946 20 30 HHEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000463922744 988032028 /nfs/dbraw/zinc/03/20/28/988032028.db2.gz RFPBMIRSHWZYDB-AVRDEDQJSA-N 0 3 409.530 3.586 20 30 HHEDHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)CC2)c1 ZINC000470552733 988565794 /nfs/dbraw/zinc/56/57/94/988565794.db2.gz ZQKCTEIAFVBGKL-RPBOFIJWSA-N 0 3 416.569 3.806 20 30 HHEDHN CN(C)[C@H](CNc1nc(NC[C@@H](c2ccco2)N(C)C)ccc1C#N)c1ccco1 ZINC000472040800 990210995 /nfs/dbraw/zinc/21/09/95/990210995.db2.gz AETYTWVUMVEWMR-ZWKOTPCHSA-N 0 3 408.506 3.569 20 30 HHEDHN Cc1cccc2c(CCNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c[nH]c21 ZINC000466005166 991170165 /nfs/dbraw/zinc/17/01/65/991170165.db2.gz UGIRRWWCPAHGJL-UHFFFAOYSA-N 0 3 403.530 3.664 20 30 HHEDHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000473659039 994546136 /nfs/dbraw/zinc/54/61/36/994546136.db2.gz JMYREMOGXRBFSC-UHFFFAOYSA-N 0 3 421.545 3.888 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000473819346 994747269 /nfs/dbraw/zinc/74/72/69/994747269.db2.gz GRYSDFWZBUGGQI-QGZVFWFLSA-N 0 3 411.377 3.912 20 30 HHEDHN CCN1CCN(c2cccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)c2)CC1 ZINC000473832749 994764274 /nfs/dbraw/zinc/76/42/74/994764274.db2.gz CGEOFFPABMTAEV-UHFFFAOYSA-N 0 3 400.530 3.713 20 30 HHEDHN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000474206531 995202345 /nfs/dbraw/zinc/20/23/45/995202345.db2.gz PGLCCXIWXGZPKW-QHCPKHFHSA-N 0 3 409.555 3.544 20 30 HHEDHN C=CCc1cc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc(OC)c1O ZINC000475098807 995920521 /nfs/dbraw/zinc/92/05/21/995920521.db2.gz COTKRQQOHZJJCH-ROUUACIJSA-N 0 3 405.539 3.630 20 30 HHEDHN COc1cc(CN2CCC(O[C@H]3CCOC3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000483036983 995934077 /nfs/dbraw/zinc/93/40/77/995934077.db2.gz PUHZSLISGIRIIF-QHCPKHFHSA-N 0 3 422.525 3.916 20 30 HHEDHN Cc1c(Br)scc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000475336756 996077117 /nfs/dbraw/zinc/07/71/17/996077117.db2.gz YYXPYPAENYKUBS-UHFFFAOYSA-N 0 3 406.349 3.895 20 30 HHEDHN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN(CC1CC1)C1CCC1)CCCC2 ZINC000483292738 996084282 /nfs/dbraw/zinc/08/42/82/996084282.db2.gz LHRRDGUVLQODLB-LJQANCHMSA-N 0 3 410.562 3.621 20 30 HHEDHN C=CCCCCCN(C)C(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000483905915 996461371 /nfs/dbraw/zinc/46/13/71/996461371.db2.gz KOPNKVVOVGQJSL-UHFFFAOYSA-N 0 3 414.594 3.669 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)ccc2Br)CC1 ZINC000476219209 996685393 /nfs/dbraw/zinc/68/53/93/996685393.db2.gz DHENRILVNVEHES-UHFFFAOYSA-N 0 3 416.157 3.982 20 30 HHEDHN COc1ccccc1-c1nc(C2CCN(CCOc3cccc(C#N)c3)CC2)no1 ZINC000484323551 996703198 /nfs/dbraw/zinc/70/31/98/996703198.db2.gz KZYXLWZDKUGLAU-UHFFFAOYSA-N 0 3 404.470 3.875 20 30 HHEDHN CC(C)([C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000484552368 996883768 /nfs/dbraw/zinc/88/37/68/996883768.db2.gz LXNAYNPBYLMDPF-QFIPXVFZSA-N 0 3 412.484 3.980 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)CC1 ZINC000485299934 997704079 /nfs/dbraw/zinc/70/40/79/997704079.db2.gz HSIZEUCAVHPVQW-UHFFFAOYSA-N 0 3 419.591 3.706 20 30 HHEDHN CC(C)NC(=O)Nc1ccc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485314092 997723703 /nfs/dbraw/zinc/72/37/03/997723703.db2.gz DXYYUXDLXADFMF-HTAPYJJXSA-N 0 3 419.529 3.934 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c(OC)c1 ZINC000477461263 998173738 /nfs/dbraw/zinc/17/37/38/998173738.db2.gz AWNHQUVGNQIPMM-VQTJNVASSA-N 0 3 411.498 3.729 20 30 HHEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000486657810 998879770 /nfs/dbraw/zinc/87/97/70/998879770.db2.gz OQKIGHHZWJBPLO-FQEVSTJZSA-N 0 3 403.526 3.803 20 30 HHEDHN N#Cc1ccc(CSCC(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000486956888 999018338 /nfs/dbraw/zinc/01/83/38/999018338.db2.gz SVSIENZKBYUGOM-UHFFFAOYSA-N 0 3 422.598 3.510 20 30 HHEDHN Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488481413 999502799 /nfs/dbraw/zinc/50/27/99/999502799.db2.gz QNNCCOLHZNRWNG-UZLBHIALSA-N 0 3 424.932 3.628 20 30 HHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000488807500 999614600 /nfs/dbraw/zinc/61/46/00/999614600.db2.gz OZWGPIBVEDIJTK-DNVCBOLYSA-N 0 3 411.468 3.827 20 30 HHEDHN C=CCN1CCC(NC(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)CC1 ZINC000489244845 999729386 /nfs/dbraw/zinc/72/93/86/999729386.db2.gz CPJMKGFNIVZHFO-UHFFFAOYSA-N 0 3 412.578 3.752 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000490346253 999941836 /nfs/dbraw/zinc/94/18/36/999941836.db2.gz OCPXWSZHQOFROM-QGZVFWFLSA-N 0 3 402.608 3.951 20 30 HHEDHN Cn1cc(CN2CCC(C(=O)Nc3ccccc3O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490612002 999984288 /nfs/dbraw/zinc/98/42/88/999984288.db2.gz GTUBBCVPHGEPRH-UHFFFAOYSA-N 0 3 415.497 3.515 20 30 HHEDHN Cc1cc(C)n(-c2ccccc2NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000505156567 1000583794 /nfs/dbraw/zinc/58/37/94/1000583794.db2.gz KOYWNKCNNNBNEE-UHFFFAOYSA-N 0 3 416.529 3.957 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CSc3ccc(Br)cc32)CC1 ZINC000494912473 1000727053 /nfs/dbraw/zinc/72/70/53/1000727053.db2.gz WXQOYUUAZWVLDO-INIZCTEOSA-N 0 3 410.381 3.936 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1c(F)cccc1[N+](=O)[O-] ZINC000505609032 1000932571 /nfs/dbraw/zinc/93/25/71/1000932571.db2.gz MTTFEUVYVSHRKE-UHFFFAOYSA-N 0 3 405.499 3.832 20 30 HHEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OCCCC#N ZINC000506272376 1001321664 /nfs/dbraw/zinc/32/16/64/1001321664.db2.gz KVDXLSDHZQKMBU-UHFFFAOYSA-N 0 3 418.541 3.957 20 30 HHEDHN CN1C[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000497399780 1001338111 /nfs/dbraw/zinc/33/81/11/1001338111.db2.gz PCSAJSWILZUKGT-RPBOFIJWSA-N 0 3 411.505 3.965 20 30 HHEDHN CN1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](c2ccccc2)C1 ZINC000497418951 1001352757 /nfs/dbraw/zinc/35/27/57/1001352757.db2.gz SKINSXWCSIATSY-RPBOFIJWSA-N 0 3 411.505 3.965 20 30 HHEDHN COc1ccc(CN2CCC(c3nnc4ccccn43)CC2)cc1OCCCC#N ZINC000506725352 1001506165 /nfs/dbraw/zinc/50/61/65/1001506165.db2.gz GWOBSGKYQPNCGQ-UHFFFAOYSA-N 0 3 405.502 3.800 20 30 HHEDHN N#Cc1ccc(Cl)c(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000507705258 1002296043 /nfs/dbraw/zinc/29/60/43/1002296043.db2.gz UHIIXIJPYLYBRB-UHFFFAOYSA-N 0 3 410.949 3.539 20 30 HHEDHN C=CCc1cc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000507833274 1002375408 /nfs/dbraw/zinc/37/54/08/1002375408.db2.gz KVNAORVWNZVXPO-WIYYLYMNSA-N 0 3 400.906 3.844 20 30 HHEDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507845477 1002384829 /nfs/dbraw/zinc/38/48/29/1002384829.db2.gz AVPZWTYJSSUNCH-UHFFFAOYSA-N 0 3 408.458 3.647 20 30 HHEDHN C/C=C\c1ccc(OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000499053282 1002435962 /nfs/dbraw/zinc/43/59/62/1002435962.db2.gz MEHSUSFCZSUSJR-ALCCZGGFSA-N 0 3 407.514 3.569 20 30 HHEDHN COc1ccc(CN2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cc1OCCCC#N ZINC000508030187 1002552466 /nfs/dbraw/zinc/55/24/66/1002552466.db2.gz WKQMNBHGTKRIQX-FQEVSTJZSA-N 0 3 422.529 3.932 20 30 HHEDHN N#CC1(CCCN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CCOCC1 ZINC000499503360 1002891818 /nfs/dbraw/zinc/89/18/18/1002891818.db2.gz NNLXKVCHRCUJFP-UHFFFAOYSA-N 0 3 404.942 3.980 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)CC1 ZINC000499754222 1003096259 /nfs/dbraw/zinc/09/62/59/1003096259.db2.gz DTSLYSAIERQKBA-OAHLLOKOSA-N 0 3 406.368 3.946 20 30 HHEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)[C@H]2CCCC[C@H]12 ZINC000508658530 1003100802 /nfs/dbraw/zinc/10/08/02/1003100802.db2.gz RLWJHTKWHYPNIA-AFDCHOCNSA-N 0 3 416.610 3.513 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000499773107 1003110837 /nfs/dbraw/zinc/11/08/37/1003110837.db2.gz NIEGIZOUXIRCHE-UHFFFAOYSA-N 0 3 421.545 3.548 20 30 HHEDHN C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508876062 1003296643 /nfs/dbraw/zinc/29/66/43/1003296643.db2.gz WNSGKYLFFPVIIC-WOJBJXKFSA-N 0 3 424.593 3.550 20 30 HHEDHN C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508913550 1003352975 /nfs/dbraw/zinc/35/29/75/1003352975.db2.gz PIJDEUFFLBTZFZ-WIYYLYMNSA-N 0 3 413.566 3.779 20 30 HHEDHN Cc1nc(COc2ccc(CN3CCCN(c4ccccc4C#N)CC3)cc2)no1 ZINC000509097931 1003550344 /nfs/dbraw/zinc/55/03/44/1003550344.db2.gz KHUVFUYFDQNKKL-UHFFFAOYSA-N 0 3 403.486 3.541 20 30 HHEDHN C=CCOc1ccc(CNC(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000509352261 1003782176 /nfs/dbraw/zinc/78/21/76/1003782176.db2.gz XJYFKEDORVTLMB-BGYRXZFFSA-N 0 3 415.578 3.672 20 30 HHEDHN Cc1nccn1CCCCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501046175 1004147541 /nfs/dbraw/zinc/14/75/41/1004147541.db2.gz LLYPTLGDNPPQEU-HXUWFJFHSA-N 0 3 416.367 3.617 20 30 HHEDHN Cn1cc(CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000501145920 1004234660 /nfs/dbraw/zinc/23/46/60/1004234660.db2.gz VOKUZHJPCQSHKH-QFIPXVFZSA-N 0 3 417.557 3.573 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000512831368 1004589379 /nfs/dbraw/zinc/58/93/79/1004589379.db2.gz CILBWHUDAJJLDM-GBXCKJPGSA-N 0 3 424.516 3.996 20 30 HHEDHN Cn1ccnc1COc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000510507688 1004629462 /nfs/dbraw/zinc/62/94/62/1004629462.db2.gz JOQQOFPUUPMSNH-UHFFFAOYSA-N 0 3 402.498 3.914 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000510569075 1004713512 /nfs/dbraw/zinc/71/35/12/1004713512.db2.gz IGDRYCSCWYPYRH-HSZRJFAPSA-N 0 3 422.529 3.712 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000513470162 1004980584 /nfs/dbraw/zinc/98/05/84/1004980584.db2.gz CETNEOOZERCYMW-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)[C@H]2C1 ZINC000502495679 1005092199 /nfs/dbraw/zinc/09/21/99/1005092199.db2.gz FTRCXFJLBZFMTP-JTHBVZDNSA-N 0 3 405.498 3.594 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)N(C)C)cc1 ZINC000511292662 1005111244 /nfs/dbraw/zinc/11/12/44/1005111244.db2.gz XTDMKDPQZJFNOT-QHCPKHFHSA-N 0 3 406.530 3.722 20 30 HHEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC000513790527 1005128857 /nfs/dbraw/zinc/12/88/57/1005128857.db2.gz ZFWDJVSUJLZSFY-MOPGFXCFSA-N 0 3 400.906 3.742 20 30 HHEDHN Cc1cc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)nn1-c1cccc(C#N)c1 ZINC000502927552 1005278422 /nfs/dbraw/zinc/27/84/22/1005278422.db2.gz CPJCTZMGFVBWTJ-LJQANCHMSA-N 0 3 419.554 3.756 20 30 HHEDHN CCN(CC)[C@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccsc1 ZINC000502961547 1005293599 /nfs/dbraw/zinc/29/35/99/1005293599.db2.gz RXYOIYQPIZYAPF-OAQYLSRUSA-N 0 3 407.543 3.927 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000514163028 1005294808 /nfs/dbraw/zinc/29/48/08/1005294808.db2.gz SHSRPPCMCITOKZ-OAQYLSRUSA-N 0 3 409.530 3.506 20 30 HHEDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000514242079 1005329172 /nfs/dbraw/zinc/32/91/72/1005329172.db2.gz PVUNPPSOXGEBPW-GDBMZVCRSA-N 0 3 402.539 3.598 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000514874292 1006176237 /nfs/dbraw/zinc/17/62/37/1006176237.db2.gz LYDPNDXSWAYFPG-INIZCTEOSA-N 0 3 417.554 3.751 20 30 HHEDHN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000514976913 1006233897 /nfs/dbraw/zinc/23/38/97/1006233897.db2.gz KXYRJMVMPMUQHR-JOCHJYFZSA-N 0 3 418.585 3.892 20 30 HHEDHN COc1cccc(OC)c1OCCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000515014225 1006249339 /nfs/dbraw/zinc/24/93/39/1006249339.db2.gz MEPWXARAUDTEPF-UHFFFAOYSA-N 0 3 409.530 3.552 20 30 HHEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)CC1 ZINC000531587015 1006288616 /nfs/dbraw/zinc/28/86/16/1006288616.db2.gz CCIVMGNXTAAVNA-RBUKOAKNSA-N 0 3 415.607 3.571 20 30 HHEDHN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000538373033 1006643944 /nfs/dbraw/zinc/64/39/44/1006643944.db2.gz VKCPBHWLIDSFPE-JTSKRJEESA-N 0 3 412.509 3.547 20 30 HHEDHN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538390802 1006660427 /nfs/dbraw/zinc/66/04/27/1006660427.db2.gz ZEGOGIXXVNGRAR-WAIKUNEKSA-N 0 3 423.488 3.973 20 30 HHEDHN CCN(C[C@H](C)C#N)C(=O)CN(Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000538788664 1007070555 /nfs/dbraw/zinc/07/05/55/1007070555.db2.gz ULRLLVMVKZFIIX-GOSISDBHSA-N 0 3 401.551 3.847 20 30 HHEDHN C[C@](C#N)(CCc1ccccc1)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000532687290 1007101377 /nfs/dbraw/zinc/10/13/77/1007101377.db2.gz KVVZKFCHEKIYDE-RUZDIDTESA-N 0 3 404.558 3.620 20 30 HHEDHN C=CCCO[C@@H](C)C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000538924341 1007209075 /nfs/dbraw/zinc/20/90/75/1007209075.db2.gz HCJLGDKYKPBMQI-NRFANRHFSA-N 0 3 407.558 3.971 20 30 HHEDHN CCN(CCC#N)C(=O)CN(Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@H]1C ZINC000538956203 1007244267 /nfs/dbraw/zinc/24/42/67/1007244267.db2.gz OWRZUEGGVSDGGP-UYAOXDASSA-N 0 3 401.551 3.847 20 30 HHEDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CSc1ccc(C#N)cc1 ZINC000535275715 1007326895 /nfs/dbraw/zinc/32/68/95/1007326895.db2.gz HVAWQFPZSNLSCS-HXUWFJFHSA-N 0 3 409.555 3.869 20 30 HHEDHN COC(=O)CC1(NCC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCCC1 ZINC000533068115 1007431362 /nfs/dbraw/zinc/43/13/62/1007431362.db2.gz KKXSFTQOHYFGBH-MRXNPFEDSA-N 0 3 403.548 3.875 20 30 HHEDHN CCOc1ccc(F)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1F ZINC000535494041 1007551989 /nfs/dbraw/zinc/55/19/89/1007551989.db2.gz OYAFTMOWWFJQPE-UHFFFAOYSA-N 0 3 402.445 3.831 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)CC1 ZINC000517304664 1007552737 /nfs/dbraw/zinc/55/27/37/1007552737.db2.gz XAZUUDWUJXMIGQ-UHFFFAOYSA-N 0 3 424.545 3.598 20 30 HHEDHN COc1ccc([C@H](Cc2ccc(F)cc2)NCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000539278673 1007574231 /nfs/dbraw/zinc/57/42/31/1007574231.db2.gz VMUCFSVMOVBGGX-DEOSSOPVSA-N 0 3 417.484 3.896 20 30 HHEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000517653977 1007866302 /nfs/dbraw/zinc/86/63/02/1007866302.db2.gz PWABEALXDRAIBV-UHFFFAOYSA-N 0 3 404.558 3.898 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)N(C)C)cc1 ZINC000517743759 1007942069 /nfs/dbraw/zinc/94/20/69/1007942069.db2.gz JCSJTUVIPICTOL-XMMPIXPASA-N 0 3 419.573 3.645 20 30 HHEDHN CN1CC[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1 ZINC000533948016 1008225480 /nfs/dbraw/zinc/22/54/80/1008225480.db2.gz LWVOTVYAVXQUDX-VQTJNVASSA-N 0 3 401.432 3.802 20 30 HHEDHN COc1ccc(CN[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1OCCCC#N ZINC000518285119 1008239412 /nfs/dbraw/zinc/23/94/12/1008239412.db2.gz IFUPJRHWUGYLPN-KRWDZBQOSA-N 0 3 413.905 3.926 20 30 HHEDHN CC(=O)Nc1ccc(S[C@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000518289565 1008241846 /nfs/dbraw/zinc/24/18/46/1008241846.db2.gz XVTJIMFNZNLCGE-QGZVFWFLSA-N 0 3 424.570 3.588 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000540435623 1008433157 /nfs/dbraw/zinc/43/31/57/1008433157.db2.gz NVELNLAUTJVLIR-IBGZPJMESA-N 0 3 417.513 3.868 20 30 HHEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000540549012 1008476912 /nfs/dbraw/zinc/47/69/12/1008476912.db2.gz ITUZFKZEAKAKQF-REWPJTCUSA-N 0 3 410.587 3.786 20 30 HHEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000540549011 1008476945 /nfs/dbraw/zinc/47/69/45/1008476945.db2.gz ITUZFKZEAKAKQF-OFNKIYASSA-N 0 3 410.587 3.786 20 30 HHEDHN CS[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H]1N(C)C ZINC000545421712 1008530719 /nfs/dbraw/zinc/53/07/19/1008530719.db2.gz CLEYIGAWBVTAFE-VXKWHMMOSA-N 0 3 424.570 3.841 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(F)(c3cc(OC)cc(OC)c3)CC2)CC1 ZINC000548997153 1008571427 /nfs/dbraw/zinc/57/14/27/1008571427.db2.gz SIEFMFJWNOPCTD-UHFFFAOYSA-N 0 3 419.541 3.715 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000519282868 1008693891 /nfs/dbraw/zinc/69/38/91/1008693891.db2.gz WMDFOFXRVMUWFK-LJQANCHMSA-N 0 3 422.367 3.573 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000543349051 1008935254 /nfs/dbraw/zinc/93/52/54/1008935254.db2.gz IJKLASCIULKUSA-IBGZPJMESA-N 0 3 422.529 3.712 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000543352659 1008940343 /nfs/dbraw/zinc/94/03/43/1008940343.db2.gz USYSAVYXWKJVMQ-LJQANCHMSA-N 0 3 414.598 3.782 20 30 HHEDHN C=CCOCCCC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000519738008 1008990602 /nfs/dbraw/zinc/99/06/02/1008990602.db2.gz VVSDGKSDXZCMNA-UHFFFAOYSA-N 0 3 409.368 3.855 20 30 HHEDHN COc1cccc([C@H]2[C@@H](NCC(=O)Nc3ccc(C#N)c(Cl)c3)CCN2C2CC2)c1 ZINC000549476303 1009073604 /nfs/dbraw/zinc/07/36/04/1009073604.db2.gz MJMRVEBLBSPECR-GMAHTHKFSA-N 0 3 424.932 3.726 20 30 HHEDHN CC(C)C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccs1 ZINC000543487190 1009076163 /nfs/dbraw/zinc/07/61/63/1009076163.db2.gz YDOMZBVBSNWMGO-MSOLQXFVSA-N 0 3 416.616 3.895 20 30 HHEDHN C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1CCN(C2CCOCC2)CC1 ZINC000549656785 1009285192 /nfs/dbraw/zinc/28/51/92/1009285192.db2.gz QVKOWLXFGOZMAS-UHFFFAOYSA-N 0 3 417.557 3.975 20 30 HHEDHN CC(C)CCc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000520143915 1009295652 /nfs/dbraw/zinc/29/56/52/1009295652.db2.gz FKOIDKOKQQFKDG-UHFFFAOYSA-N 0 3 420.557 3.676 20 30 HHEDHN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000549691201 1009320968 /nfs/dbraw/zinc/32/09/68/1009320968.db2.gz YRXOPIYQTWOFPX-UNMCSNQZSA-N 0 3 409.578 3.555 20 30 HHEDHN CC(C)CCc1ccccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000520244264 1009364564 /nfs/dbraw/zinc/36/45/64/1009364564.db2.gz URPMIUZMFLMISA-UHFFFAOYSA-N 0 3 420.557 3.676 20 30 HHEDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543884115 1009459601 /nfs/dbraw/zinc/45/96/01/1009459601.db2.gz FHMWZSDYZLYNQH-UHFFFAOYSA-N 0 3 422.920 3.993 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCCN(Cc4ccccc4)C3)n2)c(F)c1 ZINC000543888786 1009466035 /nfs/dbraw/zinc/46/60/35/1009466035.db2.gz CNAJJCRVBVTCMV-IBGZPJMESA-N 0 3 418.476 3.669 20 30 HHEDHN CS[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H]1N(C)C ZINC000546851805 1009812744 /nfs/dbraw/zinc/81/27/44/1009812744.db2.gz RSWMXLJUOTYVNU-YLJYHZDGSA-N 0 3 414.506 3.999 20 30 HHEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H](c1cccs1)C1CC1 ZINC000544399309 1010019657 /nfs/dbraw/zinc/01/96/57/1010019657.db2.gz ADCGXYPFIRWYCW-HXUWFJFHSA-N 0 3 400.548 3.754 20 30 HHEDHN C[C@@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H](c1ccccc1)N(C)C ZINC000550766604 1010164371 /nfs/dbraw/zinc/16/43/71/1010164371.db2.gz WXQXEVRMOXTONP-KDOFPFPSSA-N 0 3 412.559 3.663 20 30 HHEDHN N#Cc1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)cc1Cl ZINC000547976949 1010492189 /nfs/dbraw/zinc/49/21/89/1010492189.db2.gz GYMWGXYNNRPGHA-UHFFFAOYSA-N 0 3 401.869 3.624 20 30 HHEDHN C=CCn1c(SCCCN2CCN(C(C)C)CC2)nnc1-c1ccc(F)cc1 ZINC000551412859 1010570504 /nfs/dbraw/zinc/57/05/04/1010570504.db2.gz NMQXEDPIZNRJAD-UHFFFAOYSA-N 0 3 403.571 3.778 20 30 HHEDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 ZINC000551541184 1010648150 /nfs/dbraw/zinc/64/81/50/1010648150.db2.gz VIGRUVIBKRXSSU-OAQYLSRUSA-N 0 3 419.481 3.772 20 30 HHEDHN C[C@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000548883957 1010752080 /nfs/dbraw/zinc/75/20/80/1010752080.db2.gz UTZLBOYSRLKMIB-OAQYLSRUSA-N 0 3 416.569 3.809 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1-c1ccccc1Cl ZINC000540641035 1011290739 /nfs/dbraw/zinc/29/07/39/1011290739.db2.gz QFRWBXZPJZXLLU-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1-c1cc(C)cc(C)c1 ZINC000540723147 1011375933 /nfs/dbraw/zinc/37/59/33/1011375933.db2.gz HQBWUKAUHBCFQU-UHFFFAOYSA-N 0 3 415.541 3.873 20 30 HHEDHN N#Cc1ccc(CN2CCC(Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)CC2)cc1 ZINC000540974414 1011608459 /nfs/dbraw/zinc/60/84/59/1011608459.db2.gz AWXSVJGVPOWDAT-QHCPKHFHSA-N 0 3 404.514 3.752 20 30 HHEDHN Cc1cc(NC(=O)N2CCC(CC#N)CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000541040367 1011677477 /nfs/dbraw/zinc/67/74/77/1011677477.db2.gz ALSBTLXYDXPFHM-OAQYLSRUSA-N 0 3 406.534 3.796 20 30 HHEDHN N#Cc1ccccc1OCCN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000537017344 1012318961 /nfs/dbraw/zinc/31/89/61/1012318961.db2.gz UFTMVNNHTIJZFQ-LJQANCHMSA-N 0 3 417.431 3.909 20 30 HHEDHN N#Cc1ccc(Cl)cc1NC(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000537039881 1012358657 /nfs/dbraw/zinc/35/86/57/1012358657.db2.gz RNMTUGQJNMMBFY-UHFFFAOYSA-N 0 3 411.889 3.980 20 30 HHEDHN CN1CCN(CCCNc2nc(C(F)(F)F)ccc2C#N)[C@@H](c2ccccc2)C1 ZINC000523755318 1012381261 /nfs/dbraw/zinc/38/12/61/1012381261.db2.gz MIHHLPUTTIXQMO-GOSISDBHSA-N 0 3 403.452 3.763 20 30 HHEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537108451 1012478712 /nfs/dbraw/zinc/47/87/12/1012478712.db2.gz UHBAWZVQZCBOKJ-ZWKOTPCHSA-N 0 3 423.536 3.517 20 30 HHEDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)N(C)C)cc1 ZINC000552457016 1012482174 /nfs/dbraw/zinc/48/21/74/1012482174.db2.gz DPMICLKOJCQLPD-GOSISDBHSA-N 0 3 420.435 3.792 20 30 HHEDHN CC(C)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000537173075 1012579149 /nfs/dbraw/zinc/57/91/49/1012579149.db2.gz ZWGKAQHTJJVDQB-UPVQGACJSA-N 0 3 408.521 3.521 20 30 HHEDHN N#CC(C(=O)Nc1cccc(-c2nnc3n2CCC3)c1)c1nc2ccccc2s1 ZINC000523958445 1012702004 /nfs/dbraw/zinc/70/20/04/1012702004.db2.gz XZEUKVNQEHGLPH-HNNXBMFYSA-N 0 3 400.467 3.747 20 30 HHEDHN CN1CCN(c2ccncc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000524147633 1012934818 /nfs/dbraw/zinc/93/48/18/1012934818.db2.gz PHQNFVMMGDNTTI-UHFFFAOYSA-N 0 3 413.481 3.750 20 30 HHEDHN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CNC3(CO)CCCC3)sc2C1 ZINC001168323656 1072504671 /nfs/dbraw/zinc/50/46/71/1072504671.db2.gz DIVHGVLPJBCUSG-HNNXBMFYSA-N 0 3 403.592 3.994 20 30 HHEDHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000555244179 1073286290 /nfs/dbraw/zinc/28/62/90/1073286290.db2.gz YAVPXLAMUOUINL-RTBURBONSA-N 0 3 412.582 3.565 20 30 HHEDHN CC(C)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)N1CCc2ccccc2C1 ZINC000555263912 1073296224 /nfs/dbraw/zinc/29/62/24/1073296224.db2.gz DPCRRRWSLQCNEI-IBGZPJMESA-N 0 3 416.447 3.785 20 30 HHEDHN C=C(C)Cn1c(CC2CC2)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000555268499 1073300554 /nfs/dbraw/zinc/30/05/54/1073300554.db2.gz MKSZVKUXTDWHJZ-KDURUIRLSA-N 0 3 401.599 3.522 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)c1 ZINC000591512075 1074346144 /nfs/dbraw/zinc/34/61/44/1074346144.db2.gz XUZHDGOWIIVJFJ-UHFFFAOYSA-N 0 3 422.573 3.923 20 30 HHEDHN C=CCN1CCC(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1 ZINC000592069292 1074687283 /nfs/dbraw/zinc/68/72/83/1074687283.db2.gz ZBVBSWOEXHYNGW-UHFFFAOYSA-N 0 3 419.451 3.544 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CC1 ZINC000592075516 1074687737 /nfs/dbraw/zinc/68/77/37/1074687737.db2.gz ALQUTWCOPDUCPD-UHFFFAOYSA-N 0 3 410.415 3.801 20 30 HHEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000760936014 1074700444 /nfs/dbraw/zinc/70/04/44/1074700444.db2.gz KOAXQBKWFWTXJC-JKSUJKDBSA-N 0 3 413.543 3.916 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OC)c(OC3CCCC3)c2)CC1 ZINC000592302374 1074719814 /nfs/dbraw/zinc/71/98/14/1074719814.db2.gz QIQCVZOPQQLWFB-UHFFFAOYSA-N 0 3 401.551 3.856 20 30 HHEDHN Oc1ccc(Br)cc1/C=N\C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000760977990 1074770261 /nfs/dbraw/zinc/77/02/61/1074770261.db2.gz FUDFJPSNBQWTDI-ZIHVZMLCSA-N 0 3 403.320 3.865 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CC1 ZINC000592526138 1074781268 /nfs/dbraw/zinc/78/12/68/1074781268.db2.gz RANAPSFUCXCKRN-UHFFFAOYSA-N 0 3 417.351 3.649 20 30 HHEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@H](C)OC2CCCCCC2)cc1 ZINC000761036061 1075224292 /nfs/dbraw/zinc/22/42/92/1075224292.db2.gz IMRUCGKRZPLODG-KXBFYZLASA-N 0 3 400.475 3.639 20 30 HHEDHN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H]4NCCO[C@H]4C3)cc2c1Cl ZINC001164390120 718827054 /nfs/dbraw/zinc/82/70/54/718827054.db2.gz MULOCYTYWNJVLZ-GJZGRUSLSA-N 0 3 413.255 3.525 20 30 HHEDHN N#Cc1ccc(-c2cccs2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879430 721150355 /nfs/dbraw/zinc/15/03/55/721150355.db2.gz SDQZIVFZKZILOX-VQTJNVASSA-N 0 3 417.538 3.556 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000302940501 971407863 /nfs/dbraw/zinc/40/78/63/971407863.db2.gz AOFOARASFZWRSS-UHFFFAOYSA-N 0 3 422.529 3.954 20 30 HHEDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000303253366 971582438 /nfs/dbraw/zinc/58/24/38/971582438.db2.gz BULADOLBZKOLPQ-NRFANRHFSA-N 0 3 415.497 3.532 20 30 HHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000553357516 1013297424 /nfs/dbraw/zinc/29/74/24/1013297424.db2.gz SWVLQIHLJGWICS-INIZCTEOSA-N 0 3 405.477 3.979 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)C[C@H](C)O1 ZINC000553444097 1013358088 /nfs/dbraw/zinc/35/80/88/1013358088.db2.gz UBLLGNBTWVFCFK-IYBDPMFKSA-N 0 3 401.942 3.575 20 30 HHEDHN N#Cc1cccc(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000048745107 964050414 /nfs/dbraw/zinc/05/04/14/964050414.db2.gz KIDBZYLGRPNEON-UHFFFAOYSA-N 0 3 401.489 3.709 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000058580538 965793025 /nfs/dbraw/zinc/79/30/25/965793025.db2.gz GJTCVTVPQIGSCO-SFHVURJKSA-N 0 3 420.340 3.817 20 30 HHEDHN Cc1nc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)sc1SCC#N ZINC000061161995 966385893 /nfs/dbraw/zinc/38/58/93/966385893.db2.gz AVERUPKVTXTOOK-UHFFFAOYSA-N 0 3 415.588 3.850 20 30 HHEDHN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041556358 966593856 /nfs/dbraw/zinc/59/38/56/966593856.db2.gz MIBGNPNLKQOTKO-MRXNPFEDSA-N 0 3 404.348 3.507 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)n1 ZINC000542837834 1013699779 /nfs/dbraw/zinc/69/97/79/1013699779.db2.gz SAXQNCYMDWLLDV-GOSISDBHSA-N 0 3 418.476 3.669 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000044566412 967241485 /nfs/dbraw/zinc/24/14/85/967241485.db2.gz UFXXVBRMZDLTSI-UHFFFAOYSA-N 0 3 407.905 3.601 20 30 HHEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC#Cc1ccccc1 ZINC000064754488 967284062 /nfs/dbraw/zinc/28/40/62/967284062.db2.gz CZRHERTXJPMCJO-UHFFFAOYSA-N 0 3 403.448 3.830 20 30 HHEDHN CCOC(=O)c1cnc2ccccc2c1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000065226878 967413562 /nfs/dbraw/zinc/41/35/62/967413562.db2.gz NMKQQLLXPIYCFG-UHFFFAOYSA-N 0 3 414.509 3.995 20 30 HHEDHN C[C@H](OC[C@H](O)CN1CCCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000046086919 967656970 /nfs/dbraw/zinc/65/69/70/967656970.db2.gz ICAWFWLOMYDHHY-PGRDOPGGSA-N 0 3 413.949 3.862 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN[C@@H](CO)C2CCCCC2)c1C#N ZINC000542914537 1013754229 /nfs/dbraw/zinc/75/42/29/1013754229.db2.gz QKJSPCDEMNBBLJ-NRFANRHFSA-N 0 3 412.509 3.574 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN[C@H](CO)C2CCCCC2)c1C#N ZINC000542914540 1013754248 /nfs/dbraw/zinc/75/42/48/1013754248.db2.gz QKJSPCDEMNBBLJ-OAQYLSRUSA-N 0 3 412.509 3.574 20 30 HHEDHN Cc1oc(-c2cccs2)nc1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010168 968030666 /nfs/dbraw/zinc/03/06/66/968030666.db2.gz LHRSRIVSGNYLHW-UHFFFAOYSA-N 0 3 408.527 3.716 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000047011701 968031162 /nfs/dbraw/zinc/03/11/62/968031162.db2.gz JAPSZWSICDKVKV-UHFFFAOYSA-N 0 3 402.498 3.736 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000047011788 968031472 /nfs/dbraw/zinc/03/14/72/968031472.db2.gz CIHHIWISRHVITA-UHFFFAOYSA-N 0 3 407.905 3.806 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000538237045 1013785490 /nfs/dbraw/zinc/78/54/90/1013785490.db2.gz HILBSOQOYRFOOV-OALUTQOASA-N 0 3 417.513 3.867 20 30 HHEDHN CN(CCC(=O)Nc1sccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911336 968359839 /nfs/dbraw/zinc/35/98/39/968359839.db2.gz GSSRYKDCUVFYIM-RDJZCZTQSA-N 0 3 410.326 3.845 20 30 HHEDHN CCN1CCN(c2ccc(NC(=O)CSCc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000048214235 968486581 /nfs/dbraw/zinc/48/65/81/968486581.db2.gz AHYKWDRYPJCDDP-UHFFFAOYSA-N 0 3 408.571 3.881 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000065930425 968720452 /nfs/dbraw/zinc/72/04/52/968720452.db2.gz HHROICCXQVOGPQ-UHFFFAOYSA-N 0 3 407.905 3.601 20 30 HHEDHN Cc1ccc(C)n1-c1nc(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cs1 ZINC000065930467 968720501 /nfs/dbraw/zinc/72/05/01/968720501.db2.gz LOPXAMISXUTINU-UHFFFAOYSA-N 0 3 421.570 3.555 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccccc1C(F)(F)F ZINC000065930539 968720888 /nfs/dbraw/zinc/72/08/88/968720888.db2.gz BVMDCAHOOZZIGD-UHFFFAOYSA-N 0 3 405.420 3.546 20 30 HHEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1OC ZINC000065937327 968726076 /nfs/dbraw/zinc/72/60/76/968726076.db2.gz YBVKLHIAECUNBV-UHFFFAOYSA-N 0 3 404.457 3.742 20 30 HHEDHN C=CCOc1c(Br)cc(CNCCC(=O)Nc2ccccn2)cc1OC ZINC000065977854 968748356 /nfs/dbraw/zinc/74/83/56/968748356.db2.gz IUAPIFPWLLITDK-UHFFFAOYSA-N 0 3 420.307 3.536 20 30 HHEDHN C=CCN(CC=C)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000096969271 969066752 /nfs/dbraw/zinc/06/67/52/969066752.db2.gz RCUNGWRAQQNBKQ-UHFFFAOYSA-N 0 3 404.558 3.621 20 30 HHEDHN CN(C)[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000097357757 969126382 /nfs/dbraw/zinc/12/63/82/969126382.db2.gz AITARENLBPLHCH-HXUWFJFHSA-N 0 3 403.448 3.529 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000107578953 969317133 /nfs/dbraw/zinc/31/71/33/969317133.db2.gz DCGJSBFTMDYHIR-GOSISDBHSA-N 0 3 413.543 3.741 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(Cl)c2cccnc12 ZINC000108269046 969369349 /nfs/dbraw/zinc/36/93/49/969369349.db2.gz POYDSXBXJZSBQC-UHFFFAOYSA-N 0 3 422.916 3.729 20 30 HHEDHN Cc1noc([C@@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C2)n1 ZINC000110985508 969754428 /nfs/dbraw/zinc/75/44/28/969754428.db2.gz OIJSRYDWLOEWDD-UKRRQHHQSA-N 0 3 413.547 3.644 20 30 HHEDHN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000111176563 969794559 /nfs/dbraw/zinc/79/45/59/969794559.db2.gz CCCMFLCHLMXIMW-HSZRJFAPSA-N 0 3 417.488 3.757 20 30 HHEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1OC ZINC000116072561 969870646 /nfs/dbraw/zinc/87/06/46/969870646.db2.gz ATBLHBWYEPMKEC-UHFFFAOYSA-N 0 3 404.457 3.742 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000195661863 969940607 /nfs/dbraw/zinc/94/06/07/969940607.db2.gz PLQCIDXPABQQMR-FQEVSTJZSA-N 0 3 411.546 3.959 20 30 HHEDHN COc1nn(C)c2nc(C)c(CCC(=O)C(C#N)c3nc4ccccc4o3)c(C)c12 ZINC000195557138 970511392 /nfs/dbraw/zinc/51/13/92/970511392.db2.gz WJGGHJFJDODRBN-HNNXBMFYSA-N 0 3 403.442 3.544 20 30 HHEDHN N#Cc1ccc(Br)cc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404215813 972883456 /nfs/dbraw/zinc/88/34/56/972883456.db2.gz XJBDIFWHOCQZFH-NHCUHLMSSA-N 0 3 412.331 3.800 20 30 HHEDHN N#Cc1ccc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000426136886 974258271 /nfs/dbraw/zinc/25/82/71/974258271.db2.gz CBCSZYCDLHXXMG-UHFFFAOYSA-N 0 3 411.937 3.936 20 30 HHEDHN Cc1ccc(-c2noc(CCCN3CC[C@H](Oc4ccc(C#N)cn4)C3)n2)cc1F ZINC000428775706 976048954 /nfs/dbraw/zinc/04/89/54/976048954.db2.gz AQGKIMJSGNBGNJ-SFHVURJKSA-N 0 3 407.449 3.537 20 30 HHEDHN N#Cc1ccc(CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000429036070 976319420 /nfs/dbraw/zinc/31/94/20/976319420.db2.gz QMJDTUDGQYZDHU-XMMPIXPASA-N 0 3 418.541 3.523 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000429222149 976515574 /nfs/dbraw/zinc/51/55/74/976515574.db2.gz PYTYMAKNSRMGLQ-IYBDPMFKSA-N 0 3 404.942 3.955 20 30 HHEDHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000429385688 976659146 /nfs/dbraw/zinc/65/91/46/976659146.db2.gz IEVQPQFQNLYBMG-XMMPIXPASA-N 0 3 424.633 3.994 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000429793903 977071828 /nfs/dbraw/zinc/07/18/28/977071828.db2.gz NLKBZCJKWIAKJH-UHFFFAOYSA-N 0 3 422.529 3.644 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)CC1 ZINC000430571154 977637729 /nfs/dbraw/zinc/63/77/29/977637729.db2.gz LJOGSGZFZWQCON-UHFFFAOYSA-N 0 3 415.969 3.826 20 30 HHEDHN C=CCN1C(=O)N(C[C@@H](c2cccs2)N2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430969752 977919398 /nfs/dbraw/zinc/91/93/98/977919398.db2.gz FEGUBWFBPQDMNS-PMACEKPBSA-N 0 3 409.555 3.947 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C(=O)[C@H]1Cc1ccccc1 ZINC000431224089 978104907 /nfs/dbraw/zinc/10/49/07/978104907.db2.gz MJOOOWAJRXJAOL-WWPVKYPJSA-N 0 3 403.526 3.568 20 30 HHEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](Oc4ccncc4)C3)sc2C1 ZINC000431610378 978382737 /nfs/dbraw/zinc/38/27/37/978382737.db2.gz PXSRRPKXSLUTLK-DOTOQJQBSA-N 0 3 410.543 3.621 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000431760242 978491078 /nfs/dbraw/zinc/49/10/78/978491078.db2.gz RNZALDHJXMFHSJ-CQSZACIVSA-N 0 3 403.914 3.791 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)N(C)C)cc1 ZINC000432591503 978903593 /nfs/dbraw/zinc/90/35/93/978903593.db2.gz FLWUXGAMDZNHBD-QFIPXVFZSA-N 0 3 406.530 3.649 20 30 HHEDHN N#CCCC[C@@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 ZINC000433009173 979040693 /nfs/dbraw/zinc/04/06/93/979040693.db2.gz GQHPPVCHLLGGTM-GOSISDBHSA-N 0 3 408.893 3.884 20 30 HHEDHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433021477 979044413 /nfs/dbraw/zinc/04/44/13/979044413.db2.gz XIQXNTXETSTZTI-NHCUHLMSSA-N 0 3 407.514 3.700 20 30 HHEDHN N#CCCn1cc(CNCc2cc(Br)cs2)c(-c2ccncc2)n1 ZINC000433320446 979234697 /nfs/dbraw/zinc/23/46/97/979234697.db2.gz LNUIVQOZMBYWRY-UHFFFAOYSA-N 0 3 402.321 3.973 20 30 HHEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)COc1ccccc1C#N ZINC000434314620 980076050 /nfs/dbraw/zinc/07/60/50/980076050.db2.gz MFMCGKFSLOORCY-OAQYLSRUSA-N 0 3 415.497 3.528 20 30 HHEDHN CN(CCC(=O)Nc1cccc(C#N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000434788094 980399080 /nfs/dbraw/zinc/39/90/80/980399080.db2.gz XNQCDROAXFBPLT-UYAOXDASSA-N 0 3 404.297 3.784 20 30 HHEDHN CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434861499 980454728 /nfs/dbraw/zinc/45/47/28/980454728.db2.gz NQYMSNSIAMDFNU-OAQYLSRUSA-N 0 3 420.538 3.740 20 30 HHEDHN N#CCCn1cc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c(-c2ccncc2)n1 ZINC000434981135 980547043 /nfs/dbraw/zinc/54/70/43/980547043.db2.gz CZDMRFFYUOGLDF-UHFFFAOYSA-N 0 3 419.504 3.567 20 30 HHEDHN N#CCCn1cc(CN2CCC(CO)(Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000434993577 980555660 /nfs/dbraw/zinc/55/56/60/980555660.db2.gz ZLIHBTINDQPZMA-UHFFFAOYSA-N 0 3 415.541 3.676 20 30 HHEDHN CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccncc2)CCN1Cc1ccccc1 ZINC000435137405 980668861 /nfs/dbraw/zinc/66/88/61/980668861.db2.gz LHGGUXNVUPHPST-UHFFFAOYSA-N 0 3 414.557 3.955 20 30 HHEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435375958 980825216 /nfs/dbraw/zinc/82/52/16/980825216.db2.gz XFAXVZHAWNYHTL-RXVVDRJESA-N 0 3 415.497 3.608 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)c1 ZINC000436095372 981197530 /nfs/dbraw/zinc/19/75/30/981197530.db2.gz ACCMANYNICOZLK-UHFFFAOYSA-N 0 3 416.569 3.617 20 30 HHEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000436176462 981235862 /nfs/dbraw/zinc/23/58/62/981235862.db2.gz QNKVODYZAULDQN-UHFFFAOYSA-N 0 3 422.916 3.982 20 30 HHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000436324784 981299773 /nfs/dbraw/zinc/29/97/73/981299773.db2.gz MJKIFNBGPUKXGA-JWQCQUIFSA-N 0 3 416.569 3.887 20 30 HHEDHN N#Cc1ccc(OCCNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000460265564 982042433 /nfs/dbraw/zinc/04/24/33/982042433.db2.gz LJJNDKLKHOHJMW-NRFANRHFSA-N 0 3 417.431 3.508 20 30 HHEDHN CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000460272617 982048848 /nfs/dbraw/zinc/04/88/48/982048848.db2.gz ZQGMDVCAZHCCSY-RBUKOAKNSA-N 0 3 400.530 3.936 20 30 HHEDHN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460550635 982337120 /nfs/dbraw/zinc/33/71/20/982337120.db2.gz WXBVJTRBBUELTA-UHFFFAOYSA-N 0 3 413.529 3.500 20 30 HHEDHN C=C(C)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1C(C)(C)c1ccccc1 ZINC000460937743 982676016 /nfs/dbraw/zinc/67/60/16/982676016.db2.gz IHWZLONFQKPMLH-FQEVSTJZSA-N 0 3 423.605 3.870 20 30 HHEDHN C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000460950115 982684364 /nfs/dbraw/zinc/68/43/64/982684364.db2.gz DRPVCSKNERATBN-NHCUHLMSSA-N 0 3 416.573 3.939 20 30 HHEDHN CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000438661796 982979831 /nfs/dbraw/zinc/97/98/31/982979831.db2.gz AQRIZXGVRNWLII-VQIMIIECSA-N 0 3 424.932 3.834 20 30 HHEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000439231425 983321037 /nfs/dbraw/zinc/32/10/37/983321037.db2.gz BDMBMZDWWOPENR-GOSISDBHSA-N 0 3 417.962 3.744 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000439725268 983516194 /nfs/dbraw/zinc/51/61/94/983516194.db2.gz CBVGRCJXSYXOBW-JOCHJYFZSA-N 0 3 418.541 3.820 20 30 HHEDHN CCC[C@H]1CN(CCOc2cccc(C#N)c2)CCN1CCOc1cccc(C#N)c1 ZINC000440571047 983799426 /nfs/dbraw/zinc/79/94/26/983799426.db2.gz KXVMAPAMKMNIGG-QHCPKHFHSA-N 0 3 418.541 3.674 20 30 HHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000441695276 984400800 /nfs/dbraw/zinc/40/08/00/984400800.db2.gz XKPUJTCTMPBAMH-LZJOCLMNSA-N 0 3 424.570 3.684 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461924052 984934015 /nfs/dbraw/zinc/93/40/15/984934015.db2.gz ZLGRVDLDOKEWCU-IAGOWNOFSA-N 0 3 409.452 3.776 20 30 HHEDHN Cc1ccccc1-c1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n(C)n1 ZINC000462088402 985059426 /nfs/dbraw/zinc/05/94/26/985059426.db2.gz CZCKXPFXMNEJLI-UHFFFAOYSA-N 0 3 416.529 3.863 20 30 HHEDHN Cc1nc(SCC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c(C#N)c(C)c1C ZINC000462191447 985173475 /nfs/dbraw/zinc/17/34/75/985173475.db2.gz SOCRBQDFMOXCRE-BTYIYWSLSA-N 0 3 408.571 3.607 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000462252688 985236373 /nfs/dbraw/zinc/23/63/73/985236373.db2.gz CJBRSTZKMOXECI-KSSFIOAISA-N 0 3 400.429 3.802 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463017915 985974660 /nfs/dbraw/zinc/97/46/60/985974660.db2.gz YFUDWWKDUDBJPG-DVECYGJZSA-N 0 3 418.541 3.632 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000463275210 986242215 /nfs/dbraw/zinc/24/22/15/986242215.db2.gz URPXEEWVFSIVIF-XMSQKQJNSA-N 0 3 408.502 3.813 20 30 HHEDHN Cc1cc(Br)cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000463505768 986481710 /nfs/dbraw/zinc/48/17/10/986481710.db2.gz GBZLODGGYNKRIQ-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN CCN1CCN(c2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000468812799 986521485 /nfs/dbraw/zinc/52/14/85/986521485.db2.gz DJYQZTCGFHEWSW-FQEVSTJZSA-N 0 3 416.447 3.842 20 30 HHEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000463566436 986543107 /nfs/dbraw/zinc/54/31/07/986543107.db2.gz BYZICOIQUYKHRL-KDURUIRLSA-N 0 3 416.562 3.612 20 30 HHEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000463566437 986543407 /nfs/dbraw/zinc/54/34/07/986543407.db2.gz BYZICOIQUYKHRL-OALUTQOASA-N 0 3 416.562 3.612 20 30 HHEDHN COc1ccc(C[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)c2ccc(OC)cc2)cc1 ZINC000469152238 986876474 /nfs/dbraw/zinc/87/64/74/986876474.db2.gz WBDVLILIFKSPEK-VGSWGCGISA-N 0 3 407.514 3.528 20 30 HHEDHN Cc1c(Br)ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1F ZINC000469160496 986885014 /nfs/dbraw/zinc/88/50/14/986885014.db2.gz YPAHBYWBBTWBCG-UHFFFAOYSA-N 0 3 418.310 3.972 20 30 HHEDHN C[C@]1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCCN1Cc1ccccc1 ZINC000469180690 986905620 /nfs/dbraw/zinc/90/56/20/986905620.db2.gz QJWOBJNQHMMJOR-XMMPIXPASA-N 0 3 400.482 3.998 20 30 HHEDHN COC(=O)[C@@](C)(CN[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccccc1 ZINC000469216260 986938981 /nfs/dbraw/zinc/93/89/81/986938981.db2.gz HFFVQIIXKNKUPS-NLFFAJNJSA-N 0 3 421.541 3.659 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000444806736 986962649 /nfs/dbraw/zinc/96/26/49/986962649.db2.gz WZOUWWAEXWRFGO-IAGOWNOFSA-N 0 3 409.452 3.776 20 30 HHEDHN CC1CCN([C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000470758398 988800164 /nfs/dbraw/zinc/80/01/64/988800164.db2.gz YYDVTLCVOTVCRB-LEWJYISDSA-N 0 3 406.555 3.891 20 30 HHEDHN CC1CCN([C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000470758400 988800188 /nfs/dbraw/zinc/80/01/88/988800188.db2.gz YYDVTLCVOTVCRB-RTWAWAEBSA-N 0 3 406.555 3.891 20 30 HHEDHN CCN(CC(=O)N(CCC#N)c1ccccc1)CC1CCN(c2ccccn2)CC1 ZINC000464813621 989048999 /nfs/dbraw/zinc/04/89/99/989048999.db2.gz YMHPTWUZUHNFRG-UHFFFAOYSA-N 0 3 405.546 3.567 20 30 HHEDHN C=CCc1ccc(OCC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c(OC)c1 ZINC000464892629 989161706 /nfs/dbraw/zinc/16/17/06/989161706.db2.gz HZXNWNDKCOQPMN-HXUWFJFHSA-N 0 3 408.542 3.926 20 30 HHEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000465664587 990050482 /nfs/dbraw/zinc/05/04/82/990050482.db2.gz OSPHYXMZVZZQCU-LEWJYISDSA-N 0 3 412.603 3.829 20 30 HHEDHN CN1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H]1c1ccccc1 ZINC000471957433 990122263 /nfs/dbraw/zinc/12/22/63/990122263.db2.gz VFLMFPKFEZXESX-WIYYLYMNSA-N 0 3 420.904 3.964 20 30 HHEDHN CO[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000466088490 991266968 /nfs/dbraw/zinc/26/69/68/991266968.db2.gz GJGVNFZZRLRMGW-OAQYLSRUSA-N 0 3 414.937 3.673 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000466531316 991830630 /nfs/dbraw/zinc/83/06/30/991830630.db2.gz TVINHQIFKSZBEZ-NQIIRXRSSA-N 0 3 408.502 3.955 20 30 HHEDHN N#Cc1cccc(CCNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000466608045 991925023 /nfs/dbraw/zinc/92/50/23/991925023.db2.gz HAMVEGUUUFOGEY-NRFANRHFSA-N 0 3 401.432 3.672 20 30 HHEDHN Cc1ccc(-n2cc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cn2)c(C)c1 ZINC000466950736 992260693 /nfs/dbraw/zinc/26/06/93/992260693.db2.gz KFHUWFAFXFMWMH-UHFFFAOYSA-N 0 3 416.529 3.957 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CC1 ZINC000467542370 992821727 /nfs/dbraw/zinc/82/17/27/992821727.db2.gz YGNAXWQCTSHQPS-UHFFFAOYSA-N 0 3 410.301 3.941 20 30 HHEDHN N#Cc1cc(Cl)ccc1CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000480775340 993641024 /nfs/dbraw/zinc/64/10/24/993641024.db2.gz BTLWVUJRXYSFEN-LJQANCHMSA-N 0 3 409.965 3.641 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)ccc2-n2cccn2)CC1 ZINC000472735407 993664056 /nfs/dbraw/zinc/66/40/56/993664056.db2.gz YXTLNKZXGQUZFS-UHFFFAOYSA-N 0 3 418.339 3.797 20 30 HHEDHN CCN1CCN(c2cccc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)c2)CC1 ZINC000472758376 993697198 /nfs/dbraw/zinc/69/71/98/993697198.db2.gz XTIWBGQXALJNNT-UHFFFAOYSA-N 0 3 421.570 3.947 20 30 HHEDHN COc1cc(CN2CCC([C@H](C)NC(C)=O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000481579205 994418578 /nfs/dbraw/zinc/41/85/78/994418578.db2.gz OVIZRNNCTAQTPO-SFHVURJKSA-N 0 3 421.541 3.882 20 30 HHEDHN COc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)ccc1OCC(=O)N(C)C ZINC000481668782 994529757 /nfs/dbraw/zinc/52/97/57/994529757.db2.gz USONNVWMPJAIOJ-OAQYLSRUSA-N 0 3 407.514 3.591 20 30 HHEDHN C=CCN1CCC(NC(=O)NC(c2cccc(OC)c2)c2cccc(OC)c2)CC1 ZINC000481679454 994539742 /nfs/dbraw/zinc/53/97/42/994539742.db2.gz ZRWUIWHDCWDGDX-UHFFFAOYSA-N 0 3 409.530 3.743 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000473654840 994541370 /nfs/dbraw/zinc/54/13/70/994541370.db2.gz URBVXUIHDIZGSM-LJQANCHMSA-N 0 3 421.545 3.807 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)NCCN2CCCC[C@@H]2CC)nnc1-c1ccco1 ZINC000482197605 995175530 /nfs/dbraw/zinc/17/55/30/995175530.db2.gz ITCSKVLETIVBNA-KRWDZBQOSA-N 0 3 417.579 3.587 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000474335432 995315607 /nfs/dbraw/zinc/31/56/07/995315607.db2.gz ZCXGOVQMDUPQAB-QGZVFWFLSA-N 0 3 419.875 3.732 20 30 HHEDHN CCN1CCN(Cc2ccccc2CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000474868288 995764170 /nfs/dbraw/zinc/76/41/70/995764170.db2.gz KBDDLTWBPKFFEW-JOCHJYFZSA-N 0 3 404.558 3.528 20 30 HHEDHN CC(C)(C#N)c1ccc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000474962121 995829524 /nfs/dbraw/zinc/82/95/24/995829524.db2.gz BGLBIJXJPWOGRJ-UHFFFAOYSA-N 0 3 418.585 3.816 20 30 HHEDHN N#CC(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1cnc2ccccc2n1 ZINC000483248163 996059459 /nfs/dbraw/zinc/05/94/59/996059459.db2.gz ZSQTYBSKXDUYCS-IBGZPJMESA-N 0 3 404.433 3.913 20 30 HHEDHN COc1cc(C#N)ccc1OCCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483275446 996075453 /nfs/dbraw/zinc/07/54/53/996075453.db2.gz ZDUSQGXPSHMOMY-MRXNPFEDSA-N 0 3 414.811 3.941 20 30 HHEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(OCC(C)C)c1 ZINC000475343165 996079758 /nfs/dbraw/zinc/07/97/58/996079758.db2.gz QDOHNDVGRIDJTF-UHFFFAOYSA-N 0 3 409.530 3.806 20 30 HHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000483432409 996175638 /nfs/dbraw/zinc/17/56/38/996175638.db2.gz IFKKQULGGCISBS-LLVKDONJSA-N 0 3 411.252 3.951 20 30 HHEDHN CN(C)c1cc(C#N)cc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000483797616 996394750 /nfs/dbraw/zinc/39/47/50/996394750.db2.gz HTJCDSBBDPRNES-OAQYLSRUSA-N 0 3 414.513 3.520 20 30 HHEDHN C=CCN(CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)CC1CCCCC1 ZINC000484665673 997003829 /nfs/dbraw/zinc/00/38/29/997003829.db2.gz VVVKXYRDABFQBP-HXUWFJFHSA-N 0 3 403.611 3.552 20 30 HHEDHN Cn1cc(CN[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478272382 998856483 /nfs/dbraw/zinc/85/64/83/998856483.db2.gz HIZREWTXJYGRMK-KRWDZBQOSA-N 0 3 423.879 3.646 20 30 HHEDHN CN1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](c2ccccc2)C1 ZINC000478369220 998921093 /nfs/dbraw/zinc/92/10/93/998921093.db2.gz JEYNXKPKDAUWOB-DQEYMECFSA-N 0 3 411.505 3.965 20 30 HHEDHN CC(C)([C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000487078627 999056555 /nfs/dbraw/zinc/05/65/55/999056555.db2.gz ZIFYTJRDLDROII-QFIPXVFZSA-N 0 3 412.484 3.980 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)O1 ZINC000478865374 999183087 /nfs/dbraw/zinc/18/30/87/999183087.db2.gz BVCSHDXFJWXONF-KDURUIRLSA-N 0 3 407.514 3.970 20 30 HHEDHN Cc1ccc(CN(CCN(C)C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)o1 ZINC000479172169 999308840 /nfs/dbraw/zinc/30/88/40/999308840.db2.gz YQZYMTMDLUMQOK-UHFFFAOYSA-N 0 3 424.545 3.923 20 30 HHEDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488476584 999499966 /nfs/dbraw/zinc/49/99/66/999499966.db2.gz GYHLTYUMGQAJAA-RTBURBONSA-N 0 3 424.526 3.728 20 30 HHEDHN N#Cc1ccc(CN2CC[C@@H](N[C@H]3CCc4cc(Br)ccc43)C2=O)cc1 ZINC000488477806 999500906 /nfs/dbraw/zinc/50/09/06/999500906.db2.gz KDYAYUMZXAQRQY-VQTJNVASSA-N 0 3 410.315 3.699 20 30 HHEDHN Cn1cc(CNCc2ccc(C(=O)N3CCCCC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479910052 999645318 /nfs/dbraw/zinc/64/53/18/999645318.db2.gz CHYQOKRUVGJZKK-UHFFFAOYSA-N 0 3 413.525 3.875 20 30 HHEDHN Cn1cc(CNCc2ccc(NC(=O)c3cccnc3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479973691 999669834 /nfs/dbraw/zinc/66/98/34/999669834.db2.gz ZVCNPAKABJYWJN-UHFFFAOYSA-N 0 3 422.492 3.896 20 30 HHEDHN CCN1CCN(Cc2ccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)CC1 ZINC000479992497 999677789 /nfs/dbraw/zinc/67/77/89/999677789.db2.gz VJKYNEVXCMOFNE-UHFFFAOYSA-N 0 3 414.557 3.708 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc(OC)c1OC ZINC000489274554 999734859 /nfs/dbraw/zinc/73/48/59/999734859.db2.gz DJOJVSRCCMLNIW-FQEVSTJZSA-N 0 3 415.509 3.674 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc(OC)c1OC ZINC000489296433 999739657 /nfs/dbraw/zinc/73/96/57/999739657.db2.gz ZKZKEDCNRQSORC-VGSWGCGISA-N 0 3 411.546 3.923 20 30 HHEDHN CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000489296126 999739684 /nfs/dbraw/zinc/73/96/84/999739684.db2.gz TULBPOLHNZQNHB-QGZVFWFLSA-N 0 3 409.534 3.729 20 30 HHEDHN CCN(CC)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000480455541 999802942 /nfs/dbraw/zinc/80/29/42/999802942.db2.gz MBPBMALYBKUSPS-QFIPXVFZSA-N 0 3 409.530 3.924 20 30 HHEDHN C[C@@H]1CN(c2ccc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)cn2)C[C@@H](C)O1 ZINC000505328865 1000705099 /nfs/dbraw/zinc/70/50/99/1000705099.db2.gz KGIMVQAOBVSGOH-XJKCOSOUSA-N 0 3 404.392 3.599 20 30 HHEDHN CC[C@H](C)CN(CC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494884665 1000711535 /nfs/dbraw/zinc/71/15/35/1000711535.db2.gz BOTBAWYGPJHXCC-ROUUACIJSA-N 0 3 400.567 3.724 20 30 HHEDHN N#Cc1ccc(CNC(=O)CNC2(c3ccc(Br)cc3)CCCC2)cc1 ZINC000505449597 1000780881 /nfs/dbraw/zinc/78/08/81/1000780881.db2.gz RCKRSDYMRYGCGE-UHFFFAOYSA-N 0 3 412.331 3.996 20 30 HHEDHN N#C[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccccc1F ZINC000505934471 1001111431 /nfs/dbraw/zinc/11/14/31/1001111431.db2.gz ZXXJKDFSMZPSEZ-AZUAARDMSA-N 0 3 405.395 3.961 20 30 HHEDHN CCN(Cc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)=O ZINC000506197041 1001272246 /nfs/dbraw/zinc/27/22/46/1001272246.db2.gz SAYOKBVLNPKCIC-UHFFFAOYSA-N 0 3 421.545 3.522 20 30 HHEDHN CN1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](c2ccccc2)C1 ZINC000497418949 1001352558 /nfs/dbraw/zinc/35/25/58/1001352558.db2.gz SKINSXWCSIATSY-JWQCQUIFSA-N 0 3 411.505 3.965 20 30 HHEDHN CC(C)(CCC#N)CN1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000506788044 1001530549 /nfs/dbraw/zinc/53/05/49/1001530549.db2.gz LFHXURCJSLUVAA-UHFFFAOYSA-N 0 3 413.591 3.723 20 30 HHEDHN COc1ccc(-c2nc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cs2)cc1 ZINC000498374869 1001805193 /nfs/dbraw/zinc/80/51/93/1001805193.db2.gz ODIWJQNEOIAOFA-UHFFFAOYSA-N 0 3 420.538 3.894 20 30 HHEDHN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000498381220 1001810984 /nfs/dbraw/zinc/81/09/84/1001810984.db2.gz YBMKRFJFCRNZIR-SFHVURJKSA-N 0 3 418.545 3.786 20 30 HHEDHN CCC(CC)[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000498388465 1001818147 /nfs/dbraw/zinc/81/81/47/1001818147.db2.gz DWMONQJFBXTRMI-VXKWHMMOSA-N 0 3 400.567 3.615 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000507185383 1001874809 /nfs/dbraw/zinc/87/48/09/1001874809.db2.gz XGMWOTYKRGUCTN-UHFFFAOYSA-N 0 3 406.368 3.989 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000499041994 1002421110 /nfs/dbraw/zinc/42/11/10/1002421110.db2.gz ATWJLAUGEDOATQ-UHFFFAOYSA-N 0 3 412.440 3.845 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(OC(F)F)cc1 ZINC000499052129 1002433599 /nfs/dbraw/zinc/43/35/99/1002433599.db2.gz HREUKPCYAYCYPR-UHFFFAOYSA-N 0 3 401.457 3.683 20 30 HHEDHN C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000508508117 1002990185 /nfs/dbraw/zinc/99/01/85/1002990185.db2.gz VOIBMYPTXCYAEU-OAHLLOKOSA-N 0 3 422.360 3.596 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)CC1 ZINC000499754221 1003096443 /nfs/dbraw/zinc/09/64/43/1003096443.db2.gz DTSLYSAIERQKBA-HNNXBMFYSA-N 0 3 406.368 3.946 20 30 HHEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000500416058 1003702986 /nfs/dbraw/zinc/70/29/86/1003702986.db2.gz MQOKDCJMBMIAMM-MRXNPFEDSA-N 0 3 416.472 3.994 20 30 HHEDHN CCN1CCC[C@@H](CN(C)c2ccc(Br)cc2C#N)[C@@H]1c1cnn(C)c1 ZINC000509614720 1003982035 /nfs/dbraw/zinc/98/20/35/1003982035.db2.gz CEBFSAMUMAZNMN-MGPUTAFESA-N 0 3 416.367 3.964 20 30 HHEDHN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000512609824 1004423599 /nfs/dbraw/zinc/42/35/99/1004423599.db2.gz RBQGBNOPYMNCDJ-LJQANCHMSA-N 0 3 407.562 3.836 20 30 HHEDHN COc1ccc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1OCCCC#N ZINC000512610117 1004423713 /nfs/dbraw/zinc/42/37/13/1004423713.db2.gz WEQOZVGKEGWTFH-SFHVURJKSA-N 0 3 401.551 3.750 20 30 HHEDHN CCN(CC)[C@@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccsc1 ZINC000510260025 1004431391 /nfs/dbraw/zinc/43/13/91/1004431391.db2.gz SZNFNTZRSHTBDP-NRFANRHFSA-N 0 3 411.575 3.534 20 30 HHEDHN N#Cc1ccc(NC(=O)CCN2CCCN(c3ccccc3F)CC2)cc1Cl ZINC000513361423 1004926208 /nfs/dbraw/zinc/92/62/08/1004926208.db2.gz KKXZSFJWEKCTLI-UHFFFAOYSA-N 0 3 400.885 3.892 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCN(c3ccccc3F)CC1)CCC2 ZINC000513406425 1004948772 /nfs/dbraw/zinc/94/87/72/1004948772.db2.gz RMTHMTGVVVBUDH-UHFFFAOYSA-N 0 3 412.534 3.788 20 30 HHEDHN CC(C)(COc1ncccc1C(F)(F)F)NCC(=O)N(CCC#N)c1ccccc1 ZINC000502330100 1005015636 /nfs/dbraw/zinc/01/56/36/1005015636.db2.gz CCXJWFANWLDRTC-UHFFFAOYSA-N 0 3 420.435 3.794 20 30 HHEDHN N#Cc1ccc(OCCN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000502334142 1005018003 /nfs/dbraw/zinc/01/80/03/1005018003.db2.gz SDKBPONLXFGDID-LJQANCHMSA-N 0 3 407.518 3.668 20 30 HHEDHN N#Cc1cccc(OCCN2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000502364053 1005036691 /nfs/dbraw/zinc/03/66/91/1005036691.db2.gz XXWUEVTXKNQQPT-FQEVSTJZSA-N 0 3 415.497 3.792 20 30 HHEDHN C=CCN(Cc1cccs1)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000502381456 1005047758 /nfs/dbraw/zinc/04/77/58/1005047758.db2.gz ZWFIKMDNUIYKDY-QFIPXVFZSA-N 0 3 412.603 3.825 20 30 HHEDHN N#Cc1ccc(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000502395775 1005055127 /nfs/dbraw/zinc/05/51/27/1005055127.db2.gz WSPROCWZTRABSS-UHFFFAOYSA-N 0 3 411.937 3.541 20 30 HHEDHN N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CC2)c1 ZINC000511235602 1005085323 /nfs/dbraw/zinc/08/53/23/1005085323.db2.gz OFXBUWFFENZNAT-QFIPXVFZSA-N 0 3 418.541 3.776 20 30 HHEDHN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000513696197 1005085611 /nfs/dbraw/zinc/08/56/11/1005085611.db2.gz ULFYPTQTZJBLGS-CRAIPNDOSA-N 0 3 422.510 3.616 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511240724 1005087110 /nfs/dbraw/zinc/08/71/10/1005087110.db2.gz IITKPNWNLCZUHG-SIKLNZKXSA-N 0 3 418.541 3.947 20 30 HHEDHN COc1ccc2cccc(CC(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2c1 ZINC000513780477 1005123536 /nfs/dbraw/zinc/12/35/36/1005123536.db2.gz XUSVCBXAXHHUJK-UHFFFAOYSA-N 0 3 401.510 3.853 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000511338603 1005130065 /nfs/dbraw/zinc/13/00/65/1005130065.db2.gz SDVIQEWOTJIQOB-QFIPXVFZSA-N 0 3 422.529 3.570 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000511373317 1005145105 /nfs/dbraw/zinc/14/51/05/1005145105.db2.gz XHDMBYUAEVYKGD-UPVQGACJSA-N 0 3 420.557 3.799 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)nn1-c1cccc(C#N)c1 ZINC000503055872 1005330366 /nfs/dbraw/zinc/33/03/66/1005330366.db2.gz CWLYBBVKFYTHBP-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cnn(-c2ccccc2)c1 ZINC000514486570 1006001169 /nfs/dbraw/zinc/00/11/69/1006001169.db2.gz NTABGPOPSBFBOG-UHFFFAOYSA-N 0 3 408.575 3.971 20 30 HHEDHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000514546039 1006030597 /nfs/dbraw/zinc/03/05/97/1006030597.db2.gz KALPCNYQFLQZKT-OAQYLSRUSA-N 0 3 406.530 3.626 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C)C2CCC(CO)CC2)c1C#N ZINC000534106241 1006081081 /nfs/dbraw/zinc/08/10/81/1006081081.db2.gz HWEGWPNZIYVHQS-UHFFFAOYSA-N 0 3 412.509 3.526 20 30 HHEDHN Cc1noc(-c2ccc(C)c(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)n1 ZINC000515468826 1006482910 /nfs/dbraw/zinc/48/29/10/1006482910.db2.gz RUJUADAKQQWSDD-UHFFFAOYSA-N 0 3 418.501 3.821 20 30 HHEDHN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538390799 1006660304 /nfs/dbraw/zinc/66/03/04/1006660304.db2.gz ZEGOGIXXVNGRAR-MWTRTKDXSA-N 0 3 423.488 3.973 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000538452346 1006721557 /nfs/dbraw/zinc/72/15/57/1006721557.db2.gz NHRZCDKOVWLLQA-UHFFFAOYSA-N 0 3 400.350 3.850 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CNC2(c3ccccc3)CCOCC2)cc1 ZINC000532710173 1007123184 /nfs/dbraw/zinc/12/31/84/1007123184.db2.gz LPMOXASHIWEGJN-UHFFFAOYSA-N 0 3 407.514 3.627 20 30 HHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000517243559 1007513815 /nfs/dbraw/zinc/51/38/15/1007513815.db2.gz UKKSEFVPMPAYCS-MGPUTAFESA-N 0 3 411.468 3.771 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)CC1 ZINC000517304340 1007552690 /nfs/dbraw/zinc/55/26/90/1007552690.db2.gz JARCRDAJBJSHST-UHFFFAOYSA-N 0 3 403.530 3.889 20 30 HHEDHN C[C@H](N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)(C)C ZINC000533250279 1007568682 /nfs/dbraw/zinc/56/86/82/1007568682.db2.gz QESAGRUOFXPFIC-DLBZAZTESA-N 0 3 400.567 3.722 20 30 HHEDHN CC[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccc2c(c1)OCCO2 ZINC000539278600 1007573144 /nfs/dbraw/zinc/57/31/44/1007573144.db2.gz DJZIZUZSHJODJP-MJGOQNOKSA-N 0 3 423.513 3.842 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C(C)C)C2CCOCC2)c1C#N ZINC000533533305 1007856015 /nfs/dbraw/zinc/85/60/15/1007856015.db2.gz CMVMULKDYDYUGU-UHFFFAOYSA-N 0 3 408.546 3.853 20 30 HHEDHN C[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)N(C)Cc1ccccc1 ZINC000517657320 1007869308 /nfs/dbraw/zinc/86/93/08/1007869308.db2.gz PSUKDCRNWGPBED-GOSISDBHSA-N 0 3 403.482 3.981 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2C)N(CC)CC)cc1 ZINC000517765100 1007951855 /nfs/dbraw/zinc/95/18/55/1007951855.db2.gz WAYHSULTODVWAU-JOCHJYFZSA-N 0 3 406.530 3.567 20 30 HHEDHN CN1CC[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000533948014 1008225167 /nfs/dbraw/zinc/22/51/67/1008225167.db2.gz LWVOTVYAVXQUDX-PMACEKPBSA-N 0 3 401.432 3.802 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000518288242 1008241099 /nfs/dbraw/zinc/24/10/99/1008241099.db2.gz BUXVQROQTBGNKB-UHFFFAOYSA-N 0 3 422.529 3.949 20 30 HHEDHN Cn1cc(C#N)cc1C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000540024903 1008242998 /nfs/dbraw/zinc/24/29/98/1008242998.db2.gz XCTJLAWLKMZIAK-UHFFFAOYSA-N 0 3 413.525 3.514 20 30 HHEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000518751265 1008414042 /nfs/dbraw/zinc/41/40/42/1008414042.db2.gz MIXHVWXYFLCBQR-ZWKOTPCHSA-N 0 3 420.513 3.526 20 30 HHEDHN C=CCC[C@H](NCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccccc1 ZINC000540458479 1008440029 /nfs/dbraw/zinc/44/00/29/1008440029.db2.gz OCTQBDFETJDEBG-FQEVSTJZSA-N 0 3 420.492 3.914 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N1CCC[C@H](C)C1 ZINC000519088808 1008527644 /nfs/dbraw/zinc/52/76/44/1008527644.db2.gz ROFXROYBGGXYHF-ZWKOTPCHSA-N 0 3 420.513 3.526 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)N[C@@H](CN3CCCC3)c3ccccc3)n2)c(F)c1 ZINC000542962060 1008534310 /nfs/dbraw/zinc/53/43/10/1008534310.db2.gz QAORSBAEVDZOJB-FQEVSTJZSA-N 0 3 418.476 3.842 20 30 HHEDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542965355 1008538789 /nfs/dbraw/zinc/53/87/89/1008538789.db2.gz URRAWTHCYOJFLO-UHFFFAOYSA-N 0 3 412.881 3.586 20 30 HHEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000549235880 1008805903 /nfs/dbraw/zinc/80/59/03/1008805903.db2.gz PYMZAEMLLCHOIR-VJBWXMMDSA-N 0 3 417.509 3.825 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)n1Cc1ccncc1 ZINC000545876391 1008965149 /nfs/dbraw/zinc/96/51/49/1008965149.db2.gz KGWAUYOWHHKVBC-UHFFFAOYSA-N 0 3 415.541 3.624 20 30 HHEDHN C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000519783688 1009004010 /nfs/dbraw/zinc/00/40/10/1009004010.db2.gz AOUHSSFVPODRCG-MAUKXSAKSA-N 0 3 401.942 3.930 20 30 HHEDHN COc1cccc([C@@H]2[C@@H](NCC(=O)N(CCC#N)c3ccccc3)CCN2C2CC2)c1 ZINC000549468177 1009062099 /nfs/dbraw/zinc/06/20/99/1009062099.db2.gz IMRZAXQBJRTNGM-UKILVPOCSA-N 0 3 418.541 3.509 20 30 HHEDHN CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000543495842 1009085022 /nfs/dbraw/zinc/08/50/22/1009085022.db2.gz DJYCCHICERJELD-SFTDATJTSA-N 0 3 412.509 3.650 20 30 HHEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000520004711 1009159049 /nfs/dbraw/zinc/15/90/49/1009159049.db2.gz YJUYWLUVTUSWGE-ROUUACIJSA-N 0 3 420.513 3.526 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)n1 ZINC000543764687 1009335613 /nfs/dbraw/zinc/33/56/13/1009335613.db2.gz DNLLDOGIYFXSEW-UHFFFAOYSA-N 0 3 410.497 3.613 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000544176172 1009780416 /nfs/dbraw/zinc/78/04/16/1009780416.db2.gz RYIGUPCUXCKGSP-VWNXMTODSA-N 0 3 406.530 3.511 20 30 HHEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000520722965 1009791035 /nfs/dbraw/zinc/79/10/35/1009791035.db2.gz WGXZXKUHOGHHKT-LJQANCHMSA-N 0 3 411.477 3.672 20 30 HHEDHN CS[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@H]1N(C)C ZINC000546843699 1009801853 /nfs/dbraw/zinc/80/18/53/1009801853.db2.gz BCGITNWHQXTESE-YADHBBJMSA-N 0 3 424.570 3.955 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1)[C@H]1CCCN(C)C1 ZINC000544399096 1010019385 /nfs/dbraw/zinc/01/93/85/1010019385.db2.gz HTLBBORGLPWSEE-IBGZPJMESA-N 0 3 410.905 3.630 20 30 HHEDHN C[C@@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H](c1ccccc1)N(C)C ZINC000550766606 1010164658 /nfs/dbraw/zinc/16/46/58/1010164658.db2.gz WXQXEVRMOXTONP-RDTXWAMCSA-N 0 3 412.559 3.663 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000521508327 1010422523 /nfs/dbraw/zinc/42/25/23/1010422523.db2.gz LDQVWGDZYKUQQX-PKTZIBPZSA-N 0 3 424.520 3.691 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000521508324 1010422767 /nfs/dbraw/zinc/42/27/67/1010422767.db2.gz LDQVWGDZYKUQQX-DHIUTWEWSA-N 0 3 424.520 3.691 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000521595802 1010492103 /nfs/dbraw/zinc/49/21/03/1010492103.db2.gz MWULIVCYAPHJLK-SFHVURJKSA-N 0 3 424.545 3.680 20 30 HHEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000521687349 1010551722 /nfs/dbraw/zinc/55/17/22/1010551722.db2.gz ODQVYJMOFXUVAZ-UHFFFAOYSA-N 0 3 421.438 3.969 20 30 HHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000551420131 1010575647 /nfs/dbraw/zinc/57/56/47/1010575647.db2.gz VIYVZEXAJSQHAA-UXHICEINSA-N 0 3 411.468 3.817 20 30 HHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000551420132 1010575764 /nfs/dbraw/zinc/57/57/64/1010575764.db2.gz VIYVZEXAJSQHAA-VQTJNVASSA-N 0 3 411.468 3.817 20 30 HHEDHN COCCN1CCC[C@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000522633307 1011125420 /nfs/dbraw/zinc/12/54/20/1011125420.db2.gz KXKIYKBAXHLPGZ-IBGZPJMESA-N 0 3 413.905 3.845 20 30 HHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540864676 1011540292 /nfs/dbraw/zinc/54/02/92/1011540292.db2.gz OBSKRTQUDZXQNT-KRWDZBQOSA-N 0 3 412.563 3.994 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1-c1ccc(Cl)cc1 ZINC000540875803 1011554031 /nfs/dbraw/zinc/55/40/31/1011554031.db2.gz MZJDNBGEEUIZTK-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN CC(C)N(CCN(C)C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000541044045 1011682968 /nfs/dbraw/zinc/68/29/68/1011682968.db2.gz URRGVKKOTJRJJV-UHFFFAOYSA-N 0 3 404.565 3.506 20 30 HHEDHN C[S@@](=O)C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000537160453 1012560058 /nfs/dbraw/zinc/56/00/58/1012560058.db2.gz RLTSUUOEZBPTLE-XDBZFTIUSA-N 0 3 415.584 3.537 20 30 HHEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537249648 1012696599 /nfs/dbraw/zinc/69/65/99/1012696599.db2.gz OAVZOOSVKVAQFE-NHCUHLMSSA-N 0 3 410.587 3.930 20 30 HHEDHN COC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000524030294 1012779484 /nfs/dbraw/zinc/77/94/84/1012779484.db2.gz UYUVTYBTBFAJTE-UHFFFAOYSA-N 0 3 414.893 3.594 20 30 HHEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000537390725 1012870264 /nfs/dbraw/zinc/87/02/64/1012870264.db2.gz UYMAYCRBJISDOM-LAUBAEHRSA-N 0 3 421.944 3.544 20 30 HHEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000537390729 1012870881 /nfs/dbraw/zinc/87/08/81/1012870881.db2.gz UYMAYCRBJISDOM-UWJYYQICSA-N 0 3 421.944 3.544 20 30 HHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC(C)(C)[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000570889476 1072403015 /nfs/dbraw/zinc/40/30/15/1072403015.db2.gz XWHBWKWKEJNRQT-ZTQAJYAQSA-N 0 3 401.576 3.963 20 30 HHEDHN CCN(CCC#N)C(=O)CN[C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555130736 1073180955 /nfs/dbraw/zinc/18/09/55/1073180955.db2.gz VEDKGSQHCLFCIO-AZUAARDMSA-N 0 3 408.949 3.745 20 30 HHEDHN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000555255318 1073303914 /nfs/dbraw/zinc/30/39/14/1073303914.db2.gz CYTHVRKJFBXJOO-MJGOQNOKSA-N 0 3 401.530 3.910 20 30 HHEDHN N#Cc1cccc(-c2nnc(N3CCN(C4CCCC4)CC3)n2Cc2cccs2)c1 ZINC000555440693 1073480126 /nfs/dbraw/zinc/48/01/26/1073480126.db2.gz SMFZNYXHKRLPFR-UHFFFAOYSA-N 0 3 418.570 3.991 20 30 HHEDHN N#Cc1c(F)ccc(CNc2ccc(C(=O)NCCN3CCCC3)cc2)c1Cl ZINC000555508211 1073575137 /nfs/dbraw/zinc/57/51/37/1073575137.db2.gz SZMODPRBSKMRNZ-UHFFFAOYSA-N 0 3 400.885 3.788 20 30 HHEDHN C=CCN1CCC(NC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)CC)CC1 ZINC000592069255 1074687225 /nfs/dbraw/zinc/68/72/25/1074687225.db2.gz UCKJDVVROFDPHS-QGZVFWFLSA-N 0 3 413.591 3.775 20 30 HHEDHN C=CCN1CCC(NC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000592490212 1074769376 /nfs/dbraw/zinc/76/93/76/1074769376.db2.gz FJUCXIULGNOBPC-JOCHJYFZSA-N 0 3 424.614 3.797 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CC1 ZINC000592524167 1074771538 /nfs/dbraw/zinc/77/15/38/1074771538.db2.gz QEENKNGNWYZDNQ-GOSISDBHSA-N 0 3 416.324 3.866 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC1 ZINC000593827665 1075228719 /nfs/dbraw/zinc/22/87/19/1075228719.db2.gz MHCDEDHGLQSCPT-UHFFFAOYSA-N 0 3 409.868 3.629 20 30 HHEDHN N#Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164880941 721177597 /nfs/dbraw/zinc/17/75/97/721177597.db2.gz XXYWYASVOJJIOJ-VQTJNVASSA-N 0 3 419.916 3.635 20 30 HHEDHN Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164759426 721251066 /nfs/dbraw/zinc/25/10/66/721251066.db2.gz AEDHSTPTBNUPLZ-QZTJIDSGSA-N 0 3 420.948 3.760 20 30 HHEDHN N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000301875037 971095134 /nfs/dbraw/zinc/09/51/34/971095134.db2.gz MBRIVARLUAXRNX-QZTJIDSGSA-N 0 3 424.451 3.755 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cc(Br)cs1 ZINC000303276628 971593483 /nfs/dbraw/zinc/59/34/83/971593483.db2.gz HPEPFRHHUYOJMP-UHFFFAOYSA-N 0 3 420.376 3.905 20 30 HHEDHN C=CCN1CCC(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CC1 ZINC000303333881 971637754 /nfs/dbraw/zinc/63/77/54/971637754.db2.gz XJTGZSRJPWEUBJ-UHFFFAOYSA-N 0 3 411.506 3.515 20 30 HHEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)CC1 ZINC000303348303 971648252 /nfs/dbraw/zinc/64/82/52/971648252.db2.gz FISZVBIJXHIAQD-XMMPIXPASA-N 0 3 415.537 3.948 20 30 HHEDHN COCCN1CCC(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000303686561 971962118 /nfs/dbraw/zinc/96/21/18/971962118.db2.gz UAUWQFGNHQXPCW-UHFFFAOYSA-N 0 3 413.905 3.845 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2OCCOC)N(C)C)cc1 ZINC000542422786 1013375260 /nfs/dbraw/zinc/37/52/60/1013375260.db2.gz SXEJDYAZEAHBKN-OAQYLSRUSA-N 0 3 410.518 3.570 20 30 HHEDHN Cc1ccc(NC(=O)Nc2cccc3c2CCN(CCC(=O)N(C)CCC#N)C3)cc1 ZINC000537852028 1013420155 /nfs/dbraw/zinc/42/01/55/1013420155.db2.gz UYVPAPFRRYBPRN-UHFFFAOYSA-N 0 3 419.529 3.759 20 30 HHEDHN Cc1sc2nc([C@H](C)N3CCCN(Cc4ccc(C#N)cc4)CC3)[nH]c(=O)c2c1C ZINC000021405058 963460958 /nfs/dbraw/zinc/46/09/58/963460958.db2.gz IQUHUPFXIIKZEB-INIZCTEOSA-N 0 3 421.570 3.742 20 30 HHEDHN N#CC(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(C(F)(F)F)cn1 ZINC000048829776 964071514 /nfs/dbraw/zinc/07/15/14/964071514.db2.gz IHCXACLAMXBAJP-OAHLLOKOSA-N 0 3 401.304 3.684 20 30 HHEDHN COC(=O)c1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000026209562 964485722 /nfs/dbraw/zinc/48/57/22/964485722.db2.gz XCYMCHRXGTUTMI-UHFFFAOYSA-N 0 3 411.527 3.746 20 30 HHEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1-c1ccccc1 ZINC000537934995 1013521729 /nfs/dbraw/zinc/52/17/29/1013521729.db2.gz PDIQVDBLCVNVQR-UHFFFAOYSA-N 0 3 402.502 3.648 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000052485682 964915994 /nfs/dbraw/zinc/91/59/94/964915994.db2.gz OFQUFGKQXZIXQV-OALUTQOASA-N 0 3 419.639 3.764 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000052485680 964916277 /nfs/dbraw/zinc/91/62/77/964916277.db2.gz OFQUFGKQXZIXQV-MOPGFXCFSA-N 0 3 419.639 3.764 20 30 HHEDHN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000057044719 965262850 /nfs/dbraw/zinc/26/28/50/965262850.db2.gz XLYSYYAYRSRKRU-JOCHJYFZSA-N 0 3 405.542 3.967 20 30 HHEDHN N#CC1(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCC1 ZINC000029167067 965293411 /nfs/dbraw/zinc/29/34/11/965293411.db2.gz BIRMCBKYZOYMEQ-UHFFFAOYSA-N 0 3 422.495 3.808 20 30 HHEDHN N#Cc1ccc(CN2CCCN(Cc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1 ZINC000054808503 965654680 /nfs/dbraw/zinc/65/46/80/965654680.db2.gz XEEXYKRJKCWLHW-UHFFFAOYSA-N 0 3 416.569 3.892 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)Nc3cc(C#N)ccc3C)CC2)c1 ZINC000058452741 965738681 /nfs/dbraw/zinc/73/86/81/965738681.db2.gz KCOGJNSPRVQQML-UHFFFAOYSA-N 0 3 405.546 3.899 20 30 HHEDHN C[C@@H]1CN(CCOC2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000538045038 1013618112 /nfs/dbraw/zinc/61/81/12/1013618112.db2.gz JYFKJOGPFASHPO-RTBURBONSA-N 0 3 424.507 3.647 20 30 HHEDHN C=CCOc1ccc(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000032066206 966186361 /nfs/dbraw/zinc/18/63/61/966186361.db2.gz RVUXGNQYFYBNEW-UHFFFAOYSA-N 0 3 407.558 3.892 20 30 HHEDHN N#Cc1ccc(CN2CCC(Nc3ccc(CCN4CCOCC4)cc3)CC2)cc1 ZINC000542831177 1013696642 /nfs/dbraw/zinc/69/66/42/1013696642.db2.gz NSCTVOUWMIJJOP-UHFFFAOYSA-N 0 3 404.558 3.509 20 30 HHEDHN COc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1OCCCC#N ZINC000064614155 967249905 /nfs/dbraw/zinc/24/99/05/967249905.db2.gz BVOWOZNRTKRASM-UHFFFAOYSA-N 0 3 413.493 3.643 20 30 HHEDHN COc1ccc([C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000045317711 967420220 /nfs/dbraw/zinc/42/02/20/967420220.db2.gz XFXKDWGJKLQDEO-HSZRJFAPSA-N 0 3 406.530 3.791 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000538188176 1013746162 /nfs/dbraw/zinc/74/61/62/1013746162.db2.gz MICAQLAUJHHLKD-LJQANCHMSA-N 0 3 417.513 3.868 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)N(C)Cc3ccc(C#N)cc3)CC2)c1 ZINC000046867928 967996958 /nfs/dbraw/zinc/99/69/58/967996958.db2.gz XBVSWFCOKDQKMY-UHFFFAOYSA-N 0 3 419.573 3.611 20 30 HHEDHN Cc1cc(C(=O)C(C#N)c2ccc3ccccc3n2)cc(S(=O)(=O)N(C)C)c1C ZINC000047375444 968163766 /nfs/dbraw/zinc/16/37/66/968163766.db2.gz AJESSYPDGIASME-GOSISDBHSA-N 0 3 407.495 3.592 20 30 HHEDHN C[C@H]1CCCCN1CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000047783208 968311444 /nfs/dbraw/zinc/31/14/44/968311444.db2.gz QRRFMYZLPIESNT-AWEZNQCLSA-N 0 3 416.576 3.698 20 30 HHEDHN C=CCc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc(OC)c1OC ZINC000065930860 968721762 /nfs/dbraw/zinc/72/17/62/968721762.db2.gz RGBCMRZECJXOAS-UHFFFAOYSA-N 0 3 407.514 3.508 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(N(C)c3ccccc3)CC2)c(OC)c1 ZINC000065955999 968736263 /nfs/dbraw/zinc/73/62/63/968736263.db2.gz CYPJCXFLOFABBV-HSZRJFAPSA-N 0 3 410.558 3.764 20 30 HHEDHN C[C@@H](SCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000097404354 969133204 /nfs/dbraw/zinc/13/32/04/969133204.db2.gz DQQLIDHTBFFLMI-QGZVFWFLSA-N 0 3 421.570 3.819 20 30 HHEDHN C=CCc1cc(C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)cc(OC)c1OC ZINC000107592509 969318413 /nfs/dbraw/zinc/31/84/13/969318413.db2.gz KLFFRRASVCISBI-UHFFFAOYSA-N 0 3 423.557 3.822 20 30 HHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1C#N ZINC000109358467 969505897 /nfs/dbraw/zinc/50/58/97/969505897.db2.gz WTKPBLIKASNEET-UHFFFAOYSA-N 0 3 405.420 3.546 20 30 HHEDHN C#CCN1CCC(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)CC1 ZINC000109987274 969605957 /nfs/dbraw/zinc/60/59/57/969605957.db2.gz DYWJSTSEAFSDQD-UHFFFAOYSA-N 0 3 414.303 3.920 20 30 HHEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000138959808 970016940 /nfs/dbraw/zinc/01/69/40/970016940.db2.gz CIJHJKDRDFSMNO-AWEZNQCLSA-N 0 3 405.435 3.542 20 30 HHEDHN CC[C@H](C#N)Oc1cccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000236900473 970187386 /nfs/dbraw/zinc/18/73/86/970187386.db2.gz QKZDWKVJYUVHGD-LJQANCHMSA-N 0 3 404.470 3.819 20 30 HHEDHN C=CCc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)cc(OC)c1OC ZINC000237251391 970248494 /nfs/dbraw/zinc/24/84/94/970248494.db2.gz BJAZFGACEZBMMW-UHFFFAOYSA-N 0 3 400.494 3.698 20 30 HHEDHN COc1ccc(CNc2ccccc2CN2CCC(O)CC2)cc1OCCCC#N ZINC000237379723 970274521 /nfs/dbraw/zinc/27/45/21/970274521.db2.gz DNSGGAPFZRBWRW-UHFFFAOYSA-N 0 3 409.530 3.947 20 30 HHEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237501415 970302685 /nfs/dbraw/zinc/30/26/85/970302685.db2.gz JMSXNZZERCRPBF-GOSISDBHSA-N 0 3 410.537 3.987 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)N(C)C)cc1 ZINC000252002607 970552226 /nfs/dbraw/zinc/55/22/26/970552226.db2.gz NDSIAJAKQZYBNE-NRFANRHFSA-N 0 3 410.587 3.952 20 30 HHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000195613302 970556344 /nfs/dbraw/zinc/55/63/44/970556344.db2.gz HWRWHTFPWBXXMP-UHFFFAOYSA-N 0 3 405.502 3.813 20 30 HHEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255958983 970612501 /nfs/dbraw/zinc/61/25/01/970612501.db2.gz JPPRQLSPKDZEHF-QUCCMNQESA-N 0 3 404.297 3.784 20 30 HHEDHN CN1CCN(Cc2ccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000410359349 973950279 /nfs/dbraw/zinc/95/02/79/973950279.db2.gz LLDOECLSBGLBKP-UHFFFAOYSA-N 0 3 405.546 3.557 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000426158744 974272826 /nfs/dbraw/zinc/27/28/26/974272826.db2.gz DYXNAGRLNRLTNP-IYBDPMFKSA-N 0 3 404.942 3.955 20 30 HHEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426674690 974594515 /nfs/dbraw/zinc/59/45/15/974594515.db2.gz LRKPADLNVGFPLX-ROUUACIJSA-N 0 3 420.513 3.526 20 30 HHEDHN C=CCOc1ccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000427298529 975034554 /nfs/dbraw/zinc/03/45/54/975034554.db2.gz DCKDURKEOQTMGH-RTBURBONSA-N 0 3 416.562 3.612 20 30 HHEDHN N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCCN3C3CCOCC3)c2)c1 ZINC000427902144 975340688 /nfs/dbraw/zinc/34/06/88/975340688.db2.gz MWDQLOAYCLIWEO-QHCPKHFHSA-N 0 3 405.498 3.719 20 30 HHEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)nc1 ZINC000430186262 977377843 /nfs/dbraw/zinc/37/78/43/977377843.db2.gz MMIJXQWJAZXJEY-QHCPKHFHSA-N 0 3 422.492 3.854 20 30 HHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)s1 ZINC000430611882 977655065 /nfs/dbraw/zinc/65/50/65/977655065.db2.gz PXNKUYOOOMMVMC-OAHLLOKOSA-N 0 3 417.556 3.643 20 30 HHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)s1 ZINC000430611879 977655230 /nfs/dbraw/zinc/65/52/30/977655230.db2.gz PXNKUYOOOMMVMC-HNNXBMFYSA-N 0 3 417.556 3.643 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431704487 978447521 /nfs/dbraw/zinc/44/75/21/978447521.db2.gz XXUOHYQIOBETKJ-PTUXOGIPSA-N 0 3 403.526 3.711 20 30 HHEDHN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN[C@H](CCCC#N)c3ccccc3)CC2)C1 ZINC000433016807 979042955 /nfs/dbraw/zinc/04/29/55/979042955.db2.gz UTLXIVKVZYLVCJ-NFBKMPQASA-N 0 3 424.589 3.508 20 30 HHEDHN CN(C)c1cc(CNCc2cn(CCC#N)nc2-c2ccncc2)c2ccccc2n1 ZINC000433322687 979236028 /nfs/dbraw/zinc/23/60/28/979236028.db2.gz YRKRWXHAUHZNLZ-UHFFFAOYSA-N 0 3 411.513 3.763 20 30 HHEDHN CCOC(=O)CC1(NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCCC1 ZINC000434620716 980301985 /nfs/dbraw/zinc/30/19/85/980301985.db2.gz ZDTPUGUHPGLEAJ-UHFFFAOYSA-N 0 3 414.550 3.886 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000434865536 980456025 /nfs/dbraw/zinc/45/60/25/980456025.db2.gz RAYHHBYJMIHNSV-UHFFFAOYSA-N 0 3 406.864 3.763 20 30 HHEDHN Cc1cc(NC(=O)COc2ccc(C#N)cc2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435281404 980757160 /nfs/dbraw/zinc/75/71/60/980757160.db2.gz WKPDECQMEBYPLP-OAQYLSRUSA-N 0 3 415.497 3.528 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000436307798 981290138 /nfs/dbraw/zinc/29/01/38/981290138.db2.gz LMPGOVJCKOBVFE-OHNRDTAOSA-N 0 3 405.340 3.970 20 30 HHEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000448325717 981700899 /nfs/dbraw/zinc/70/08/99/981700899.db2.gz RVHRAICCVUBHQS-NRFANRHFSA-N 0 3 420.513 3.526 20 30 HHEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000448327168 981701510 /nfs/dbraw/zinc/70/15/10/981701510.db2.gz HJEUWFOHIZCMNU-OAQYLSRUSA-N 0 3 420.513 3.526 20 30 HHEDHN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460565850 982350755 /nfs/dbraw/zinc/35/07/55/982350755.db2.gz IVSBZMWIFRJSME-GOSISDBHSA-N 0 3 401.942 3.760 20 30 HHEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000437984723 982505921 /nfs/dbraw/zinc/50/59/21/982505921.db2.gz HYXNCSBMNAQCBU-IEBWSBKVSA-N 0 3 424.383 3.504 20 30 HHEDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000438455464 982807309 /nfs/dbraw/zinc/80/73/09/982807309.db2.gz AURSFFWBUAMKJB-UHFFFAOYSA-N 0 3 409.511 3.996 20 30 HHEDHN CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438655570 982973151 /nfs/dbraw/zinc/97/31/51/982973151.db2.gz MHPQNFYZKHKIIU-OXJNMPFZSA-N 0 3 424.932 3.834 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCC(c3ccccc3Br)CC2)CC1 ZINC000439129972 983264838 /nfs/dbraw/zinc/26/48/38/983264838.db2.gz IXLFXLQLZSKQNS-UHFFFAOYSA-N 0 3 406.368 3.989 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000440252076 983697880 /nfs/dbraw/zinc/69/78/80/983697880.db2.gz DUJKNNCGMQHENM-TXTKFYIRSA-N 0 3 412.578 3.952 20 30 HHEDHN COc1cnccc1N1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440642601 983835352 /nfs/dbraw/zinc/83/53/52/983835352.db2.gz QOEDFDQBZHODRI-UHFFFAOYSA-N 0 3 424.302 3.599 20 30 HHEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000441388981 984225197 /nfs/dbraw/zinc/22/51/97/984225197.db2.gz UEDINCIMLIULFH-XJKSGUPXSA-N 0 3 410.331 3.911 20 30 HHEDHN C=C(C)COc1cc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)ccc1OC ZINC000462759870 985699348 /nfs/dbraw/zinc/69/93/48/985699348.db2.gz YYFUUZXSCDHIFD-YPAWHYETSA-N 0 3 406.526 3.897 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)CC1 ZINC000443586848 985761864 /nfs/dbraw/zinc/76/18/64/985761864.db2.gz YRRULURFWZFKNB-HSZRJFAPSA-N 0 3 420.557 3.576 20 30 HHEDHN Cc1c(Br)ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1F ZINC000468230149 985927809 /nfs/dbraw/zinc/92/78/09/985927809.db2.gz KECJAQGQJUVRHL-UHFFFAOYSA-N 0 3 418.310 3.972 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000463024041 985983282 /nfs/dbraw/zinc/98/32/82/985983282.db2.gz WCEQNFLFEWNABY-YADARESESA-N 0 3 418.541 3.632 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000463263370 986230819 /nfs/dbraw/zinc/23/08/19/986230819.db2.gz VILUMPIUNQZYQP-XZOQPEGZSA-N 0 3 406.530 3.552 20 30 HHEDHN C[C@H](NCCOc1ccccc1C#N)c1ccc(Br)cc1OCCCO ZINC000463361502 986327989 /nfs/dbraw/zinc/32/79/89/986327989.db2.gz MBEIYVRPVVPDFQ-HNNXBMFYSA-N 0 3 419.319 3.812 20 30 HHEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000468715391 986429863 /nfs/dbraw/zinc/42/98/63/986429863.db2.gz QNRDQVXPQFRQGG-UHFFFAOYSA-N 0 3 402.542 3.594 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000463485169 986460334 /nfs/dbraw/zinc/46/03/34/986460334.db2.gz RMKVRTOMMYIONT-UHFFFAOYSA-N 0 3 406.313 3.834 20 30 HHEDHN COc1ccc(C[C@@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)c2ccc(OC)cc2)cc1 ZINC000469151805 986875442 /nfs/dbraw/zinc/87/54/42/986875442.db2.gz WBDVLILIFKSPEK-HTAPYJJXSA-N 0 3 407.514 3.528 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC000469377058 987073133 /nfs/dbraw/zinc/07/31/33/987073133.db2.gz MBLZKQYPWRFNEW-UHFFFAOYSA-N 0 3 401.532 3.598 20 30 HHEDHN N#Cc1cc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)ccc1F ZINC000469714271 987368215 /nfs/dbraw/zinc/36/82/15/987368215.db2.gz WGKZRBJJNUNOPD-UHFFFAOYSA-N 0 3 401.869 3.624 20 30 HHEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000445803907 987864357 /nfs/dbraw/zinc/86/43/57/987864357.db2.gz WBFGPSLMLKGEPF-UHFFFAOYSA-N 0 3 422.273 3.803 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000470343667 988309601 /nfs/dbraw/zinc/30/96/01/988309601.db2.gz HSXYPQFBWFZWIQ-GOSISDBHSA-N 0 3 408.502 3.579 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000470826669 988898384 /nfs/dbraw/zinc/89/83/84/988898384.db2.gz QKWXSZOGQZLBKX-UHFFFAOYSA-N 0 3 417.485 3.648 20 30 HHEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCN(C)CC23CCCCC3)c1C#N ZINC000471036431 989109549 /nfs/dbraw/zinc/10/95/49/989109549.db2.gz AGKWEWKNGBFBSF-UHFFFAOYSA-N 0 3 411.594 3.981 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464901796 989174302 /nfs/dbraw/zinc/17/43/02/989174302.db2.gz PYTZXUFSBRSYOF-HXUWFJFHSA-N 0 3 421.541 3.849 20 30 HHEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000466171587 991363609 /nfs/dbraw/zinc/36/36/09/991363609.db2.gz USOYGRLNOAAWLS-QGZVFWFLSA-N 0 3 414.937 3.752 20 30 HHEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000466436644 991725088 /nfs/dbraw/zinc/72/50/88/991725088.db2.gz OIARFJZFYCIOEQ-MRXNPFEDSA-N 0 3 400.473 3.713 20 30 HHEDHN CCN(CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccccn1 ZINC000466967849 992279312 /nfs/dbraw/zinc/27/93/12/992279312.db2.gz SCJQCCJAQUIREJ-UHFFFAOYSA-N 0 3 405.502 3.864 20 30 HHEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000467029759 992338247 /nfs/dbraw/zinc/33/82/47/992338247.db2.gz WVZOGQFRDYQCAH-QGZVFWFLSA-N 0 3 424.549 3.823 20 30 HHEDHN C[C@@H]1CCc2ccccc2N1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000467529620 992807059 /nfs/dbraw/zinc/80/70/59/992807059.db2.gz BOLDFTCHGPJOPG-HXUWFJFHSA-N 0 3 404.558 3.680 20 30 HHEDHN CC#CCCCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000467788852 993025032 /nfs/dbraw/zinc/02/50/32/993025032.db2.gz RHSBYXHOPFVUBB-UHFFFAOYSA-N 0 3 407.352 3.602 20 30 HHEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Br ZINC000473651202 994536411 /nfs/dbraw/zinc/53/64/11/994536411.db2.gz WJFZRLJSHKSMIK-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000473673281 994563088 /nfs/dbraw/zinc/56/30/88/994563088.db2.gz DUMYXITWTMUIQY-QGZVFWFLSA-N 0 3 403.596 3.618 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)NCCN2[C@H](C)CCC[C@@H]2C)nnc1-c1ccco1 ZINC000481759968 994612116 /nfs/dbraw/zinc/61/21/16/994612116.db2.gz ISTCFNZICBJELG-CALCHBBNSA-N 0 3 417.579 3.585 20 30 HHEDHN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000474206530 995202570 /nfs/dbraw/zinc/20/25/70/995202570.db2.gz PGLCCXIWXGZPKW-HSZRJFAPSA-N 0 3 409.555 3.544 20 30 HHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000474866919 995762763 /nfs/dbraw/zinc/76/27/63/995762763.db2.gz DQBLBBGFMZQNCN-UHFFFAOYSA-N 0 3 414.468 3.889 20 30 HHEDHN COc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)cc(OC)c1Br ZINC000483192774 996029646 /nfs/dbraw/zinc/02/96/46/996029646.db2.gz GKTKLNWHAIKYNJ-GFCCVEGCSA-N 0 3 412.243 3.900 20 30 HHEDHN C=C(C)COc1cc(CN2CCC[C@H](N(C)Cc3noc(C)n3)CC2)ccc1OC ZINC000475619885 996253072 /nfs/dbraw/zinc/25/30/72/996253072.db2.gz DKVJMIKJDGRPFI-FQEVSTJZSA-N 0 3 414.550 3.828 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000483570621 996257684 /nfs/dbraw/zinc/25/76/84/996257684.db2.gz UEUWUXHLDINNTO-UHFFFAOYSA-N 0 3 402.445 3.798 20 30 HHEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476315169 996750588 /nfs/dbraw/zinc/75/05/88/996750588.db2.gz RCIUUZNIPGWOOA-IBGZPJMESA-N 0 3 417.962 3.744 20 30 HHEDHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000477106664 997759244 /nfs/dbraw/zinc/75/92/44/997759244.db2.gz ISXGRFIQCFFONP-LJQANCHMSA-N 0 3 408.502 3.891 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCO3)c(OC)c1 ZINC000477461262 998174032 /nfs/dbraw/zinc/17/40/32/998174032.db2.gz AWNHQUVGNQIPMM-UXHICEINSA-N 0 3 411.498 3.729 20 30 HHEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)CCN1CCCOc1cccc(C#N)c1 ZINC000477634548 998352101 /nfs/dbraw/zinc/35/21/01/998352101.db2.gz JUTNDQBFVKGMNH-OAQYLSRUSA-N 0 3 418.541 3.674 20 30 HHEDHN N#Cc1ccc(CN2CCC(Nc3ccc(Cc4nnc5n4CCC5)cc3)CC2)cc1 ZINC000478170937 998799914 /nfs/dbraw/zinc/79/99/14/998799914.db2.gz NVCANGVGQHCGCM-UHFFFAOYSA-N 0 3 412.541 3.763 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000486998565 999030865 /nfs/dbraw/zinc/03/08/65/999030865.db2.gz QYSAXSYJAHTKOC-INIZCTEOSA-N 0 3 411.377 3.912 20 30 HHEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(Br)cc2Cl)CC1 ZINC000478628439 999053796 /nfs/dbraw/zinc/05/37/96/999053796.db2.gz WVIMQKWSOOCQIZ-UHFFFAOYSA-N 0 3 400.748 3.894 20 30 HHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000488332723 999444427 /nfs/dbraw/zinc/44/44/27/999444427.db2.gz TWFPCYRZUQWAKJ-SJORKVTESA-N 0 3 402.564 3.798 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)CC1 ZINC000488791099 999608792 /nfs/dbraw/zinc/60/87/92/999608792.db2.gz DKAOFFDWWNOPFS-INIZCTEOSA-N 0 3 408.949 3.740 20 30 HHEDHN CC(C)NC(=O)Nc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000479953683 999661656 /nfs/dbraw/zinc/66/16/56/999661656.db2.gz YDFICNNTZMSZKA-UHFFFAOYSA-N 0 3 402.502 3.778 20 30 HHEDHN N#Cc1c(C#N)c2c(nc1NC[C@@]1(O)CCN(Cc3ccccc3)C1)CCCCCC2 ZINC000480022845 999690228 /nfs/dbraw/zinc/69/02/28/999690228.db2.gz VWFQTPVXRTWXAK-VWLOTQADSA-N 0 3 415.541 3.533 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc(OC)c1OC ZINC000489274557 999735067 /nfs/dbraw/zinc/73/50/67/999735067.db2.gz DJOJVSRCCMLNIW-HXUWFJFHSA-N 0 3 415.509 3.674 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc(OC)c1OC ZINC000489296430 999739687 /nfs/dbraw/zinc/73/96/87/999739687.db2.gz ZKZKEDCNRQSORC-HTAPYJJXSA-N 0 3 411.546 3.923 20 30 HHEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000489796174 999839839 /nfs/dbraw/zinc/83/98/39/999839839.db2.gz JDUCAKUGJSDNLA-UHFFFAOYSA-N 0 3 423.557 3.550 20 30 HHEDHN Cc1ccc([C@@H]2C[C@@H](C)N(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)cc1 ZINC000490058056 999886839 /nfs/dbraw/zinc/88/68/39/999886839.db2.gz FKUHJIHVWJFUJX-FCEUIQTBSA-N 0 3 422.598 3.643 20 30 HHEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[C@@H]2C1 ZINC000490402184 999951861 /nfs/dbraw/zinc/95/18/61/999951861.db2.gz PIEUAKUBNNMYRD-AUSIDOKSSA-N 0 3 404.514 3.890 20 30 HHEDHN C=CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000491194544 1000054012 /nfs/dbraw/zinc/05/40/12/1000054012.db2.gz NXJNHFMYMQJPQE-SFHVURJKSA-N 0 3 424.512 3.684 20 30 HHEDHN Cn1cc(CN2CCC(NC(=O)NC3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491227643 1000056838 /nfs/dbraw/zinc/05/68/38/1000056838.db2.gz GQOKKNWEAIUMFT-UHFFFAOYSA-N 0 3 420.561 3.555 20 30 HHEDHN Cn1cc(CN2CCC(NC(=O)C3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491237099 1000057704 /nfs/dbraw/zinc/05/77/04/1000057704.db2.gz AZOJKTOCDWNZIU-UHFFFAOYSA-N 0 3 405.546 3.620 20 30 HHEDHN C[C@@H]1[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CCN1Cc1ccccc1 ZINC000494019530 1000271056 /nfs/dbraw/zinc/27/10/56/1000271056.db2.gz USNXDYYTSRKLLY-AUSIDOKSSA-N 0 3 413.525 3.857 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)CC1 ZINC000504614195 1000293039 /nfs/dbraw/zinc/29/30/39/1000293039.db2.gz NMGOOHWEHBGIQG-UHFFFAOYSA-N 0 3 415.513 3.572 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504896636 1000434463 /nfs/dbraw/zinc/43/44/63/1000434463.db2.gz UOCBDVGYNKBTFY-JOCHJYFZSA-N 0 3 408.571 3.755 20 30 HHEDHN CC[C@H](C)CN(CC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494884666 1000711651 /nfs/dbraw/zinc/71/16/51/1000711651.db2.gz BOTBAWYGPJHXCC-ZWKOTPCHSA-N 0 3 400.567 3.724 20 30 HHEDHN C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000505634010 1000946063 /nfs/dbraw/zinc/94/60/63/1000946063.db2.gz QHNBXCKLDYRTRQ-CYFREDJKSA-N 0 3 406.530 3.521 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000496191565 1001138185 /nfs/dbraw/zinc/13/81/85/1001138185.db2.gz XLFUMOBGYVFISB-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN CCCN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccc(Cl)cc1 ZINC000506230725 1001294728 /nfs/dbraw/zinc/29/47/28/1001294728.db2.gz GJVVKMPMRVNWOG-FQEVSTJZSA-N 0 3 412.921 3.658 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(OC3CCCCC3)CC2)c(OC)c1 ZINC000497376631 1001319881 /nfs/dbraw/zinc/31/98/81/1001319881.db2.gz MDXRTCLWFUDXEW-FQEVSTJZSA-N 0 3 403.563 3.977 20 30 HHEDHN CN1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000497402449 1001340393 /nfs/dbraw/zinc/34/03/93/1001340393.db2.gz CQJPTXFSIVQSHG-DNQXCXABSA-N 0 3 411.505 3.965 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000506492584 1001437975 /nfs/dbraw/zinc/43/79/75/1001437975.db2.gz UYLJDXYMXYRUMQ-INIZCTEOSA-N 0 3 400.498 3.896 20 30 HHEDHN C[C@@H](SCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000497888332 1001551447 /nfs/dbraw/zinc/55/14/47/1001551447.db2.gz CVQUVQYXQVJMNO-QGZVFWFLSA-N 0 3 421.570 3.819 20 30 HHEDHN N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC000507321680 1002000520 /nfs/dbraw/zinc/00/05/20/1002000520.db2.gz YEVDEWXLOFLGML-JOCHJYFZSA-N 0 3 418.541 3.776 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507768443 1002334644 /nfs/dbraw/zinc/33/46/44/1002334644.db2.gz ALCDCLPBDNQDBM-QFIPXVFZSA-N 0 3 412.505 3.645 20 30 HHEDHN C=CCc1cc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000507833273 1002375496 /nfs/dbraw/zinc/37/54/96/1002375496.db2.gz KVNAORVWNZVXPO-RXVVDRJESA-N 0 3 400.906 3.844 20 30 HHEDHN C=CCn1c(CCC2CCCCC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000508477968 1002962466 /nfs/dbraw/zinc/96/24/66/1002962466.db2.gz OGERZFYBFHSNPI-UHFFFAOYSA-N 0 3 401.599 3.526 20 30 HHEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000499604970 1002977820 /nfs/dbraw/zinc/97/78/20/1002977820.db2.gz XNSUCYBWLHGQDP-CQSZACIVSA-N 0 3 409.324 3.971 20 30 HHEDHN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCOCC2)CC1 ZINC000508509289 1002991812 /nfs/dbraw/zinc/99/18/12/1002991812.db2.gz NHLUMPXDYCIJDI-UHFFFAOYSA-N 0 3 422.360 3.739 20 30 HHEDHN C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508842440 1003262902 /nfs/dbraw/zinc/26/29/02/1003262902.db2.gz BLZANNBZAWUSIA-WZONZLPQSA-N 0 3 406.530 3.802 20 30 HHEDHN C=CCn1c(-c2cccc3ccccc32)nnc1N1CCN(C2CCOCC2)CC1 ZINC000508861738 1003282026 /nfs/dbraw/zinc/28/20/26/1003282026.db2.gz DUUDODYNNOXKOD-UHFFFAOYSA-N 0 3 403.530 3.585 20 30 HHEDHN CCN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000499998197 1003315842 /nfs/dbraw/zinc/31/58/42/1003315842.db2.gz GXDMTNZQMOTGIL-JXFKEZNVSA-N 0 3 424.932 3.834 20 30 HHEDHN C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC000508893229 1003322487 /nfs/dbraw/zinc/32/24/87/1003322487.db2.gz FRXDMVKCCZXWFA-SFHVURJKSA-N 0 3 408.550 3.550 20 30 HHEDHN C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000508965445 1003430653 /nfs/dbraw/zinc/43/06/53/1003430653.db2.gz WHRDGPMFVSNBOH-UHFFFAOYSA-N 0 3 409.578 3.730 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000509067025 1003528427 /nfs/dbraw/zinc/52/84/27/1003528427.db2.gz VLSPMBIPXDZGFO-LJQANCHMSA-N 0 3 400.906 3.633 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000509370950 1003799614 /nfs/dbraw/zinc/79/96/14/1003799614.db2.gz HKIDQCMSCXYFDW-XMMPIXPASA-N 0 3 420.557 3.976 20 30 HHEDHN C=CCOc1c(Br)cc(CN[C@@H]2CC(=O)N3CCCC[C@@H]23)cc1OCC ZINC000509420705 1003848571 /nfs/dbraw/zinc/84/85/71/1003848571.db2.gz ZQJGHXGQVDEDOZ-SJORKVTESA-N 0 3 423.351 3.656 20 30 HHEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000500749585 1003935410 /nfs/dbraw/zinc/93/54/10/1003935410.db2.gz LJZQVWIJOONQCM-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000500767162 1003945379 /nfs/dbraw/zinc/94/53/79/1003945379.db2.gz LDAYUZDFQKXATL-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN CC[C@@H](C)N[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000509570988 1003952222 /nfs/dbraw/zinc/95/22/22/1003952222.db2.gz RGFSYNRPSGHCHI-DYESRHJHSA-N 0 3 410.518 3.833 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500834224 1003990802 /nfs/dbraw/zinc/99/08/02/1003990802.db2.gz ABILOEDQUBBSPL-WIYYLYMNSA-N 0 3 407.514 3.678 20 30 HHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CNC2(CO)Cc3ccccc3C2)c1C#N ZINC000512314599 1004210132 /nfs/dbraw/zinc/21/01/32/1004210132.db2.gz OWYYKVGNLQQCIN-UHFFFAOYSA-N 0 3 420.557 3.540 20 30 HHEDHN COc1cc(C#N)ccc1OCCN[C@@H]1CCOc2c(Br)cccc21 ZINC000501520787 1004486291 /nfs/dbraw/zinc/48/62/91/1004486291.db2.gz WZMIILXCESLHOB-MRXNPFEDSA-N 0 3 403.276 3.822 20 30 HHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nccn1-c1ccccc1 ZINC000512777201 1004553915 /nfs/dbraw/zinc/55/39/15/1004553915.db2.gz AWZXRBFINXUZJO-IBGZPJMESA-N 0 3 416.529 3.578 20 30 HHEDHN N#Cc1ccc(OC2CCN(CCC(=O)N3CCCc4ccccc43)CC2)c(F)c1 ZINC000512824222 1004582649 /nfs/dbraw/zinc/58/26/49/1004582649.db2.gz PLJASQNCGVUJMC-UHFFFAOYSA-N 0 3 407.489 3.910 20 30 HHEDHN N#Cc1ccc(CN2CC[C@@H](N[C@@H]3CCc4ccc(Br)cc43)C2=O)cc1 ZINC000511052898 1004998477 /nfs/dbraw/zinc/99/84/77/1004998477.db2.gz ZQUCHNMZLLXQBN-WOJBJXKFSA-N 0 3 410.315 3.699 20 30 HHEDHN N#Cc1cccc(OCCN2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000502364054 1005036737 /nfs/dbraw/zinc/03/67/37/1005036737.db2.gz XXWUEVTXKNQQPT-HXUWFJFHSA-N 0 3 415.497 3.792 20 30 HHEDHN C=CCN(Cc1ccccc1)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000502408553 1005062726 /nfs/dbraw/zinc/06/27/26/1005062726.db2.gz UWHKPUTWKXTRMV-DEOSSOPVSA-N 0 3 406.574 3.763 20 30 HHEDHN Cc1ccc([C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)N(C)C)cc1 ZINC000511292661 1005111356 /nfs/dbraw/zinc/11/13/56/1005111356.db2.gz XTDMKDPQZJFNOT-HSZRJFAPSA-N 0 3 406.530 3.722 20 30 HHEDHN CC(C)[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(F)cc1 ZINC000502564535 1005120783 /nfs/dbraw/zinc/12/07/83/1005120783.db2.gz VRWJDVQALQOOEY-DENIHFKCSA-N 0 3 414.550 3.583 20 30 HHEDHN N#Cc1ccc(N2CCC[C@@H](N[C@]3(Cc4ccc(Cl)cc4)CCOC3)C2=O)cc1 ZINC000502602563 1005135643 /nfs/dbraw/zinc/13/56/43/1005135643.db2.gz SRSNRMBERVGKHU-GGAORHGYSA-N 0 3 409.917 3.698 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)cc1 ZINC000511353832 1005136268 /nfs/dbraw/zinc/13/62/68/1005136268.db2.gz RHJUBIWUROYBEY-HSZRJFAPSA-N 0 3 420.557 3.807 20 30 HHEDHN Cc1cc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000503159596 1005359413 /nfs/dbraw/zinc/35/94/13/1005359413.db2.gz YOAOVXGKDNCBSK-FQEVSTJZSA-N 0 3 413.525 3.789 20 30 HHEDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000503276995 1005382336 /nfs/dbraw/zinc/38/23/36/1005382336.db2.gz VXEWYGIEBSOZEX-FQEVSTJZSA-N 0 3 420.513 3.670 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(N(C)c3ccccc3)CC2)c(OC)c1 ZINC000531207500 1006046988 /nfs/dbraw/zinc/04/69/88/1006046988.db2.gz CYPJCXFLOFABBV-QHCPKHFHSA-N 0 3 410.558 3.764 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000514708839 1006090472 /nfs/dbraw/zinc/09/04/72/1006090472.db2.gz QKRQVTVVLCGSFA-INIZCTEOSA-N 0 3 424.574 3.995 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000514960798 1006219338 /nfs/dbraw/zinc/21/93/38/1006219338.db2.gz FOVXALMBFABWBV-JLAWEPINSA-N 0 3 419.639 3.668 20 30 HHEDHN Cc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1CCO[C@H]1CCCCO1 ZINC000534673972 1006651720 /nfs/dbraw/zinc/65/17/20/1006651720.db2.gz CBMWQOIZWSPDMA-YJBOKZPZSA-N 0 3 422.407 3.639 20 30 HHEDHN Cc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1CCO[C@@H]1CCCCO1 ZINC000534673969 1006652023 /nfs/dbraw/zinc/65/20/23/1006652023.db2.gz CBMWQOIZWSPDMA-CRAIPNDOSA-N 0 3 422.407 3.639 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(Oc3cccc(C#N)c3)CC1)CCC2 ZINC000532558187 1006991154 /nfs/dbraw/zinc/99/11/54/1006991154.db2.gz QBQCTPSOIUUWCG-UHFFFAOYSA-N 0 3 420.538 3.852 20 30 HHEDHN N#Cc1ccccc1COc1cccc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000532566319 1006998564 /nfs/dbraw/zinc/99/85/64/1006998564.db2.gz QXCUTWWCHSWAGN-HXUWFJFHSA-N 0 3 417.431 3.780 20 30 HHEDHN COC(=O)CC1(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCCC1 ZINC000532723772 1007133841 /nfs/dbraw/zinc/13/38/41/1007133841.db2.gz NZMQPZRMJUFDSS-UHFFFAOYSA-N 0 3 403.548 3.683 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(F)c2I)CC1 ZINC000516934553 1007346360 /nfs/dbraw/zinc/34/63/60/1007346360.db2.gz DQRKIQYGKRZRFF-UHFFFAOYSA-N 0 3 417.266 3.592 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)N(C)CCOCc2ccc(C#N)cc2)N(C)C)cc1 ZINC000516943281 1007349423 /nfs/dbraw/zinc/34/94/23/1007349423.db2.gz QSXAWYDVUTVGGL-QHCPKHFHSA-N 0 3 408.546 3.582 20 30 HHEDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000539088068 1007376558 /nfs/dbraw/zinc/37/65/58/1007376558.db2.gz ZFMFOHABKPISSG-CQSZACIVSA-N 0 3 405.376 3.972 20 30 HHEDHN COc1cc(C#N)ccc1OCCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000533048352 1007410982 /nfs/dbraw/zinc/41/09/82/1007410982.db2.gz OPFFCUXPYKLGHZ-UHFFFAOYSA-N 0 3 403.486 3.610 20 30 HHEDHN C/C=C/c1ccc(OC[C@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)c(OC)c1 ZINC000517134749 1007449006 /nfs/dbraw/zinc/44/90/06/1007449006.db2.gz GYGCBKMBDBJRCW-LAEWNIMASA-N 0 3 422.525 3.883 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000539259271 1007554267 /nfs/dbraw/zinc/55/42/67/1007554267.db2.gz BPOUFGLVQLUUJB-MOPGFXCFSA-N 0 3 417.513 3.867 20 30 HHEDHN COc1cc(CN2CCC[C@H](CCC(N)=O)C2)ccc1OCc1cccc(C#N)c1 ZINC000533265176 1007581104 /nfs/dbraw/zinc/58/11/04/1007581104.db2.gz YSYUYAHOSLMNGB-GOSISDBHSA-N 0 3 407.514 3.623 20 30 HHEDHN C=CCC[C@H](NCC(=O)NC(=O)NCC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000539329898 1007629901 /nfs/dbraw/zinc/62/99/01/1007629901.db2.gz FYPQVCFYSCVLAL-ZDUSSCGKSA-N 0 3 411.346 3.690 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000533343720 1007650697 /nfs/dbraw/zinc/65/06/97/1007650697.db2.gz BJZOOOQQMMEWRE-NRFANRHFSA-N 0 3 424.541 3.514 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)N(C)C)cc1 ZINC000517599579 1007801620 /nfs/dbraw/zinc/80/16/20/1007801620.db2.gz IANOHRVWLSCVBU-REWPJTCUSA-N 0 3 423.536 3.577 20 30 HHEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CNC1(c2ccc(F)cc2)CCCC1 ZINC000533511258 1007829066 /nfs/dbraw/zinc/82/90/66/1007829066.db2.gz LFRPIPPRTQHGCD-UHFFFAOYSA-N 0 3 403.461 3.881 20 30 HHEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000533513489 1007832237 /nfs/dbraw/zinc/83/22/37/1007832237.db2.gz IQNKEDZJBZFRRR-JOCHJYFZSA-N 0 3 403.461 3.953 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N1CCCC[C@@H]1C ZINC000517853112 1008014330 /nfs/dbraw/zinc/01/43/30/1008014330.db2.gz LUKBZKNRLSVHFP-ZWKOTPCHSA-N 0 3 420.513 3.668 20 30 HHEDHN CS(=O)(=O)c1cccc([C@@H](NCCCC2(C#N)CCOCC2)c2ccccc2)c1 ZINC000539710854 1008028265 /nfs/dbraw/zinc/02/82/65/1008028265.db2.gz JROQHNOYTPJPLY-QFIPXVFZSA-N 0 3 412.555 3.870 20 30 HHEDHN CS(=O)(=O)c1cccc([C@H](NCCCC2(C#N)CCOCC2)c2ccccc2)c1 ZINC000539710853 1008028305 /nfs/dbraw/zinc/02/83/05/1008028305.db2.gz JROQHNOYTPJPLY-JOCHJYFZSA-N 0 3 412.555 3.870 20 30 HHEDHN C=CCc1cc(C(=O)C(C#N)c2nc(C(=O)OCC)cs2)cc(OC)c1OC ZINC000517926643 1008060018 /nfs/dbraw/zinc/06/00/18/1008060018.db2.gz WPROMRKKZNNLES-AWEZNQCLSA-N 0 3 400.456 3.556 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)CC1 ZINC000517982159 1008085767 /nfs/dbraw/zinc/08/57/67/1008085767.db2.gz FRKZFZPMWPCNHG-UHFFFAOYSA-N 0 3 407.543 3.766 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000517997256 1008093311 /nfs/dbraw/zinc/09/33/11/1008093311.db2.gz BUFRBOUNLHBGKK-UHFFFAOYSA-N 0 3 405.970 3.728 20 30 HHEDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000539818567 1008113489 /nfs/dbraw/zinc/11/34/89/1008113489.db2.gz XPKADOAFWYNDQU-ZEQRLZLVSA-N 0 3 406.526 3.889 20 30 HHEDHN C=CCOc1ccc(CN2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)cc1OC ZINC000539851076 1008139560 /nfs/dbraw/zinc/13/95/60/1008139560.db2.gz KMUNCAVACDGCBZ-KRWDZBQOSA-N 0 3 414.468 3.883 20 30 HHEDHN C=CCOc1ccc(CN2CCc3cc(OC)c(OC)c(OC)c3CC2)cc1OC ZINC000539862119 1008147189 /nfs/dbraw/zinc/14/71/89/1008147189.db2.gz HTOWGBJHYAJDJK-UHFFFAOYSA-N 0 3 413.514 3.887 20 30 HHEDHN CN(CCOCc1ccc(C#N)cc1)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000518432761 1008303444 /nfs/dbraw/zinc/30/34/44/1008303444.db2.gz CVBULIBMUMESCU-UHFFFAOYSA-N 0 3 421.570 3.715 20 30 HHEDHN C=CCN(Cc1cn(C)nc1-c1cccs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000540481912 1008448958 /nfs/dbraw/zinc/44/89/58/1008448958.db2.gz QQAVPYBNRMQWPY-INIZCTEOSA-N 0 3 405.531 3.874 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N1CCC[C@H](C)C1 ZINC000519088807 1008527291 /nfs/dbraw/zinc/52/72/91/1008527291.db2.gz ROFXROYBGGXYHF-ROUUACIJSA-N 0 3 420.513 3.526 20 30 HHEDHN C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000548957244 1008541324 /nfs/dbraw/zinc/54/13/24/1008541324.db2.gz FLULRMUSRPGRDJ-PKTZIBPZSA-N 0 3 422.621 3.611 20 30 HHEDHN CC(C)COc1ncc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1Cl ZINC000543078391 1008656080 /nfs/dbraw/zinc/65/60/80/1008656080.db2.gz YGRGEENLNKQGGZ-UHFFFAOYSA-N 0 3 414.937 3.845 20 30 HHEDHN C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000549320681 1008898480 /nfs/dbraw/zinc/89/84/80/1008898480.db2.gz CQCXMHDUUOTXIB-UHFFFAOYSA-N 0 3 413.541 3.517 20 30 HHEDHN C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000519783683 1009004351 /nfs/dbraw/zinc/00/43/51/1009004351.db2.gz AOUHSSFVPODRCG-CRAIPNDOSA-N 0 3 401.942 3.930 20 30 HHEDHN N#Cc1ccc(-c2nnc(N3CCN(C4CCCC4)CC3)n2Cc2ccccc2)cc1 ZINC000549510489 1009118823 /nfs/dbraw/zinc/11/88/23/1009118823.db2.gz SCYRANSFBSHJNG-UHFFFAOYSA-N 0 3 412.541 3.930 20 30 HHEDHN C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc2c(c1)CCCC2 ZINC000546211933 1009237407 /nfs/dbraw/zinc/23/74/07/1009237407.db2.gz NMYNABWGFXVHIH-XMSQKQJNSA-N 0 3 422.598 3.687 20 30 HHEDHN C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000549654351 1009282295 /nfs/dbraw/zinc/28/22/95/1009282295.db2.gz ONPXLOVJIFDNPI-HXUWFJFHSA-N 0 3 423.605 3.977 20 30 HHEDHN N#Cc1c(NC(=O)CCN[C@@H](CO)c2cccc(F)c2)sc2c1CCCCC2 ZINC000543811732 1009373625 /nfs/dbraw/zinc/37/36/25/1009373625.db2.gz WJICPVYTOSMSEL-SFHVURJKSA-N 0 3 401.507 3.680 20 30 HHEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000549813393 1009420023 /nfs/dbraw/zinc/42/00/23/1009420023.db2.gz JSVLTEBCUBPCKI-UHFFFAOYSA-N 0 3 410.827 3.829 20 30 HHEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000543886567 1009462715 /nfs/dbraw/zinc/46/27/15/1009462715.db2.gz KPZPTHGRUONYRX-UHFFFAOYSA-N 0 3 424.455 3.618 20 30 HHEDHN CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CC1 ZINC000549954668 1009562851 /nfs/dbraw/zinc/56/28/51/1009562851.db2.gz MAHQNWMZJIHHJT-UHFFFAOYSA-N 0 3 406.559 3.705 20 30 HHEDHN N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CC2)c1 ZINC000520546537 1009631827 /nfs/dbraw/zinc/63/18/27/1009631827.db2.gz KZFVZCXKBNTXKI-NRFANRHFSA-N 0 3 421.516 3.979 20 30 HHEDHN CS[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@@H]1N(C)C ZINC000546843694 1009801737 /nfs/dbraw/zinc/80/17/37/1009801737.db2.gz BCGITNWHQXTESE-FCHUYYIVSA-N 0 3 424.570 3.955 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000544310187 1009933257 /nfs/dbraw/zinc/93/32/57/1009933257.db2.gz XBHCGTANVOQXNV-YLJYHZDGSA-N 0 3 408.502 3.540 20 30 HHEDHN N#CC(C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccncn1 ZINC000544816154 1010409068 /nfs/dbraw/zinc/40/90/68/1010409068.db2.gz ZRADHEQKFOEHON-KRWDZBQOSA-N 0 3 421.254 3.981 20 30 HHEDHN CCN(CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544897793 1010473729 /nfs/dbraw/zinc/47/37/29/1010473729.db2.gz QFCUXKFRVYKZDB-HXUWFJFHSA-N 0 3 408.571 3.837 20 30 HHEDHN CCN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544897778 1010473863 /nfs/dbraw/zinc/47/38/63/1010473863.db2.gz QFCUXKFRVYKZDB-FQEVSTJZSA-N 0 3 408.571 3.837 20 30 HHEDHN C=CCN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cccc(C#N)c1 ZINC000521711266 1010566893 /nfs/dbraw/zinc/56/68/93/1010566893.db2.gz SBCCGAHBVLLRKE-UHFFFAOYSA-N 0 3 402.498 3.702 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000521847291 1010657091 /nfs/dbraw/zinc/65/70/91/1010657091.db2.gz LLHZUGSCHNUBRV-QFIPXVFZSA-N 0 3 402.494 3.995 20 30 HHEDHN CC[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000540591691 1011249075 /nfs/dbraw/zinc/24/90/75/1011249075.db2.gz KJZZEPXMEQKETR-XZOQPEGZSA-N 0 3 408.521 3.584 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1OC1CCC1 ZINC000522827899 1011263862 /nfs/dbraw/zinc/26/38/62/1011263862.db2.gz HBRYYYKAWXXPDA-UHFFFAOYSA-N 0 3 406.530 3.763 20 30 HHEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CN1Cc1ccccc1 ZINC000540979638 1011611957 /nfs/dbraw/zinc/61/19/57/1011611957.db2.gz JKDDIYJWVLIMQD-FUHWJXTLSA-N 0 3 418.476 3.668 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000540988948 1011621906 /nfs/dbraw/zinc/62/19/06/1011621906.db2.gz OGQGXFDIAUISCS-IBGZPJMESA-N 0 3 411.468 3.829 20 30 HHEDHN Cc1oc(NC(=O)[C@@H](C)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c(C#N)c1C ZINC000552058518 1012076528 /nfs/dbraw/zinc/07/65/28/1012076528.db2.gz MMLXBQBIJUFKRT-ZUSMLRIVSA-N 0 3 403.429 3.963 20 30 HHEDHN C=CCc1cc(CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc(OC)c1OC ZINC000523598258 1012161287 /nfs/dbraw/zinc/16/12/87/1012161287.db2.gz CRADGFOKZAFBOO-OAQYLSRUSA-N 0 3 411.546 3.843 20 30 HHEDHN CCc1cccc2c1OCC[C@H]2NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000523626614 1012207542 /nfs/dbraw/zinc/20/75/42/1012207542.db2.gz KRNFVJAVSJFYBE-JOCHJYFZSA-N 0 3 406.530 3.718 20 30 HHEDHN N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 ZINC000552199216 1012210510 /nfs/dbraw/zinc/21/05/10/1012210510.db2.gz QNPRLKUBVJZHTI-OAQYLSRUSA-N 0 3 417.465 3.549 20 30 HHEDHN N#Cc1ccccc1OCCN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000537017343 1012319052 /nfs/dbraw/zinc/31/90/52/1012319052.db2.gz UFTMVNNHTIJZFQ-IBGZPJMESA-N 0 3 417.431 3.909 20 30 HHEDHN C=CCC[C@@H](NCC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000537157062 1012553002 /nfs/dbraw/zinc/55/30/02/1012553002.db2.gz LXNCZSPWEJTHPB-NZQKXSOJSA-N 0 3 411.590 3.781 20 30 HHEDHN CCCN(C)[C@@H](CNC(=O)COc1ccc(C#N)cc1OC)c1ccc(Cl)cc1 ZINC000552683882 1012694663 /nfs/dbraw/zinc/69/46/63/1012694663.db2.gz KGWJGDQSMYQZDP-IBGZPJMESA-N 0 3 415.921 3.798 20 30 HHEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000537278341 1012733079 /nfs/dbraw/zinc/73/30/79/1012733079.db2.gz DISNVMSENYJSBX-CKJXQJPGSA-N 0 3 403.548 3.731 20 30 HHEDHN C=CCC[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537290776 1012749872 /nfs/dbraw/zinc/74/98/72/1012749872.db2.gz KOCRHWMWRJTUAL-RTWAWAEBSA-N 0 3 408.571 3.754 20 30 HHEDHN C[C@@H](CN1CCCCC1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552814090 1012821233 /nfs/dbraw/zinc/82/12/33/1012821233.db2.gz CGWVILINFDXSAF-KRWDZBQOSA-N 0 3 402.970 3.809 20 30 HHEDHN Cc1ccc([C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)N(C)C)cc1 ZINC000542034543 1012932714 /nfs/dbraw/zinc/93/27/14/1012932714.db2.gz ICJQUZUJUXLQHH-HXUWFJFHSA-N 0 3 406.465 3.616 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)N(C)C)cc1 ZINC000553053766 1013028820 /nfs/dbraw/zinc/02/88/20/1013028820.db2.gz KEUCCKJKLQTYAT-REWPJTCUSA-N 0 3 408.521 3.505 20 30 HHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC(C)(C)[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000570889473 1072402952 /nfs/dbraw/zinc/40/29/52/1072402952.db2.gz XWHBWKWKEJNRQT-CFLQYTFWSA-N 0 3 401.576 3.963 20 30 HHEDHN C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](NC(=O)CCOCC)c1ccnc2ccc(OC)cc21 ZINC001142525617 1072418714 /nfs/dbraw/zinc/41/87/14/1072418714.db2.gz FJBHHZSJWDVUNC-NJLIDXMJSA-N 0 3 423.557 3.724 20 30 HHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000586794979 1072444627 /nfs/dbraw/zinc/44/46/27/1072444627.db2.gz KXGFFNKPWOZTAA-QGZVFWFLSA-N 0 3 424.353 3.811 20 30 HHEDHN CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000571709177 1072703481 /nfs/dbraw/zinc/70/34/81/1072703481.db2.gz XIIPYPCKCPEDDH-QFIPXVFZSA-N 0 3 420.532 3.647 20 30 HHEDHN CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000571709170 1072703540 /nfs/dbraw/zinc/70/35/40/1072703540.db2.gz XIIPYPCKCPEDDH-JOCHJYFZSA-N 0 3 420.532 3.647 20 30 HHEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000587846425 1072707114 /nfs/dbraw/zinc/70/71/14/1072707114.db2.gz HOVSSPGBEXPZNF-DENIHFKCSA-N 0 3 420.532 3.647 20 30 HHEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)N(C)C)cc1 ZINC000588664862 1073082126 /nfs/dbraw/zinc/08/21/26/1073082126.db2.gz CYHPSNYTFFMRHZ-XZOQPEGZSA-N 0 3 406.530 3.935 20 30 HHEDHN CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CCN1C ZINC000555170750 1073228592 /nfs/dbraw/zinc/22/85/92/1073228592.db2.gz QTFMVSMHYHLBCA-JOCHJYFZSA-N 0 3 400.530 3.641 20 30 HHEDHN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000555255316 1073303852 /nfs/dbraw/zinc/30/38/52/1073303852.db2.gz CYTHVRKJFBXJOO-HKUYNNGSSA-N 0 3 401.530 3.910 20 30 HHEDHN COc1cc(Br)ccc1[C@@H](C)NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000555316277 1073329283 /nfs/dbraw/zinc/32/92/83/1073329283.db2.gz LOVOSCMOEOJZDZ-PBHICJAKSA-N 0 3 419.319 3.614 20 30 HHEDHN CCO[C@@H]1C[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1n1cccn1 ZINC000555648769 1073704431 /nfs/dbraw/zinc/70/44/31/1073704431.db2.gz WOEBNLSYSGLOGC-WXFUMESZSA-N 0 3 402.498 3.842 20 30 HHEDHN C=CCN1CCC(NC(=O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000592069063 1074687220 /nfs/dbraw/zinc/68/72/20/1074687220.db2.gz JUFRFSHGEUGBPO-UHFFFAOYSA-N 0 3 403.320 3.748 20 30 HHEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000760936012 1074700556 /nfs/dbraw/zinc/70/05/56/1074700556.db2.gz KOAXQBKWFWTXJC-HZPDHXFCSA-N 0 3 413.543 3.916 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)CC1 ZINC000592526903 1074781556 /nfs/dbraw/zinc/78/15/56/1074781556.db2.gz VXHFLEUZTCRDEI-UHFFFAOYSA-N 0 3 403.420 3.876 20 30 HHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCCNC(=O)OCc1ccccc1 ZINC000761000563 1075128041 /nfs/dbraw/zinc/12/80/41/1075128041.db2.gz DMDAWEMLNOOUCR-GOSISDBHSA-N 0 3 404.470 3.846 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 ZINC000594124786 1075265024 /nfs/dbraw/zinc/26/50/24/1075265024.db2.gz KSDBJHKUGARHQA-LKUPVBHCSA-N 0 3 413.562 3.604 20 30 HHEDHN C=CCN(Cc1ccccc1F)C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000596831606 1075591405 /nfs/dbraw/zinc/59/14/05/1075591405.db2.gz WGODIZYXNSVIKV-UHFFFAOYSA-N 0 3 419.504 3.531 20 30 HHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625245 719066803 /nfs/dbraw/zinc/06/68/03/719066803.db2.gz NBRKZSAAPFYFMV-RDJZCZTQSA-N 0 3 417.966 3.761 20 30 HHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625245 719066808 /nfs/dbraw/zinc/06/68/08/719066808.db2.gz NBRKZSAAPFYFMV-RDJZCZTQSA-N 0 3 417.966 3.761 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(Oc3ccc(F)cc3)CC2)c(OC)c1 ZINC000303634558 971914397 /nfs/dbraw/zinc/91/43/97/971914397.db2.gz GAGOFWBTGLJDOK-HXUWFJFHSA-N 0 3 415.505 3.846 20 30 HHEDHN C=CCc1cc(CN2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)cc(OC)c1O ZINC000537649844 1013210507 /nfs/dbraw/zinc/21/05/07/1013210507.db2.gz ISSCHJQIHFNWJG-KRWDZBQOSA-N 0 3 414.468 3.752 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000542308549 1013266321 /nfs/dbraw/zinc/26/63/21/1013266321.db2.gz GHSZSIHGXIWVMO-GMAHTHKFSA-N 0 3 410.493 3.591 20 30 HHEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000537728656 1013289110 /nfs/dbraw/zinc/28/91/10/1013289110.db2.gz OCSRXYDNWOACTN-JOCHJYFZSA-N 0 3 409.555 3.753 20 30 HHEDHN CC(C)(C)c1ccc(OC[C@@H](O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000025303733 964235643 /nfs/dbraw/zinc/23/56/43/964235643.db2.gz MNNIZRKPMJEPGM-DEOSSOPVSA-N 0 3 421.585 3.803 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(F)cc2c1OCOC2 ZINC000053050490 965049901 /nfs/dbraw/zinc/04/99/01/965049901.db2.gz LJMCVNUYQKGNKG-UHFFFAOYSA-N 0 3 418.538 3.790 20 30 HHEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000058461694 965743581 /nfs/dbraw/zinc/74/35/81/965743581.db2.gz VAYOXMIXPXTBJO-HSZRJFAPSA-N 0 3 406.530 3.553 20 30 HHEDHN C=CCc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)c(OC)c1 ZINC000032761509 966324441 /nfs/dbraw/zinc/32/44/41/966324441.db2.gz YXIQQNXHYFDTLR-GOSISDBHSA-N 0 3 400.544 3.817 20 30 HHEDHN C=C(C)COc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)ccc1OC ZINC000060948490 966334082 /nfs/dbraw/zinc/33/40/82/966334082.db2.gz KUHLPFUORFWSKF-UHFFFAOYSA-N 0 3 400.494 3.916 20 30 HHEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000061502921 966482431 /nfs/dbraw/zinc/48/24/31/966482431.db2.gz AHFULJUJIGZYEP-QHCPKHFHSA-N 0 3 407.562 3.608 20 30 HHEDHN Cc1ccc(CN(CCN(C)C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000056829487 966484622 /nfs/dbraw/zinc/48/46/22/966484622.db2.gz WEAOEVCGGSDNMA-UHFFFAOYSA-N 0 3 407.436 3.732 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000063402403 966844900 /nfs/dbraw/zinc/84/49/00/966844900.db2.gz DMSALSBZAYWHFL-NRFANRHFSA-N 0 3 408.502 3.957 20 30 HHEDHN COc1ccc([C@H](CCO)NCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000538128239 1013690556 /nfs/dbraw/zinc/69/05/56/1013690556.db2.gz LVWMJXZFSSBLRJ-IBGZPJMESA-N 0 3 413.543 3.549 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)ccc1Br ZINC000047011405 968031071 /nfs/dbraw/zinc/03/10/71/968031071.db2.gz ICHYNRATAWDYRU-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(Cl)c2cccnc12 ZINC000065930408 968720663 /nfs/dbraw/zinc/72/06/63/968720663.db2.gz UMPBZYWUMARVIV-UHFFFAOYSA-N 0 3 422.916 3.729 20 30 HHEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000105260932 969227047 /nfs/dbraw/zinc/22/70/47/969227047.db2.gz LTPLCHDIKYJTDU-MRXNPFEDSA-N 0 3 419.934 3.646 20 30 HHEDHN CC(C)(C)OC(=O)NC1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000110981509 969753650 /nfs/dbraw/zinc/75/36/50/969753650.db2.gz WAGOTIAOMONJIX-UHFFFAOYSA-N 0 3 406.914 3.529 20 30 HHEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000195662322 969940444 /nfs/dbraw/zinc/94/04/44/969940444.db2.gz AGHJTYYYGMBHII-FDDCHVKYSA-N 0 3 415.493 3.901 20 30 HHEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000195707428 969971104 /nfs/dbraw/zinc/97/11/04/969971104.db2.gz QSEQMWRXGYHLOO-UHFFFAOYSA-N 0 3 405.951 3.744 20 30 HHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000140309486 970072485 /nfs/dbraw/zinc/07/24/85/970072485.db2.gz LOFZVCQSGXGIOC-INIZCTEOSA-N 0 3 406.423 3.988 20 30 HHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000237024095 970208704 /nfs/dbraw/zinc/20/87/04/970208704.db2.gz QKZDWKVJYUVHGD-IBGZPJMESA-N 0 3 404.470 3.819 20 30 HHEDHN C=CCOc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1OC ZINC000237239951 970247043 /nfs/dbraw/zinc/24/70/43/970247043.db2.gz XSCLMRUNYXMMLM-RTBURBONSA-N 0 3 424.541 3.799 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@@H](CO)C2CCCCC2)c1C#N ZINC000554635778 1013995617 /nfs/dbraw/zinc/99/56/17/1013995617.db2.gz MIQBDXGPHKRSHU-NRFANRHFSA-N 0 3 412.509 3.574 20 30 HHEDHN Cc1noc([C@@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)C2)n1 ZINC000250901877 970541064 /nfs/dbraw/zinc/54/10/64/970541064.db2.gz OIJSRYDWLOEWDD-DZGCQCFKSA-N 0 3 413.547 3.644 20 30 HHEDHN COCCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc(C#N)cc1 ZINC000554729799 1014033416 /nfs/dbraw/zinc/03/34/16/1014033416.db2.gz JAKMQWMUECXMLS-NRFANRHFSA-N 0 3 413.468 3.695 20 30 HHEDHN [NH2+]=C(NCc1ccc([O-])c(Br)c1)Nc1ccccc1OC(F)(F)F ZINC000305241836 972611682 /nfs/dbraw/zinc/61/16/82/972611682.db2.gz RQYSUKDTVXPSSN-UHFFFAOYSA-N 0 3 404.186 3.980 20 30 HHEDHN CC(C)[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)N1CCc2ccccc2C1 ZINC000409579494 973028370 /nfs/dbraw/zinc/02/83/70/973028370.db2.gz GHTTWNSSZUNQCJ-XMMPIXPASA-N 0 3 413.525 3.557 20 30 HHEDHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000426146994 974265050 /nfs/dbraw/zinc/26/50/50/974265050.db2.gz BRKWYTJJTBIXSD-UHFFFAOYSA-N 0 3 411.937 3.671 20 30 HHEDHN Clc1ccc(C#CCN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000427017497 974829016 /nfs/dbraw/zinc/82/90/16/974829016.db2.gz WCJURSSDJCWJHL-QFIPXVFZSA-N 0 3 408.977 3.621 20 30 HHEDHN C[C@H]1CN(CCC2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000427310043 975042951 /nfs/dbraw/zinc/04/29/51/975042951.db2.gz XFGZCLBPNHXOFA-OALUTQOASA-N 0 3 415.603 3.529 20 30 HHEDHN N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(CN4CC[C@H](O)C4)c3)o2)cc1 ZINC000428555538 975867554 /nfs/dbraw/zinc/86/75/54/975867554.db2.gz YJQNDLLRFNDDRV-FQEVSTJZSA-N 0 3 417.465 3.549 20 30 HHEDHN C[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)N(C)Cc1ccccc1 ZINC000428709544 976000751 /nfs/dbraw/zinc/00/07/51/976000751.db2.gz MHKLUHCNPMGFDH-LJQANCHMSA-N 0 3 401.514 3.714 20 30 HHEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429004026 976283532 /nfs/dbraw/zinc/28/35/32/976283532.db2.gz QHVRNWRKPFYSLK-XMMPIXPASA-N 0 3 420.557 3.771 20 30 HHEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429035365 976318696 /nfs/dbraw/zinc/31/86/96/976318696.db2.gz LSMYAISLIKMBOF-XMMPIXPASA-N 0 3 420.557 3.769 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN[C@@H]2Cc3cccc(O)c3C2)c1C#N ZINC000429312905 976583445 /nfs/dbraw/zinc/58/34/45/976583445.db2.gz AJKUNFBTAFPLOO-GOSISDBHSA-N 0 3 418.472 3.506 20 30 HHEDHN CC1(C)Cc2c(cccc2Br)[C@@H]1NCC(=O)NCc1cccc(C#N)c1 ZINC000429386605 976660349 /nfs/dbraw/zinc/66/03/49/976660349.db2.gz WYXOYYDHAMQOHT-FQEVSTJZSA-N 0 3 412.331 3.850 20 30 HHEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)nc1 ZINC000430171330 977367122 /nfs/dbraw/zinc/36/71/22/977367122.db2.gz SRGLTXBCAFBGED-GOSISDBHSA-N 0 3 413.403 3.811 20 30 HHEDHN Cc1nc(COc2ccc(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2)cs1 ZINC000430176369 977370793 /nfs/dbraw/zinc/37/07/93/977370793.db2.gz JRIJNAKREXNCFP-OAQYLSRUSA-N 0 3 406.511 3.951 20 30 HHEDHN C=CCN1C(=O)N(C[C@H](c2cccs2)N2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430969755 977919408 /nfs/dbraw/zinc/91/94/08/977919408.db2.gz FEGUBWFBPQDMNS-WOJBJXKFSA-N 0 3 409.555 3.947 20 30 HHEDHN Cc1c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)noc1-c1ccccc1F ZINC000433913089 979674950 /nfs/dbraw/zinc/67/49/50/979674950.db2.gz BNESMMHGNRUBDT-UHFFFAOYSA-N 0 3 421.476 4.257 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000434667431 980329490 /nfs/dbraw/zinc/32/94/90/980329490.db2.gz VQVWIGZACJYSPW-UHFFFAOYSA-N 0 3 419.573 3.963 20 30 HHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434687120 980339672 /nfs/dbraw/zinc/33/96/72/980339672.db2.gz WPSQRSPKRDYYMV-GOSISDBHSA-N 0 3 423.536 3.873 20 30 HHEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000448321139 981698092 /nfs/dbraw/zinc/69/80/92/981698092.db2.gz LOKWGRLDEPVXQZ-NRFANRHFSA-N 0 3 420.513 3.526 20 30 HHEDHN CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460165481 981937756 /nfs/dbraw/zinc/93/77/56/981937756.db2.gz FIPZHPBAXSGXLN-UHFFFAOYSA-N 0 3 418.520 3.612 20 30 HHEDHN N#Cc1ccc(OCCNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000460265565 982042194 /nfs/dbraw/zinc/04/21/94/982042194.db2.gz LJJNDKLKHOHJMW-OAQYLSRUSA-N 0 3 417.431 3.508 20 30 HHEDHN N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](N4CC=CC4)C3)c2)cc1 ZINC000437760352 982340681 /nfs/dbraw/zinc/34/06/81/982340681.db2.gz QMOGNJLZJRKVGX-QFIPXVFZSA-N 0 3 402.498 3.810 20 30 HHEDHN C=C(C)Cn1c(COc2ccccc2OCC)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460559947 982345711 /nfs/dbraw/zinc/34/57/11/982345711.db2.gz NKVODHLUTYRKOP-LJQANCHMSA-N 0 3 411.550 3.505 20 30 HHEDHN N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000437895756 982445896 /nfs/dbraw/zinc/44/58/96/982445896.db2.gz NFIJNNAVTQGVJB-NRFANRHFSA-N 0 3 402.498 3.810 20 30 HHEDHN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460800408 982552728 /nfs/dbraw/zinc/55/27/28/982552728.db2.gz DOKOYJLOKGEFIG-BHIFYINESA-N 0 3 407.562 3.772 20 30 HHEDHN C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460952002 982685577 /nfs/dbraw/zinc/68/55/77/982685577.db2.gz NLVNOUHWPDNPPH-RBUKOAKNSA-N 0 3 413.566 3.751 20 30 HHEDHN C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460952000 982685664 /nfs/dbraw/zinc/68/56/64/982685664.db2.gz NLVNOUHWPDNPPH-MOPGFXCFSA-N 0 3 413.566 3.751 20 30 HHEDHN CN1CCN(CCCNC(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000438836029 983105024 /nfs/dbraw/zinc/10/50/24/983105024.db2.gz DRHUHHSERAPGBY-ZEQRLZLVSA-N 0 3 419.573 3.709 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@@H](OCc3ccncc3)C1)CCCCC2 ZINC000439000364 983202791 /nfs/dbraw/zinc/20/27/91/983202791.db2.gz AEFWCMFYQFKWJX-GOSISDBHSA-N 0 3 424.570 3.903 20 30 HHEDHN C[C@@H]1C[C@H](c2ccccc2)CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000439328171 983367435 /nfs/dbraw/zinc/36/74/35/983367435.db2.gz WXRWTRWXZKMQJA-CEMLEFRQSA-N 0 3 422.598 3.725 20 30 HHEDHN C[C@H](NCc1ccccc1CN(C)Cc1ccco1)C(=O)NC1(C#N)CCCCC1 ZINC000439598794 983465959 /nfs/dbraw/zinc/46/59/59/983465959.db2.gz SXXLGHHVNHRXAG-IBGZPJMESA-N 0 3 408.546 3.732 20 30 HHEDHN COc1cc(NC2CCN(CCC(=O)Nc3sccc3C#N)CC2)cc(OC)c1 ZINC000440550160 983793083 /nfs/dbraw/zinc/79/30/83/983793083.db2.gz ZITXAULWEQUWBG-UHFFFAOYSA-N 0 3 414.531 3.542 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2nc(COC)sc2-c2ccccc2)CC1 ZINC000441035902 984035007 /nfs/dbraw/zinc/03/50/07/984035007.db2.gz WDJPWNYMQUNJOA-UHFFFAOYSA-N 0 3 414.575 3.796 20 30 HHEDHN N#CC1CCC(CN[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000442109867 984640886 /nfs/dbraw/zinc/64/08/86/984640886.db2.gz LWQDPSURIOGNJR-KXXGJQBSSA-N 0 3 405.498 3.692 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)CC1 ZINC000442282955 984788999 /nfs/dbraw/zinc/78/89/99/984788999.db2.gz DQDRVSXPBIVUPO-IBGZPJMESA-N 0 3 421.541 3.840 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(CCCc3ccccc3)cc2)CC1 ZINC000442307818 984804556 /nfs/dbraw/zinc/80/45/56/984804556.db2.gz NTARJEQGVWUUIG-UHFFFAOYSA-N 0 3 405.542 3.567 20 30 HHEDHN O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000462028141 985005457 /nfs/dbraw/zinc/00/54/57/985005457.db2.gz VZEOTEQACPNYJY-UHFFFAOYSA-N 0 3 410.521 3.632 20 30 HHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)n1 ZINC000442606826 985088854 /nfs/dbraw/zinc/08/88/54/985088854.db2.gz PVNARVRJJZFJGO-GOSISDBHSA-N 0 3 411.527 3.950 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000462469141 985427516 /nfs/dbraw/zinc/42/75/16/985427516.db2.gz AXNXDCBGZIEVGC-PKTZIBPZSA-N 0 3 406.530 3.552 20 30 HHEDHN C=C(C)COc1cc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)ccc1OC ZINC000462759868 985698086 /nfs/dbraw/zinc/69/80/86/985698086.db2.gz YYFUUZXSCDHIFD-FSSWDIPSSA-N 0 3 406.526 3.897 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000443679053 985890137 /nfs/dbraw/zinc/89/01/37/985890137.db2.gz YRABCEILWWFYIG-WOJBJXKFSA-N 0 3 421.541 3.756 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000468334889 986031091 /nfs/dbraw/zinc/03/10/91/986031091.db2.gz YLNUAPVYUJPEJR-AWEZNQCLSA-N 0 3 410.356 3.858 20 30 HHEDHN Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)ccc1C#N ZINC000443910229 986109205 /nfs/dbraw/zinc/10/92/05/986109205.db2.gz URAXZGFBDZICGE-QHCPKHFHSA-N 0 3 409.555 3.544 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000463203107 986174603 /nfs/dbraw/zinc/17/46/03/986174603.db2.gz JKADYILHQIIMJX-ZRBLBEILSA-N 0 3 413.562 3.738 20 30 HHEDHN COc1cccc(-c2noc([C@@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)n2)c1 ZINC000463208617 986180032 /nfs/dbraw/zinc/18/00/32/986180032.db2.gz XZZNZQRMCSOWFT-QGZVFWFLSA-N 0 3 417.513 3.932 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000463275209 986242295 /nfs/dbraw/zinc/24/22/95/986242295.db2.gz URPXEEWVFSIVIF-PGRDOPGGSA-N 0 3 408.502 3.813 20 30 HHEDHN Cc1ccc2c(CCNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cn(C)c2c1 ZINC000444116132 986315528 /nfs/dbraw/zinc/31/55/28/986315528.db2.gz VKWSBMSLXCILEQ-UHFFFAOYSA-N 0 3 417.557 3.674 20 30 HHEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444341977 986521096 /nfs/dbraw/zinc/52/10/96/986521096.db2.gz UFTNTLIOVACXCA-UHFFFAOYSA-N 0 3 404.514 3.855 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)c(Cl)cc2OC)CC1 ZINC000469376545 987073321 /nfs/dbraw/zinc/07/33/21/987073321.db2.gz FVCTXKXQMOLZKK-UHFFFAOYSA-N 0 3 401.732 3.881 20 30 HHEDHN N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000469869724 987507923 /nfs/dbraw/zinc/50/79/23/987507923.db2.gz FUPLILRWCYCNFJ-XMMPIXPASA-N 0 3 421.541 3.515 20 30 HHEDHN N#Cc1ccc(CC(C#N)C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 ZINC000470828147 988900919 /nfs/dbraw/zinc/90/09/19/988900919.db2.gz YZXYTIIQYFGNSW-IBGZPJMESA-N 0 3 416.868 3.743 20 30 HHEDHN CC(C)(C)C(=O)N1CCC(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000471020444 989091134 /nfs/dbraw/zinc/09/11/34/989091134.db2.gz USYFHCKKZHDRSL-NRFANRHFSA-N 0 3 416.997 3.807 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464901795 989173493 /nfs/dbraw/zinc/17/34/93/989173493.db2.gz PYTZXUFSBRSYOF-FQEVSTJZSA-N 0 3 421.541 3.849 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000471248948 989395142 /nfs/dbraw/zinc/39/51/42/989395142.db2.gz FYDASSILZSFSDC-UHFFFAOYSA-N 0 3 424.467 3.529 20 30 HHEDHN CCOc1ccc(C#N)cc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471249649 989395925 /nfs/dbraw/zinc/39/59/25/989395925.db2.gz JOMVQYQUVWBGRD-UHFFFAOYSA-N 0 3 410.440 3.884 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(Br)s1 ZINC000471301491 989462899 /nfs/dbraw/zinc/46/28/99/989462899.db2.gz QSIVGNGZERXNAI-UHFFFAOYSA-N 0 3 406.349 3.895 20 30 HHEDHN CN(C)[C@@H](CNc1ccc(C#N)c(NC[C@@H](c2ccco2)N(C)C)n1)c1ccco1 ZINC000472040799 990211172 /nfs/dbraw/zinc/21/11/72/990211172.db2.gz AETYTWVUMVEWMR-ROUUACIJSA-N 0 3 408.506 3.569 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000466218427 991432662 /nfs/dbraw/zinc/43/26/62/991432662.db2.gz AFXBVVIJOATKPA-UHFFFAOYSA-N 0 3 405.340 3.770 20 30 HHEDHN COc1ccc(-c2cncc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2)cc1 ZINC000466281718 991528456 /nfs/dbraw/zinc/52/84/56/991528456.db2.gz VPCFXQRHMHGFPD-UHFFFAOYSA-N 0 3 414.509 3.833 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)CC1 ZINC000467185785 992507729 /nfs/dbraw/zinc/50/77/29/992507729.db2.gz HICRAWRVESHAFW-UHFFFAOYSA-N 0 3 413.543 3.779 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000467756107 993001221 /nfs/dbraw/zinc/00/12/21/993001221.db2.gz CSACTPMSNBANPB-MAUKXSAKSA-N 0 3 406.555 3.945 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000467818257 993052075 /nfs/dbraw/zinc/05/20/75/993052075.db2.gz YQQPZRPWXXSDGG-UHFFFAOYSA-N 0 3 408.546 3.654 20 30 HHEDHN N#Cc1cccc(-c2cc(C(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)on2)c1 ZINC000473527245 994383027 /nfs/dbraw/zinc/38/30/27/994383027.db2.gz SYUIJOSRVZTWNP-UHFFFAOYSA-N 0 3 418.419 3.748 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC1 ZINC000481957184 994840644 /nfs/dbraw/zinc/84/06/44/994840644.db2.gz KUGRBOOAGLHYNK-UHFFFAOYSA-N 0 3 422.352 3.740 20 30 HHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000482001462 994903168 /nfs/dbraw/zinc/90/31/68/994903168.db2.gz UJOFYRQVGNOVHQ-NRFANRHFSA-N 0 3 413.518 3.795 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000482074700 995010190 /nfs/dbraw/zinc/01/01/90/995010190.db2.gz BBMCPTSKLCTVST-UHFFFAOYSA-N 0 3 422.920 3.993 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CC1 ZINC000482387943 995372754 /nfs/dbraw/zinc/37/27/54/995372754.db2.gz PILIZQXZXIUIAA-OAHLLOKOSA-N 0 3 407.383 3.841 20 30 HHEDHN N#CC(C(=O)c1ccc(F)c(I)c1)c1cnc2ccccc2n1 ZINC000483201426 996034623 /nfs/dbraw/zinc/03/46/23/996034623.db2.gz MTLJEUHQKNJUMG-LLVKDONJSA-N 0 3 417.181 3.864 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000475391078 996108695 /nfs/dbraw/zinc/10/86/95/996108695.db2.gz ROUATGRPSCSXHB-UHFFFAOYSA-N 0 3 422.529 3.949 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCCc1ccc(F)c(F)c1 ZINC000483357820 996122480 /nfs/dbraw/zinc/12/24/80/996122480.db2.gz OCUONTYIFXMBMJ-UHFFFAOYSA-N 0 3 414.500 3.933 20 30 HHEDHN C=CCc1cccc(C(C)C)c1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000475555131 996217068 /nfs/dbraw/zinc/21/70/68/996217068.db2.gz KSTMCSLUSNMFKG-HXUWFJFHSA-N 0 3 400.567 3.603 20 30 HHEDHN CC(C)(C#N)c1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)cc1 ZINC000476097332 996593215 /nfs/dbraw/zinc/59/32/15/996593215.db2.gz RQGBXSYZCAUISP-UHFFFAOYSA-N 0 3 409.505 3.900 20 30 HHEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000484534020 996866055 /nfs/dbraw/zinc/86/60/55/996866055.db2.gz SSIOEDHQQZEXOB-UHFFFAOYSA-N 0 3 410.518 3.950 20 30 HHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484669074 997008633 /nfs/dbraw/zinc/00/86/33/997008633.db2.gz JRBVVQZYMNPNFE-FALJEUHXSA-N 0 3 414.638 3.653 20 30 HHEDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000477106663 997759271 /nfs/dbraw/zinc/75/92/71/997759271.db2.gz ISXGRFIQCFFONP-IBGZPJMESA-N 0 3 408.502 3.891 20 30 HHEDHN N#Cc1c(NC(=O)CN2CCN(C3CCCCC3)CC2)sc2c1CCCCC2 ZINC000486243126 998671535 /nfs/dbraw/zinc/67/15/35/998671535.db2.gz JDFBYPYFTSRBHN-UHFFFAOYSA-N 0 3 400.592 3.777 20 30 HHEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCN(C3CCCCC3)CC2)c1C#N ZINC000486252675 998676840 /nfs/dbraw/zinc/67/68/40/998676840.db2.gz OYYSZXRZWCYGMK-UHFFFAOYSA-N 0 3 419.573 3.855 20 30 HHEDHN C=C(C)CN(C)C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000486297594 998701330 /nfs/dbraw/zinc/70/13/30/998701330.db2.gz HGIQJZQSQFTKDA-UHFFFAOYSA-N 0 3 412.500 3.825 20 30 HHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000478143474 998784016 /nfs/dbraw/zinc/78/40/16/998784016.db2.gz JOHOCNHXCPQDKE-QZTJIDSGSA-N 0 3 424.570 3.514 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000486998566 999030834 /nfs/dbraw/zinc/03/08/34/999030834.db2.gz QYSAXSYJAHTKOC-MRXNPFEDSA-N 0 3 411.377 3.912 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2cc(-c3c(OC)ccc4ccccc43)no2)CC1 ZINC000487153856 999082711 /nfs/dbraw/zinc/08/27/11/999082711.db2.gz HTHUWBVHPCFLFM-UHFFFAOYSA-N 0 3 420.513 3.953 20 30 HHEDHN Cc1ccc(NC(=O)C[C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000488482788 999503069 /nfs/dbraw/zinc/50/30/69/999503069.db2.gz SDSISISGYNZVSB-IERDGZPVSA-N 0 3 424.932 3.628 20 30 HHEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccco1 ZINC000480272077 999760728 /nfs/dbraw/zinc/76/07/28/999760728.db2.gz VYSLOJODXXCTCA-YOEHRIQHSA-N 0 3 410.453 3.727 20 30 HHEDHN CC[C@@H](C)[C@H](NCc1cc(C#N)n(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000480394714 999788709 /nfs/dbraw/zinc/78/87/09/999788709.db2.gz OWSWZNPUPFKPLX-DVECYGJZSA-N 0 3 406.574 3.882 20 30 HHEDHN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000491146865 1000050143 /nfs/dbraw/zinc/05/01/43/1000050143.db2.gz PGUFLRXYVKDMHQ-HXUWFJFHSA-N 0 3 414.513 3.513 20 30 HHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000492147720 1000111756 /nfs/dbraw/zinc/11/17/56/1000111756.db2.gz ISNXIGKMOVQERT-UHFFFAOYSA-N 0 3 407.514 3.802 20 30 HHEDHN Cc1nc(SCC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c(C#N)c(C)c1C ZINC000494000601 1000262125 /nfs/dbraw/zinc/26/21/25/1000262125.db2.gz SQAVIXZKTXIJNH-RXVVDRJESA-N 0 3 408.571 3.750 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC1 ZINC000494341048 1000441772 /nfs/dbraw/zinc/44/17/72/1000441772.db2.gz WMYOMAQDHFUQHJ-UHFFFAOYSA-N 0 3 409.321 3.736 20 30 HHEDHN N#Cc1ccc(N2CCC(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC2)c(F)c1 ZINC000505236036 1000637319 /nfs/dbraw/zinc/63/73/19/1000637319.db2.gz SXCLWNBHUZEWTG-HSZRJFAPSA-N 0 3 420.532 3.867 20 30 HHEDHN CC1CCC(N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000494760846 1000639046 /nfs/dbraw/zinc/63/90/46/1000639046.db2.gz RIAKKPVZWDDTJR-ACBHZAAOSA-N 0 3 412.578 3.867 20 30 HHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C)CC12CCCCC2 ZINC000494891762 1000715128 /nfs/dbraw/zinc/71/51/28/1000715128.db2.gz KDKUOIXSGQMPGE-SFHVURJKSA-N 0 3 400.592 3.970 20 30 HHEDHN COCCn1cc(NC(=O)C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 ZINC000505438446 1000773310 /nfs/dbraw/zinc/77/33/10/1000773310.db2.gz POLUEMOWULGUAH-HNNXBMFYSA-N 0 3 401.879 3.552 20 30 HHEDHN COc1ccc(CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1OCCCC#N ZINC000506128609 1001237576 /nfs/dbraw/zinc/23/75/76/1001237576.db2.gz IOGZPXRHLNIAGJ-UHFFFAOYSA-N 0 3 423.513 3.934 20 30 HHEDHN CCOc1c(OC)cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000506273448 1001322097 /nfs/dbraw/zinc/32/20/97/1001322097.db2.gz QXANGUPCFWWUID-UHFFFAOYSA-N 0 3 409.530 3.682 20 30 HHEDHN CN1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000497402450 1001340358 /nfs/dbraw/zinc/34/03/58/1001340358.db2.gz CQJPTXFSIVQSHG-RPWUZVMVSA-N 0 3 411.505 3.965 20 30 HHEDHN CC(C)c1nc(C2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000506597825 1001467198 /nfs/dbraw/zinc/46/71/98/1001467198.db2.gz BHANVQXDSJXNNH-UHFFFAOYSA-N 0 3 401.898 3.926 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000506682805 1001492836 /nfs/dbraw/zinc/49/28/36/1001492836.db2.gz YIYOANKLEKQHSU-UHFFFAOYSA-N 0 3 407.518 3.780 20 30 HHEDHN C/C=C\c1ccc(OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000498389795 1001818331 /nfs/dbraw/zinc/81/83/31/1001818331.db2.gz IWQFRXCVNNLPOQ-WAYWQWQTSA-N 0 3 407.514 3.569 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000498900854 1002292628 /nfs/dbraw/zinc/29/26/28/1002292628.db2.gz PLIQJGDFWUPVGD-JOCHJYFZSA-N 0 3 421.541 3.897 20 30 HHEDHN N#Cc1ccc(OC2CCN(C(=O)NCCCN3CCc4ccccc4C3)CC2)cc1 ZINC000508204529 1002738059 /nfs/dbraw/zinc/73/80/59/1002738059.db2.gz KWEONTKALYUPGT-UHFFFAOYSA-N 0 3 418.541 3.559 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000499417910 1002801650 /nfs/dbraw/zinc/80/16/50/1002801650.db2.gz DRIZMNCDVRYRKU-UHFFFAOYSA-N 0 3 420.557 3.901 20 30 HHEDHN C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC2CC2)CC1 ZINC000508491679 1002974524 /nfs/dbraw/zinc/97/45/24/1002974524.db2.gz ULNOYMBXPLKRMX-UHFFFAOYSA-N 0 3 420.330 3.565 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCc1c[nH]c2ccc(F)cc12 ZINC000508628972 1003080073 /nfs/dbraw/zinc/08/00/73/1003080073.db2.gz MJKDBUHOAZQVDO-UHFFFAOYSA-N 0 3 421.520 3.885 20 30 HHEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000508658534 1003100701 /nfs/dbraw/zinc/10/07/01/1003100701.db2.gz RLWJHTKWHYPNIA-FCMAGTKHSA-N 0 3 416.610 3.513 20 30 HHEDHN C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(C2CCCC2)CC1 ZINC000508739631 1003177189 /nfs/dbraw/zinc/17/71/89/1003177189.db2.gz LQQCERNJZPONQD-UHFFFAOYSA-N 0 3 411.550 3.506 20 30 HHEDHN C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508900130 1003333849 /nfs/dbraw/zinc/33/38/49/1003333849.db2.gz AHNZGXKNPYJBJY-JPYJTQIMSA-N 0 3 406.530 3.802 20 30 HHEDHN C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC000508906672 1003344801 /nfs/dbraw/zinc/34/48/01/1003344801.db2.gz HTBPKLQMKNOSBW-IBGZPJMESA-N 0 3 413.566 3.781 20 30 HHEDHN C=CCN1CC[C@@H](N(C)CCCC(=O)Nc2c(C)cc(Br)cc2C)C1=O ZINC000500022370 1003349171 /nfs/dbraw/zinc/34/91/71/1003349171.db2.gz ATLQBAWWNAECBZ-QGZVFWFLSA-N 0 3 422.367 3.503 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000508965908 1003433746 /nfs/dbraw/zinc/43/37/46/1003433746.db2.gz OMAIWBKYIIEYDP-UHFFFAOYSA-N 0 3 400.482 3.530 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)c(Oc3ccc(C)nn3)c2)CC1 ZINC000500077976 1003433824 /nfs/dbraw/zinc/43/38/24/1003433824.db2.gz BJTKFOAIBPDBAR-UHFFFAOYSA-N 0 3 411.506 3.748 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000508983628 1003454875 /nfs/dbraw/zinc/45/48/75/1003454875.db2.gz LGXTYDMNMWVGFY-UHFFFAOYSA-N 0 3 416.312 3.717 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000509081833 1003539361 /nfs/dbraw/zinc/53/93/61/1003539361.db2.gz UVQSWSZOXIGKFM-BWKNWUBXSA-N 0 3 406.526 3.857 20 30 HHEDHN CC[C@@H](C)N[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccco1 ZINC000509553520 1003941394 /nfs/dbraw/zinc/94/13/94/1003941394.db2.gz HQJSQUPEJNHPSF-QUCCMNQESA-N 0 3 409.534 3.502 20 30 HHEDHN CC[C@H](C)N[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000509567327 1003949913 /nfs/dbraw/zinc/94/99/13/1003949913.db2.gz IZFZZZNQXPLMGS-UWJYYQICSA-N 0 3 410.518 3.833 20 30 HHEDHN C=CCOc1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1OC ZINC000512360372 1004246611 /nfs/dbraw/zinc/24/66/11/1004246611.db2.gz XHGMJSDLAOGAIO-UHFFFAOYSA-N 0 3 414.571 3.892 20 30 HHEDHN CCN(CC)S(=O)(=O)c1ccc(CCN[C@H](C)c2ccc(C#N)cc2F)s1 ZINC000512630781 1004443669 /nfs/dbraw/zinc/44/36/69/1004443669.db2.gz NYSDBNAHAMIZOL-CQSZACIVSA-N 0 3 409.552 3.683 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000510688602 1004799703 /nfs/dbraw/zinc/79/97/03/1004799703.db2.gz ZWNQPESNAAASBN-UHFFFAOYSA-N 0 3 406.408 3.894 20 30 HHEDHN C=CCOc1cccc(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000510740857 1004826427 /nfs/dbraw/zinc/82/64/27/1004826427.db2.gz XTXXUCYTPVRZNC-UHFFFAOYSA-N 0 3 408.546 3.581 20 30 HHEDHN N#Cc1ccc(OCCN2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1 ZINC000502386713 1005050890 /nfs/dbraw/zinc/05/08/90/1005050890.db2.gz QCPRGVJNPRFOLJ-HXUWFJFHSA-N 0 3 415.497 3.792 20 30 HHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000513724892 1005097405 /nfs/dbraw/zinc/09/74/05/1005097405.db2.gz KAZRGHMHFREUCR-SBUREZEXSA-N 0 3 413.541 3.534 20 30 HHEDHN COC(=O)COc1c(C)cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1C ZINC000513750918 1005109045 /nfs/dbraw/zinc/10/90/45/1005109045.db2.gz RJLROMDHFHQVTE-UHFFFAOYSA-N 0 3 408.498 3.770 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)nn1-c1cccc(C#N)c1 ZINC000503050877 1005328046 /nfs/dbraw/zinc/32/80/46/1005328046.db2.gz FSZOFPKPKWJLPH-UHFFFAOYSA-N 0 3 401.514 3.565 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503766124 1005490903 /nfs/dbraw/zinc/49/09/03/1005490903.db2.gz QXAFJZWSUSIEJN-HOTGVXAUSA-N 0 3 417.962 3.647 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000515294108 1006382288 /nfs/dbraw/zinc/38/22/88/1006382288.db2.gz ZGUBPLXZQXRRHU-QFIPXVFZSA-N 0 3 408.571 3.928 20 30 HHEDHN COCCOc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)nc2ccccc21 ZINC000534668274 1006645383 /nfs/dbraw/zinc/64/53/83/1006645383.db2.gz RLCOKYUOSFOXPT-MRXNPFEDSA-N 0 3 400.438 3.637 20 30 HHEDHN CCC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538388854 1006658430 /nfs/dbraw/zinc/65/84/30/1006658430.db2.gz HYIMZUQWPVDNHW-GOTSBHOMSA-N 0 3 408.521 3.666 20 30 HHEDHN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000538390561 1006660781 /nfs/dbraw/zinc/66/07/81/1006660781.db2.gz SDQSSHKYAPIWPT-CRMKJKLXSA-N 0 3 411.546 3.818 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCn1c2ccccc2nc1C1CC1 ZINC000538789215 1007071417 /nfs/dbraw/zinc/07/14/17/1007071417.db2.gz QCZNVWUCTQNHSS-UHFFFAOYSA-N 0 3 415.541 3.766 20 30 HHEDHN CC[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)Cc1ccccc1 ZINC000516552348 1007150817 /nfs/dbraw/zinc/15/08/17/1007150817.db2.gz FEFWRPTXLSPYTQ-DEOSSOPVSA-N 0 3 404.558 3.503 20 30 HHEDHN C=CCCO[C@H](C)C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000538924342 1007208927 /nfs/dbraw/zinc/20/89/27/1007208927.db2.gz HCJLGDKYKPBMQI-OAQYLSRUSA-N 0 3 407.558 3.971 20 30 HHEDHN C=C[C@@H](CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000535356380 1007413159 /nfs/dbraw/zinc/41/31/59/1007413159.db2.gz VKVKROYDPCBXIE-PKTZIBPZSA-N 0 3 418.585 3.802 20 30 HHEDHN COC(=O)CC1(NCC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCCC1 ZINC000533068096 1007431538 /nfs/dbraw/zinc/43/15/38/1007431538.db2.gz IBXNQGLPKYNNPW-MRXNPFEDSA-N 0 3 403.548 3.732 20 30 HHEDHN N#Cc1cccc(OC2CCN(C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)c1 ZINC000517132928 1007447824 /nfs/dbraw/zinc/44/78/24/1007447824.db2.gz CPRKEHKDKQJADX-OFVILXPXSA-N 0 3 406.526 3.857 20 30 HHEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCCN(Cc2ccccc2)CC1 ZINC000533229378 1007551952 /nfs/dbraw/zinc/55/19/52/1007551952.db2.gz FKUNWOKJJVHREK-KRWDZBQOSA-N 0 3 408.571 3.643 20 30 HHEDHN CC(C)(C)[C@H](COc1ccccc1F)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000539491428 1007801799 /nfs/dbraw/zinc/80/17/99/1007801799.db2.gz PMEDYORBYXKHFU-FQEVSTJZSA-N 0 3 404.507 3.554 20 30 HHEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1-c1cccc(F)c1 ZINC000539581662 1007898273 /nfs/dbraw/zinc/89/82/73/1007898273.db2.gz YPVCSEWYWRIPDJ-UHFFFAOYSA-N 0 3 420.492 3.787 20 30 HHEDHN N#Cc1cccc(OC2CCN(C[C@H](O)COc3cccc4ccccc43)CC2)c1 ZINC000517907902 1008050652 /nfs/dbraw/zinc/05/06/52/1008050652.db2.gz KURLQOLLGNWSMV-NRFANRHFSA-N 0 3 402.494 3.995 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC1 ZINC000518004867 1008098109 /nfs/dbraw/zinc/09/81/09/1008098109.db2.gz CBANTLKRGMBLMA-UHFFFAOYSA-N 0 3 422.529 3.866 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000518512826 1008333342 /nfs/dbraw/zinc/33/33/42/1008333342.db2.gz AOHXQWJXGWNFFE-JOCHJYFZSA-N 0 3 406.530 3.706 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000518522817 1008337158 /nfs/dbraw/zinc/33/71/58/1008337158.db2.gz RBRLWYFZFXNEFK-UHFFFAOYSA-N 0 3 409.530 3.724 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)CC1 ZINC000518528791 1008339800 /nfs/dbraw/zinc/33/98/00/1008339800.db2.gz VIWAPGARJWCQFV-UHFFFAOYSA-N 0 3 406.530 3.697 20 30 HHEDHN N#Cc1ccc(OCCN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000540319174 1008377750 /nfs/dbraw/zinc/37/77/50/1008377750.db2.gz KTOBLGJIGMWWPO-FQEVSTJZSA-N 0 3 417.431 3.909 20 30 HHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549038017 1008605488 /nfs/dbraw/zinc/60/54/88/1008605488.db2.gz XFFMTHCTVVHFFX-VMRPVKRXSA-N 0 3 408.949 3.601 20 30 HHEDHN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000549292440 1008864943 /nfs/dbraw/zinc/86/49/43/1008864943.db2.gz RPMBOIZXYXSTFS-YADHBBJMSA-N 0 3 409.578 3.849 20 30 HHEDHN CC(C)N1CC[C@@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000549467397 1009059855 /nfs/dbraw/zinc/05/98/55/1009059855.db2.gz CMFFTRLRCQEFCG-ITEAAPOESA-N 0 3 412.484 3.977 20 30 HHEDHN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000549601027 1009229956 /nfs/dbraw/zinc/22/99/56/1009229956.db2.gz CIPMKPNNTSBFTG-QHCPKHFHSA-N 0 3 423.605 3.945 20 30 HHEDHN C=C(C)Cn1c(CC(C)C)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549655383 1009282576 /nfs/dbraw/zinc/28/25/76/1009282576.db2.gz ULMLVWKGCIEDJW-PMACEKPBSA-N 0 3 403.615 3.768 20 30 HHEDHN C=C(C)Cn1c(CC(C)C)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549655384 1009282763 /nfs/dbraw/zinc/28/27/63/1009282763.db2.gz ULMLVWKGCIEDJW-WOJBJXKFSA-N 0 3 403.615 3.768 20 30 HHEDHN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000549675296 1009306872 /nfs/dbraw/zinc/30/68/72/1009306872.db2.gz GJSSBIUBSSQCHJ-QHCPKHFHSA-N 0 3 423.605 3.945 20 30 HHEDHN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000549691198 1009320784 /nfs/dbraw/zinc/32/07/84/1009320784.db2.gz YRXOPIYQTWOFPX-IFMALSPDSA-N 0 3 409.578 3.555 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2nnn(-c3cccc(Cl)c3)c2CCC)CC1 ZINC000520246375 1009365690 /nfs/dbraw/zinc/36/56/90/1009365690.db2.gz DSJNDYWOSLLNMH-UHFFFAOYSA-N 0 3 401.942 3.644 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000520693653 1009761793 /nfs/dbraw/zinc/76/17/93/1009761793.db2.gz KFEMDPDTDHDSQZ-UHFFFAOYSA-N 0 3 405.970 3.728 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)CC1 ZINC000521240492 1010246765 /nfs/dbraw/zinc/24/67/65/1010246765.db2.gz VQCUAVDRABEMTR-SFHVURJKSA-N 0 3 422.367 3.955 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000544663264 1010282137 /nfs/dbraw/zinc/28/21/37/1010282137.db2.gz RIXDZNCLBBUOFX-UHFFFAOYSA-N 0 3 403.486 3.707 20 30 HHEDHN N#C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc(Cl)c1Cl ZINC000521293549 1010284435 /nfs/dbraw/zinc/28/44/35/1010284435.db2.gz XXOCQVHWOLLMJH-CRAIPNDOSA-N 0 3 403.313 3.981 20 30 HHEDHN COc1ccc([C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)N2CCCC2)cc1 ZINC000551231540 1010453523 /nfs/dbraw/zinc/45/35/23/1010453523.db2.gz PJABVZXFMAGTBA-JOCHJYFZSA-N 0 3 404.514 3.692 20 30 HHEDHN COc1ccc([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)N2CCCC2)cc1 ZINC000551231542 1010453748 /nfs/dbraw/zinc/45/37/48/1010453748.db2.gz PJABVZXFMAGTBA-QFIPXVFZSA-N 0 3 404.514 3.692 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000521588788 1010484511 /nfs/dbraw/zinc/48/45/11/1010484511.db2.gz KMVJMBMWHRDJPS-UHFFFAOYSA-N 0 3 420.557 3.821 20 30 HHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000551275084 1010488892 /nfs/dbraw/zinc/48/88/92/1010488892.db2.gz MWNYDYLIIGTQHP-UHFFFAOYSA-N 0 3 419.550 3.968 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCCN(c3cccc(Cl)c3C)CC2)CC1 ZINC000551544705 1010651284 /nfs/dbraw/zinc/65/12/84/1010651284.db2.gz PREMROHMFLFUSK-UHFFFAOYSA-N 0 3 404.986 3.911 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(F)c(Cl)c1 ZINC000521846741 1010656247 /nfs/dbraw/zinc/65/62/47/1010656247.db2.gz GQTREWSSTBTLCZ-UHFFFAOYSA-N 0 3 403.885 3.710 20 30 HHEDHN N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522031807 1010766052 /nfs/dbraw/zinc/76/60/52/1010766052.db2.gz LXUPRLPEOCRWNA-DDRJZQQSSA-N 0 3 418.541 3.672 20 30 HHEDHN Cc1ccccc1[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 ZINC000540591753 1011249102 /nfs/dbraw/zinc/24/91/02/1011249102.db2.gz YZNQLRWDYQENLL-OFNKIYASSA-N 0 3 408.571 3.506 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC000540979564 1011612126 /nfs/dbraw/zinc/61/21/26/1011612126.db2.gz XBSQTBCHQXWACY-SFHVURJKSA-N 0 3 424.505 3.903 20 30 HHEDHN Cc1ccccc1CN1CCCN(C(=O)CN(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000541318457 1012028127 /nfs/dbraw/zinc/02/81/27/1012028127.db2.gz LZAJGSAYMKAKGH-UHFFFAOYSA-N 0 3 416.569 3.566 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN[C@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000541380441 1012098353 /nfs/dbraw/zinc/09/83/53/1012098353.db2.gz LCPUKQGSIPUFPH-JTHBVZDNSA-N 0 3 410.493 3.591 20 30 HHEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000537108806 1012480109 /nfs/dbraw/zinc/48/01/09/1012480109.db2.gz KMEHRGJFUDQJSH-MSOLQXFVSA-N 0 3 423.536 3.517 20 30 HHEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000537249650 1012696203 /nfs/dbraw/zinc/69/62/03/1012696203.db2.gz OAVZOOSVKVAQFE-SFTDATJTSA-N 0 3 410.587 3.930 20 30 HHEDHN C=CCC[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537290774 1012749109 /nfs/dbraw/zinc/74/91/09/1012749109.db2.gz KOCRHWMWRJTUAL-NHCUHLMSSA-N 0 3 408.571 3.754 20 30 HHEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000537390724 1012871018 /nfs/dbraw/zinc/87/10/18/1012871018.db2.gz UYMAYCRBJISDOM-DYESRHJHSA-N 0 3 421.944 3.544 20 30 HHEDHN C[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)N(C)Cc1ccccc1 ZINC000542027219 1012922251 /nfs/dbraw/zinc/92/22/51/1012922251.db2.gz YTVMYDZBDOSVAG-INIZCTEOSA-N 0 3 406.465 3.525 20 30 HHEDHN CN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC001127053521 1072228057 /nfs/dbraw/zinc/22/80/57/1072228057.db2.gz JZFMXUKOSJTCLO-FQEVSTJZSA-N 0 3 412.331 3.596 20 30 HHEDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000572051047 1073123843 /nfs/dbraw/zinc/12/38/43/1073123843.db2.gz YAYXAZWEXJLGBM-SVIJTADQSA-N 0 3 400.885 3.713 20 30 HHEDHN CCN1CC[C@H](NCC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555132874 1073184230 /nfs/dbraw/zinc/18/42/30/1073184230.db2.gz NHZZEQVLPIGDEP-FUHWJXTLSA-N 0 3 406.914 3.776 20 30 HHEDHN C=C(C)Cn1c(CC2CC2)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000555268502 1073301075 /nfs/dbraw/zinc/30/10/75/1073301075.db2.gz MKSZVKUXTDWHJZ-RTBURBONSA-N 0 3 401.599 3.522 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)CC1 ZINC000592075537 1074687755 /nfs/dbraw/zinc/68/77/55/1074687755.db2.gz GXPZIRJFFHGTJC-UHFFFAOYSA-N 0 3 417.351 3.714 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000592077158 1074688261 /nfs/dbraw/zinc/68/82/61/1074688261.db2.gz DKCGIEOUXMLVFR-UHFFFAOYSA-N 0 3 400.954 3.972 20 30 HHEDHN COc1ccc(COCCCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000760965279 1074740541 /nfs/dbraw/zinc/74/05/41/1074740541.db2.gz HFNWCQDUQSEXBV-KRWDZBQOSA-N 0 3 400.862 3.993 20 30 HHEDHN Cc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164897854 721513639 /nfs/dbraw/zinc/51/36/39/721513639.db2.gz GNZKIZBDXJVBIU-SJLPKXTDSA-N 0 3 400.885 3.705 20 30 HHEDHN N#Cc1cc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c2ccccc2n1 ZINC000301394211 970906161 /nfs/dbraw/zinc/90/61/61/970906161.db2.gz DCNRENILWVGNCJ-HXUWFJFHSA-N 0 3 412.541 3.540 20 30 HHEDHN N#Cc1ccc(N2CC[C@@H](N3CCC[C@H](c4nc(C5CCCCC5)n[nH]4)C3)C2=O)cc1 ZINC000537561610 1013093321 /nfs/dbraw/zinc/09/33/21/1013093321.db2.gz HOSOZTADUNOYBA-PZJWPPBQSA-N 0 3 418.545 3.709 20 30 HHEDHN N#Cc1ccc(N2CC[C@@H](N3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)C2=O)cc1 ZINC000537561610 1013093338 /nfs/dbraw/zinc/09/33/38/1013093338.db2.gz HOSOZTADUNOYBA-PZJWPPBQSA-N 0 3 418.545 3.709 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)CC1 ZINC000303308902 971618480 /nfs/dbraw/zinc/61/84/80/971618480.db2.gz RNQMLIXYPSCYHI-UHFFFAOYSA-N 0 3 406.452 3.970 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)CC1 ZINC000303385269 971675344 /nfs/dbraw/zinc/67/53/44/971675344.db2.gz YGEMJSRFAMMQOV-UHFFFAOYSA-N 0 3 417.557 3.924 20 30 HHEDHN N#Cc1ccc(CN(C[C@@H](O)COc2ccc(Br)cc2)C2CC2)cc1 ZINC000542247015 1013205772 /nfs/dbraw/zinc/20/57/72/1013205772.db2.gz DVLXEGPPNODTQN-LJQANCHMSA-N 0 3 401.304 3.725 20 30 HHEDHN C=CCOc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccc(OC)cc2)cc1OC ZINC000537728662 1013290182 /nfs/dbraw/zinc/29/01/82/1013290182.db2.gz OIHSEHDWECFYDB-NRFANRHFSA-N 0 3 410.514 3.836 20 30 HHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000553355686 1013296546 /nfs/dbraw/zinc/29/65/46/1013296546.db2.gz IOMXCHFOUZVANY-QGZVFWFLSA-N 0 3 411.525 3.811 20 30 HHEDHN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000553364104 1013303621 /nfs/dbraw/zinc/30/36/21/1013303621.db2.gz FBZDCXFAPGQZGU-ROUUACIJSA-N 0 3 405.477 3.997 20 30 HHEDHN Cc1onc(CC(=O)N2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)c1C#N ZINC000553546764 1013442399 /nfs/dbraw/zinc/44/23/99/1013442399.db2.gz LAGMJKMJQMRHOD-OAQYLSRUSA-N 0 3 408.546 3.589 20 30 HHEDHN CCOc1ccccc1-c1nnc(SCC(=O)C(C#N)c2nc(C)cs2)o1 ZINC000026210642 964485491 /nfs/dbraw/zinc/48/54/91/964485491.db2.gz XMXXTSLTSYCSOJ-ZDUSSCGKSA-N 0 3 400.485 3.869 20 30 HHEDHN N#Cc1ccc(OC[C@H](O)CN(Cc2cccc(Br)c2)C2CC2)cc1 ZINC000026446780 964564767 /nfs/dbraw/zinc/56/47/67/964564767.db2.gz NDEQKEVDBIDEHW-LJQANCHMSA-N 0 3 401.304 3.725 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000052485626 964916296 /nfs/dbraw/zinc/91/62/96/964916296.db2.gz KYYSDVQZIUPGQW-GUDVDZBRSA-N 0 3 419.639 3.526 20 30 HHEDHN N#Cc1ccccc1NC(=O)CCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000060090213 966060151 /nfs/dbraw/zinc/06/01/51/966060151.db2.gz KVWLBXNRFKQKBO-HXUWFJFHSA-N 0 3 405.502 3.563 20 30 HHEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC#Cc1ccccc1 ZINC000056595740 966387629 /nfs/dbraw/zinc/38/76/29/966387629.db2.gz ALOIFGQJISEURQ-UHFFFAOYSA-N 0 3 414.347 3.574 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC000062403656 966664425 /nfs/dbraw/zinc/66/44/25/966664425.db2.gz YUMOARDJNZJWLU-UHFFFAOYSA-N 0 3 414.937 3.852 20 30 HHEDHN CCOc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000062410863 966669219 /nfs/dbraw/zinc/66/92/19/966669219.db2.gz IGPJLJRTOFBGGH-UHFFFAOYSA-N 0 3 402.445 3.831 20 30 HHEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)COc1ccc(C#N)cc1 ZINC000064470666 967200047 /nfs/dbraw/zinc/20/00/47/967200047.db2.gz IDAZSBDSRMISDV-UHFFFAOYSA-N 0 3 405.420 3.546 20 30 HHEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(C2CCCC2)CC1 ZINC000045768202 967549355 /nfs/dbraw/zinc/54/93/55/967549355.db2.gz VIEOKLORPYHHBE-INIZCTEOSA-N 0 3 400.592 3.776 20 30 HHEDHN CN(C)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)Cc1ccccc1 ZINC000048184221 968474284 /nfs/dbraw/zinc/47/42/84/968474284.db2.gz OPLNULAQDWYSNY-HXUWFJFHSA-N 0 3 403.482 3.633 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1nc2ccccc2s1 ZINC000065930030 968719844 /nfs/dbraw/zinc/71/98/44/968719844.db2.gz BCCYUUIXAARWMB-UHFFFAOYSA-N 0 3 410.568 3.850 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(OCc2ccccc2)c1 ZINC000065930235 968720792 /nfs/dbraw/zinc/72/07/92/968720792.db2.gz KJZPJCAVRICQLF-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN Cc1cc(C)n(-c2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2)n1 ZINC000065931194 968721696 /nfs/dbraw/zinc/72/16/96/968721696.db2.gz HOUMJPSTWSLAIM-UHFFFAOYSA-N 0 3 401.514 3.565 20 30 HHEDHN COc1ccc(Cl)cc1NCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000109347533 969503941 /nfs/dbraw/zinc/50/39/41/969503941.db2.gz VLWSYVGDKOVESQ-UHFFFAOYSA-N 0 3 414.937 3.613 20 30 HHEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111040244 969765494 /nfs/dbraw/zinc/76/54/94/969765494.db2.gz VFEZUPSHUQJNFG-KRWDZBQOSA-N 0 3 411.525 3.811 20 30 HHEDHN C[C@H](Oc1ccccc1C#N)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000113145330 969825880 /nfs/dbraw/zinc/82/58/80/969825880.db2.gz UUGNTVMTFRMOJD-FZMZJTMJSA-N 0 3 402.237 3.980 20 30 HHEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000116676017 969913710 /nfs/dbraw/zinc/91/37/10/969913710.db2.gz XWKRSZVMVUHNRC-GDBMZVCRSA-N 0 3 406.552 3.716 20 30 HHEDHN CC(C)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000117174562 969940164 /nfs/dbraw/zinc/94/01/64/969940164.db2.gz FSTHMFSRXLOEHK-HSZRJFAPSA-N 0 3 407.583 3.991 20 30 HHEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000195662323 969940263 /nfs/dbraw/zinc/94/02/63/969940263.db2.gz AGHJTYYYGMBHII-JPYJTQIMSA-N 0 3 415.493 3.901 20 30 HHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000140309644 970072572 /nfs/dbraw/zinc/07/25/72/970072572.db2.gz LOFZVCQSGXGIOC-MRXNPFEDSA-N 0 3 406.423 3.988 20 30 HHEDHN COc1ccc([C@H](NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000218769611 970086052 /nfs/dbraw/zinc/08/60/52/970086052.db2.gz CPKMNTBCKAFZFY-JOCHJYFZSA-N 0 3 416.443 3.923 20 30 HHEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237013082 970206578 /nfs/dbraw/zinc/20/65/78/970206578.db2.gz FEQAZJHTUROZCJ-ROUUACIJSA-N 0 3 415.559 3.859 20 30 HHEDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3cccc(OCCCC#N)c3)cc2)C[C@@H](C)O1 ZINC000237658729 970332612 /nfs/dbraw/zinc/33/26/12/970332612.db2.gz JAUPXMURZBAXMO-WOJBJXKFSA-N 0 3 421.541 3.908 20 30 HHEDHN C=CCC[C@H](NC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000554628879 1013993435 /nfs/dbraw/zinc/99/34/35/1013993435.db2.gz HLORAHDNXJQGIV-CVDCTZTESA-N 0 3 420.557 3.547 20 30 HHEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000409573697 973023055 /nfs/dbraw/zinc/02/30/55/973023055.db2.gz GEIMDCBMVFBDHY-NRFANRHFSA-N 0 3 419.569 3.876 20 30 HHEDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2)CC1 ZINC000409863609 973332035 /nfs/dbraw/zinc/33/20/35/973332035.db2.gz CQSPJPYWVMUYFH-UHFFFAOYSA-N 0 3 414.513 3.527 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000426957624 974778311 /nfs/dbraw/zinc/77/83/11/974778311.db2.gz UHNHNVPBNGSYFN-DNQXCXABSA-N 0 3 420.557 3.769 20 30 HHEDHN CCOc1nc(C(F)(F)F)ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000428705086 975996393 /nfs/dbraw/zinc/99/63/93/975996393.db2.gz ARUMHNRHAPOZBD-UHFFFAOYSA-N 0 3 420.435 3.575 20 30 HHEDHN C=CCN(CCc1ccccc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429005388 976286538 /nfs/dbraw/zinc/28/65/38/976286538.db2.gz GFPDXZVVWTVNEH-DEOSSOPVSA-N 0 3 407.558 3.718 20 30 HHEDHN N#Cc1ccc(CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000429036069 976319244 /nfs/dbraw/zinc/31/92/44/976319244.db2.gz QMJDTUDGQYZDHU-DEOSSOPVSA-N 0 3 418.541 3.523 20 30 HHEDHN CS(=O)(=O)c1ccc(NC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000429879631 977155225 /nfs/dbraw/zinc/15/52/25/977155225.db2.gz ZOXOEVUBBWECPW-ZDUSSCGKSA-N 0 3 405.888 3.599 20 30 HHEDHN COc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc(NC(C)=O)c1OC ZINC000430627143 977659831 /nfs/dbraw/zinc/65/98/31/977659831.db2.gz SWGRODRUSQAYOO-CYBMUJFWSA-N 0 3 401.488 3.906 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C[C@H](C)O1 ZINC000430693125 977698747 /nfs/dbraw/zinc/69/87/47/977698747.db2.gz ZMSBGRSHOXFJFS-HDICACEKSA-N 0 3 401.576 3.654 20 30 HHEDHN C=CCN1C(=O)N(C[C@H](c2ccccc2)N2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430949317 977908554 /nfs/dbraw/zinc/90/85/54/977908554.db2.gz CCOIEPRHZIQKKN-DHIUTWEWSA-N 0 3 403.526 3.885 20 30 HHEDHN C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN[C@@H](CCCC#N)c3ccccc3)CC2)C1 ZINC000433016810 979042996 /nfs/dbraw/zinc/04/29/96/979042996.db2.gz UTLXIVKVZYLVCJ-REWPJTCUSA-N 0 3 424.589 3.508 20 30 HHEDHN N#Cc1ccc([C@H](NCC2(c3cccc(Br)c3)CCCC2)C(N)=O)cc1 ZINC000433451865 979312657 /nfs/dbraw/zinc/31/26/57/979312657.db2.gz DOIYMIOOLHCJJQ-IBGZPJMESA-N 0 3 412.331 3.949 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000434504941 980217299 /nfs/dbraw/zinc/21/72/99/980217299.db2.gz XAHZHEVPUUJXHA-HSZRJFAPSA-N 0 3 419.573 3.548 20 30 HHEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1nc2c(s1)CCCCCC2)C(C)C ZINC000434726373 980360861 /nfs/dbraw/zinc/36/08/61/980360861.db2.gz AYLOVDAKCKJGLA-GOSISDBHSA-N 0 3 418.607 3.555 20 30 HHEDHN N#CCCn1cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000434985691 980551062 /nfs/dbraw/zinc/55/10/62/980551062.db2.gz JZIFNOSGGDQSHN-UHFFFAOYSA-N 0 3 419.504 3.567 20 30 HHEDHN CCN1CCN(c2ccccc2NCc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435130847 980662421 /nfs/dbraw/zinc/66/24/21/980662421.db2.gz VUZYWFSPLWIILU-UHFFFAOYSA-N 0 3 415.545 3.613 20 30 HHEDHN CC(C)Oc1ccc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1C#N ZINC000435539016 980929066 /nfs/dbraw/zinc/92/90/66/980929066.db2.gz CGYRTUWTLNOBMP-QZTJIDSGSA-N 0 3 414.550 3.699 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436293346 981286588 /nfs/dbraw/zinc/28/65/88/981286588.db2.gz CVYJJLNULATJRC-COPCDDAFSA-N 0 3 403.519 3.889 20 30 HHEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000448328166 981702078 /nfs/dbraw/zinc/70/20/78/981702078.db2.gz PEDSNUMVRKIMJT-OAQYLSRUSA-N 0 3 420.513 3.526 20 30 HHEDHN CCn1c(Cc2ccccc2F)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460217484 981993248 /nfs/dbraw/zinc/99/32/48/981993248.db2.gz AHLIFFRYKFNSBP-UHFFFAOYSA-N 0 3 418.520 3.612 20 30 HHEDHN C=C(C)[C@H](NC(=O)N(CCC)CCN1CCN(CC)CC1)c1ccc(F)c(F)c1 ZINC000460880734 982620152 /nfs/dbraw/zinc/62/01/52/982620152.db2.gz KQCYNXIRAVOMEW-NRFANRHFSA-N 0 3 408.537 3.641 20 30 HHEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000438445595 982797123 /nfs/dbraw/zinc/79/71/23/982797123.db2.gz QFYBQSOBFAIFMT-PKOBYXMFSA-N 0 3 413.484 3.760 20 30 HHEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CC1 ZINC000461110453 982799432 /nfs/dbraw/zinc/79/94/32/982799432.db2.gz VZABNOYMOFGJPW-UHFFFAOYSA-N 0 3 407.301 3.956 20 30 HHEDHN CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000438661517 982979235 /nfs/dbraw/zinc/97/92/35/982979235.db2.gz SIPBNLOLYSFKLU-APWZRJJASA-N 0 3 424.932 3.834 20 30 HHEDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438661055 982979274 /nfs/dbraw/zinc/97/92/74/982979274.db2.gz MOWUONHQNMXKCR-SFHVURJKSA-N 0 3 412.465 3.722 20 30 HHEDHN CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438661792 982979806 /nfs/dbraw/zinc/97/98/06/982979806.db2.gz AQRIZXGVRNWLII-LPHOPBHVSA-N 0 3 424.932 3.834 20 30 HHEDHN COCCN(CCN(C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438674398 982992592 /nfs/dbraw/zinc/99/25/92/982992592.db2.gz XEJWIKMFEKBGGM-UHFFFAOYSA-N 0 3 400.454 3.532 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000439055277 983230473 /nfs/dbraw/zinc/23/04/73/983230473.db2.gz CYYQCYXUHZWQMI-UHFFFAOYSA-N 0 3 405.420 3.590 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000439077254 983239760 /nfs/dbraw/zinc/23/97/60/983239760.db2.gz IGZDOAAJPNLWNU-UHFFFAOYSA-N 0 3 405.420 3.590 20 30 HHEDHN C[C@@H](NCc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1cccc(C#N)c1 ZINC000439597243 983465658 /nfs/dbraw/zinc/46/56/58/983465658.db2.gz NNNAZZVMPNAIGV-GOSISDBHSA-N 0 3 402.498 3.900 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CC(C)(C)O[C@@H]3CCC[C@H]32)c1C#N ZINC000440942874 983991491 /nfs/dbraw/zinc/99/14/91/983991491.db2.gz OYLUCUFREJFAJI-NHCUHLMSSA-N 0 3 424.545 3.978 20 30 HHEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000441238109 984132070 /nfs/dbraw/zinc/13/20/70/984132070.db2.gz XYLZOOCTECPZCZ-UNMCSNQZSA-N 0 3 406.530 3.713 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)CC1 ZINC000442282957 984789516 /nfs/dbraw/zinc/78/95/16/984789516.db2.gz DQDRVSXPBIVUPO-LJQANCHMSA-N 0 3 421.541 3.840 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)CC1 ZINC000442302005 984799175 /nfs/dbraw/zinc/79/91/75/984799175.db2.gz UYCGHHVMNNPQEV-SFHVURJKSA-N 0 3 407.514 3.532 20 30 HHEDHN C[C@@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 ZINC000462129643 985100588 /nfs/dbraw/zinc/10/05/88/985100588.db2.gz KZWQXSKDUUMHPF-QGZVFWFLSA-N 0 3 411.933 3.975 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)CC1 ZINC000468083634 985741023 /nfs/dbraw/zinc/74/10/23/985741023.db2.gz ZBKQNUTWAAXXCT-SFHVURJKSA-N 0 3 410.587 3.865 20 30 HHEDHN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000463121663 986086085 /nfs/dbraw/zinc/08/60/85/986086085.db2.gz DZLUALBMKFVFHG-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN N#CCCN(C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)c1cccc(Cl)c1 ZINC000463214345 986186416 /nfs/dbraw/zinc/18/64/16/986186416.db2.gz PKUFGKRJOVQGSO-PWRODBHTSA-N 0 3 403.954 3.992 20 30 HHEDHN COc1ccc(-c2ncc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)s2)cc1 ZINC000463490306 986465510 /nfs/dbraw/zinc/46/55/10/986465510.db2.gz LVRXNCZBTYKZNF-UHFFFAOYSA-N 0 3 420.538 3.894 20 30 HHEDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000469088976 986801656 /nfs/dbraw/zinc/80/16/56/986801656.db2.gz UCQZQOKRBJIFME-LJQANCHMSA-N 0 3 422.598 3.713 20 30 HHEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000469584281 987249901 /nfs/dbraw/zinc/24/99/01/987249901.db2.gz FBNXCIBCKFWGQQ-QGZVFWFLSA-N 0 3 411.525 3.811 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000445801455 987862408 /nfs/dbraw/zinc/86/24/08/987862408.db2.gz GCFKJWGRNZFVHH-UHFFFAOYSA-N 0 3 404.539 3.810 20 30 HHEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCCCN2C2CC2)cc1C ZINC000470165147 988078548 /nfs/dbraw/zinc/07/85/48/988078548.db2.gz FJEHPCGBCSESOY-OAQYLSRUSA-N 0 3 405.546 3.827 20 30 HHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2c(CC)nc3ccc(Cl)cn32)n1 ZINC000464195193 988315183 /nfs/dbraw/zinc/31/51/83/988315183.db2.gz WFOKKCOICJYFRO-LLVKDONJSA-N 0 3 402.863 3.673 20 30 HHEDHN CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 ZINC000470555392 988569721 /nfs/dbraw/zinc/56/97/21/988569721.db2.gz HSSBOWWGYPOISY-JOCHJYFZSA-N 0 3 419.529 3.694 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000470941958 989009286 /nfs/dbraw/zinc/00/92/86/989009286.db2.gz ZVSZDUZOXAOXQU-UHFFFAOYSA-N 0 3 417.485 3.648 20 30 HHEDHN Cc1ccc([C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)c(C)c1 ZINC000471012619 989081914 /nfs/dbraw/zinc/08/19/14/989081914.db2.gz RJEISHRDROYLMO-IFMALSPDSA-N 0 3 422.598 3.563 20 30 HHEDHN C[C@@H]1CCN(CC(=O)Nc2ccccc2SCC#N)CCN1Cc1ccccc1 ZINC000464842548 989089236 /nfs/dbraw/zinc/08/92/36/989089236.db2.gz IUMLNZCUXLUOSW-LJQANCHMSA-N 0 3 408.571 3.837 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000466146028 991328906 /nfs/dbraw/zinc/32/89/06/991328906.db2.gz ZXPSWAZYUYEGCI-SFHVURJKSA-N 0 3 421.545 3.664 20 30 HHEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000466520966 991813495 /nfs/dbraw/zinc/81/34/95/991813495.db2.gz VJWRETUTPCBJQP-KNQAVFIVSA-N 0 3 418.541 3.774 20 30 HHEDHN N#Cc1cccc(CCNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000466608046 991924941 /nfs/dbraw/zinc/92/49/41/991924941.db2.gz HAMVEGUUUFOGEY-OAQYLSRUSA-N 0 3 401.432 3.672 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN([C@@H](C)CO)C2CCCC2)c1C#N ZINC000472611236 993560800 /nfs/dbraw/zinc/56/08/00/993560800.db2.gz KAVSHLBYXMOEER-HNNXBMFYSA-N 0 3 412.509 3.669 20 30 HHEDHN CC1CCN(Cc2ccccc2CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000480779815 993647363 /nfs/dbraw/zinc/64/73/63/993647363.db2.gz LSKSKNKJAQLIHP-UHFFFAOYSA-N 0 3 415.534 3.549 20 30 HHEDHN Cn1cc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000473069339 993989374 /nfs/dbraw/zinc/98/93/74/993989374.db2.gz ISTFGUFMFLAZOR-UHFFFAOYSA-N 0 3 404.489 3.667 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1nccc2ccccc21 ZINC000481466744 994301449 /nfs/dbraw/zinc/30/14/49/994301449.db2.gz NOGCHHAIQBEVTH-UHFFFAOYSA-N 0 3 404.539 3.789 20 30 HHEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473535590 994395673 /nfs/dbraw/zinc/39/56/73/994395673.db2.gz SUTRSWMXLMRFGE-AFMYVXGZSA-N 0 3 423.479 3.883 20 30 HHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000481664995 994525623 /nfs/dbraw/zinc/52/56/23/994525623.db2.gz ZGIPECHDLJQEFT-QHCPKHFHSA-N 0 3 409.555 3.900 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000473962019 994942177 /nfs/dbraw/zinc/94/21/77/994942177.db2.gz YSXABBVYOMWYAK-UHFFFAOYSA-N 0 3 410.493 3.528 20 30 HHEDHN C=C(C)[C@H](NC(=O)N1CCN(c2ccncc2OC)CC1)c1ccc(F)c(F)c1 ZINC000474653596 995598167 /nfs/dbraw/zinc/59/81/67/995598167.db2.gz SWOTWKMSFRCWTR-FQEVSTJZSA-N 0 3 402.445 3.517 20 30 HHEDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000474801615 995715825 /nfs/dbraw/zinc/71/58/25/995715825.db2.gz RRKYIKPIERUEQL-UHFFFAOYSA-N 0 3 422.598 3.855 20 30 HHEDHN CN(C(=O)NCCSCc1ccccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475014314 995870690 /nfs/dbraw/zinc/87/06/90/995870690.db2.gz JXSGDZNKGABVRZ-QFIPXVFZSA-N 0 3 408.571 3.707 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCC(F)F ZINC000475025907 995878958 /nfs/dbraw/zinc/87/89/58/995878958.db2.gz VUPSIDJYDNALGT-UHFFFAOYSA-N 0 3 402.445 3.798 20 30 HHEDHN COc1cnccc1N1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000475624057 996256839 /nfs/dbraw/zinc/25/68/39/996256839.db2.gz LUTZRKQXQNGPBH-UHFFFAOYSA-N 0 3 414.509 3.863 20 30 HHEDHN C=CCN(CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)CC1CCCCC1 ZINC000484692429 997031812 /nfs/dbraw/zinc/03/18/12/997031812.db2.gz XMBIXCPYRFLDFO-UHFFFAOYSA-N 0 3 403.611 3.696 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(Br)cn1 ZINC000484992793 997355083 /nfs/dbraw/zinc/35/50/83/997355083.db2.gz ZBHNQAUJKFPCQZ-UHFFFAOYSA-N 0 3 422.396 3.942 20 30 HHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000486241879 998670259 /nfs/dbraw/zinc/67/02/59/998670259.db2.gz MTOPVLSQYUGXFC-GOSISDBHSA-N 0 3 400.592 3.827 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000478273027 998856885 /nfs/dbraw/zinc/85/68/85/998856885.db2.gz MIVONEUSJVEYII-QZTJIDSGSA-N 0 3 424.570 3.656 20 30 HHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486822274 998956368 /nfs/dbraw/zinc/95/63/68/998956368.db2.gz JLKBNIUAKIVFFM-MFSJNOQSSA-N 0 3 408.546 3.903 20 30 HHEDHN Clc1ccc(C#CCN2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)cc1 ZINC000486833021 998962487 /nfs/dbraw/zinc/96/24/87/998962487.db2.gz JCBHJJTYPXMODO-VGOFRKELSA-N 0 3 405.889 3.585 20 30 HHEDHN C[C@H]1CN(CCCCNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)O1 ZINC000478865376 999182834 /nfs/dbraw/zinc/18/28/34/999182834.db2.gz BVCSHDXFJWXONF-OALUTQOASA-N 0 3 407.514 3.970 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](O)Cc1cccc(Cl)c1 ZINC000488087499 999371941 /nfs/dbraw/zinc/37/19/41/999371941.db2.gz LYYOUNIWQFAYLL-LJQANCHMSA-N 0 3 421.010 3.842 20 30 HHEDHN CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488503741 999510109 /nfs/dbraw/zinc/51/01/09/999510109.db2.gz VCOJFBOHFTUNQI-WZONZLPQSA-N 0 3 418.541 3.789 20 30 HHEDHN C=CC[C@H](C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000488687850 999572862 /nfs/dbraw/zinc/57/28/62/999572862.db2.gz GOKWLHIGTIHOPC-UPVQGACJSA-N 0 3 418.585 3.802 20 30 HHEDHN CCN1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000479941086 999656385 /nfs/dbraw/zinc/65/63/85/999656385.db2.gz NMXNMWLWYFJUNY-UHFFFAOYSA-N 0 3 406.530 3.805 20 30 HHEDHN Cn1cc(CN[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000480075703 999710307 /nfs/dbraw/zinc/71/03/07/999710307.db2.gz VSKRNYHSGMEVPH-GOSISDBHSA-N 0 3 405.889 3.507 20 30 HHEDHN N#Cc1c(C#N)c2c(nc1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)CCCCCC2 ZINC000480084657 999712895 /nfs/dbraw/zinc/71/28/95/999712895.db2.gz KCYHSGWFWZEIJQ-VQTJNVASSA-N 0 3 415.541 3.531 20 30 HHEDHN CC1CCN([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c2ccccc2)CC1 ZINC000490355425 999943556 /nfs/dbraw/zinc/94/35/56/999943556.db2.gz SCUHDIAYJCURTE-OAQYLSRUSA-N 0 3 424.932 3.740 20 30 HHEDHN Cc1cc(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)nn1-c1cccc(C#N)c1 ZINC000490535043 999974085 /nfs/dbraw/zinc/97/40/85/999974085.db2.gz NVUSARMFPPNRSH-VWLOTQADSA-N 0 3 413.525 3.837 20 30 HHEDHN Cn1cc(CNc2ccccc2CN2CCC(O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490584153 999980280 /nfs/dbraw/zinc/98/02/80/999980280.db2.gz CWCVCTSKBXRONF-UHFFFAOYSA-N 0 3 401.514 3.528 20 30 HHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000491571082 1000084442 /nfs/dbraw/zinc/08/44/42/1000084442.db2.gz ZUUYWXAMFNBVSJ-PZJWPPBQSA-N 0 3 419.550 3.694 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000504672818 1000319643 /nfs/dbraw/zinc/31/96/43/1000319643.db2.gz FHOGLLFIVXJSSQ-UHFFFAOYSA-N 0 3 400.350 3.538 20 30 HHEDHN CC(C)(CNC(=O)NCCSCc1ccccc1C#N)N1CCc2ccccc2C1 ZINC000504779937 1000366755 /nfs/dbraw/zinc/36/67/55/1000366755.db2.gz WKPOWWADRPROIK-UHFFFAOYSA-N 0 3 422.598 3.928 20 30 HHEDHN N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC2)cc1 ZINC000505131440 1000567173 /nfs/dbraw/zinc/56/71/73/1000567173.db2.gz RTZZPAASEOWGIH-OAQYLSRUSA-N 0 3 421.516 3.979 20 30 HHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000505469013 1000795498 /nfs/dbraw/zinc/79/54/98/1000795498.db2.gz YNBKBBZYADNAJE-QGZVFWFLSA-N 0 3 411.508 3.768 20 30 HHEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC000495344962 1000976164 /nfs/dbraw/zinc/97/61/64/1000976164.db2.gz HBIFJJQFVIEGTD-GOSISDBHSA-N 0 3 418.419 3.548 20 30 HHEDHN N#C[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccccc1F ZINC000505934472 1001111462 /nfs/dbraw/zinc/11/14/62/1001111462.db2.gz ZXXJKDFSMZPSEZ-ICSRJNTNSA-N 0 3 405.395 3.961 20 30 HHEDHN Cc1cc(NC(=O)c2cc(C#N)cc(N(C)C)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000506324202 1001354723 /nfs/dbraw/zinc/35/47/23/1001354723.db2.gz CGASIXFLOGSJCO-UHFFFAOYSA-N 0 3 405.546 3.715 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507341702 1002010710 /nfs/dbraw/zinc/01/07/10/1002010710.db2.gz QAGURQDGWMDXGX-DENIHFKCSA-N 0 3 418.541 3.947 20 30 HHEDHN Cn1ccnc1COc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507833982 1002375769 /nfs/dbraw/zinc/37/57/69/1002375769.db2.gz NNDWUIWLWGFIET-UHFFFAOYSA-N 0 3 402.498 3.914 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000499053661 1002435562 /nfs/dbraw/zinc/43/55/62/1002435562.db2.gz IYLKURHGLZGTRO-UHFFFAOYSA-N 0 3 422.476 3.655 20 30 HHEDHN COc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1OCCCC#N ZINC000507987376 1002516250 /nfs/dbraw/zinc/51/62/50/1002516250.db2.gz YAJIPOKQLYGGNH-FQEVSTJZSA-N 0 3 422.529 3.932 20 30 HHEDHN C=CCOc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1 ZINC000508450262 1002935714 /nfs/dbraw/zinc/93/57/14/1002935714.db2.gz YTZNBHNBMMXNDS-UHFFFAOYSA-N 0 3 403.473 3.803 20 30 HHEDHN C=CCn1c(-c2ccccc2Br)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508480714 1002965083 /nfs/dbraw/zinc/96/50/83/1002965083.db2.gz JLPSBAWFVFFVMB-KRWDZBQOSA-N 0 3 404.356 3.670 20 30 HHEDHN CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000499733190 1003079241 /nfs/dbraw/zinc/07/92/41/1003079241.db2.gz RSJWZHVYJBUJHP-GOSISDBHSA-N 0 3 402.420 3.709 20 30 HHEDHN CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000499733191 1003079652 /nfs/dbraw/zinc/07/96/52/1003079652.db2.gz RSJWZHVYJBUJHP-SFHVURJKSA-N 0 3 402.420 3.709 20 30 HHEDHN C=CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000508814993 1003240104 /nfs/dbraw/zinc/24/01/04/1003240104.db2.gz XCMBYQAKEASJOF-UHFFFAOYSA-N 0 3 424.552 3.925 20 30 HHEDHN C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508842434 1003263074 /nfs/dbraw/zinc/26/30/74/1003263074.db2.gz BLZANNBZAWUSIA-FDDCHVKYSA-N 0 3 406.530 3.802 20 30 HHEDHN C=CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000508885203 1003308680 /nfs/dbraw/zinc/30/86/80/1003308680.db2.gz NJVNZWKNBRAQOA-QFIPXVFZSA-N 0 3 402.546 3.551 20 30 HHEDHN COc1ccc(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1OCCCC#N ZINC000512610116 1004424004 /nfs/dbraw/zinc/42/40/04/1004424004.db2.gz WEQOZVGKEGWTFH-GOSISDBHSA-N 0 3 401.551 3.750 20 30 HHEDHN COc1ccc(-c2n[nH]cc2CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000512623404 1004437440 /nfs/dbraw/zinc/43/74/40/1004437440.db2.gz SANBCSWGAILZFT-UHFFFAOYSA-N 0 3 415.497 3.808 20 30 HHEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000512950557 1004720677 /nfs/dbraw/zinc/72/06/77/1004720677.db2.gz CLJGRDBCQPORDN-MRXNPFEDSA-N 0 3 402.435 3.714 20 30 HHEDHN C=CCOc1cccc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000510684293 1004797333 /nfs/dbraw/zinc/79/73/33/1004797333.db2.gz RWECEBQEKUUBLM-UHFFFAOYSA-N 0 3 408.546 3.975 20 30 HHEDHN C=CCOc1cccc(NC(=O)NCc2ccccc2CN2CCN(CC)CC2)c1 ZINC000510753068 1004833134 /nfs/dbraw/zinc/83/31/34/1004833134.db2.gz PREJSTQUTJQMEM-UHFFFAOYSA-N 0 3 408.546 3.711 20 30 HHEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000501992643 1004850576 /nfs/dbraw/zinc/85/05/76/1004850576.db2.gz YQKZNXWBPFYIDA-INIZCTEOSA-N 0 3 419.447 3.935 20 30 HHEDHN COc1cc(C)c([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000502282242 1004991924 /nfs/dbraw/zinc/99/19/24/1004991924.db2.gz MQVGQKGLMHHEKB-SFHVURJKSA-N 0 3 424.545 3.718 20 30 HHEDHN N#Cc1cccc(OCCN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000502337319 1005019878 /nfs/dbraw/zinc/01/98/78/1005019878.db2.gz AKYZWQKTKCGYMH-LJQANCHMSA-N 0 3 407.518 3.668 20 30 HHEDHN C=CCN(Cc1ccccc1)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000502403331 1005059516 /nfs/dbraw/zinc/05/95/16/1005059516.db2.gz OUPKWELBONDWPM-UHFFFAOYSA-N 0 3 406.574 3.592 20 30 HHEDHN CCN1CCN(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 ZINC000511608589 1005243086 /nfs/dbraw/zinc/24/30/86/1005243086.db2.gz FLROAFQCYQMCJG-UHFFFAOYSA-N 0 3 412.921 3.970 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(F)cc1Cl ZINC000503665322 1005476594 /nfs/dbraw/zinc/47/65/94/1005476594.db2.gz ZVYRJNTYFPOBBG-UHFFFAOYSA-N 0 3 402.901 3.667 20 30 HHEDHN Cc1cccc2[nH]cc(CCNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c21 ZINC000503778000 1005492227 /nfs/dbraw/zinc/49/22/27/1005492227.db2.gz NOGPUJGJJFEZMC-UHFFFAOYSA-N 0 3 403.530 3.664 20 30 HHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc(OCc4ccncc4)cc3)C2=O)cc1 ZINC000503926547 1005513593 /nfs/dbraw/zinc/51/35/93/1005513593.db2.gz JRDOADODBIBYQX-XMMPIXPASA-N 0 3 412.493 3.817 20 30 HHEDHN CCOCCCNC(=O)c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000514748341 1006101346 /nfs/dbraw/zinc/10/13/46/1006101346.db2.gz PVHNRMQMYMOZLZ-UHFFFAOYSA-N 0 3 420.557 3.791 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nccn1CC(F)(F)F ZINC000531408560 1006177972 /nfs/dbraw/zinc/17/79/72/1006177972.db2.gz RQNIFUUPEAJHPC-UHFFFAOYSA-N 0 3 414.501 3.544 20 30 HHEDHN N#CC(C(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1nc(-c2ccccc2)cs1 ZINC000515542305 1006525261 /nfs/dbraw/zinc/52/52/61/1006525261.db2.gz JONPQZFIFPIWNE-SFHVURJKSA-N 0 3 423.519 3.840 20 30 HHEDHN CN1CC[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000534681364 1006659053 /nfs/dbraw/zinc/65/90/53/1006659053.db2.gz VUCOSGMTOILKNV-DHIUTWEWSA-N 0 3 404.514 3.556 20 30 HHEDHN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538390801 1006660271 /nfs/dbraw/zinc/66/02/71/1006660271.db2.gz ZEGOGIXXVNGRAR-QMHKHESXSA-N 0 3 423.488 3.973 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000515774709 1006663600 /nfs/dbraw/zinc/66/36/00/1006663600.db2.gz GZSJVYZWWLDILY-NRFANRHFSA-N 0 3 407.514 3.679 20 30 HHEDHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)CC1 ZINC000532351347 1006812176 /nfs/dbraw/zinc/81/21/76/1006812176.db2.gz MFWMBUKHUDUBCM-OALUTQOASA-N 0 3 415.607 3.713 20 30 HHEDHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)C2)CC1 ZINC000532351442 1006812560 /nfs/dbraw/zinc/81/25/60/1006812560.db2.gz YLGAQJWAOORJFP-VWLOTQADSA-N 0 3 416.569 3.719 20 30 HHEDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000538719370 1006993524 /nfs/dbraw/zinc/99/35/24/1006993524.db2.gz FYXALILGYQYADM-RPWUZVMVSA-N 0 3 406.526 3.889 20 30 HHEDHN C=CCN1CCC(NC(=O)NCCc2ccc(Oc3ccc(OC)cc3)cc2)CC1 ZINC000535104286 1007125538 /nfs/dbraw/zinc/12/55/38/1007125538.db2.gz DCSDHNRPFVAQDC-UHFFFAOYSA-N 0 3 409.530 3.980 20 30 HHEDHN CCN(CCC#N)C(=O)CN(Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@H]1C ZINC000538956202 1007244476 /nfs/dbraw/zinc/24/44/76/1007244476.db2.gz OWRZUEGGVSDGGP-QUCCMNQESA-N 0 3 401.551 3.847 20 30 HHEDHN CN(CCC(=O)Nc1sccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000532927026 1007299560 /nfs/dbraw/zinc/29/95/60/1007299560.db2.gz GSSRYKDCUVFYIM-NVXWUHKLSA-N 0 3 410.326 3.845 20 30 HHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000516809612 1007303058 /nfs/dbraw/zinc/30/30/58/1007303058.db2.gz YJNXYEOHWDNXNB-MRXNPFEDSA-N 0 3 406.465 3.525 20 30 HHEDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CSc1ccc(C#N)cc1 ZINC000535275702 1007327253 /nfs/dbraw/zinc/32/72/53/1007327253.db2.gz HVAWQFPZSNLSCS-FQEVSTJZSA-N 0 3 409.555 3.869 20 30 HHEDHN C=C[C@H](CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000535356383 1007414153 /nfs/dbraw/zinc/41/41/53/1007414153.db2.gz VKVKROYDPCBXIE-XZOQPEGZSA-N 0 3 418.585 3.802 20 30 HHEDHN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000539214722 1007505819 /nfs/dbraw/zinc/50/58/19/1007505819.db2.gz WHKBCWRKASKGKM-KRWDZBQOSA-N 0 3 405.523 3.984 20 30 HHEDHN COc1ccc(C[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2)cc1OC ZINC000539258901 1007553466 /nfs/dbraw/zinc/55/34/66/1007553466.db2.gz JBSPZJRDVGBKRM-RDPSFJRHSA-N 0 3 409.530 3.632 20 30 HHEDHN C=CCN1CCC(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)CC1 ZINC000517310330 1007556310 /nfs/dbraw/zinc/55/63/10/1007556310.db2.gz WLVFJPYTZLNGDZ-UHFFFAOYSA-N 0 3 404.514 3.602 20 30 HHEDHN COC1CCC(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 ZINC000533299214 1007615788 /nfs/dbraw/zinc/61/57/88/1007615788.db2.gz MGWQQYMRYGBURA-UHFFFAOYSA-N 0 3 412.509 3.933 20 30 HHEDHN Cc1ccccc1[C@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000539363563 1007666725 /nfs/dbraw/zinc/66/67/25/1007666725.db2.gz OEMDVCDHHCHPGW-RTWAWAEBSA-N 0 3 408.571 3.603 20 30 HHEDHN CN1CCCN(c2ccc(-c3noc(-c4ccc(C(C)(C)C#N)cc4)n3)cn2)CC1 ZINC000517779743 1007962675 /nfs/dbraw/zinc/96/26/75/1007962675.db2.gz CNUMLRXHUIARDD-UHFFFAOYSA-N 0 3 402.502 3.742 20 30 HHEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4cncn4)cc3)n2)cc1 ZINC000517800737 1007978983 /nfs/dbraw/zinc/97/89/83/1007978983.db2.gz FPBKJGHXFZOPOK-SFHVURJKSA-N 0 3 401.451 3.889 20 30 HHEDHN Cc1cccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1Br ZINC000533852590 1008157962 /nfs/dbraw/zinc/15/79/62/1008157962.db2.gz IECPYHDXDDJXDI-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000518751262 1008414029 /nfs/dbraw/zinc/41/40/29/1008414029.db2.gz MIXHVWXYFLCBQR-MSOLQXFVSA-N 0 3 420.513 3.526 20 30 HHEDHN C=CCC[C@@H](NCC(=O)NC(=O)NCc1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000540428872 1008429598 /nfs/dbraw/zinc/42/95/98/1008429598.db2.gz ATXBNMCQXNFVNH-QGZVFWFLSA-N 0 3 409.408 3.921 20 30 HHEDHN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000540458312 1008440072 /nfs/dbraw/zinc/44/00/72/1008440072.db2.gz NVKXGPDCFVNNTJ-NOZRDPDXSA-N 0 3 405.542 3.994 20 30 HHEDHN CCN1CC[C@@H](NCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549116360 1008683031 /nfs/dbraw/zinc/68/30/31/1008683031.db2.gz NBLWHSWXWQMPTJ-CTNGQTDRSA-N 0 3 400.885 3.714 20 30 HHEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549260251 1008830639 /nfs/dbraw/zinc/83/06/39/1008830639.db2.gz AXRZCESOVWSXCX-WOJBJXKFSA-N 0 3 424.593 3.632 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000543352466 1008939348 /nfs/dbraw/zinc/93/93/48/1008939348.db2.gz SSZAWJHOEHYXDH-SFHVURJKSA-N 0 3 414.531 3.604 20 30 HHEDHN COc1cccc([C@H]2[C@@H](NCC(=O)N(CCC#N)c3ccccc3)CCN2C2CC2)c1 ZINC000549468178 1009061446 /nfs/dbraw/zinc/06/14/46/1009061446.db2.gz IMRZAXQBJRTNGM-ZCYQVOJMSA-N 0 3 418.541 3.509 20 30 HHEDHN COc1cccc([C@@H]2[C@H](NCC(=O)Nc3ccc(C#N)c(Cl)c3)CCN2C2CC2)c1 ZINC000549476301 1009072973 /nfs/dbraw/zinc/07/29/73/1009072973.db2.gz MJMRVEBLBSPECR-FYYLOGMGSA-N 0 3 424.932 3.726 20 30 HHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549476747 1009074485 /nfs/dbraw/zinc/07/44/85/1009074485.db2.gz HDQKDWHKLZMMEK-QFIXIFRTSA-N 0 3 422.976 3.991 20 30 HHEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000520004709 1009159301 /nfs/dbraw/zinc/15/93/01/1009159301.db2.gz YJUYWLUVTUSWGE-MSOLQXFVSA-N 0 3 420.513 3.526 20 30 HHEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCc2ccccc2)CC1 ZINC000549705674 1009335980 /nfs/dbraw/zinc/33/59/80/1009335980.db2.gz LMYCNNCPQFAVDS-UHFFFAOYSA-N 0 3 412.541 3.758 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000546752886 1009720468 /nfs/dbraw/zinc/72/04/68/1009720468.db2.gz GNCJVXHENDAZDS-PKTZIBPZSA-N 0 3 424.520 3.691 20 30 HHEDHN Cc1cc(C)cc([C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)c1 ZINC000544188963 1009791395 /nfs/dbraw/zinc/79/13/95/1009791395.db2.gz JVZCYCLDHIWBGW-IFMALSPDSA-N 0 3 422.598 3.563 20 30 HHEDHN CS[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H]1N(C)C ZINC000546851803 1009813045 /nfs/dbraw/zinc/81/30/45/1009813045.db2.gz RSWMXLJUOTYVNU-PXNSSMCTSA-N 0 3 414.506 3.999 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CC1 ZINC000520986748 1010027251 /nfs/dbraw/zinc/02/72/51/1010027251.db2.gz DDMKDDXBFKAVRX-UHFFFAOYSA-N 0 3 413.909 3.759 20 30 HHEDHN C[C@@](O)(C1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)C(F)(F)F ZINC000547345005 1010262995 /nfs/dbraw/zinc/26/29/95/1010262995.db2.gz GVXWKGBJJBNGNA-QGZVFWFLSA-N 0 3 403.832 3.566 20 30 HHEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCN(C)Cc2ccccc2)cc1C ZINC000521309108 1010294974 /nfs/dbraw/zinc/29/49/74/1010294974.db2.gz QJSKAWFWXHDZQA-UHFFFAOYSA-N 0 3 415.541 3.942 20 30 HHEDHN COc1cc(C#N)ccc1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000547417927 1010296091 /nfs/dbraw/zinc/29/60/91/1010296091.db2.gz VHWQXSMBPDKAPN-FQEVSTJZSA-N 0 3 403.404 3.960 20 30 HHEDHN N#CC(C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccncn1 ZINC000544816155 1010408957 /nfs/dbraw/zinc/40/89/57/1010408957.db2.gz ZRADHEQKFOEHON-QGZVFWFLSA-N 0 3 421.254 3.981 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000521600240 1010497228 /nfs/dbraw/zinc/49/72/28/1010497228.db2.gz HICVQSFOTOWNCL-JOCHJYFZSA-N 0 3 423.557 3.937 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CC1 ZINC000521655457 1010528031 /nfs/dbraw/zinc/52/80/31/1010528031.db2.gz FVGDFPUPOXXELU-UHFFFAOYSA-N 0 3 410.493 3.779 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000521847290 1010656922 /nfs/dbraw/zinc/65/69/22/1010656922.db2.gz LLHZUGSCHNUBRV-JOCHJYFZSA-N 0 3 402.494 3.995 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1Br ZINC000521890746 1010689557 /nfs/dbraw/zinc/68/95/57/1010689557.db2.gz LFBLVNBGKPEZJR-UHFFFAOYSA-N 0 3 415.335 3.594 20 30 HHEDHN CC(C)(C)[C@H](COc1ccccc1F)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000540592862 1011249867 /nfs/dbraw/zinc/24/98/67/1011249867.db2.gz RXRNUEOUKKMXAE-FQEVSTJZSA-N 0 3 404.507 3.554 20 30 HHEDHN N#CCC1CCN(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000541024374 1011659139 /nfs/dbraw/zinc/65/91/39/1011659139.db2.gz XDFZFGSGEQCJKY-UHFFFAOYSA-N 0 3 416.569 3.546 20 30 HHEDHN N#Cc1cc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)ccc1OCC(F)(F)F ZINC000523337344 1011812794 /nfs/dbraw/zinc/81/27/94/1011812794.db2.gz VGFDGLSUSQDGPC-MRXNPFEDSA-N 0 3 418.419 3.745 20 30 HHEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000552145605 1012167032 /nfs/dbraw/zinc/16/70/32/1012167032.db2.gz VYXBOISMHUQQOY-UZLBHIALSA-N 0 3 409.313 3.512 20 30 HHEDHN N#CC1(c2ccccn2)CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000552211012 1012223746 /nfs/dbraw/zinc/22/37/46/1012223746.db2.gz FRLGDXMRLJGUIZ-HXUWFJFHSA-N 0 3 424.495 3.623 20 30 HHEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000523666845 1012261749 /nfs/dbraw/zinc/26/17/49/1012261749.db2.gz BXSUKENREPQLGR-JOCHJYFZSA-N 0 3 418.541 3.747 20 30 HHEDHN CC(C)[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000537173076 1012578865 /nfs/dbraw/zinc/57/88/65/1012578865.db2.gz ZWGKAQHTJJVDQB-VWNXMTODSA-N 0 3 408.521 3.521 20 30 HHEDHN N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](c3cccs3)N3CCCC3)C2)c(F)c1 ZINC000552707793 1012718955 /nfs/dbraw/zinc/71/89/55/1012718955.db2.gz RZLFQRHSIIIGLZ-PXNSSMCTSA-N 0 3 412.534 3.538 20 30 HHEDHN CC(C)C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537287648 1012743867 /nfs/dbraw/zinc/74/38/67/1012743867.db2.gz GMJMHYCOEXUKPY-LEWJYISDSA-N 0 3 410.587 3.834 20 30 HHEDHN N#Cc1ccc(CCC(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000524055404 1012810457 /nfs/dbraw/zinc/81/04/57/1012810457.db2.gz PAWSZISOQNNMRC-UHFFFAOYSA-N 0 3 411.933 3.804 20 30 HHEDHN COc1ccc(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1-n1cnnn1 ZINC000541950054 1012812658 /nfs/dbraw/zinc/81/26/58/1012812658.db2.gz KXLRSSWKMZCWNE-MRXNPFEDSA-N 0 3 416.466 3.593 20 30 HHEDHN C[C@H]1CCCN(CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552814776 1012822923 /nfs/dbraw/zinc/82/29/23/1012822923.db2.gz KWJAPFUAYKLVQW-KRWDZBQOSA-N 0 3 402.970 3.666 20 30 HHEDHN CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000542029555 1012925679 /nfs/dbraw/zinc/92/56/79/1012925679.db2.gz YUVSUCIGSVMRHA-LJQANCHMSA-N 0 3 418.476 3.621 20 30 HHEDHN CN(C)CCN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C1CCCC1 ZINC000542034747 1012933848 /nfs/dbraw/zinc/93/38/48/1012933848.db2.gz IUJRNFAMGQBQTM-UHFFFAOYSA-N 0 3 400.914 3.735 20 30 HHEDHN N#Cc1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1Cl ZINC000586815451 1072434734 /nfs/dbraw/zinc/43/47/34/1072434734.db2.gz ZGYOYBRVPJTGJW-GOSISDBHSA-N 0 3 403.860 3.985 20 30 HHEDHN Cc1ccccc1CN1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000586872985 1072497678 /nfs/dbraw/zinc/49/76/78/1072497678.db2.gz CCSFGFKFVMEALJ-QFIPXVFZSA-N 0 3 420.532 3.567 20 30 HHEDHN N#Cc1ccc(N2CC[C@H](C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C2)c(F)c1 ZINC000587121350 1072512216 /nfs/dbraw/zinc/51/22/16/1072512216.db2.gz UQATYCXPJJDRFZ-JTHBVZDNSA-N 0 3 420.532 3.867 20 30 HHEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000555105806 1073158246 /nfs/dbraw/zinc/15/82/46/1073158246.db2.gz FOWFOCGLBDXACE-QFIPXVFZSA-N 0 3 409.505 3.585 20 30 HHEDHN CC(C)N1CC[C@H](NCC(=O)N(C)C2(C#N)CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000555129187 1073180399 /nfs/dbraw/zinc/18/03/99/1073180399.db2.gz KRCRYDMNBFAXIE-RBBKRZOGSA-N 0 3 418.532 3.763 20 30 HHEDHN N#CCc1ccc(OC[C@H](O)CN2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000589960603 1073403852 /nfs/dbraw/zinc/40/38/52/1073403852.db2.gz JUWDBLZIGDGNRP-HXUWFJFHSA-N 0 3 404.432 3.686 20 30 HHEDHN CCO[C@@H]1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1n1cccn1 ZINC000555648766 1073704360 /nfs/dbraw/zinc/70/43/60/1073704360.db2.gz WOEBNLSYSGLOGC-RBZQAINGSA-N 0 3 402.498 3.842 20 30 HHEDHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000590541853 1073885900 /nfs/dbraw/zinc/88/59/00/1073885900.db2.gz WJABCFQHDHSDLO-NRFANRHFSA-N 0 3 417.619 3.511 20 30 HHEDHN C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1=CCN(C)CC1 ZINC000573825838 1074651604 /nfs/dbraw/zinc/65/16/04/1074651604.db2.gz UQCZNHQMTZLZLG-INIZCTEOSA-N 0 3 400.954 3.585 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000592076665 1074687747 /nfs/dbraw/zinc/68/77/47/1074687747.db2.gz WFXVHFMLVJEBHC-UHFFFAOYSA-N 0 3 401.514 3.705 20 30 HHEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)c1cccc(OCC(F)F)n1 ZINC000760964961 1074740758 /nfs/dbraw/zinc/74/07/58/1074740758.db2.gz CNYCYNRWTQVUEU-NSHDSACASA-N 0 3 423.803 3.657 20 30 HHEDHN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H]4NCCO[C@@H]4C3)cc2c1Cl ZINC001164390121 718826921 /nfs/dbraw/zinc/82/69/21/718826921.db2.gz MULOCYTYWNJVLZ-HUUCEWRRSA-N 0 3 413.255 3.525 20 30 HHEDHN N#Cc1c(Cl)c2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870217 721136350 /nfs/dbraw/zinc/13/63/50/721136350.db2.gz BWAOVBJTJWVCTQ-ZWKOTPCHSA-N 0 3 419.916 3.635 20 30 HHEDHN N#Cc1ccc(-c2cccs2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879428 721149406 /nfs/dbraw/zinc/14/94/06/721149406.db2.gz SDQZIVFZKZILOX-PMACEKPBSA-N 0 3 417.538 3.556 20 30 HHEDHN N#Cc1cccc(OCCN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000537537744 1013052650 /nfs/dbraw/zinc/05/26/50/1013052650.db2.gz SHCAROKCDBHLOX-UHFFFAOYSA-N 0 3 420.431 3.905 20 30 HHEDHN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000303189260 971550795 /nfs/dbraw/zinc/55/07/95/971550795.db2.gz WEBDLFVAVQUANA-INIZCTEOSA-N 0 3 419.447 3.935 20 30 HHEDHN C=CCN1CCC(NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)CC1 ZINC000303365009 971661546 /nfs/dbraw/zinc/66/15/46/971661546.db2.gz IIRIKOKBVSDSQH-UHFFFAOYSA-N 0 3 401.514 3.623 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000303862016 972403930 /nfs/dbraw/zinc/40/39/30/972403930.db2.gz MADSJUOSIZZXRK-UHFFFAOYSA-N 0 3 420.557 3.538 20 30 HHEDHN C=CCOc1ccc(CN2CCCN(c3cc(OC)cc(OC)c3)CC2)cc1OC ZINC000537660074 1013220224 /nfs/dbraw/zinc/22/02/24/1013220224.db2.gz XJIATQKHXOHSOH-UHFFFAOYSA-N 0 3 412.530 3.990 20 30 HHEDHN CC1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)CC1 ZINC000553472307 1013379584 /nfs/dbraw/zinc/37/95/84/1013379584.db2.gz QVJVYTPMTDDHDJ-NRFANRHFSA-N 0 3 424.932 3.740 20 30 HHEDHN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)cc1 ZINC000048854724 964078658 /nfs/dbraw/zinc/07/86/58/964078658.db2.gz WNAROHIHCSTESJ-LJQANCHMSA-N 0 3 407.495 3.754 20 30 HHEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000052993705 965037209 /nfs/dbraw/zinc/03/72/09/965037209.db2.gz GNRGTUZAQWICOB-SFHVURJKSA-N 0 3 411.889 3.972 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(OCc2ccccc2)c1 ZINC000053055732 965052195 /nfs/dbraw/zinc/05/21/95/965052195.db2.gz BFYITQBEGUQQLE-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN Cc1nc2ccccc2c(C)c1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000060722712 966266623 /nfs/dbraw/zinc/26/66/23/966266623.db2.gz LTBNPYCDUBKVAD-UHFFFAOYSA-N 0 3 400.526 3.856 20 30 HHEDHN COc1ccccc1NC(=O)c1ccc(NC(=O)CCN2CCC(C#N)CC2)cc1 ZINC000060893357 966320275 /nfs/dbraw/zinc/32/02/75/966320275.db2.gz HYKRJOVNIYAWEP-UHFFFAOYSA-N 0 3 406.486 3.512 20 30 HHEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000056515959 966360792 /nfs/dbraw/zinc/36/07/92/966360792.db2.gz UMKFGIQNNGLFKV-UHFFFAOYSA-N 0 3 401.308 3.916 20 30 HHEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000061227995 966402477 /nfs/dbraw/zinc/40/24/77/966402477.db2.gz PTMHRJOENDIHOL-UHFFFAOYSA-N 0 3 402.542 3.917 20 30 HHEDHN CC(C)COc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000056957504 966531522 /nfs/dbraw/zinc/53/15/22/966531522.db2.gz LCOAKXSQNLZKRC-UHFFFAOYSA-N 0 3 408.546 3.866 20 30 HHEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1-c1ccc(Br)cc1 ZINC000041560709 966597360 /nfs/dbraw/zinc/59/73/60/966597360.db2.gz FSJPKAODFQINRE-MRXNPFEDSA-N 0 3 410.275 3.840 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCn1ccc2ccccc21 ZINC000042820519 966853747 /nfs/dbraw/zinc/85/37/47/966853747.db2.gz GAIIQBHTRSKTGS-UHFFFAOYSA-N 0 3 403.530 3.676 20 30 HHEDHN CC(C)[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000043105291 966905923 /nfs/dbraw/zinc/90/59/23/966905923.db2.gz BFHKXHNAPXNQSU-JOCHJYFZSA-N 0 3 418.545 3.905 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCc2cccnc2)c1 ZINC000044566446 967241393 /nfs/dbraw/zinc/24/13/93/967241393.db2.gz BAZUALDEWSRJLE-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN C[C@@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000542937639 1013771473 /nfs/dbraw/zinc/77/14/73/1013771473.db2.gz YMNPREWLHUDBJT-UONOGXRCSA-N 0 3 418.419 3.652 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000065930340 968720401 /nfs/dbraw/zinc/72/04/01/968720401.db2.gz PDTMCWDLDSPZLI-UHFFFAOYSA-N 0 3 416.481 3.608 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccccc1Br ZINC000065930361 968720480 /nfs/dbraw/zinc/72/04/80/968720480.db2.gz MGKSULVIUVMVAV-UHFFFAOYSA-N 0 3 414.347 3.844 20 30 HHEDHN CN(C)[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000097357756 969126294 /nfs/dbraw/zinc/12/62/94/969126294.db2.gz AITARENLBPLHCH-FQEVSTJZSA-N 0 3 403.448 3.529 20 30 HHEDHN CCCN(C(=O)COc1ccc(C#N)cc1OC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000116557368 969904237 /nfs/dbraw/zinc/90/42/37/969904237.db2.gz DEMYBICACKEFIY-QFIPXVFZSA-N 0 3 421.541 3.849 20 30 HHEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000195662324 969940250 /nfs/dbraw/zinc/94/02/50/969940250.db2.gz AGHJTYYYGMBHII-MBSDFSHPSA-N 0 3 415.493 3.901 20 30 HHEDHN N#CC(C(=O)CCSc1ccc(Br)cc1)C(=O)Nc1ccccn1 ZINC000138853519 970012679 /nfs/dbraw/zinc/01/26/79/970012679.db2.gz POGOIPVVJJBHEK-AWEZNQCLSA-N 0 3 404.289 3.674 20 30 HHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000140309821 970072423 /nfs/dbraw/zinc/07/24/23/970072423.db2.gz OOUHDIBAGLDYSM-INIZCTEOSA-N 0 3 406.423 3.988 20 30 HHEDHN COc1cc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc(OC)c1OC ZINC000237227569 970244801 /nfs/dbraw/zinc/24/48/01/970244801.db2.gz KPQLJTWNFXLQNR-UHFFFAOYSA-N 0 3 406.486 3.779 20 30 HHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237548016 970311221 /nfs/dbraw/zinc/31/12/21/970311221.db2.gz APBFOHGZPCUCTG-QRVBRYPASA-N 0 3 407.514 3.517 20 30 HHEDHN N#CCCn1cc(CNCc2ccc(CN3CCOCC3)cc2)c(-c2ccccc2)n1 ZINC000237831873 970377249 /nfs/dbraw/zinc/37/72/49/970377249.db2.gz KUBOZJRYJQHEHP-UHFFFAOYSA-N 0 3 415.541 3.586 20 30 HHEDHN C=CCC[C@H](NC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000554628881 1013993277 /nfs/dbraw/zinc/99/32/77/1013993277.db2.gz HLORAHDNXJQGIV-XXBNENTESA-N 0 3 420.557 3.547 20 30 HHEDHN N#Cc1ccc(NC(=O)CNC2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000195600821 970542579 /nfs/dbraw/zinc/54/25/79/970542579.db2.gz IHAFWRIJZBOOMU-UHFFFAOYSA-N 0 3 414.303 3.555 20 30 HHEDHN CCN1CCN(Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3Cl)cc2)CC1 ZINC000426163318 974276081 /nfs/dbraw/zinc/27/60/81/974276081.db2.gz VINMICONJSYESH-UHFFFAOYSA-N 0 3 411.937 3.671 20 30 HHEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426537179 974513998 /nfs/dbraw/zinc/51/39/98/974513998.db2.gz FHOUBKVEXAWKAZ-QZTJIDSGSA-N 0 3 420.513 3.668 20 30 HHEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426674691 974594680 /nfs/dbraw/zinc/59/46/80/974594680.db2.gz LRKPADLNVGFPLX-ZWKOTPCHSA-N 0 3 420.513 3.526 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429084978 976370593 /nfs/dbraw/zinc/37/05/93/976370593.db2.gz PHUBYMPQFFJAAT-XXBNENTESA-N 0 3 413.525 3.714 20 30 HHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H]2Cc3cccc(O)c3C2)c1C#N ZINC000429323485 976590092 /nfs/dbraw/zinc/59/00/92/976590092.db2.gz WTFUKZIMQNFQKT-SFHVURJKSA-N 0 3 406.530 3.883 20 30 HHEDHN CC(C)Oc1ccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1C#N ZINC000429619886 976906612 /nfs/dbraw/zinc/90/66/12/976906612.db2.gz IQHBXAAICBIFDU-QFIPXVFZSA-N 0 3 422.529 3.758 20 30 HHEDHN CN1CCN(Cc2ccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000431817895 978535313 /nfs/dbraw/zinc/53/53/13/978535313.db2.gz LCPQXBGMLOLWJY-DEOSSOPVSA-N 0 3 419.573 3.668 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)N(C)C)cc1 ZINC000432591501 978903491 /nfs/dbraw/zinc/90/34/91/978903491.db2.gz FLWUXGAMDZNHBD-JOCHJYFZSA-N 0 3 406.530 3.649 20 30 HHEDHN N#CCCC[C@@H](NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000433021716 979044298 /nfs/dbraw/zinc/04/42/98/979044298.db2.gz YCGFGQAHICVTMN-HSZRJFAPSA-N 0 3 418.541 3.564 20 30 HHEDHN N#CCCn1cc(CNCc2ccc(Br)s2)c(-c2ccncc2)n1 ZINC000433313449 979230183 /nfs/dbraw/zinc/23/01/83/979230183.db2.gz VPKPLNLNBNJRGA-UHFFFAOYSA-N 0 3 402.321 3.973 20 30 HHEDHN N#CCCn1cc(CNCc2ccnc(N3CCCCC3)c2)c(-c2ccncc2)n1 ZINC000433322831 979236289 /nfs/dbraw/zinc/23/62/89/979236289.db2.gz SEFHEGAWVDZHGR-UHFFFAOYSA-N 0 3 401.518 3.534 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nccn1-c1ccccc1 ZINC000434644438 980315065 /nfs/dbraw/zinc/31/50/65/980315065.db2.gz VKZYPESTOPHGNO-UHFFFAOYSA-N 0 3 408.575 3.971 20 30 HHEDHN CN(CCC(=O)Nc1cccc(C#N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000434788091 980398939 /nfs/dbraw/zinc/39/89/39/980398939.db2.gz XNQCDROAXFBPLT-ICSRJNTNSA-N 0 3 404.297 3.784 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000435185920 980706165 /nfs/dbraw/zinc/70/61/65/980706165.db2.gz ZKSUSFBZAZHLAC-CYBMUJFWSA-N 0 3 402.486 3.701 20 30 HHEDHN Cc1cc(NC(=O)N(CCC#N)CC2CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435525245 980919883 /nfs/dbraw/zinc/91/98/83/980919883.db2.gz ITSYVRWRFJPVCQ-OAQYLSRUSA-N 0 3 406.534 3.796 20 30 HHEDHN CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000460272618 982048349 /nfs/dbraw/zinc/04/83/49/982048349.db2.gz ZQGMDVCAZHCCSY-RTBURBONSA-N 0 3 400.530 3.936 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000438442076 982794936 /nfs/dbraw/zinc/79/49/36/982794936.db2.gz IKZLVHRNGNBROP-HKUYNNGSSA-N 0 3 413.484 3.760 20 30 HHEDHN CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438655569 982973088 /nfs/dbraw/zinc/97/30/88/982973088.db2.gz MHPQNFYZKHKIIU-JXFKEZNVSA-N 0 3 424.932 3.834 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)OC)c1ccccc1C ZINC000438892664 983140440 /nfs/dbraw/zinc/14/04/40/983140440.db2.gz GVWRBBMVXUFMTB-HXUWFJFHSA-N 0 3 414.575 3.807 20 30 HHEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@@H]1C ZINC000461509550 983157477 /nfs/dbraw/zinc/15/74/77/983157477.db2.gz RRURLEAOJDPTAG-IRXDYDNUSA-N 0 3 406.559 3.845 20 30 HHEDHN CN(C)Cc1cccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000439385389 983388596 /nfs/dbraw/zinc/38/85/96/983388596.db2.gz LASSTPDWZCXZFW-UHFFFAOYSA-N 0 3 414.465 3.989 20 30 HHEDHN C=CCc1ccc(OCC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c(OC)c1 ZINC000439741655 983521792 /nfs/dbraw/zinc/52/17/92/983521792.db2.gz RPOFORXSLLRZCU-GOSISDBHSA-N 0 3 409.530 3.539 20 30 HHEDHN N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000440515729 983782654 /nfs/dbraw/zinc/78/26/54/983782654.db2.gz FSSWJFZXOKDWFI-SANMLTNESA-N 0 3 411.505 3.592 20 30 HHEDHN CN(CCNC(=O)C1CCN(CC#Cc2ccccc2Cl)CC1)Cc1ccccc1 ZINC000441163163 984097060 /nfs/dbraw/zinc/09/70/60/984097060.db2.gz DOWQWLRDMMWVCR-UHFFFAOYSA-N 0 3 423.988 3.652 20 30 HHEDHN COC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000461728130 984743283 /nfs/dbraw/zinc/74/32/83/984743283.db2.gz HGJTTWJLUZAXDL-OAQYLSRUSA-N 0 3 414.937 3.673 20 30 HHEDHN CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)cc1 ZINC000443122718 985391163 /nfs/dbraw/zinc/39/11/63/985391163.db2.gz HOCHFRHRNKONLS-UHFFFAOYSA-N 0 3 410.562 3.589 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000443674047 985881294 /nfs/dbraw/zinc/88/12/94/985881294.db2.gz KLCBQTFZEDKHGN-BGYRXZFFSA-N 0 3 421.541 3.756 20 30 HHEDHN COc1cccc(-c2noc([C@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)n2)c1 ZINC000463208616 986180162 /nfs/dbraw/zinc/18/01/62/986180162.db2.gz XZZNZQRMCSOWFT-KRWDZBQOSA-N 0 3 417.513 3.932 20 30 HHEDHN CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CC1(C#N)CC1 ZINC000463355466 986321319 /nfs/dbraw/zinc/32/13/19/986321319.db2.gz WRXALGQAPXMXIP-UHFFFAOYSA-N 0 3 418.390 3.771 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000463485392 986461432 /nfs/dbraw/zinc/46/14/32/986461432.db2.gz SYJRBHUOTQQGLJ-UHFFFAOYSA-N 0 3 415.497 3.690 20 30 HHEDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468824635 986533320 /nfs/dbraw/zinc/53/33/20/986533320.db2.gz DCYRDIJQBMMKGY-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000444806735 986962842 /nfs/dbraw/zinc/96/28/42/986962842.db2.gz WZOUWWAEXWRFGO-DLBZAZTESA-N 0 3 409.452 3.776 20 30 HHEDHN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469338139 987044754 /nfs/dbraw/zinc/04/47/54/987044754.db2.gz NAVBPZPJSGIUJX-XXBNENTESA-N 0 3 417.557 3.987 20 30 HHEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCCCN2C2CC2)cc1C ZINC000470165146 988078235 /nfs/dbraw/zinc/07/82/35/988078235.db2.gz FJEHPCGBCSESOY-NRFANRHFSA-N 0 3 405.546 3.827 20 30 HHEDHN CC(C)OC(=O)C[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000464495598 988668686 /nfs/dbraw/zinc/66/86/86/988668686.db2.gz CBXNMBFFIPRVGM-MRXNPFEDSA-N 0 3 417.575 3.881 20 30 HHEDHN COc1cc(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)ccc1C#N ZINC000464698975 988908182 /nfs/dbraw/zinc/90/81/82/988908182.db2.gz IHLKRIURGPILAF-NRFANRHFSA-N 0 3 417.431 3.638 20 30 HHEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C)CC12CCCCC2 ZINC000471038008 989112733 /nfs/dbraw/zinc/11/27/33/989112733.db2.gz INTKADCOBULZQN-SFHVURJKSA-N 0 3 400.592 3.827 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCN(C)CC23CCCCC3)c1C#N ZINC000471039082 989114757 /nfs/dbraw/zinc/11/47/57/989114757.db2.gz TVUPPCJICPAXGO-UHFFFAOYSA-N 0 3 423.561 3.507 20 30 HHEDHN CCN1CCN(c2cccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)c2)CC1 ZINC000471637768 989844219 /nfs/dbraw/zinc/84/42/19/989844219.db2.gz ZIYIAICOLRRANY-UHFFFAOYSA-N 0 3 423.586 3.751 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000466146027 991329269 /nfs/dbraw/zinc/32/92/69/991329269.db2.gz ZXPSWAZYUYEGCI-GOSISDBHSA-N 0 3 421.545 3.664 20 30 HHEDHN COc1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1OCCCC#N ZINC000466475583 991767734 /nfs/dbraw/zinc/76/77/34/991767734.db2.gz UNLZQPOADBTPHY-NQIIRXRSSA-N 0 3 407.514 3.657 20 30 HHEDHN C[C@@H]1CC[N@H+](CCOc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)C1 ZINC000467440241 992736636 /nfs/dbraw/zinc/73/66/36/992736636.db2.gz QGYQCIGTTYJUGA-OAHLLOKOSA-N 0 3 419.934 3.733 20 30 HHEDHN C[C@@H]1CC[N@@H+](CCOc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)C1 ZINC000467440241 992736645 /nfs/dbraw/zinc/73/66/45/992736645.db2.gz QGYQCIGTTYJUGA-OAHLLOKOSA-N 0 3 419.934 3.733 20 30 HHEDHN C[C@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CN1Cc1ccccc1 ZINC000467486174 992774583 /nfs/dbraw/zinc/77/45/83/992774583.db2.gz NMQDUGYIGNFULR-WMLDXEAASA-N 0 3 400.429 3.944 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000472703079 993625428 /nfs/dbraw/zinc/62/54/28/993625428.db2.gz ULSCWKKRFQYHAM-QFIPXVFZSA-N 0 3 406.530 3.731 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)NC[C@@H](C)N2CCCC[C@H]2C)nnc1-c1ccco1 ZINC000480787590 993655347 /nfs/dbraw/zinc/65/53/47/993655347.db2.gz DQZMLZHAWNCKJE-IAGOWNOFSA-N 0 3 417.579 3.585 20 30 HHEDHN Cc1nc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1Br ZINC000481418722 994252396 /nfs/dbraw/zinc/25/23/96/994252396.db2.gz YUINHQXFIGPPTH-UHFFFAOYSA-N 0 3 416.323 3.620 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000481521923 994353007 /nfs/dbraw/zinc/35/30/07/994353007.db2.gz VGFAONJZWKZPAR-UHFFFAOYSA-N 0 3 420.273 3.918 20 30 HHEDHN C=C(C)[C@H](NCCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000481626068 994490325 /nfs/dbraw/zinc/49/03/25/994490325.db2.gz XHCCRAAYHIGHNM-FQEVSTJZSA-N 0 3 410.486 3.501 20 30 HHEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482893402 995823244 /nfs/dbraw/zinc/82/32/44/995823244.db2.gz ZTSKJDJNJNDVMQ-WMLDXEAASA-N 0 3 419.497 3.560 20 30 HHEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@@H]1CCC(C)(C)C1 ZINC000483125068 995990608 /nfs/dbraw/zinc/99/06/08/995990608.db2.gz RETJACVTQOQBTR-QZTJIDSGSA-N 0 3 412.578 3.867 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1)[C@@H]1CCCN(C)C1 ZINC000476157666 996642464 /nfs/dbraw/zinc/64/24/64/996642464.db2.gz NSPCYOGBUWUIDB-JOCHJYFZSA-N 0 3 418.541 3.906 20 30 HHEDHN N#CC1(NC(=O)CN2CCN(CCC34CC5CC(CC(C5)C3)C4)CC2)CCCCC1 ZINC000484590683 996923110 /nfs/dbraw/zinc/92/31/10/996923110.db2.gz LTUWOPHABGGVFE-UHFFFAOYSA-N 0 3 412.622 3.553 20 30 HHEDHN N#Cc1cc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)ccn1 ZINC000476558111 997050901 /nfs/dbraw/zinc/05/09/01/997050901.db2.gz AUSANAQAEPPDIQ-UHFFFAOYSA-N 0 3 411.509 3.570 20 30 HHEDHN CN(C)[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 ZINC000476597976 997102806 /nfs/dbraw/zinc/10/28/06/997102806.db2.gz OEQXRPZTXAMTSH-HRTMPFAESA-N 0 3 406.530 3.850 20 30 HHEDHN N#Cc1ccccc1OC1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000476663592 997201824 /nfs/dbraw/zinc/20/18/24/997201824.db2.gz ZBSQORSEARSTCF-KOENEWCDSA-N 0 3 418.541 3.822 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)CC1 ZINC000485014227 997379902 /nfs/dbraw/zinc/37/99/02/997379902.db2.gz JPLJGYRSMNISGS-UHFFFAOYSA-N 0 3 408.502 3.740 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)N(C)Cc1ccccc1 ZINC000478273022 998857072 /nfs/dbraw/zinc/85/70/72/998857072.db2.gz MIVONEUSJVEYII-MSOLQXFVSA-N 0 3 424.570 3.656 20 30 HHEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000486657812 998879916 /nfs/dbraw/zinc/87/99/16/998879916.db2.gz OQKIGHHZWJBPLO-HXUWFJFHSA-N 0 3 403.526 3.803 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478333005 998895171 /nfs/dbraw/zinc/89/51/71/998895171.db2.gz AMXJEFPLFMHBRM-KRWDZBQOSA-N 0 3 412.578 3.711 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478333005 998895176 /nfs/dbraw/zinc/89/51/76/998895176.db2.gz AMXJEFPLFMHBRM-KRWDZBQOSA-N 0 3 412.578 3.711 20 30 HHEDHN CCCN(C)[C@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1ccc(Cl)cc1 ZINC000478984138 999234117 /nfs/dbraw/zinc/23/41/17/999234117.db2.gz JWNVQLCKOXXPAM-GOSISDBHSA-N 0 3 402.930 3.963 20 30 HHEDHN N#Cc1ccc(CN2CC[C@H](N[C@@H]3CCc4cc(Br)ccc43)C2=O)cc1 ZINC000488477805 999500972 /nfs/dbraw/zinc/50/09/72/999500972.db2.gz KDYAYUMZXAQRQY-UXHICEINSA-N 0 3 410.315 3.699 20 30 HHEDHN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000488498073 999508410 /nfs/dbraw/zinc/50/84/10/999508410.db2.gz MXUDNYUCNMKHPL-YWZLYKJASA-N 0 3 417.431 3.951 20 30 HHEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000488807502 999614532 /nfs/dbraw/zinc/61/45/32/999614532.db2.gz OZWGPIBVEDIJTK-HNAYVOBHSA-N 0 3 411.468 3.827 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)c1 ZINC000489040104 999679976 /nfs/dbraw/zinc/67/99/76/999679976.db2.gz LXYDLTYZSVULIL-UHFFFAOYSA-N 0 3 409.530 3.920 20 30 HHEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccco1 ZINC000480272075 999760795 /nfs/dbraw/zinc/76/07/95/999760795.db2.gz VYSLOJODXXCTCA-RHSMWYFYSA-N 0 3 410.453 3.727 20 30 HHEDHN CC[C@@H](C)[C@@H](NCc1cc(C#N)n(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000480394717 999788652 /nfs/dbraw/zinc/78/86/52/999788652.db2.gz OWSWZNPUPFKPLX-NTKDMRAZSA-N 0 3 406.574 3.882 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1nccc2ccccc21 ZINC000480482363 999809051 /nfs/dbraw/zinc/80/90/51/999809051.db2.gz LOMXEKHJJICAFE-UHFFFAOYSA-N 0 3 404.539 3.789 20 30 HHEDHN C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000489788160 999838340 /nfs/dbraw/zinc/83/83/40/999838340.db2.gz PDXUPKCEJWNMLE-UHFFFAOYSA-N 0 3 411.521 3.680 20 30 HHEDHN COc1cc(N[C@H]2CCCN(CCC(=O)Nc3sccc3C#N)C2)cc(OC)c1 ZINC000490030238 999881144 /nfs/dbraw/zinc/88/11/44/999881144.db2.gz ZMHXCRRWFRNEOH-INIZCTEOSA-N 0 3 414.531 3.542 20 30 HHEDHN Cn1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491110214 1000046290 /nfs/dbraw/zinc/04/62/90/1000046290.db2.gz CDBJFCAPLODRLE-UHFFFAOYSA-N 0 3 403.505 3.806 20 30 HHEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000492211012 1000115568 /nfs/dbraw/zinc/11/55/68/1000115568.db2.gz PJAAANQHHIUKLU-PXNSSMCTSA-N 0 3 406.486 3.917 20 30 HHEDHN N#CCCCOc1cccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1 ZINC000493137623 1000159520 /nfs/dbraw/zinc/15/95/20/1000159520.db2.gz IDZVLCAAXGOTQQ-UHFFFAOYSA-N 0 3 407.514 3.826 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000493920255 1000214959 /nfs/dbraw/zinc/21/49/59/1000214959.db2.gz NTHMIZAZDPGENQ-UHFFFAOYSA-N 0 3 420.557 3.901 20 30 HHEDHN N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)c1 ZINC000493966823 1000242225 /nfs/dbraw/zinc/24/22/25/1000242225.db2.gz MCVIYGQEQDYXHW-HXUWFJFHSA-N 0 3 417.488 3.616 20 30 HHEDHN COCCN(CCC(=O)Nc1cccc(C#N)c1)Cc1cc(Br)cs1 ZINC000494126488 1000319380 /nfs/dbraw/zinc/31/93/80/1000319380.db2.gz NJMDIHWKEAYAAF-UHFFFAOYSA-N 0 3 422.348 3.859 20 30 HHEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000494793740 1000660047 /nfs/dbraw/zinc/66/00/47/1000660047.db2.gz WAMGRUNPBVJAMG-QRVBRYPASA-N 0 3 412.578 3.867 20 30 HHEDHN C=CCN1CCC(NC(=O)N(C)Cc2cc(Br)ccc2Cl)CC1 ZINC000494811918 1000671167 /nfs/dbraw/zinc/67/11/67/1000671167.db2.gz MFOSOGPTZMAKHY-UHFFFAOYSA-N 0 3 400.748 3.894 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)N(C)C)cc1 ZINC000505459206 1000787951 /nfs/dbraw/zinc/78/79/51/1000787951.db2.gz YDIHROHCVLURSB-QHCPKHFHSA-N 0 3 401.514 3.648 20 30 HHEDHN C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000505598372 1000927285 /nfs/dbraw/zinc/92/72/85/1000927285.db2.gz YUXZNBFVYCFGFY-PGRDOPGGSA-N 0 3 401.514 3.885 20 30 HHEDHN CC1(C)CN(C2(CNC(=O)NC3(c4cccc(C#N)c4)CC3)CCCCC2)CCO1 ZINC000495255615 1000939866 /nfs/dbraw/zinc/93/98/66/1000939866.db2.gz JAVWUAXAUFIGIV-UHFFFAOYSA-N 0 3 410.562 3.660 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2OC)CC1 ZINC000506486192 1001435447 /nfs/dbraw/zinc/43/54/47/1001435447.db2.gz FGUWIWJBOHRYOB-QHCPKHFHSA-N 0 3 409.530 3.743 20 30 HHEDHN C=CCc1cc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc(OC)c1O ZINC000507022334 1001768394 /nfs/dbraw/zinc/76/83/94/1001768394.db2.gz NYIXXVADSJYFHJ-UHFFFAOYSA-N 0 3 412.505 3.797 20 30 HHEDHN CCN1CCN([C@@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000498507164 1001929553 /nfs/dbraw/zinc/92/95/53/1001929553.db2.gz CLRCDYZKPZVGNZ-IBGZPJMESA-N 0 3 422.598 3.606 20 30 HHEDHN Cc1ccc(NC(=O)C[C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000507425808 1002065519 /nfs/dbraw/zinc/06/55/19/1002065519.db2.gz WLGPFXYMRGYLTI-GCJKJVERSA-N 0 3 404.514 3.677 20 30 HHEDHN CCc1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507426640 1002066131 /nfs/dbraw/zinc/06/61/31/1002066131.db2.gz HMXRADZRLBDFHX-VGOFRKELSA-N 0 3 404.514 3.623 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000498926082 1002323836 /nfs/dbraw/zinc/32/38/36/1002323836.db2.gz AVSCWBDYFWXEMQ-QUCCMNQESA-N 0 3 420.561 3.814 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000498926082 1002323849 /nfs/dbraw/zinc/32/38/49/1002323849.db2.gz AVSCWBDYFWXEMQ-QUCCMNQESA-N 0 3 420.561 3.814 20 30 HHEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1c(F)cccc1C#N ZINC000508566283 1003033224 /nfs/dbraw/zinc/03/32/24/1003033224.db2.gz FBPAPAOFSUZAGV-UHFFFAOYSA-N 0 3 407.411 3.849 20 30 HHEDHN C=CCn1c(-c2ncccc2C)nnc1N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000508847702 1003268623 /nfs/dbraw/zinc/26/86/23/1003268623.db2.gz LEWGUGPODFKZAZ-OAQYLSRUSA-N 0 3 402.546 3.935 20 30 HHEDHN C=CCn1c(COc2ccccc2OC)nnc1N1CCN(C2CCCCC2)CC1 ZINC000508873419 1003293415 /nfs/dbraw/zinc/29/34/15/1003293415.db2.gz MZONSVXHEYNGPT-UHFFFAOYSA-N 0 3 411.550 3.506 20 30 HHEDHN C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508913549 1003352994 /nfs/dbraw/zinc/35/29/94/1003352994.db2.gz PIJDEUFFLBTZFZ-RXVVDRJESA-N 0 3 413.566 3.779 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)n1-c1nccs1 ZINC000508949187 1003404240 /nfs/dbraw/zinc/40/42/40/1003404240.db2.gz JMQJIFABYLZHED-UHFFFAOYSA-N 0 3 407.543 3.626 20 30 HHEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000500744871 1003933499 /nfs/dbraw/zinc/93/34/99/1003933499.db2.gz GCSRDYVOLUQIQS-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1Br ZINC000509720609 1004051032 /nfs/dbraw/zinc/05/10/32/1004051032.db2.gz KEPYJVIJNJSWEH-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN CCC[C@@]1(NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCOC1 ZINC000512261907 1004163633 /nfs/dbraw/zinc/16/36/33/1004163633.db2.gz ORVYNEPRGCQENU-HSZRJFAPSA-N 0 3 412.509 3.651 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000501424778 1004412527 /nfs/dbraw/zinc/41/25/27/1004412527.db2.gz JVBAHXRJWFAYIX-PMACEKPBSA-N 0 3 420.347 3.583 20 30 HHEDHN C=CCN1CCC(NC(=O)NCC2(c3ccc(OC)c(OC)c3)CCCCC2)CC1 ZINC000512635919 1004448016 /nfs/dbraw/zinc/44/80/16/1004448016.db2.gz JAEANECMQKZMCT-UHFFFAOYSA-N 0 3 415.578 3.855 20 30 HHEDHN CCN1CCN(c2ccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc2)CC1 ZINC000510347745 1004498373 /nfs/dbraw/zinc/49/83/73/1004498373.db2.gz JJTXUPZADJCSED-UHFFFAOYSA-N 0 3 410.521 3.876 20 30 HHEDHN CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1cnc2ccc(C#N)cn12 ZINC000510434538 1004564789 /nfs/dbraw/zinc/56/47/89/1004564789.db2.gz FEGSPUFCMVCJHJ-UHFFFAOYSA-N 0 3 402.477 3.810 20 30 HHEDHN N#Cc1ccc(OC2CCN(CCC(=O)Nc3cc(F)cc(F)c3)CC2)c(F)c1 ZINC000512801264 1004566607 /nfs/dbraw/zinc/56/66/07/1004566607.db2.gz KNVJZQSBUGMWAR-UHFFFAOYSA-N 0 3 403.404 3.848 20 30 HHEDHN CCCS(=O)(=O)Nc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000512819642 1004579135 /nfs/dbraw/zinc/57/91/35/1004579135.db2.gz GSCNTVRJTXKGPY-UHFFFAOYSA-N 0 3 412.559 3.786 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(Br)c(F)c1 ZINC000501756334 1004687722 /nfs/dbraw/zinc/68/77/22/1004687722.db2.gz RXWBEPJYSCPVDN-UHFFFAOYSA-N 0 3 418.310 3.593 20 30 HHEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513118915 1004816717 /nfs/dbraw/zinc/81/67/17/1004816717.db2.gz QWMDFLCGSPBLHX-UHFFFAOYSA-N 0 3 424.455 3.618 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000502200075 1004954123 /nfs/dbraw/zinc/95/41/23/1004954123.db2.gz ZVVWAKQNIGMONK-UHFFFAOYSA-N 0 3 402.502 3.554 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cncc(Br)c1 ZINC000511115210 1005025705 /nfs/dbraw/zinc/02/57/05/1005025705.db2.gz LKGOGXJTKSOIQL-UHFFFAOYSA-N 0 3 422.396 3.942 20 30 HHEDHN C=CCN(Cc1cccs1)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000502381455 1005047810 /nfs/dbraw/zinc/04/78/10/1005047810.db2.gz ZWFIKMDNUIYKDY-JOCHJYFZSA-N 0 3 412.603 3.825 20 30 HHEDHN CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000513626956 1005055729 /nfs/dbraw/zinc/05/57/29/1005055729.db2.gz HSSWBTVYWUBLOK-UHFFFAOYSA-N 0 3 408.546 3.579 20 30 HHEDHN CN1CCN(CCCNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000502406383 1005061543 /nfs/dbraw/zinc/06/15/43/1005061543.db2.gz WGAMQZZXZILDNR-OAQYLSRUSA-N 0 3 411.937 3.712 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511240718 1005087064 /nfs/dbraw/zinc/08/70/64/1005087064.db2.gz IITKPNWNLCZUHG-DENIHFKCSA-N 0 3 418.541 3.947 20 30 HHEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513720971 1005095862 /nfs/dbraw/zinc/09/58/62/1005095862.db2.gz QZGACHRNKDSVDR-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)cc1 ZINC000502604641 1005136635 /nfs/dbraw/zinc/13/66/35/1005136635.db2.gz FSHCGGHFTCBPBX-UHFFFAOYSA-N 0 3 421.545 3.697 20 30 HHEDHN CC(C)N1CCN(c2cccc(NC(=O)CSCc3ccc(C#N)cc3)c2)CC1 ZINC000502866519 1005249917 /nfs/dbraw/zinc/24/99/17/1005249917.db2.gz DGXJSZZSMLWPAO-UHFFFAOYSA-N 0 3 408.571 3.961 20 30 HHEDHN CCN(CC)C(=O)c1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000503451922 1005424587 /nfs/dbraw/zinc/42/45/87/1005424587.db2.gz CFFJBCRQGBHTLT-UHFFFAOYSA-N 0 3 421.545 3.636 20 30 HHEDHN C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000504399619 1005618704 /nfs/dbraw/zinc/61/87/04/1005618704.db2.gz RLHYBAQTHHKEPR-UHFFFAOYSA-N 0 3 423.582 3.974 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nnc(-c2ccccc2)n1C ZINC000534056999 1006027826 /nfs/dbraw/zinc/02/78/26/1006027826.db2.gz UKRHEGSKUAXJRJ-UHFFFAOYSA-N 0 3 423.590 3.580 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC000515445237 1006468073 /nfs/dbraw/zinc/46/80/73/1006468073.db2.gz LJAXUAWABPKYJF-UHFFFAOYSA-N 0 3 400.498 3.896 20 30 HHEDHN CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000515704831 1006601793 /nfs/dbraw/zinc/60/17/93/1006601793.db2.gz QXYJDFILEDSNFL-UHFFFAOYSA-N 0 3 416.591 3.745 20 30 HHEDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000538719369 1006993492 /nfs/dbraw/zinc/99/34/92/1006993492.db2.gz FYXALILGYQYADM-DNQXCXABSA-N 0 3 406.526 3.889 20 30 HHEDHN C[C@H](NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000516369885 1007046297 /nfs/dbraw/zinc/04/62/97/1007046297.db2.gz UKMRCFBETIXCKK-NRFANRHFSA-N 0 3 419.573 3.516 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN(C)[C@H]2CCCc3nc(C)sc32)c(OC)c1 ZINC000532716439 1007128231 /nfs/dbraw/zinc/12/82/31/1007128231.db2.gz QHEQJGPODTZTDO-HKUYNNGSSA-N 0 3 402.560 3.938 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 ZINC000535222946 1007275043 /nfs/dbraw/zinc/27/50/43/1007275043.db2.gz XNLMFHLUGZTVEK-UHFFFAOYSA-N 0 3 418.339 3.797 20 30 HHEDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000539088067 1007376819 /nfs/dbraw/zinc/37/68/19/1007376819.db2.gz ZFMFOHABKPISSG-AWEZNQCLSA-N 0 3 405.376 3.972 20 30 HHEDHN C=C[C@@H](CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000535356377 1007413117 /nfs/dbraw/zinc/41/31/17/1007413117.db2.gz VKVKROYDPCBXIE-GOTSBHOMSA-N 0 3 418.585 3.802 20 30 HHEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000517243561 1007513710 /nfs/dbraw/zinc/51/37/10/1007513710.db2.gz UKKSEFVPMPAYCS-YWZLYKJASA-N 0 3 411.468 3.771 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)CC1 ZINC000517325301 1007568190 /nfs/dbraw/zinc/56/81/90/1007568190.db2.gz NCIUTBRDQHKVTG-UHFFFAOYSA-N 0 3 422.455 3.757 20 30 HHEDHN N#CCCN(CCC#N)C(=O)CN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000539277667 1007572152 /nfs/dbraw/zinc/57/21/52/1007572152.db2.gz SMKWHHBHXZRDEK-IBGZPJMESA-N 0 3 403.324 3.536 20 30 HHEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000517440167 1007661810 /nfs/dbraw/zinc/66/18/10/1007661810.db2.gz KNEPSIPFXORJFF-BKTGTZMESA-N 0 3 400.910 3.784 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2C)N(CC)CC)cc1 ZINC000517765101 1007951579 /nfs/dbraw/zinc/95/15/79/1007951579.db2.gz WAYHSULTODVWAU-QFIPXVFZSA-N 0 3 406.530 3.567 20 30 HHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539765427 1008081250 /nfs/dbraw/zinc/08/12/50/1008081250.db2.gz HNKIYYDBUXCBDK-APWZRJJASA-N 0 3 406.534 3.931 20 30 HHEDHN CCCN(Cc1cccc(C(=O)OC)c1C#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000533760413 1008085660 /nfs/dbraw/zinc/08/56/60/1008085660.db2.gz CZGGRIALHQCFSF-UHFFFAOYSA-N 0 3 421.545 3.633 20 30 HHEDHN C=CCN1CCC(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000517987751 1008088551 /nfs/dbraw/zinc/08/85/51/1008088551.db2.gz CLDDOXYXDCVUPE-UHFFFAOYSA-N 0 3 418.516 3.988 20 30 HHEDHN CN(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)Cc1ccccc1 ZINC000533812934 1008129111 /nfs/dbraw/zinc/12/91/11/1008129111.db2.gz QZIXZMPVJBERCL-OAQYLSRUSA-N 0 3 400.482 3.648 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000539943130 1008197161 /nfs/dbraw/zinc/19/71/61/1008197161.db2.gz CVUHFBYUQNFKKP-UHFFFAOYSA-N 0 3 407.514 3.718 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCSCc2ccccc2C#N)C1 ZINC000518402198 1008289761 /nfs/dbraw/zinc/28/97/61/1008289761.db2.gz PUQJUGHMGZSVLX-PGRDOPGGSA-N 0 3 408.571 3.926 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)N1CCCC1 ZINC000518462960 1008317986 /nfs/dbraw/zinc/31/79/86/1008317986.db2.gz DWTMIOOPXFCZRH-OXQOHEQNSA-N 0 3 424.932 3.534 20 30 HHEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1 ZINC000518516593 1008334884 /nfs/dbraw/zinc/33/48/84/1008334884.db2.gz MKDQWFFZANPCQJ-HNNXBMFYSA-N 0 3 405.435 3.640 20 30 HHEDHN CC(=O)c1ccccc1NC(=O)CCCN1CCCN(c2ccccc2C#N)CC1 ZINC000518659057 1008382767 /nfs/dbraw/zinc/38/27/67/1008382767.db2.gz WQLWBANXLJGTKS-UHFFFAOYSA-N 0 3 404.514 3.692 20 30 HHEDHN C[C@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000518703815 1008398310 /nfs/dbraw/zinc/39/83/10/1008398310.db2.gz KIEVMLWSPZVOMO-FQEVSTJZSA-N 0 3 405.546 3.521 20 30 HHEDHN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000540387157 1008411350 /nfs/dbraw/zinc/41/13/50/1008411350.db2.gz PALCBZVURGVFGX-ROUUACIJSA-N 0 3 405.477 3.997 20 30 HHEDHN C=CCC[C@@H](NCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccccc1 ZINC000540458481 1008440159 /nfs/dbraw/zinc/44/01/59/1008440159.db2.gz OCTQBDFETJDEBG-HXUWFJFHSA-N 0 3 420.492 3.914 20 30 HHEDHN CC(C)(C)[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000540468465 1008443474 /nfs/dbraw/zinc/44/34/74/1008443474.db2.gz PCSVFSPFEUMQBF-UGKGYDQZSA-N 0 3 410.587 3.834 20 30 HHEDHN C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC[C@H]1c1ccccc1 ZINC000540553793 1008478865 /nfs/dbraw/zinc/47/88/65/1008478865.db2.gz MEHWJGVGZDMRME-CEMLEFRQSA-N 0 3 422.598 3.583 20 30 HHEDHN CN(C)C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccc(Cl)cc1 ZINC000549240708 1008811443 /nfs/dbraw/zinc/81/14/43/1008811443.db2.gz HUHBWPBPMJRDAZ-QGZVFWFLSA-N 0 3 401.898 3.842 20 30 HHEDHN C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000549285474 1008857318 /nfs/dbraw/zinc/85/73/18/1008857318.db2.gz IXGDNEPWGPTIKU-JOCHJYFZSA-N 0 3 414.642 3.582 20 30 HHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549476748 1009074740 /nfs/dbraw/zinc/07/47/40/1009074740.db2.gz HDQKDWHKLZMMEK-VMRPVKRXSA-N 0 3 422.976 3.991 20 30 HHEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000520004712 1009159209 /nfs/dbraw/zinc/15/92/09/1009159209.db2.gz YJUYWLUVTUSWGE-ZWKOTPCHSA-N 0 3 420.513 3.526 20 30 HHEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000520004710 1009159230 /nfs/dbraw/zinc/15/92/30/1009159230.db2.gz YJUYWLUVTUSWGE-QZTJIDSGSA-N 0 3 420.513 3.526 20 30 HHEDHN N#CC(C(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccncn1 ZINC000546153433 1009184848 /nfs/dbraw/zinc/18/48/48/1009184848.db2.gz LTCPZIKGBZNCBG-INIZCTEOSA-N 0 3 421.254 3.981 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3CCCN3Cc3ccccc3)n2)c(F)c1 ZINC000543887782 1009464861 /nfs/dbraw/zinc/46/48/61/1009464861.db2.gz HVHCJQZHUXCMQH-LJQANCHMSA-N 0 3 418.476 3.669 20 30 HHEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000520355048 1009491596 /nfs/dbraw/zinc/49/15/96/1009491596.db2.gz BPNWYGQVJBUZAJ-QHCPKHFHSA-N 0 3 407.514 3.728 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000520692223 1009760652 /nfs/dbraw/zinc/76/06/52/1009760652.db2.gz QVCDVDGGFHDKSZ-CQSZACIVSA-N 0 3 410.356 3.858 20 30 HHEDHN Cc1cc(C)cc([C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)c1 ZINC000544188968 1009791687 /nfs/dbraw/zinc/79/16/87/1009791687.db2.gz JVZCYCLDHIWBGW-IRLDBZIGSA-N 0 3 422.598 3.563 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccc(I)cc2Cl)CC1 ZINC000520745959 1009815865 /nfs/dbraw/zinc/81/58/65/1009815865.db2.gz BGPXIECYWPBYNR-UHFFFAOYSA-N 0 3 419.694 3.717 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccccc2C[NH+]2CCCC2)no1 ZINC000546942217 1009900387 /nfs/dbraw/zinc/90/03/87/1009900387.db2.gz BWIJFWQXTBXTLE-UHFFFAOYSA-N 0 3 403.486 3.707 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000544306600 1009928062 /nfs/dbraw/zinc/92/80/62/1009928062.db2.gz CTYXRUKTVJEKJM-UHFFFAOYSA-N 0 3 422.529 3.542 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000544310185 1009932774 /nfs/dbraw/zinc/93/27/74/1009932774.db2.gz XBHCGTANVOQXNV-PXNSSMCTSA-N 0 3 408.502 3.540 20 30 HHEDHN C[C@](O)(C1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)C(F)(F)F ZINC000547345001 1010263039 /nfs/dbraw/zinc/26/30/39/1010263039.db2.gz GVXWKGBJJBNGNA-KRWDZBQOSA-N 0 3 403.832 3.566 20 30 HHEDHN N#C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc(Cl)c1Cl ZINC000521293551 1010284774 /nfs/dbraw/zinc/28/47/74/1010284774.db2.gz XXOCQVHWOLLMJH-QAPCUYQASA-N 0 3 403.313 3.981 20 30 HHEDHN COc1cc(C#N)ccc1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000547417929 1010295926 /nfs/dbraw/zinc/29/59/26/1010295926.db2.gz VHWQXSMBPDKAPN-HXUWFJFHSA-N 0 3 403.404 3.960 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000521508328 1010422961 /nfs/dbraw/zinc/42/29/61/1010422961.db2.gz LDQVWGDZYKUQQX-XZOQPEGZSA-N 0 3 424.520 3.691 20 30 HHEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000521530478 1010441212 /nfs/dbraw/zinc/44/12/12/1010441212.db2.gz IERBEHGXPPXLQC-SFHVURJKSA-N 0 3 410.493 3.984 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000547863194 1010456073 /nfs/dbraw/zinc/45/60/73/1010456073.db2.gz QUUAPRZABCQXQT-UHFFFAOYSA-N 0 3 422.529 3.954 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)CC1 ZINC000521579481 1010477387 /nfs/dbraw/zinc/47/73/87/1010477387.db2.gz UQFQHGXXWJYNRQ-UHFFFAOYSA-N 0 3 412.843 3.925 20 30 HHEDHN N#Cc1c(F)cc(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1F ZINC000521685570 1010550142 /nfs/dbraw/zinc/55/01/42/1010550142.db2.gz HDWITUXVXLJGNQ-HXUWFJFHSA-N 0 3 423.385 3.907 20 30 HHEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCCSCc2ccccc2C#N)c1 ZINC000522309590 1010921725 /nfs/dbraw/zinc/92/17/25/1010921725.db2.gz VQDVFESISYKBTA-UHFFFAOYSA-N 0 3 410.587 3.873 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCCCc2ccc(Br)cc2F)CC1 ZINC000522546531 1011073123 /nfs/dbraw/zinc/07/31/23/1011073123.db2.gz RURBUSZGDWMRKG-UHFFFAOYSA-N 0 3 412.347 3.861 20 30 HHEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000540575902 1011233276 /nfs/dbraw/zinc/23/32/76/1011233276.db2.gz XQAWWKZRZHGEEL-LAUBAEHRSA-N 0 3 405.926 3.607 20 30 HHEDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000522846213 1011286746 /nfs/dbraw/zinc/28/67/46/1011286746.db2.gz QYAGQTNATRWBMJ-LJQANCHMSA-N 0 3 421.545 3.746 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000540988951 1011622875 /nfs/dbraw/zinc/62/28/75/1011622875.db2.gz OGQGXFDIAUISCS-LJQANCHMSA-N 0 3 411.468 3.829 20 30 HHEDHN COC(=O)C1CCN(C(=O)[C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541084359 1011725395 /nfs/dbraw/zinc/72/53/95/1011725395.db2.gz GWVMQEMYYJPJLA-MSOLQXFVSA-N 0 3 419.525 3.676 20 30 HHEDHN CN(C)[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)Cc1ccccc1 ZINC000541104489 1011751548 /nfs/dbraw/zinc/75/15/48/1011751548.db2.gz CIGNKRHGLWGIOP-LJQANCHMSA-N 0 3 422.920 3.692 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000523383796 1011860359 /nfs/dbraw/zinc/86/03/59/1011860359.db2.gz AAXVZMUGNHTVNB-UHFFFAOYSA-N 0 3 420.557 3.757 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2C)N(CC)CC)cc1 ZINC000551799648 1011957669 /nfs/dbraw/zinc/95/76/69/1011957669.db2.gz QWJCVXQDWAPIFC-QFIPXVFZSA-N 0 3 406.530 3.567 20 30 HHEDHN C=CCc1cc(CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc(OC)c1OC ZINC000523598257 1012161408 /nfs/dbraw/zinc/16/14/08/1012161408.db2.gz CRADGFOKZAFBOO-NRFANRHFSA-N 0 3 411.546 3.843 20 30 HHEDHN C[C@H](N[C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541636579 1012451417 /nfs/dbraw/zinc/45/14/17/1012451417.db2.gz ADKCIHFBRSUYPJ-KBXCAEBGSA-N 0 3 416.591 3.630 20 30 HHEDHN C[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000541690133 1012531819 /nfs/dbraw/zinc/53/18/19/1012531819.db2.gz FREBKFWVYONORI-ZMPRRUGASA-N 0 3 416.443 3.716 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H](C)[C@@H]2COc3ccccc32)c1C#N ZINC000541694532 1012541671 /nfs/dbraw/zinc/54/16/71/1012541671.db2.gz BDDZYANCJYEFMZ-KKSFZXQISA-N 0 3 418.497 3.711 20 30 HHEDHN C=CCC[C@@H](NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 ZINC000537154712 1012550919 /nfs/dbraw/zinc/55/09/19/1012550919.db2.gz BPDYJLSOLJXLAZ-HSZRJFAPSA-N 0 3 405.542 3.705 20 30 HHEDHN N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H](c3cccs3)N3CCCC3)C2)c(F)c1 ZINC000552707795 1012719375 /nfs/dbraw/zinc/71/93/75/1012719375.db2.gz RZLFQRHSIIIGLZ-YLJYHZDGSA-N 0 3 412.534 3.538 20 30 HHEDHN CN(C)Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)cc1 ZINC000904622582 1071816844 /nfs/dbraw/zinc/81/68/44/1071816844.db2.gz JPRVTPIKCZCVKK-QGZVFWFLSA-N 0 3 421.888 3.844 20 30 HHEDHN Cc1cc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)ccc1C#N ZINC000488199488 1072118371 /nfs/dbraw/zinc/11/83/71/1072118371.db2.gz WYECYJPNSWLFAV-UHFFFAOYSA-N 0 3 413.319 3.875 20 30 HHEDHN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000555242313 1073285923 /nfs/dbraw/zinc/28/59/23/1073285923.db2.gz IROCOLOUQNACKL-UHFFFAOYSA-N 0 3 401.599 3.668 20 30 HHEDHN C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000555273373 1073312861 /nfs/dbraw/zinc/31/28/61/1073312861.db2.gz SAQIMMVCYORWKZ-UHFFFAOYSA-N 0 3 409.578 3.632 20 30 HHEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000590232048 1073666389 /nfs/dbraw/zinc/66/63/89/1073666389.db2.gz OOUKOGSZKDRCOF-KRWDZBQOSA-N 0 3 424.570 3.589 20 30 HHEDHN Cn1cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000481613184 1073823698 /nfs/dbraw/zinc/82/36/98/1073823698.db2.gz OGOZWWHCWIGBGG-UHFFFAOYSA-N 0 3 404.489 3.667 20 30 HHEDHN CSc1ccc([C@@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)N(C)C)cc1 ZINC000590532191 1073909631 /nfs/dbraw/zinc/90/96/31/1073909631.db2.gz PVCAYBPPDCHHQJ-FGZHOGPDSA-N 0 3 408.571 3.668 20 30 HHEDHN CC[C@](C)(CC(=O)OC)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000760903788 1074618920 /nfs/dbraw/zinc/61/89/20/1074618920.db2.gz MXDSIIIHEXDIOT-JOCHJYFZSA-N 0 3 402.539 3.742 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC1 ZINC000592075706 1074687782 /nfs/dbraw/zinc/68/77/82/1074687782.db2.gz ZMBUAVUBZLCJPE-UHFFFAOYSA-N 0 3 410.415 3.801 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000592489829 1074769235 /nfs/dbraw/zinc/76/92/35/1074769235.db2.gz BSEXDKMMLKCBQD-JOCHJYFZSA-N 0 3 421.520 3.866 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccc(Br)cc2Br)CC1 ZINC000592526130 1074781233 /nfs/dbraw/zinc/78/12/33/1074781233.db2.gz PQDPLKHHHHOULF-UHFFFAOYSA-N 0 3 417.145 3.984 20 30 HHEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)CC1 ZINC000592526156 1074781288 /nfs/dbraw/zinc/78/12/88/1074781288.db2.gz XFTHJZGDTGDTFI-UHFFFAOYSA-N 0 3 409.477 3.621 20 30 HHEDHN C=CCN(C(=O)c1cccc(CN2CCCC2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596103558 1075534631 /nfs/dbraw/zinc/53/46/31/1075534631.db2.gz CXAPVCIEFKDOGX-LJQANCHMSA-N 0 3 416.529 3.648 20 30 HHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625249 719067253 /nfs/dbraw/zinc/06/72/53/719067253.db2.gz NBRKZSAAPFYFMV-WBVHZDCISA-N 0 3 417.966 3.761 20 30 HHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625249 719067254 /nfs/dbraw/zinc/06/72/54/719067254.db2.gz NBRKZSAAPFYFMV-WBVHZDCISA-N 0 3 417.966 3.761 20 30 HHEDHN N#Cc1ccc(-c2cccs2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879431 721149343 /nfs/dbraw/zinc/14/93/43/721149343.db2.gz SDQZIVFZKZILOX-WOJBJXKFSA-N 0 3 417.538 3.556 20 30 HHEDHN N#Cc1cnc2cc[nH]c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c1-2 ZINC001164904298 721719624 /nfs/dbraw/zinc/71/96/24/721719624.db2.gz BLSSXJIMVZEXHB-NRFANRHFSA-N 0 3 408.456 3.567 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)CC1 ZINC000303263700 971586993 /nfs/dbraw/zinc/58/69/93/971586993.db2.gz IFHIPIZMQBDCJD-UHFFFAOYSA-N 0 3 416.525 3.928 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)CC1 ZINC000303265370 971587751 /nfs/dbraw/zinc/58/77/51/971587751.db2.gz INZRNVNHJIDWDZ-UHFFFAOYSA-N 0 3 421.467 3.790 20 30 HHEDHN C=CCN1CCC(NC(=O)c2oc3ccccc3c2CSc2ncccn2)CC1 ZINC000303271524 971590566 /nfs/dbraw/zinc/59/05/66/971590566.db2.gz JTXMKGMVJWKBTJ-UHFFFAOYSA-N 0 3 408.527 3.895 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)CC1 ZINC000303342656 971644227 /nfs/dbraw/zinc/64/42/27/971644227.db2.gz ZFHZRIJESHJCHT-UHFFFAOYSA-N 0 3 416.525 3.928 20 30 HHEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)CC1 ZINC000303348302 971648036 /nfs/dbraw/zinc/64/80/36/971648036.db2.gz FISZVBIJXHIAQD-DEOSSOPVSA-N 0 3 415.537 3.948 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2ccc(Oc3ccccc3OCC)nc2)CC1 ZINC000303349434 971648987 /nfs/dbraw/zinc/64/89/87/971648987.db2.gz XYAFGWXFMJYSQO-UHFFFAOYSA-N 0 3 410.518 3.722 20 30 HHEDHN C#CCN1CCC(C(=O)NCCCCSc2ccccc2Br)CC1 ZINC000303581100 971873220 /nfs/dbraw/zinc/87/32/20/971873220.db2.gz DQSSIZYJJAWIQQ-UHFFFAOYSA-N 0 3 409.393 3.783 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303761881 972011173 /nfs/dbraw/zinc/01/11/73/972011173.db2.gz ORUDMORACBHSDU-LAUBAEHRSA-N 0 3 420.557 3.720 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303761881 972011176 /nfs/dbraw/zinc/01/11/76/972011176.db2.gz ORUDMORACBHSDU-LAUBAEHRSA-N 0 3 420.557 3.720 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)CC1 ZINC000553288798 1013246028 /nfs/dbraw/zinc/24/60/28/1013246028.db2.gz PIFXQBSFDGRLQE-UHFFFAOYSA-N 0 3 408.571 3.996 20 30 HHEDHN N#Cc1ccc(CN(C(=O)CCCN2CCN(c3ccccc3)CC2)C2CC2)cc1 ZINC000542299149 1013257183 /nfs/dbraw/zinc/25/71/83/1013257183.db2.gz VJFLZNXNYZKWEE-UHFFFAOYSA-N 0 3 402.542 3.652 20 30 HHEDHN N#Cc1ccc(CN2CCCN(Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)cc1 ZINC000022819149 963722823 /nfs/dbraw/zinc/72/28/23/963722823.db2.gz XAWISRLQTWCWCZ-UHFFFAOYSA-N 0 3 413.521 3.861 20 30 HHEDHN Cc1ccsc1[C@@H](Cc1ccccc1)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000542523961 1013466419 /nfs/dbraw/zinc/46/64/19/1013466419.db2.gz DDPSSLDMKJECEH-YADHBBJMSA-N 0 3 424.614 3.622 20 30 HHEDHN CC(C)Cn1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C(F)F)n1 ZINC000537911349 1013496911 /nfs/dbraw/zinc/49/69/11/1013496911.db2.gz LLLHGFGYAIVIRU-UHFFFAOYSA-N 0 3 418.492 3.944 20 30 HHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCN(C3CCCC3)CC2)c1C#N ZINC000027119817 964789822 /nfs/dbraw/zinc/78/98/22/964789822.db2.gz YNWQKLXICWEYKT-UHFFFAOYSA-N 0 3 411.594 3.981 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000052485681 964916106 /nfs/dbraw/zinc/91/61/06/964916106.db2.gz OFQUFGKQXZIXQV-RBUKOAKNSA-N 0 3 419.639 3.764 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(-c2cccs2)no1 ZINC000052485701 964916476 /nfs/dbraw/zinc/91/64/76/964916476.db2.gz RSABOGHHQMTLEF-UHFFFAOYSA-N 0 3 416.576 3.896 20 30 HHEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C)c1)C(C)C ZINC000062205191 966623395 /nfs/dbraw/zinc/62/33/95/966623395.db2.gz KWBQOHWULIZOJM-GOSISDBHSA-N 0 3 422.367 3.511 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000063402414 966844708 /nfs/dbraw/zinc/84/47/08/966844708.db2.gz SHFIUSXRGZGCMM-UHFFFAOYSA-N 0 3 418.563 3.654 20 30 HHEDHN Cc1ccc(-c2nc(CC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cs2)o1 ZINC000044566500 967241153 /nfs/dbraw/zinc/24/11/53/967241153.db2.gz IFPYJECUHHJOET-UHFFFAOYSA-N 0 3 408.527 3.716 20 30 HHEDHN CN(CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC000065444738 967468785 /nfs/dbraw/zinc/46/87/85/967468785.db2.gz AGRNBSSWMLRNLI-UHFFFAOYSA-N 0 3 406.408 3.753 20 30 HHEDHN C[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)c1ccccc1 ZINC000538199064 1013754955 /nfs/dbraw/zinc/75/49/55/1013754955.db2.gz MSBFURBBHIFWIH-IEBWSBKVSA-N 0 3 406.530 3.707 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000047011488 968031226 /nfs/dbraw/zinc/03/12/26/968031226.db2.gz KNENESRQKOYWRB-UHFFFAOYSA-N 0 3 405.420 3.703 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000065930240 968720512 /nfs/dbraw/zinc/72/05/12/968720512.db2.gz SRRBCHUGLCKENR-UHFFFAOYSA-N 0 3 407.905 3.601 20 30 HHEDHN CCN(CC)[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000111072458 969772539 /nfs/dbraw/zinc/77/25/39/969772539.db2.gz PCDQXWRGEKXPPR-DEOSSOPVSA-N 0 3 404.558 3.676 20 30 HHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccccc2C)c1C ZINC000113140321 969824947 /nfs/dbraw/zinc/82/49/47/969824947.db2.gz FTDJNAUGWJOABO-KRWDZBQOSA-N 0 3 402.454 3.849 20 30 HHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000113141385 969825048 /nfs/dbraw/zinc/82/50/48/969825048.db2.gz RLGRZEICUCLXAX-QGZVFWFLSA-N 0 3 422.872 3.945 20 30 HHEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000116676009 969913788 /nfs/dbraw/zinc/91/37/88/969913788.db2.gz XWKRSZVMVUHNRC-HOCLYGCPSA-N 0 3 406.552 3.716 20 30 HHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000138579368 970003114 /nfs/dbraw/zinc/00/31/14/970003114.db2.gz AGEYTSJIVYKZPW-HNNXBMFYSA-N 0 3 408.845 3.886 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000229496364 970129972 /nfs/dbraw/zinc/12/99/72/970129972.db2.gz JKTYKPSBUNSQCF-IFMALSPDSA-N 0 3 418.541 3.665 20 30 HHEDHN COCCN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc(C#N)cc1 ZINC000554729800 1014033631 /nfs/dbraw/zinc/03/36/31/1014033631.db2.gz JAKMQWMUECXMLS-OAQYLSRUSA-N 0 3 413.468 3.695 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000426354343 974411316 /nfs/dbraw/zinc/41/13/16/974411316.db2.gz SNILTXCYGWZEIN-UHFFFAOYSA-N 0 3 409.486 3.944 20 30 HHEDHN Cc1cc(S(=O)(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)ccc1C#N ZINC000427640609 975220912 /nfs/dbraw/zinc/22/09/12/975220912.db2.gz XVPHCDWGGHDPPT-UHFFFAOYSA-N 0 3 404.495 3.625 20 30 HHEDHN N#CCCn1ncc(C(=O)NCCCN2CCc3ccccc3C2)c1-c1ccccc1 ZINC000428193885 975519373 /nfs/dbraw/zinc/51/93/73/975519373.db2.gz CPPAAHYNATYUNE-UHFFFAOYSA-N 0 3 413.525 3.642 20 30 HHEDHN CC(C)N(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H](C)c1ccccc1 ZINC000428851757 976139044 /nfs/dbraw/zinc/13/90/44/976139044.db2.gz RZNUJLIBPIELBJ-FPOVZHCZSA-N 0 3 410.587 3.929 20 30 HHEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429032294 976316275 /nfs/dbraw/zinc/31/62/75/976316275.db2.gz WOQDHDUKEITOTK-DEOSSOPVSA-N 0 3 418.541 3.547 20 30 HHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429047569 976334133 /nfs/dbraw/zinc/33/41/33/976334133.db2.gz XLCVNDVWIMDYBJ-NRFANRHFSA-N 0 3 422.529 3.758 20 30 HHEDHN CCCn1ccnc1CCCN(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429246643 976536213 /nfs/dbraw/zinc/53/62/13/976536213.db2.gz OYMWXFUGCFOHPF-UHFFFAOYSA-N 0 3 413.591 3.998 20 30 HHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000429861946 977133183 /nfs/dbraw/zinc/13/31/83/977133183.db2.gz XWUPGECHYULEBP-UHFFFAOYSA-N 0 3 418.566 3.759 20 30 HHEDHN CS(=O)(=O)c1ccc(NC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000429879630 977155411 /nfs/dbraw/zinc/15/54/11/977155411.db2.gz ZOXOEVUBBWECPW-CYBMUJFWSA-N 0 3 405.888 3.599 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)CC1 ZINC000430557892 977630739 /nfs/dbraw/zinc/63/07/39/977630739.db2.gz UMFVIFKUPHTMAM-UHFFFAOYSA-N 0 3 403.482 3.701 20 30 HHEDHN C=CCN1C(=O)N(C2CCN(Cc3ccccc3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430975988 977922640 /nfs/dbraw/zinc/92/26/40/977922640.db2.gz DMLGOMXNKUOLCT-HSZRJFAPSA-N 0 3 403.526 3.713 20 30 HHEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000432489914 978844767 /nfs/dbraw/zinc/84/47/67/978844767.db2.gz NEIILZWJRZQQQR-OAQYLSRUSA-N 0 3 421.497 3.941 20 30 HHEDHN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433021788 979044346 /nfs/dbraw/zinc/04/43/46/979044346.db2.gz YNJNALGRRCESHY-OAQYLSRUSA-N 0 3 407.514 3.831 20 30 HHEDHN CCN(C[C@H]1COc2ccccc2O1)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433021479 979044455 /nfs/dbraw/zinc/04/44/55/979044455.db2.gz XIQXNTXETSTZTI-SFTDATJTSA-N 0 3 407.514 3.700 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc(Br)ccc1F ZINC000433770683 979562419 /nfs/dbraw/zinc/56/24/19/979562419.db2.gz IEWNPIUSWMJFHD-UHFFFAOYSA-N 0 3 418.310 3.593 20 30 HHEDHN CN(c1ccccc1)C1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435127048 980658113 /nfs/dbraw/zinc/65/81/13/980658113.db2.gz UGAXRRIFKURTDL-UHFFFAOYSA-N 0 3 400.530 3.960 20 30 HHEDHN C=CCC[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000435760652 981019253 /nfs/dbraw/zinc/01/92/53/981019253.db2.gz LOOMVMIRNRRMKE-HJOGWXRNSA-N 0 3 407.558 3.876 20 30 HHEDHN Cn1cc([C@H](NC2CCC(Oc3ncccc3C#N)CC2)c2cccc(F)c2)cn1 ZINC000437102802 981762620 /nfs/dbraw/zinc/76/26/20/981762620.db2.gz XTXBMINIBNBCHL-LZBANZJXSA-N 0 3 405.477 3.895 20 30 HHEDHN CCn1c(-c2ccccc2OC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460173079 981945442 /nfs/dbraw/zinc/94/54/42/981945442.db2.gz PUAJYRSDNCSLDD-UHFFFAOYSA-N 0 3 416.529 3.558 20 30 HHEDHN COC(=O)COc1c(C)cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1C ZINC000437361099 982009060 /nfs/dbraw/zinc/00/90/60/982009060.db2.gz ZDQUFGXHPPACMF-KRWDZBQOSA-N 0 3 421.478 3.864 20 30 HHEDHN N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](N4CC=CC4)C3)cc2F)c1 ZINC000437945562 982478074 /nfs/dbraw/zinc/47/80/74/982478074.db2.gz FNXKGVCMHXLZFR-HXUWFJFHSA-N 0 3 406.461 3.754 20 30 HHEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@@H]1C ZINC000461509548 983157382 /nfs/dbraw/zinc/15/73/82/983157382.db2.gz RRURLEAOJDPTAG-DLBZAZTESA-N 0 3 406.559 3.845 20 30 HHEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000439231432 983321099 /nfs/dbraw/zinc/32/10/99/983321099.db2.gz CERWZUABRGEDGN-SFHVURJKSA-N 0 3 417.962 3.744 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)c(OCC3CCCCC3)c2)CC1 ZINC000442291962 984794370 /nfs/dbraw/zinc/79/43/70/984794370.db2.gz DTVOHZLAQXQLMC-UHFFFAOYSA-N 0 3 413.562 3.659 20 30 HHEDHN Cc1cc(=O)c(C(=O)C(C#N)c2nc3ccccc3n2C)nn1-c1cccc(Cl)c1 ZINC000442620523 985097081 /nfs/dbraw/zinc/09/70/81/985097081.db2.gz SIKZOPUALDXSMF-INIZCTEOSA-N 0 3 417.856 3.571 20 30 HHEDHN C[C@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 ZINC000462129642 985100490 /nfs/dbraw/zinc/10/04/90/985100490.db2.gz KZWQXSKDUUMHPF-KRWDZBQOSA-N 0 3 411.933 3.975 20 30 HHEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1CCC(C#N)CC1 ZINC000442742169 985198164 /nfs/dbraw/zinc/19/81/64/985198164.db2.gz XAAMCQLAHWAHHL-UHFFFAOYSA-N 0 3 421.383 3.852 20 30 HHEDHN COc1cc(CN2CCC[C@@H](Cn3ccnn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000443594612 985770734 /nfs/dbraw/zinc/77/07/34/985770734.db2.gz RJKSBWSSAHZEET-JOCHJYFZSA-N 0 3 417.513 3.650 20 30 HHEDHN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000468235514 985933008 /nfs/dbraw/zinc/93/30/08/985933008.db2.gz SVFUDUZQPKYOFS-JOCHJYFZSA-N 0 3 420.557 3.760 20 30 HHEDHN C=CCOc1cc(OC)ccc1C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000468291118 985988778 /nfs/dbraw/zinc/98/87/78/985988778.db2.gz VJPCEBRBFYYASH-UHFFFAOYSA-N 0 3 410.514 3.641 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(Br)c1 ZINC000463120893 986084990 /nfs/dbraw/zinc/08/49/90/986084990.db2.gz TXOMZCIZDUMFOS-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463506348 986481789 /nfs/dbraw/zinc/48/17/89/986481789.db2.gz JNOBVMAADDAIQS-QZTJIDSGSA-N 0 3 401.432 3.669 20 30 HHEDHN CCN1CCN(c2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000468812916 986521949 /nfs/dbraw/zinc/52/19/49/986521949.db2.gz DJYQZTCGFHEWSW-HXUWFJFHSA-N 0 3 416.447 3.842 20 30 HHEDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000469088780 986801791 /nfs/dbraw/zinc/80/17/91/986801791.db2.gz UCQZQOKRBJIFME-IBGZPJMESA-N 0 3 422.598 3.713 20 30 HHEDHN COC(=O)[C@](C)(CN[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccccc1 ZINC000469216153 986938770 /nfs/dbraw/zinc/93/87/70/986938770.db2.gz HFFVQIIXKNKUPS-CJFMBICVSA-N 0 3 421.541 3.659 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1c(F)cc(Br)cc1F ZINC000445802343 987863538 /nfs/dbraw/zinc/86/35/38/987863538.db2.gz MHPKMOVANHNQJQ-UHFFFAOYSA-N 0 3 422.273 3.803 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(Br)cc1F ZINC000445810685 987871345 /nfs/dbraw/zinc/87/13/45/987871345.db2.gz MRPXMSCTAUIADS-UHFFFAOYSA-N 0 3 422.273 3.803 20 30 HHEDHN N#CC(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1cc(C(F)(F)F)ccn1 ZINC000464467739 988642075 /nfs/dbraw/zinc/64/20/75/988642075.db2.gz OFLCFKRANLGSTI-GFCCVEGCSA-N 0 3 408.767 3.773 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Oc2ccccc2)ccn1 ZINC000465124847 989458106 /nfs/dbraw/zinc/45/81/06/989458106.db2.gz ZLMYEMPRCKXGIL-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000465534376 989896969 /nfs/dbraw/zinc/89/69/69/989896969.db2.gz QEEZNQCIRPSEHT-BJKOFHAPSA-N 0 3 402.542 3.916 20 30 HHEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000465664591 990050529 /nfs/dbraw/zinc/05/05/29/990050529.db2.gz OSPHYXMZVZZQCU-SFTDATJTSA-N 0 3 412.603 3.829 20 30 HHEDHN CN1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H]1c1ccccc1 ZINC000471956795 990121333 /nfs/dbraw/zinc/12/13/33/990121333.db2.gz GDULFOCPFIJWEI-NQIIRXRSSA-N 0 3 420.904 3.964 20 30 HHEDHN CN1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H]1c1ccccc1 ZINC000471957431 990122407 /nfs/dbraw/zinc/12/24/07/990122407.db2.gz VFLMFPKFEZXESX-NQIIRXRSSA-N 0 3 420.904 3.964 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000471969816 990135065 /nfs/dbraw/zinc/13/50/65/990135065.db2.gz KOVIHGXWJXLEKO-OAHLLOKOSA-N 0 3 401.486 3.585 20 30 HHEDHN COc1cc(CNCCc2cccc(C#N)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000466411574 991704226 /nfs/dbraw/zinc/70/42/26/991704226.db2.gz CMALRIPMEHSSBO-UHFFFAOYSA-N 0 3 409.364 3.748 20 30 HHEDHN C[C@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)CCN1Cc1ccccc1 ZINC000466614946 991931203 /nfs/dbraw/zinc/93/12/03/991931203.db2.gz ZPZNNDKHOIPSNN-IBGZPJMESA-N 0 3 407.518 3.892 20 30 HHEDHN Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000472239485 993267362 /nfs/dbraw/zinc/26/73/62/993267362.db2.gz MFSYHLXTRROIMB-UHFFFAOYSA-N 0 3 403.530 3.632 20 30 HHEDHN N#Cc1ccc(NC(=O)CCN2CCCC[C@H]2CNC(=O)c2ccccc2)cc1Cl ZINC000472272948 993294208 /nfs/dbraw/zinc/29/42/08/993294208.db2.gz FMIDSWVJPZZMLN-FQEVSTJZSA-N 0 3 424.932 3.825 20 30 HHEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)cc1 ZINC000473283074 994131148 /nfs/dbraw/zinc/13/11/48/994131148.db2.gz ORVSKIKNTQQRGT-UHFFFAOYSA-N 0 3 404.436 3.602 20 30 HHEDHN CCOC(=O)C[C@](C)(NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000481681526 994542090 /nfs/dbraw/zinc/54/20/90/994542090.db2.gz DWCSXIUUIMMIAD-NRFANRHFSA-N 0 3 405.564 3.785 20 30 HHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000482001563 994902844 /nfs/dbraw/zinc/90/28/44/994902844.db2.gz UJOFYRQVGNOVHQ-OAQYLSRUSA-N 0 3 413.518 3.795 20 30 HHEDHN COC(=O)c1ccc(COc2ccc(CNCc3cccc(C#N)c3)cc2OC)o1 ZINC000482201772 995182365 /nfs/dbraw/zinc/18/23/65/995182365.db2.gz XIKUUZREYKGATQ-UHFFFAOYSA-N 0 3 406.438 3.815 20 30 HHEDHN C=CCOc1ccc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000482695620 995686932 /nfs/dbraw/zinc/68/69/32/995686932.db2.gz SZPVUXVUMBGGBA-AVRDEDQJSA-N 0 3 402.441 3.600 20 30 HHEDHN CC(C)OCCN1CCC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000474878139 995772543 /nfs/dbraw/zinc/77/25/43/995772543.db2.gz ISNHXBRVIODFTF-UHFFFAOYSA-N 0 3 421.541 3.756 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000482932850 995861818 /nfs/dbraw/zinc/86/18/18/995861818.db2.gz PBQCEYILOWDSAG-QWFCFKBJSA-N 0 3 415.607 3.571 20 30 HHEDHN C=CCOc1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc1OC ZINC000475098733 995920420 /nfs/dbraw/zinc/92/04/20/995920420.db2.gz OGUXSJOYUALCHF-ROUUACIJSA-N 0 3 405.539 3.761 20 30 HHEDHN CCOC(=O)c1c2c(sc1NC(=O)c1ccnc(C#N)c1)C(C)(C)NC(C)(C)C2 ZINC000483045585 995938777 /nfs/dbraw/zinc/93/87/77/995938777.db2.gz JANPVJAPNFVJDC-UHFFFAOYSA-N 0 3 412.515 3.603 20 30 HHEDHN N#CC1(c2ccccc2)CCC(N[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000475424735 996129840 /nfs/dbraw/zinc/12/98/40/996129840.db2.gz PIJFERFSGKXGRS-OBXNSHGQSA-N 0 3 412.331 3.969 20 30 HHEDHN CCN1CCC[C@@H](CN(C)C(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000476013403 996541786 /nfs/dbraw/zinc/54/17/86/996541786.db2.gz QRCYIHGJZOWGAM-ZFGGDYGUSA-N 0 3 407.562 3.739 20 30 HHEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc2)CC1 ZINC000484138029 996592582 /nfs/dbraw/zinc/59/25/82/996592582.db2.gz CJXFKTZOEOSIMB-UHFFFAOYSA-N 0 3 403.530 3.615 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000476947433 997563451 /nfs/dbraw/zinc/56/34/51/997563451.db2.gz CUXBQIRPNYPHET-KRWDZBQOSA-N 0 3 410.484 3.624 20 30 HHEDHN CCN(C[C@H]1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1)CC(F)(F)F ZINC000477713456 998434882 /nfs/dbraw/zinc/43/48/82/998434882.db2.gz DPEGGOFGOHQRHK-SFANZJOMSA-N 0 3 416.532 3.512 20 30 HHEDHN Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000488479824 999501954 /nfs/dbraw/zinc/50/19/54/999501954.db2.gz BUFGXGYFCWCTAK-KKSFZXQISA-N 0 3 424.932 3.628 20 30 HHEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000488498067 999508374 /nfs/dbraw/zinc/50/83/74/999508374.db2.gz MXUDNYUCNMKHPL-MGPUTAFESA-N 0 3 417.431 3.951 20 30 HHEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[C@@H]2C1 ZINC000490402186 999951933 /nfs/dbraw/zinc/95/19/33/999951933.db2.gz PIEUAKUBNNMYRD-WMZHIEFXSA-N 0 3 404.514 3.890 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000490833807 1000013494 /nfs/dbraw/zinc/01/34/94/1000013494.db2.gz HMFQFQIJTIYMMB-UHFFFAOYSA-N 0 3 404.312 3.554 20 30 HHEDHN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000491146864 1000050213 /nfs/dbraw/zinc/05/02/13/1000050213.db2.gz PGUFLRXYVKDMHQ-FQEVSTJZSA-N 0 3 414.513 3.513 20 30 HHEDHN Cn1cc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491193779 1000053843 /nfs/dbraw/zinc/05/38/43/1000053843.db2.gz FAXKIHMWMHLYQP-UHFFFAOYSA-N 0 3 424.508 3.681 20 30 HHEDHN C[C@H]1[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CCN1Cc1ccccc1 ZINC000494019532 1000271413 /nfs/dbraw/zinc/27/14/13/1000271413.db2.gz USNXDYYTSRKLLY-WMZHIEFXSA-N 0 3 413.525 3.857 20 30 HHEDHN CCN1CCN(Cc2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)CC1 ZINC000505527530 1000873274 /nfs/dbraw/zinc/87/32/74/1000873274.db2.gz VEGNDIPHNVIWFK-UHFFFAOYSA-N 0 3 406.505 3.505 20 30 HHEDHN C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000505598373 1000927429 /nfs/dbraw/zinc/92/74/29/1000927429.db2.gz YUXZNBFVYCFGFY-XMSQKQJNSA-N 0 3 401.514 3.885 20 30 HHEDHN CCC(CC)c1nnc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000505774924 1001016457 /nfs/dbraw/zinc/01/64/57/1001016457.db2.gz ZVQXAHCDMPKTQN-UHFFFAOYSA-N 0 3 400.552 3.909 20 30 HHEDHN CN(CCC(=O)Nc1ccccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000505784984 1001022348 /nfs/dbraw/zinc/02/23/48/1001022348.db2.gz RRSOQPIIIRTFKE-QUCCMNQESA-N 0 3 404.297 3.784 20 30 HHEDHN CS[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000495671561 1001060213 /nfs/dbraw/zinc/06/02/13/1001060213.db2.gz ODTOOUSGBPCLDB-TZIWHRDSSA-N 0 3 411.596 3.968 20 30 HHEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(COc3ccccc3C#N)o2)o1 ZINC000497380897 1001322494 /nfs/dbraw/zinc/32/24/94/1001322494.db2.gz CKBXUBWXICSCKM-UHFFFAOYSA-N 0 3 407.470 3.836 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507341705 1002010601 /nfs/dbraw/zinc/01/06/01/1002010601.db2.gz QAGURQDGWMDXGX-SIKLNZKXSA-N 0 3 418.541 3.947 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000498840338 1002225951 /nfs/dbraw/zinc/22/59/51/1002225951.db2.gz YJUDPPHYKWIOAS-NRFANRHFSA-N 0 3 410.493 3.684 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000498926066 1002323781 /nfs/dbraw/zinc/32/37/81/1002323781.db2.gz AVSCWBDYFWXEMQ-AZUAARDMSA-N 0 3 420.561 3.814 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000498926066 1002323793 /nfs/dbraw/zinc/32/37/93/1002323793.db2.gz AVSCWBDYFWXEMQ-AZUAARDMSA-N 0 3 420.561 3.814 20 30 HHEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000507748880 1002324632 /nfs/dbraw/zinc/32/46/32/1002324632.db2.gz CFQRVYASWLHPJN-UHFFFAOYSA-N 0 3 420.513 3.623 20 30 HHEDHN C=C(C)COc1cc(CNCc2ccccc2N2CCN(C(C)=O)CC2)ccc1OC ZINC000508094238 1002618454 /nfs/dbraw/zinc/61/84/54/1002618454.db2.gz GIJOXNRHKWAQNI-UHFFFAOYSA-N 0 3 423.557 3.608 20 30 HHEDHN C=CCn1c(COCc2ccccc2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000508496829 1002979967 /nfs/dbraw/zinc/97/99/67/1002979967.db2.gz GSHYCGAUBAOUCD-UHFFFAOYSA-N 0 3 409.578 3.882 20 30 HHEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000508669777 1003109522 /nfs/dbraw/zinc/10/95/22/1003109522.db2.gz JPEDKVKDJJHSDN-ZBWQPJPKSA-N 0 3 410.562 3.681 20 30 HHEDHN C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000508724212 1003164829 /nfs/dbraw/zinc/16/48/29/1003164829.db2.gz OXXBUAUFEKHICH-UHFFFAOYSA-N 0 3 411.550 3.506 20 30 HHEDHN C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508896866 1003327825 /nfs/dbraw/zinc/32/78/25/1003327825.db2.gz VAMZOAKYTJXIQP-OALUTQOASA-N 0 3 413.566 3.748 20 30 HHEDHN C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508912975 1003352592 /nfs/dbraw/zinc/35/25/92/1003352592.db2.gz NRDATNPZVRSDNS-IBGZPJMESA-N 0 3 413.566 3.703 20 30 HHEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)c1 ZINC000508915196 1003354002 /nfs/dbraw/zinc/35/40/02/1003354002.db2.gz VIYWLAZTCHIVQF-XMMPIXPASA-N 0 3 419.525 3.967 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)n1Cc1ccccn1 ZINC000508950086 1003406027 /nfs/dbraw/zinc/40/60/27/1003406027.db2.gz MCOKBJYJSMUDBY-UHFFFAOYSA-N 0 3 415.541 3.624 20 30 HHEDHN Cc1cc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)nn1-c1cccc(C#N)c1 ZINC000508991642 1003463172 /nfs/dbraw/zinc/46/31/72/1003463172.db2.gz AJPQEQDFCXBZAM-UHFFFAOYSA-N 0 3 413.525 3.789 20 30 HHEDHN C=CCn1c(CC(C)(C)C)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508994775 1003466243 /nfs/dbraw/zinc/46/62/43/1003466243.db2.gz JGESOVNHKFXIRK-KDURUIRLSA-N 0 3 403.615 3.768 20 30 HHEDHN COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCCN(c2ccccc2C#N)CC1 ZINC000509093953 1003547968 /nfs/dbraw/zinc/54/79/68/1003547968.db2.gz AQFRUWXWWFSTFB-UHFFFAOYSA-N 0 3 419.481 3.812 20 30 HHEDHN COc1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1OCCCC#N ZINC000509557224 1003943985 /nfs/dbraw/zinc/94/39/85/1003943985.db2.gz MMTOPZWGNOGPMD-IBGZPJMESA-N 0 3 413.562 3.848 20 30 HHEDHN C[C@@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H](c1ccccc1)N(C)C ZINC000500897295 1004036029 /nfs/dbraw/zinc/03/60/29/1004036029.db2.gz XECQZWYPRRAKNW-IWKILKBESA-N 0 3 421.545 3.634 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510099394 1004323104 /nfs/dbraw/zinc/32/31/04/1004323104.db2.gz OLTYBZMKNKGTEW-DYESRHJHSA-N 0 3 420.557 3.625 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510099394 1004323111 /nfs/dbraw/zinc/32/31/11/1004323111.db2.gz OLTYBZMKNKGTEW-DYESRHJHSA-N 0 3 420.557 3.625 20 30 HHEDHN N#Cc1cc(F)cc(C2(C(=O)NCC3(N4CCSCC4)CCCCC3)CC2)c1 ZINC000512688479 1004494863 /nfs/dbraw/zinc/49/48/63/1004494863.db2.gz AFAURVYFDNQDIM-UHFFFAOYSA-N 0 3 401.551 3.597 20 30 HHEDHN Cc1ccc(C)c(OC[C@H](O)CN2CCC(Oc3ccc(C#N)cc3F)CC2)c1C ZINC000512812721 1004574990 /nfs/dbraw/zinc/57/49/90/1004574990.db2.gz YERVNVGRQCKCIR-HXUWFJFHSA-N 0 3 412.505 3.906 20 30 HHEDHN CC(C)(C)c1ccc(Oc2ccc(CNCCn3cnc(C#N)n3)cc2[N+](=O)[O-])cc1 ZINC000512857353 1004619301 /nfs/dbraw/zinc/61/93/01/1004619301.db2.gz RCCGVNYNBKLWTK-UHFFFAOYSA-N 0 3 420.473 3.938 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(Br)c(F)c1 ZINC000501849780 1004774735 /nfs/dbraw/zinc/77/47/35/1004774735.db2.gz OKHHZHZCMHRXGF-UHFFFAOYSA-N 0 3 418.310 3.593 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1C#N ZINC000513575109 1005031340 /nfs/dbraw/zinc/03/13/40/1005031340.db2.gz UJHMUXVHCXEIAC-SFHVURJKSA-N 0 3 406.555 3.947 20 30 HHEDHN Cc1cc(NC(=O)N(C[C@@H](C)C#N)C2CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000513705153 1005089783 /nfs/dbraw/zinc/08/97/83/1005089783.db2.gz OBSXWNMBOFTTOG-LAUBAEHRSA-N 0 3 406.534 3.795 20 30 HHEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000511255294 1005094547 /nfs/dbraw/zinc/09/45/47/1005094547.db2.gz WNYIJQNWPJDZOO-CQSZACIVSA-N 0 3 410.331 3.936 20 30 HHEDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529531 1005104726 /nfs/dbraw/zinc/10/47/26/1005104726.db2.gz OIYMSIXZNFVJKD-UHFFFAOYSA-N 0 3 406.442 3.593 20 30 HHEDHN CCCC(=O)Nc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000503169296 1005361087 /nfs/dbraw/zinc/36/10/87/1005361087.db2.gz UHEQTGJTVXADPA-UHFFFAOYSA-N 0 3 421.545 3.570 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc(OCc4ccncc4)cc3)C2=O)cc1 ZINC000503926545 1005513507 /nfs/dbraw/zinc/51/35/07/1005513507.db2.gz JRDOADODBIBYQX-DEOSSOPVSA-N 0 3 412.493 3.817 20 30 HHEDHN Cc1[nH]c(=O)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1-c1ccccc1 ZINC000531175868 1006029239 /nfs/dbraw/zinc/02/92/39/1006029239.db2.gz JJZGYIAGXFXHFB-UHFFFAOYSA-N 0 3 414.509 3.838 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1noc(Cc2ccccc2)n1 ZINC000531408522 1006177995 /nfs/dbraw/zinc/17/79/95/1006177995.db2.gz QMUDUEDCHKXPAG-UHFFFAOYSA-N 0 3 424.574 3.759 20 30 HHEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(Br)c1 ZINC000534357510 1006318449 /nfs/dbraw/zinc/31/84/49/1006318449.db2.gz CWYYLAIRWYUESF-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN CN(C)[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000534523624 1006518409 /nfs/dbraw/zinc/51/84/09/1006518409.db2.gz DVYNMAALIXKJNZ-HXUWFJFHSA-N 0 3 403.482 3.633 20 30 HHEDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C2)CC1 ZINC000532088984 1006624412 /nfs/dbraw/zinc/62/44/12/1006624412.db2.gz SBTONQSMEVJPTF-QFIPXVFZSA-N 0 3 418.541 3.591 20 30 HHEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C2)CC1 ZINC000532088978 1006624741 /nfs/dbraw/zinc/62/47/41/1006624741.db2.gz SBTONQSMEVJPTF-JOCHJYFZSA-N 0 3 418.541 3.591 20 30 HHEDHN Cc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1CCO[C@@H]1CCCCO1 ZINC000534673970 1006652054 /nfs/dbraw/zinc/65/20/54/1006652054.db2.gz CBMWQOIZWSPDMA-MAUKXSAKSA-N 0 3 422.407 3.639 20 30 HHEDHN CN1CC[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000534681366 1006659297 /nfs/dbraw/zinc/65/92/97/1006659297.db2.gz VUCOSGMTOILKNV-PKTZIBPZSA-N 0 3 404.514 3.556 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1-c1ccccc1Cl ZINC000538445634 1006712829 /nfs/dbraw/zinc/71/28/29/1006712829.db2.gz FEFSQCXAPAHMTR-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000516277067 1006991789 /nfs/dbraw/zinc/99/17/89/1006991789.db2.gz BZQKKKYWOLLDPX-ZWKOTPCHSA-N 0 3 420.513 3.526 20 30 HHEDHN COC(=O)CC1(NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCCC1 ZINC000533068114 1007431079 /nfs/dbraw/zinc/43/10/79/1007431079.db2.gz KKXSFTQOHYFGBH-INIZCTEOSA-N 0 3 403.548 3.875 20 30 HHEDHN C[C@@H](N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)(C)C ZINC000533250282 1007568220 /nfs/dbraw/zinc/56/82/20/1007568220.db2.gz QESAGRUOFXPFIC-SJORKVTESA-N 0 3 400.567 3.722 20 30 HHEDHN CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000539276968 1007571194 /nfs/dbraw/zinc/57/11/94/1007571194.db2.gz SEEIURSXXBKFSD-JXFKEZNVSA-N 0 3 411.477 3.973 20 30 HHEDHN C=CCN1CCC(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000517340801 1007579556 /nfs/dbraw/zinc/57/95/56/1007579556.db2.gz CAZKMLOCVBRWHI-UHFFFAOYSA-N 0 3 400.350 3.538 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCC(CCc3cc(OC)cc(OC)c3)CC2)CC1 ZINC000517341588 1007580857 /nfs/dbraw/zinc/58/08/57/1007580857.db2.gz RILANQTTYBNWJW-UHFFFAOYSA-N 0 3 415.578 3.708 20 30 HHEDHN C[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000539289114 1007586410 /nfs/dbraw/zinc/58/64/10/1007586410.db2.gz QHMRPDXVJWQJCV-LSDHHAIUSA-N 0 3 405.527 3.972 20 30 HHEDHN C=CCC[C@@H](NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000539359229 1007659955 /nfs/dbraw/zinc/65/99/55/1007659955.db2.gz IFACWRVCOWYSBA-JOCHJYFZSA-N 0 3 406.530 3.660 20 30 HHEDHN CN(CCC(=O)N(C)CCC#N)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000535666184 1007684078 /nfs/dbraw/zinc/68/40/78/1007684078.db2.gz PYZHTKCPEIDQSH-UHFFFAOYSA-N 0 3 401.514 3.733 20 30 HHEDHN CCCNC(=O)C1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533419784 1007730307 /nfs/dbraw/zinc/73/03/07/1007730307.db2.gz QHSUXJQQJAVKGG-UHFFFAOYSA-N 0 3 421.541 3.884 20 30 HHEDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(OCc3cccc(C#N)c3)c(OC)c1)CC2 ZINC000533434674 1007748156 /nfs/dbraw/zinc/74/81/56/1007748156.db2.gz LXBHOVAMRHVJLU-OAQYLSRUSA-N 0 3 420.509 3.921 20 30 HHEDHN CCc1ccc(C(C)(C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cc1 ZINC000539491336 1007802129 /nfs/dbraw/zinc/80/21/29/1007802129.db2.gz NXGHWCOUBIPSOI-FQEVSTJZSA-N 0 3 410.587 3.544 20 30 HHEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1-c1ccccn1 ZINC000533641309 1007948007 /nfs/dbraw/zinc/94/80/07/1007948007.db2.gz DENIJSPZIDVKFZ-UHFFFAOYSA-N 0 3 414.509 3.833 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N1CCCC[C@H]1C ZINC000517853106 1008013628 /nfs/dbraw/zinc/01/36/28/1008013628.db2.gz LUKBZKNRLSVHFP-MSOLQXFVSA-N 0 3 420.513 3.668 20 30 HHEDHN COCc1cccc2sc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)nc21 ZINC000517905218 1008048632 /nfs/dbraw/zinc/04/86/32/1008048632.db2.gz ZVYJQXVJLJDQTJ-UHFFFAOYSA-N 0 3 423.542 3.910 20 30 HHEDHN C=CCN(Cc1c[nH]nc1-c1ccc(OC)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831542 1008125278 /nfs/dbraw/zinc/12/52/78/1008125278.db2.gz AVLXICKZSKWGRF-KRWDZBQOSA-N 0 3 415.501 3.810 20 30 HHEDHN C=CCc1cc(CN(CC=C)[C@@H](C)c2cccc(-n3cnnn3)c2)cc(OC)c1O ZINC000539832781 1008126204 /nfs/dbraw/zinc/12/62/04/1008126204.db2.gz ZOBNIQFKOVAMNE-KRWDZBQOSA-N 0 3 405.502 3.854 20 30 HHEDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)sc1Br ZINC000533900374 1008192847 /nfs/dbraw/zinc/19/28/47/1008192847.db2.gz HJBOGMNXPRTNOA-UHFFFAOYSA-N 0 3 422.348 3.595 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)N1CCCC1 ZINC000518462961 1008317899 /nfs/dbraw/zinc/31/78/99/1008317899.db2.gz DWTMIOOPXFCZRH-UZLBHIALSA-N 0 3 424.932 3.534 20 30 HHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000518750145 1008413554 /nfs/dbraw/zinc/41/35/54/1008413554.db2.gz HCDVOQWBLGXLNC-SFHVURJKSA-N 0 3 424.570 3.610 20 30 HHEDHN CC(C)COc1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000543092427 1008668816 /nfs/dbraw/zinc/66/88/16/1008668816.db2.gz CKAJZJRQYXXEFZ-UHFFFAOYSA-N 0 3 414.937 3.845 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)CC1 ZINC000519286597 1008697880 /nfs/dbraw/zinc/69/78/80/1008697880.db2.gz DWODJQOXORJRCJ-UHFFFAOYSA-N 0 3 413.562 3.957 20 30 HHEDHN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000549303300 1008879118 /nfs/dbraw/zinc/87/91/18/1008879118.db2.gz QLJHRSJASQQVQN-FDFHNCONSA-N 0 3 409.578 3.876 20 30 HHEDHN N#CC(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccncn1 ZINC000546152523 1009184185 /nfs/dbraw/zinc/18/41/85/1009184185.db2.gz GFBZWJRWFZMMKY-ZDUSSCGKSA-N 0 3 419.281 3.849 20 30 HHEDHN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000549693090 1009322987 /nfs/dbraw/zinc/32/29/87/1009322987.db2.gz HAFSLUAADYKUOX-OAQYLSRUSA-N 0 3 401.599 3.526 20 30 HHEDHN Cc1nn(-c2ccccc2)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000543766021 1009337520 /nfs/dbraw/zinc/33/75/20/1009337520.db2.gz TWVKUQDBYHGEIU-UHFFFAOYSA-N 0 3 402.502 3.648 20 30 HHEDHN CC(C)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2ccncc2)no1 ZINC000543770863 1009340077 /nfs/dbraw/zinc/34/00/77/1009340077.db2.gz MDHPZSRCDUDEKM-QFIPXVFZSA-N 0 3 416.529 3.955 20 30 HHEDHN C[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870692 1009438769 /nfs/dbraw/zinc/43/87/69/1009438769.db2.gz JLGDVFLXJPLMEG-SFHVURJKSA-N 0 3 405.523 3.854 20 30 HHEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C[C@H]1CC=CCC1 ZINC000544106513 1009716905 /nfs/dbraw/zinc/71/69/05/1009716905.db2.gz OGXYTXRBFOAYOZ-RBUKOAKNSA-N 0 3 410.562 3.644 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000520744499 1009813853 /nfs/dbraw/zinc/81/38/53/1009813853.db2.gz HGCOMZJZSIJVHI-UHFFFAOYSA-N 0 3 403.486 3.582 20 30 HHEDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000550678688 1010096944 /nfs/dbraw/zinc/09/69/44/1010096944.db2.gz OWYYYIYXJMQKJX-KNMUDHKVSA-N 0 3 418.875 3.852 20 30 HHEDHN N#C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1cccc(Cl)c1Cl ZINC000521293552 1010284593 /nfs/dbraw/zinc/28/45/93/1010284593.db2.gz XXOCQVHWOLLMJH-YJBOKZPZSA-N 0 3 403.313 3.981 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCc3cc(OCC)c(OCC)cc3C2)CC1 ZINC000521584297 1010481498 /nfs/dbraw/zinc/48/14/98/1010481498.db2.gz IUVRLRYBTPCTKA-UHFFFAOYSA-N 0 3 401.551 3.592 20 30 HHEDHN N#CC(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nnc2n1CCCCC2 ZINC000521795757 1010624497 /nfs/dbraw/zinc/62/44/97/1010624497.db2.gz SCBKXUUPVNXBLG-CQSZACIVSA-N 0 3 415.284 3.987 20 30 HHEDHN C=C(C)COc1cc(CN[C@H](CN2CCN(C)CC2)c2ccccc2)ccc1OC ZINC000521832876 1010645546 /nfs/dbraw/zinc/64/55/46/1010645546.db2.gz KXILFXFUAFWEAD-HSZRJFAPSA-N 0 3 409.574 3.728 20 30 HHEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000522842412 1011279736 /nfs/dbraw/zinc/27/97/36/1011279736.db2.gz VFTPJVVVVXQGBZ-QFIPXVFZSA-N 0 3 408.502 3.925 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000540826431 1011490411 /nfs/dbraw/zinc/49/04/11/1011490411.db2.gz GEJYZALNKXEBRC-JOCHJYFZSA-N 0 3 424.520 3.934 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC000540981647 1011616807 /nfs/dbraw/zinc/61/68/07/1011616807.db2.gz MZFGEZQHINOATC-OAQYLSRUSA-N 0 3 418.476 3.842 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)CC1 ZINC000536764965 1011965402 /nfs/dbraw/zinc/96/54/02/1011965402.db2.gz YNCSHRVXSHHBFL-UHFFFAOYSA-N 0 3 402.589 3.898 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000536942840 1012239518 /nfs/dbraw/zinc/23/95/18/1012239518.db2.gz XBUVUSLTBZHVGZ-PMACEKPBSA-N 0 3 408.949 3.564 20 30 HHEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000523716810 1012325479 /nfs/dbraw/zinc/32/54/79/1012325479.db2.gz DUNBWSRDDLOFNM-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C3CCC(C)CC3)CC2)cc1 ZINC000523760143 1012387586 /nfs/dbraw/zinc/38/75/86/1012387586.db2.gz FARWPBWEUBBOQW-UHFFFAOYSA-N 0 3 412.578 3.528 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000523763796 1012392196 /nfs/dbraw/zinc/39/21/96/1012392196.db2.gz WDMUYCUIUIHREF-UHFFFAOYSA-N 0 3 406.368 3.820 20 30 HHEDHN CC(C)[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000537173073 1012578614 /nfs/dbraw/zinc/57/86/14/1012578614.db2.gz ZWGKAQHTJJVDQB-ISKFKSNPSA-N 0 3 408.521 3.521 20 30 HHEDHN N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1 ZINC000552586110 1012592144 /nfs/dbraw/zinc/59/21/44/1012592144.db2.gz XYLGXWIXWHEDCY-UHFFFAOYSA-N 0 3 404.514 3.589 20 30 HHEDHN N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H](c3cccs3)N3CCCC3)C2)c(F)c1 ZINC000552707794 1012719080 /nfs/dbraw/zinc/71/90/80/1012719080.db2.gz RZLFQRHSIIIGLZ-XLIONFOSSA-N 0 3 412.534 3.538 20 30 HHEDHN CC[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000537289584 1012746634 /nfs/dbraw/zinc/74/66/34/1012746634.db2.gz IAZIPMRYDRRBEU-RBUKOAKNSA-N 0 3 416.978 3.851 20 30 HHEDHN CC(C)C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nc(-c2nc[n-]n2)no1 ZINC000537361322 1012831752 /nfs/dbraw/zinc/83/17/52/1012831752.db2.gz WUMQGSNYWIUBCI-DKTYTTGXSA-N 0 3 405.506 3.936 20 30 HHEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)o1 ZINC000524129791 1012911395 /nfs/dbraw/zinc/91/13/95/1012911395.db2.gz NJYKQUNLZJSMRU-UHFFFAOYSA-N 0 3 407.470 3.836 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000542025177 1012918940 /nfs/dbraw/zinc/91/89/40/1012918940.db2.gz ANZLNJPBTJEMJQ-IBGZPJMESA-N 0 3 411.468 3.829 20 30 HHEDHN C[C@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542025958 1012919957 /nfs/dbraw/zinc/91/99/57/1012919957.db2.gz PHYRCQXBOVMAMF-FQEVSTJZSA-N 0 3 419.573 3.613 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1-c1cc(C)cc(C)c1 ZINC000537433764 1012922512 /nfs/dbraw/zinc/92/25/12/1012922512.db2.gz FJGGHPKPUCTKIP-UHFFFAOYSA-N 0 3 415.541 3.873 20 30 HHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC(C)(C)[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000570889474 1072402874 /nfs/dbraw/zinc/40/28/74/1072402874.db2.gz XWHBWKWKEJNRQT-LIVBEALHSA-N 0 3 401.576 3.963 20 30 HHEDHN C=CCc1ccc(OCC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c(OC)c1 ZINC001126870038 1072859152 /nfs/dbraw/zinc/85/91/52/1072859152.db2.gz QKIJZLXFRJIGKM-QFIPXVFZSA-N 0 3 408.542 3.926 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000554903802 1072938315 /nfs/dbraw/zinc/93/83/15/1072938315.db2.gz LYGXLSQYAMHWOR-LJQANCHMSA-N 0 3 400.910 3.680 20 30 HHEDHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)N(C)C)cc1 ZINC000588664860 1073082148 /nfs/dbraw/zinc/08/21/48/1073082148.db2.gz CYHPSNYTFFMRHZ-GOTSBHOMSA-N 0 3 406.530 3.935 20 30 HHEDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000572051046 1073123702 /nfs/dbraw/zinc/12/37/02/1073123702.db2.gz YAYXAZWEXJLGBM-QTJFZDIUSA-N 0 3 400.885 3.713 20 30 HHEDHN C=CCn1c(SC[C@@H](O)CN(C)Cc2ccccc2)nnc1-c1ccccc1F ZINC000588689967 1073139478 /nfs/dbraw/zinc/13/94/78/1073139478.db2.gz UJVRVRKFNUPDMJ-SFHVURJKSA-N 0 3 412.534 3.855 20 30 HHEDHN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@H]4CN(C)C[C@@H]43)sc2C1 ZINC000590010630 1073449212 /nfs/dbraw/zinc/44/92/12/1073449212.db2.gz RFPZIQRMBSCZDI-FCEWJHQRSA-N 0 3 414.619 3.735 20 30 HHEDHN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000573606693 1074566677 /nfs/dbraw/zinc/56/66/77/1074566677.db2.gz FNUCMEXJWGYRNT-UHFFFAOYSA-N 0 3 423.524 3.587 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CC1 ZINC000592515737 1074778005 /nfs/dbraw/zinc/77/80/05/1074778005.db2.gz QQWMUSUGAFZIHS-UHFFFAOYSA-N 0 3 403.530 3.534 20 30 HHEDHN C=CCN1CCC(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1 ZINC000592876447 1075129420 /nfs/dbraw/zinc/12/94/20/1075129420.db2.gz HBNUGZUFHKUVIF-UHFFFAOYSA-N 0 3 404.580 3.579 20 30 HHEDHN C=CCN(Cc1cnc2c(cnn2C(C)C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213444 1075544512 /nfs/dbraw/zinc/54/45/12/1075544512.db2.gz OUUDBGDTFTUGSZ-KRWDZBQOSA-N 0 3 402.506 3.737 20 30 HHEDHN C=CCN(Cc1cccc(C(=O)NCC(C)C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213368 1075544951 /nfs/dbraw/zinc/54/49/51/1075544951.db2.gz FDGIWFRHWVFYFW-IBGZPJMESA-N 0 3 418.545 3.797 20 30 HHEDHN N#Cc1c(Cl)c2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870214 721135819 /nfs/dbraw/zinc/13/58/19/721135819.db2.gz BWAOVBJTJWVCTQ-MSOLQXFVSA-N 0 3 419.916 3.635 20 30 HHEDHN N#Cc1cnc2ccccc2c1N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000301407552 970913098 /nfs/dbraw/zinc/91/30/98/970913098.db2.gz MTWSVZBWIGDSLM-HXUWFJFHSA-N 0 3 412.541 3.540 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)C[C@@H](C)O1 ZINC000301517299 970964144 /nfs/dbraw/zinc/96/41/44/970964144.db2.gz CFJMXBNMCXCJIG-IAGOWNOFSA-N 0 3 423.517 3.730 20 30 HHEDHN N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](c4nc(C5CCCCC5)n[nH]4)C3)C2=O)cc1 ZINC000537561608 1013092277 /nfs/dbraw/zinc/09/22/77/1013092277.db2.gz HOSOZTADUNOYBA-CTNGQTDRSA-N 0 3 418.545 3.709 20 30 HHEDHN N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)C2=O)cc1 ZINC000537561608 1013092293 /nfs/dbraw/zinc/09/22/93/1013092293.db2.gz HOSOZTADUNOYBA-CTNGQTDRSA-N 0 3 418.545 3.709 20 30 HHEDHN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000303523546 971823944 /nfs/dbraw/zinc/82/39/44/971823944.db2.gz PXTGHYILRTVZIH-HNNXBMFYSA-N 0 3 403.885 3.708 20 30 HHEDHN C=CCN(Cc1c[nH]nc1-c1ccccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630333 1013184110 /nfs/dbraw/zinc/18/41/10/1013184110.db2.gz QAHRYNXSVLEDPQ-INIZCTEOSA-N 0 3 403.465 3.941 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000542308547 1013266573 /nfs/dbraw/zinc/26/65/73/1013266573.db2.gz GHSZSIHGXIWVMO-FYYLOGMGSA-N 0 3 410.493 3.591 20 30 HHEDHN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000553364105 1013304030 /nfs/dbraw/zinc/30/40/30/1013304030.db2.gz FBZDCXFAPGQZGU-ZWKOTPCHSA-N 0 3 405.477 3.997 20 30 HHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2CS(=O)(=O)NC(C)C)c([O-])c1 ZINC000017701590 963220534 /nfs/dbraw/zinc/22/05/34/963220534.db2.gz NIJABMWMSFJDLW-HZHRSRAPSA-N 0 3 417.575 3.685 20 30 HHEDHN CCc1ccc2c(CN3CCCN(Cc4ccc(C#N)cc4)CC3)cc(=O)oc2c1 ZINC000022819143 963722796 /nfs/dbraw/zinc/72/27/96/963722796.db2.gz YRTJTQVCHQCRET-UHFFFAOYSA-N 0 3 401.510 3.935 20 30 HHEDHN N#CC(C(=O)c1ccccc1S(=O)(=O)N1CCCCC1)c1ccc2ccccc2n1 ZINC000048853954 964079000 /nfs/dbraw/zinc/07/90/00/964079000.db2.gz JAQATEPXHGTJLC-IBGZPJMESA-N 0 3 419.506 3.899 20 30 HHEDHN N#Cc1ccc(CN2CCCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000025303798 964235541 /nfs/dbraw/zinc/23/55/41/964235541.db2.gz FETBRQYPQGMXKC-VWLOTQADSA-N 0 3 415.537 3.659 20 30 HHEDHN C=CCc1ccc(OCC(=O)NCC(C)(C)N2CCc3ccccc3C2)c(OC)c1 ZINC000025897988 964386912 /nfs/dbraw/zinc/38/69/12/964386912.db2.gz NXLIPVMMJUZXCX-UHFFFAOYSA-N 0 3 408.542 3.756 20 30 HHEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C1CC1)C1CCC(C)CC1 ZINC000052104079 964809065 /nfs/dbraw/zinc/80/90/65/964809065.db2.gz JSTIXYBOXYCVHT-UHFFFAOYSA-N 0 3 400.567 3.995 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000052485691 964916024 /nfs/dbraw/zinc/91/60/24/964916024.db2.gz MAFATDHNRVSUTP-IPMKNSEASA-N 0 3 419.639 3.668 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056805424 966472724 /nfs/dbraw/zinc/47/27/24/966472724.db2.gz DATMLLWLDVBFOM-HXUWFJFHSA-N 0 3 412.921 3.809 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 ZINC000061774834 966547613 /nfs/dbraw/zinc/54/76/13/966547613.db2.gz XVKUJJRYRKCZSS-QFIPXVFZSA-N 0 3 406.530 3.869 20 30 HHEDHN COc1ccccc1C(C)(C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000063408444 966847176 /nfs/dbraw/zinc/84/71/76/966847176.db2.gz BOSHMCMPHIIHPZ-UHFFFAOYSA-N 0 3 408.546 3.618 20 30 HHEDHN C=C(C)CNC(=S)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000044139588 967134375 /nfs/dbraw/zinc/13/43/75/967134375.db2.gz HWJQLXKEKBOMKZ-UHFFFAOYSA-N 0 3 414.541 3.648 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC000044566380 967241458 /nfs/dbraw/zinc/24/14/58/967241458.db2.gz NCZBVNAXRUTVCI-UHFFFAOYSA-N 0 3 413.525 3.925 20 30 HHEDHN C=CCC[C@@H](NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000538193416 1013750514 /nfs/dbraw/zinc/75/05/14/1013750514.db2.gz CGANNDCNKHSORX-HSZRJFAPSA-N 0 3 411.590 3.925 20 30 HHEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000046613382 967882465 /nfs/dbraw/zinc/88/24/65/967882465.db2.gz HYVNILYTLYGYEX-MRXNPFEDSA-N 0 3 416.472 3.994 20 30 HHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H](CO)C2CCCCC2)c1C#N ZINC000542913878 1013753533 /nfs/dbraw/zinc/75/35/33/1013753533.db2.gz PYDOGHDTAQIGMR-OAQYLSRUSA-N 0 3 400.567 3.951 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1F ZINC000047011214 968031388 /nfs/dbraw/zinc/03/13/88/968031388.db2.gz FDQLJTWQYNFDFA-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)n1CC(F)(F)F ZINC000047011451 968031716 /nfs/dbraw/zinc/03/17/16/968031716.db2.gz PPJRFIKIBOSLOH-UHFFFAOYSA-N 0 3 406.452 3.743 20 30 HHEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)c2ccc(-n3ccnn3)cc2)ccc1Cl ZINC000538229977 1013779464 /nfs/dbraw/zinc/77/94/64/1013779464.db2.gz WGPXRIAZTMFRJX-KRWDZBQOSA-N 0 3 422.920 3.827 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000047950839 968376776 /nfs/dbraw/zinc/37/67/76/968376776.db2.gz QEWYKGYWHSMNON-LJQANCHMSA-N 0 3 414.600 3.989 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccsc2)N(CC)CC)cc1 ZINC000048160227 968462679 /nfs/dbraw/zinc/46/26/79/968462679.db2.gz MGFWUYKMQKYNBZ-LJQANCHMSA-N 0 3 400.548 3.869 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000065798628 968649664 /nfs/dbraw/zinc/64/96/64/968649664.db2.gz LARBHDFYRUBGMS-UHFFFAOYSA-N 0 3 406.515 3.672 20 30 HHEDHN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930372 968720383 /nfs/dbraw/zinc/72/03/83/968720383.db2.gz XVTJIMFNZNLCGE-KRWDZBQOSA-N 0 3 424.570 3.588 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000065930957 968721525 /nfs/dbraw/zinc/72/15/25/968721525.db2.gz KVBBUZJFTQWMPE-UHFFFAOYSA-N 0 3 408.483 3.885 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072032469 968944969 /nfs/dbraw/zinc/94/49/69/968944969.db2.gz PBDVDPBYAHILDF-UHFFFAOYSA-N 0 3 401.854 3.716 20 30 HHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000097261687 969111772 /nfs/dbraw/zinc/11/17/72/969111772.db2.gz TXCQKDKAWXUUSW-KPZWWZAWSA-N 0 3 410.886 3.906 20 30 HHEDHN Cc1ccccc1-c1noc(=O)n1CC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000097568630 969162958 /nfs/dbraw/zinc/16/29/58/969162958.db2.gz MZEOIYALAZNCFV-QGZVFWFLSA-N 0 3 416.462 3.812 20 30 HHEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnn(Cc3ccccc3Cl)c2)c1 ZINC000105261471 969226977 /nfs/dbraw/zinc/22/69/77/969226977.db2.gz GNOGLINCHXZNIE-GOSISDBHSA-N 0 3 408.845 3.555 20 30 HHEDHN C=CCc1ccc(OCC(=O)N2CCCN(Cc3ccccc3C)CC2)c(OC)c1 ZINC000106154955 969295277 /nfs/dbraw/zinc/29/52/77/969295277.db2.gz DNQPQPGYYLCYIK-UHFFFAOYSA-N 0 3 408.542 3.845 20 30 HHEDHN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000108269456 969369118 /nfs/dbraw/zinc/36/91/18/969369118.db2.gz UBNUXEHKEGASEE-KRWDZBQOSA-N 0 3 424.570 3.588 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000109503959 969526020 /nfs/dbraw/zinc/52/60/20/969526020.db2.gz FVFYZDQABBYQME-QFIPXVFZSA-N 0 3 421.541 3.988 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000109503957 969526315 /nfs/dbraw/zinc/52/63/15/969526315.db2.gz FVFYZDQABBYQME-JOCHJYFZSA-N 0 3 421.541 3.988 20 30 HHEDHN C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1 ZINC000109897722 969588894 /nfs/dbraw/zinc/58/88/94/969588894.db2.gz HWCMFSCDCFOUSH-UHFFFAOYSA-N 0 3 421.545 3.777 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000115881491 969858945 /nfs/dbraw/zinc/85/89/45/969858945.db2.gz UZWVWTKVUWCDGR-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)CC1 ZINC000216943482 970082137 /nfs/dbraw/zinc/08/21/37/970082137.db2.gz NVHNJHBJGRVKLZ-UHFFFAOYSA-N 0 3 409.559 3.776 20 30 HHEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)ccc1OC ZINC000236896000 970186232 /nfs/dbraw/zinc/18/62/32/970186232.db2.gz KVBPAZZZRFZNOG-LJQANCHMSA-N 0 3 413.493 3.642 20 30 HHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000237009342 970206640 /nfs/dbraw/zinc/20/66/40/970206640.db2.gz ZJSZBMAQJFLHLW-GOSISDBHSA-N 0 3 400.544 3.580 20 30 HHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000237013047 970206653 /nfs/dbraw/zinc/20/66/53/970206653.db2.gz ZJSZBMAQJFLHLW-SFHVURJKSA-N 0 3 400.544 3.580 20 30 HHEDHN CS(=O)(=O)Cc1ccccc1CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000237346711 970267711 /nfs/dbraw/zinc/26/77/11/970267711.db2.gz ARQPIZGCFDHVQF-UHFFFAOYSA-N 0 3 420.534 3.972 20 30 HHEDHN CS(=O)(=O)Cc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000237356284 970269030 /nfs/dbraw/zinc/26/90/30/970269030.db2.gz QBBUSJRSLZFTPO-UHFFFAOYSA-N 0 3 420.534 3.972 20 30 HHEDHN C[C@H]1CN(C(=O)c2ccc(CNCc3cccc(OCCCC#N)c3)cc2)C[C@H](C)O1 ZINC000237548806 970311074 /nfs/dbraw/zinc/31/10/74/970311074.db2.gz JAUPXMURZBAXMO-PMACEKPBSA-N 0 3 421.541 3.908 20 30 HHEDHN C#CCCOc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000237658480 970332243 /nfs/dbraw/zinc/33/22/43/970332243.db2.gz ASZCEKLNUJBKPF-WOJBJXKFSA-N 0 3 406.526 3.628 20 30 HHEDHN N#CCCn1cc(CNCc2ccccc2CN2CCCC2=O)c(-c2ccccc2)n1 ZINC000238056261 970429765 /nfs/dbraw/zinc/42/97/65/970429765.db2.gz FWIAGSZGOWOMBB-UHFFFAOYSA-N 0 3 413.525 3.876 20 30 HHEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000426176451 974286919 /nfs/dbraw/zinc/28/69/19/974286919.db2.gz MWHLXKCODAOJNV-GJZGRUSLSA-N 0 3 417.575 3.737 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000426957626 974778402 /nfs/dbraw/zinc/77/84/02/974778402.db2.gz UHNHNVPBNGSYFN-ZEQRLZLVSA-N 0 3 420.557 3.769 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000426957625 974778440 /nfs/dbraw/zinc/77/84/40/974778440.db2.gz UHNHNVPBNGSYFN-RPWUZVMVSA-N 0 3 420.557 3.769 20 30 HHEDHN N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(CN4CC[C@@H](O)C4)c3)cc2)nc1 ZINC000428531250 975825221 /nfs/dbraw/zinc/82/52/21/975825221.db2.gz FKEDKPSXSOZJCG-OAQYLSRUSA-N 0 3 414.465 3.564 20 30 HHEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000428701634 975992576 /nfs/dbraw/zinc/99/25/76/975992576.db2.gz RVXZDPXXGIUDBR-FQEVSTJZSA-N 0 3 409.534 3.527 20 30 HHEDHN N#CCC[C@@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000428963127 976251850 /nfs/dbraw/zinc/25/18/50/976251850.db2.gz CBYNAJORJONLNJ-XZOQPEGZSA-N 0 3 406.530 3.622 20 30 HHEDHN C=CCOc1cccc(NC(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000429054936 976341946 /nfs/dbraw/zinc/34/19/46/976341946.db2.gz KZWOZIMZNPABDX-RTBURBONSA-N 0 3 401.551 3.995 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CC1 ZINC000429702525 976994852 /nfs/dbraw/zinc/99/48/52/976994852.db2.gz LKADWQRPQJIHEZ-UHFFFAOYSA-N 0 3 405.905 3.886 20 30 HHEDHN C[C@H]1C[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CN1Cc1ccccc1 ZINC000429810845 977085796 /nfs/dbraw/zinc/08/57/96/977085796.db2.gz CBHLXESZZTXDLK-SIKLNZKXSA-N 0 3 413.525 3.857 20 30 HHEDHN C=CCN1C(=O)N(C[C@@H](c2ccccc2)N2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430949319 977908586 /nfs/dbraw/zinc/90/85/86/977908586.db2.gz CCOIEPRHZIQKKN-PKTZIBPZSA-N 0 3 403.526 3.885 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2CN(Cc3ccccc3)C[C@H]2C)C(=O)[C@H]1Cc1ccccc1 ZINC000431224087 978104871 /nfs/dbraw/zinc/10/48/71/978104871.db2.gz MJOOOWAJRXJAOL-UEVCKROQSA-N 0 3 403.526 3.568 20 30 HHEDHN C=CCN1C(=O)N(C[C@H]2CCCN2Cc2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431265063 978150939 /nfs/dbraw/zinc/15/09/39/978150939.db2.gz GNMUHVSNUHUCBG-DHIUTWEWSA-N 0 3 403.526 3.713 20 30 HHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](Oc4ccncc4)C3)sc2C1 ZINC000431610380 978382935 /nfs/dbraw/zinc/38/29/35/978382935.db2.gz PXSRRPKXSLUTLK-NVXWUHKLSA-N 0 3 410.543 3.621 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(F)c1Br ZINC000431841223 978547519 /nfs/dbraw/zinc/54/75/19/978547519.db2.gz QHNKRFHABISRRV-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN COc1cnccc1N1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000432073050 978669369 /nfs/dbraw/zinc/66/93/69/978669369.db2.gz VRYFVACNIHFBRV-MRXNPFEDSA-N 0 3 411.531 3.839 20 30 HHEDHN N#CCCC[C@H](NCC(=O)NCC1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000433010571 979041146 /nfs/dbraw/zinc/04/11/46/979041146.db2.gz CNMFZCXIGBRLTL-QHCPKHFHSA-N 0 3 405.542 3.876 20 30 HHEDHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433021478 979044363 /nfs/dbraw/zinc/04/43/63/979044363.db2.gz XIQXNTXETSTZTI-RTWAWAEBSA-N 0 3 407.514 3.700 20 30 HHEDHN Cc1cc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)n(-c2nc(C)cc(C)n2)n1 ZINC000433035682 979048761 /nfs/dbraw/zinc/04/87/61/979048761.db2.gz NMZZHSWYZDXPPU-HXUWFJFHSA-N 0 3 417.517 3.551 20 30 HHEDHN O[C@H](COCC(F)(F)F)CN1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000433194543 979134146 /nfs/dbraw/zinc/13/41/46/979134146.db2.gz XLLGCPQGOPKERH-LBPRGKRZSA-N 0 3 419.337 3.786 20 30 HHEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)COc1ccc(C#N)cc1 ZINC000434327573 980092090 /nfs/dbraw/zinc/09/20/90/980092090.db2.gz QNYSQWCTQSBKME-NRFANRHFSA-N 0 3 415.497 3.528 20 30 HHEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CNc1ccc(C#N)cc1 ZINC000434360152 980114316 /nfs/dbraw/zinc/11/43/16/980114316.db2.gz OLLFARNHSNCGCR-QFIPXVFZSA-N 0 3 414.513 3.561 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000434504942 980217450 /nfs/dbraw/zinc/21/74/50/980217450.db2.gz XAHZHEVPUUJXHA-QHCPKHFHSA-N 0 3 419.573 3.548 20 30 HHEDHN COC(=O)[C@H](NCC1CCN(Cc2ccccc2Cl)CC1)c1cccc(C#N)c1 ZINC000434881075 980465594 /nfs/dbraw/zinc/46/55/94/980465594.db2.gz SESLYUBAKJOWDF-JOCHJYFZSA-N 0 3 411.933 3.928 20 30 HHEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000436324783 981299746 /nfs/dbraw/zinc/29/97/46/981299746.db2.gz MJKIFNBGPUKXGA-DQEYMECFSA-N 0 3 416.569 3.887 20 30 HHEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000448321144 981698083 /nfs/dbraw/zinc/69/80/83/981698083.db2.gz LOKWGRLDEPVXQZ-OAQYLSRUSA-N 0 3 420.513 3.526 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000460134112 981908752 /nfs/dbraw/zinc/90/87/52/981908752.db2.gz MGQSBJRQQDHBAD-QFIPXVFZSA-N 0 3 406.530 3.731 20 30 HHEDHN CCn1c(-c2ccccc2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460313656 982092357 /nfs/dbraw/zinc/09/23/57/982092357.db2.gz UBIIFIVVOXVWJQ-UHFFFAOYSA-N 0 3 400.530 3.857 20 30 HHEDHN CCN(CC)C(=O)[C@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ccccc1 ZINC000438310878 982715458 /nfs/dbraw/zinc/71/54/58/982715458.db2.gz FEDSOLIVHDFACM-LZBANZJXSA-N 0 3 406.530 3.843 20 30 HHEDHN N#Cc1ccc([C@H](C(N)=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC000438513044 982852786 /nfs/dbraw/zinc/85/27/86/982852786.db2.gz YTZIAKDOXQHCLE-HSZRJFAPSA-N 0 3 402.542 3.605 20 30 HHEDHN COc1cccc([C@@H](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)N(C)C)c1 ZINC000439133390 983266375 /nfs/dbraw/zinc/26/63/75/983266375.db2.gz RROFRCMDJGDMBE-QGZVFWFLSA-N 0 3 400.404 3.669 20 30 HHEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000439239177 983325294 /nfs/dbraw/zinc/32/52/94/983325294.db2.gz UBESOELXCGZNHE-SFHVURJKSA-N 0 3 417.962 3.744 20 30 HHEDHN C[C@H](NCc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1ccccc1C#N ZINC000439596075 983465188 /nfs/dbraw/zinc/46/51/88/983465188.db2.gz NEYAEKPWYHQZQU-SFHVURJKSA-N 0 3 402.498 3.900 20 30 HHEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441388979 984224990 /nfs/dbraw/zinc/22/49/90/984224990.db2.gz UEDINCIMLIULFH-CZUORRHYSA-N 0 3 410.331 3.911 20 30 HHEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441388977 984225076 /nfs/dbraw/zinc/22/50/76/984225076.db2.gz UEDINCIMLIULFH-CJNGLKHVSA-N 0 3 410.331 3.911 20 30 HHEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000461994484 984975968 /nfs/dbraw/zinc/97/59/68/984975968.db2.gz NTCIFWZZYBAWQY-UHFFFAOYSA-N 0 3 402.498 3.719 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000462190525 985172825 /nfs/dbraw/zinc/17/28/25/985172825.db2.gz LXHYKBOFEZWFQB-WZONZLPQSA-N 0 3 412.493 3.996 20 30 HHEDHN COCCN(CC1(C#N)CC1)CC1(c2ccccc2)CCN(CC2(C#N)CC2)CC1 ZINC000442888720 985262540 /nfs/dbraw/zinc/26/25/40/985262540.db2.gz HHJIETKIPKWAOV-UHFFFAOYSA-N 0 3 406.574 3.576 20 30 HHEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000468104240 985765235 /nfs/dbraw/zinc/76/52/35/985765235.db2.gz YQFOFFYSISIDLZ-UHFFFAOYSA-N 0 3 407.558 3.731 20 30 HHEDHN CN(CCNC(=O)C1CCN(c2ccc(Cl)cc2C#N)CC1)Cc1ccccc1 ZINC000462911070 985842828 /nfs/dbraw/zinc/84/28/28/985842828.db2.gz NBXBYOYMEBVJOO-UHFFFAOYSA-N 0 3 410.949 3.676 20 30 HHEDHN Cc1oc2ccccc2c1CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000468166793 985845241 /nfs/dbraw/zinc/84/52/41/985845241.db2.gz BWUMUWZEVAMPRL-UHFFFAOYSA-N 0 3 404.514 3.929 20 30 HHEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N)N(C)C ZINC000443845578 986048073 /nfs/dbraw/zinc/04/80/73/986048073.db2.gz SGZMMJINGTXBIM-UWJYYQICSA-N 0 3 424.570 3.747 20 30 HHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(Br)cc1OCCCO ZINC000463363130 986329496 /nfs/dbraw/zinc/32/94/96/986329496.db2.gz WOSMWFYPVFMDNI-OAHLLOKOSA-N 0 3 419.319 3.812 20 30 HHEDHN C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469338125 987044948 /nfs/dbraw/zinc/04/49/48/987044948.db2.gz NAVBPZPJSGIUJX-WMZHIEFXSA-N 0 3 417.557 3.987 20 30 HHEDHN N#Cc1cccc(OCCCCC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000469869723 987507707 /nfs/dbraw/zinc/50/77/07/987507707.db2.gz FUPLILRWCYCNFJ-DEOSSOPVSA-N 0 3 421.541 3.515 20 30 HHEDHN CN1CCN(CCCNC(=O)C[C@H](CC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000470020300 987630979 /nfs/dbraw/zinc/63/09/79/987630979.db2.gz XNDSMAMVMOSRTG-BJKOFHAPSA-N 0 3 404.558 3.569 20 30 HHEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000470030901 987642934 /nfs/dbraw/zinc/64/29/34/987642934.db2.gz RPOYYQYKTAOLKN-ZEQRLZLVSA-N 0 3 420.557 3.860 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000445814017 987875620 /nfs/dbraw/zinc/87/56/20/987875620.db2.gz QAIQVQDPWXPTMR-UHFFFAOYSA-N 0 3 404.539 3.810 20 30 HHEDHN CCN1CCN(c2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000470532665 988536294 /nfs/dbraw/zinc/53/62/94/988536294.db2.gz YARMKSDTDIDVQW-ZEQRLZLVSA-N 0 3 402.542 3.740 20 30 HHEDHN N#CC(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1cc(C(F)(F)F)ccn1 ZINC000464467740 988642246 /nfs/dbraw/zinc/64/22/46/988642246.db2.gz OFLCFKRANLGSTI-LBPRGKRZSA-N 0 3 408.767 3.773 20 30 HHEDHN N#Cc1ccc(CC(C#N)C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 ZINC000470828148 988900980 /nfs/dbraw/zinc/90/09/80/988900980.db2.gz YZXYTIIQYFGNSW-LJQANCHMSA-N 0 3 416.868 3.743 20 30 HHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464837780 989081243 /nfs/dbraw/zinc/08/12/43/989081243.db2.gz ULGPDDCSYSGELX-FCHUYYIVSA-N 0 3 404.558 3.918 20 30 HHEDHN COc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1O ZINC000471168724 989294120 /nfs/dbraw/zinc/29/41/20/989294120.db2.gz KQAQMIAHAPIJMW-CQSZACIVSA-N 0 3 413.543 3.919 20 30 HHEDHN CC1CCN([C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000471791081 989977620 /nfs/dbraw/zinc/97/76/20/989977620.db2.gz UXBVSWYSHXPMGM-RPWUZVMVSA-N 0 3 400.526 3.830 20 30 HHEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000466162943 991351119 /nfs/dbraw/zinc/35/11/19/991351119.db2.gz KCVHZEYFMUAYTP-KRWDZBQOSA-N 0 3 414.937 3.752 20 30 HHEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000466171586 991363724 /nfs/dbraw/zinc/36/37/24/991363724.db2.gz USOYGRLNOAAWLS-KRWDZBQOSA-N 0 3 414.937 3.752 20 30 HHEDHN CC[C@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCc2ccccc2C1 ZINC000466622496 991938375 /nfs/dbraw/zinc/93/83/75/991938375.db2.gz YVYZZXDETRFUSY-HXUWFJFHSA-N 0 3 407.518 3.723 20 30 HHEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000466939506 992250228 /nfs/dbraw/zinc/25/02/28/992250228.db2.gz RVQHYYJPJPTAAJ-HXOBKFHXSA-N 0 3 406.505 3.892 20 30 HHEDHN CN(CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472466494 993468600 /nfs/dbraw/zinc/46/86/00/993468600.db2.gz AKJFOCAJADBCBB-HXUWFJFHSA-N 0 3 408.571 3.837 20 30 HHEDHN Cc1cc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000473234427 994085986 /nfs/dbraw/zinc/08/59/86/994085986.db2.gz MJSSMYDLGVWTIH-JOCHJYFZSA-N 0 3 415.541 3.718 20 30 HHEDHN COc1cc(CN2CCC([C@@H](C)NC(C)=O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000481579204 994418803 /nfs/dbraw/zinc/41/88/03/994418803.db2.gz OVIZRNNCTAQTPO-GOSISDBHSA-N 0 3 421.541 3.882 20 30 HHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000481664965 994525687 /nfs/dbraw/zinc/52/56/87/994525687.db2.gz ZGIPECHDLJQEFT-HSZRJFAPSA-N 0 3 409.555 3.900 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000482401609 995387836 /nfs/dbraw/zinc/38/78/36/995387836.db2.gz QTQXTWCEPFAYLH-HNNXBMFYSA-N 0 3 407.383 3.841 20 30 HHEDHN C=CCc1cc(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000475101391 995922562 /nfs/dbraw/zinc/92/25/62/995922562.db2.gz CNUDMYLYKWEQBQ-QFIPXVFZSA-N 0 3 423.557 3.848 20 30 HHEDHN C=C(C)[C@H](NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000483315046 996093759 /nfs/dbraw/zinc/09/37/59/996093759.db2.gz NAXBLZMQTVCCDK-GMAHTHKFSA-N 0 3 415.484 3.518 20 30 HHEDHN C=CCOc1ccccc1CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000476636968 997162534 /nfs/dbraw/zinc/16/25/34/997162534.db2.gz ZDILYAZOFOEJNL-QFIPXVFZSA-N 0 3 409.530 3.896 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1csc([C@H](C)OC)n1 ZINC000476824585 997383888 /nfs/dbraw/zinc/38/38/88/997383888.db2.gz RXSOBHDHOPOMKU-HNNXBMFYSA-N 0 3 407.609 3.949 20 30 HHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc(OCC(F)(F)F)cc3)C2=O)cc1 ZINC000485281203 997677612 /nfs/dbraw/zinc/67/76/12/997677612.db2.gz BTAAKTQSQWQLKY-LJQANCHMSA-N 0 3 403.404 3.785 20 30 HHEDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000477068942 997716150 /nfs/dbraw/zinc/71/61/50/997716150.db2.gz KERBISIYRRYXMW-HJFSHJIFSA-N 0 3 415.584 3.867 20 30 HHEDHN CC(C)([C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000487078626 999056712 /nfs/dbraw/zinc/05/67/12/999056712.db2.gz ZIFYTJRDLDROII-JOCHJYFZSA-N 0 3 412.484 3.980 20 30 HHEDHN CC(C)NC(=O)Nc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488461296 999493831 /nfs/dbraw/zinc/49/38/31/999493831.db2.gz INZICGRBFNQBBC-VGSWGCGISA-N 0 3 419.529 3.540 20 30 HHEDHN CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488466083 999496117 /nfs/dbraw/zinc/49/61/17/999496117.db2.gz PCJRELOWFCUXAL-WZONZLPQSA-N 0 3 418.541 3.789 20 30 HHEDHN N#Cc1ccc(CN2CC[C@@H](N[C@@H]3CCc4cc(Br)ccc43)C2=O)cc1 ZINC000488477807 999501058 /nfs/dbraw/zinc/50/10/58/999501058.db2.gz KDYAYUMZXAQRQY-WOJBJXKFSA-N 0 3 410.315 3.699 20 30 HHEDHN CC(C)c1ccc(NC(=O)C[C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488503739 999510185 /nfs/dbraw/zinc/51/01/85/999510185.db2.gz VCOJFBOHFTUNQI-MBSDFSHPSA-N 0 3 418.541 3.789 20 30 HHEDHN Cc1ccc([C@@H]2C[C@H](C)N(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)cc1 ZINC000490058060 999886811 /nfs/dbraw/zinc/88/68/11/999886811.db2.gz FKUHJIHVWJFUJX-NNWRFLSQSA-N 0 3 422.598 3.643 20 30 HHEDHN CCN1CCN(c2ccccc2NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000490377020 999947659 /nfs/dbraw/zinc/94/76/59/999947659.db2.gz WBTSXLRHASABIJ-UHFFFAOYSA-N 0 3 400.530 3.713 20 30 HHEDHN C=C(C)CN1CCC(N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491036573 1000037813 /nfs/dbraw/zinc/03/78/13/1000037813.db2.gz MQOHFCXGSZSUGQ-HSZRJFAPSA-N 0 3 416.562 3.949 20 30 HHEDHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)nc1 ZINC000491151040 1000050701 /nfs/dbraw/zinc/05/07/01/1000050701.db2.gz WKJOUMCQUWSOQX-HXUWFJFHSA-N 0 3 414.513 3.513 20 30 HHEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[C@H]2C1 ZINC000492183099 1000114261 /nfs/dbraw/zinc/11/42/61/1000114261.db2.gz XZQWOULPRJSGHW-RXVVDRJESA-N 0 3 408.477 3.834 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000493806252 1000194530 /nfs/dbraw/zinc/19/45/30/1000194530.db2.gz FHQZQHHURYPDOF-SFHVURJKSA-N 0 3 400.350 3.757 20 30 HHEDHN N#Cc1c(NC(=O)CCN(CCO)Cc2cccc(F)c2)sc2c1CCCCC2 ZINC000494230783 1000375256 /nfs/dbraw/zinc/37/52/56/1000375256.db2.gz MUUARMJIFHWTLL-UHFFFAOYSA-N 0 3 415.534 3.851 20 30 HHEDHN CCOc1ccc(OCC)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000505542353 1000889335 /nfs/dbraw/zinc/88/93/35/1000889335.db2.gz HYWZUJSSNQMMRZ-UHFFFAOYSA-N 0 3 410.518 3.951 20 30 HHEDHN CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1C#N ZINC000495847697 1001085862 /nfs/dbraw/zinc/08/58/62/1001085862.db2.gz HDCLGNIHPHOHEP-UHFFFAOYSA-N 0 3 407.514 3.802 20 30 HHEDHN CCCN(C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccc(Cl)cc1 ZINC000506214568 1001282635 /nfs/dbraw/zinc/28/26/35/1001282635.db2.gz KADJBUARBVAEDX-HXUWFJFHSA-N 0 3 412.921 3.658 20 30 HHEDHN CCCN(C)[C@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccc(Cl)cc1 ZINC000506227146 1001291739 /nfs/dbraw/zinc/29/17/39/1001291739.db2.gz NWMJKEAIPISXEB-HXUWFJFHSA-N 0 3 412.921 3.658 20 30 HHEDHN CC(C)Cn1ncc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C1CC1 ZINC000497640281 1001468576 /nfs/dbraw/zinc/46/85/76/1001468576.db2.gz WXZZGBFPCQBVQM-UHFFFAOYSA-N 0 3 408.550 3.884 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000498390351 1001819105 /nfs/dbraw/zinc/81/91/05/1001819105.db2.gz NHXWUQWBCYQCKM-UHFFFAOYSA-N 0 3 422.476 3.655 20 30 HHEDHN COc1cccc([C@H](CNc2c(C#N)cnc3ccc(OC(F)F)cc32)N(C)C)c1 ZINC000507118576 1001819785 /nfs/dbraw/zinc/81/97/85/1001819785.db2.gz YSZATRYBUCXPGL-FQEVSTJZSA-N 0 3 412.440 3.853 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(Nc3ccc(F)cc3)CC2)c(OC)c1 ZINC000507220467 1001907020 /nfs/dbraw/zinc/90/70/20/1001907020.db2.gz XAQDPEGXBIQSNV-JOCHJYFZSA-N 0 3 414.521 3.879 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000507539996 1002146692 /nfs/dbraw/zinc/14/66/92/1002146692.db2.gz XJOUHXGFGXRQHS-XMSQKQJNSA-N 0 3 420.532 3.865 20 30 HHEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000507740420 1002320709 /nfs/dbraw/zinc/32/07/09/1002320709.db2.gz DMRFKDDSJZILKU-UHFFFAOYSA-N 0 3 420.513 3.623 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000507787470 1002344004 /nfs/dbraw/zinc/34/40/04/1002344004.db2.gz FQVVODVNQVHJCN-OAQYLSRUSA-N 0 3 402.494 3.995 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(Oc3ccc(C#N)cc3)CC1)CCC2 ZINC000507858359 1002394733 /nfs/dbraw/zinc/39/47/33/1002394733.db2.gz DVUGEJMMQPMAFE-UHFFFAOYSA-N 0 3 420.538 3.852 20 30 HHEDHN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000499042609 1002422717 /nfs/dbraw/zinc/42/27/17/1002422717.db2.gz GOXIQKBHCOJKDN-JOCHJYFZSA-N 0 3 405.542 3.967 20 30 HHEDHN COc1ccc(C[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c2ccc(OC)cc2)cc1 ZINC000499047523 1002428690 /nfs/dbraw/zinc/42/86/90/1002428690.db2.gz HIAQZQWFJUOXPF-ISKFKSNPSA-N 0 3 409.530 3.632 20 30 HHEDHN C=CCn1c(-c2ccccc2)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508507262 1002989108 /nfs/dbraw/zinc/98/91/08/1002989108.db2.gz HHAZMOXDRJSXIW-BGYRXZFFSA-N 0 3 409.578 3.847 20 30 HHEDHN Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000508750864 1003186340 /nfs/dbraw/zinc/18/63/40/1003186340.db2.gz UYIALUYJZOAFAY-UHFFFAOYSA-N 0 3 408.509 3.829 20 30 HHEDHN C=CCn1c(-c2ncccc2C)nnc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000508910314 1003350767 /nfs/dbraw/zinc/35/07/67/1003350767.db2.gz BMINYDPJRLWYMT-UHFFFAOYSA-N 0 3 402.546 3.935 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000508984748 1003455842 /nfs/dbraw/zinc/45/58/42/1003455842.db2.gz NILYLEOVGVLLHO-UHFFFAOYSA-N 0 3 416.312 3.717 20 30 HHEDHN C=CCOc1ccc(CNC(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000509352262 1003782232 /nfs/dbraw/zinc/78/22/32/1003782232.db2.gz XJYFKEDORVTLMB-PMACEKPBSA-N 0 3 415.578 3.672 20 30 HHEDHN C=CCOc1c(Br)cc(CN[C@H]2CC(=O)N3CCCC[C@@H]23)cc1OCC ZINC000509420704 1003849170 /nfs/dbraw/zinc/84/91/70/1003849170.db2.gz ZQJGHXGQVDEDOZ-IRXDYDNUSA-N 0 3 423.351 3.656 20 30 HHEDHN Cc1c(C#N)cccc1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000509427756 1003854255 /nfs/dbraw/zinc/85/42/55/1003854255.db2.gz AURCNQBAHABQRG-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN CC[C@@H](C)N[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccco1 ZINC000509553522 1003941259 /nfs/dbraw/zinc/94/12/59/1003941259.db2.gz HQJSQUPEJNHPSF-UYAOXDASSA-N 0 3 409.534 3.502 20 30 HHEDHN CC[C@H](C)N[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000509570989 1003951957 /nfs/dbraw/zinc/95/19/57/1003951957.db2.gz RGFSYNRPSGHCHI-LAUBAEHRSA-N 0 3 410.518 3.833 20 30 HHEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc(Oc4cnccn4)cc3)CC2)c1 ZINC000512617515 1004430354 /nfs/dbraw/zinc/43/03/54/1004430354.db2.gz MHNSAUILLDAVGC-UHFFFAOYSA-N 0 3 413.481 3.991 20 30 HHEDHN CCN(CC)[C@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccsc1 ZINC000510260032 1004431509 /nfs/dbraw/zinc/43/15/09/1004431509.db2.gz SZNFNTZRSHTBDP-OAQYLSRUSA-N 0 3 411.575 3.534 20 30 HHEDHN N#Cc1ccsc1NC(=O)CCN[C@@H]1CCOc2c(Br)cccc21 ZINC000501551993 1004510146 /nfs/dbraw/zinc/51/01/46/1004510146.db2.gz OKYYRDLLECXPQR-CQSZACIVSA-N 0 3 406.305 3.824 20 30 HHEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nccn1-c1ccccc1 ZINC000512777202 1004553767 /nfs/dbraw/zinc/55/37/67/1004553767.db2.gz AWZXRBFINXUZJO-LJQANCHMSA-N 0 3 416.529 3.578 20 30 HHEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCN1CCc2ccccc2C1 ZINC000501714146 1004636532 /nfs/dbraw/zinc/63/65/32/1004636532.db2.gz AQSIVPGOSKIULY-UHFFFAOYSA-N 0 3 415.459 3.805 20 30 HHEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000512950501 1004720607 /nfs/dbraw/zinc/72/06/07/1004720607.db2.gz BOEUEYCFKJGDOQ-MRXNPFEDSA-N 0 3 407.451 3.851 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501847123 1004773472 /nfs/dbraw/zinc/77/34/72/1004773472.db2.gz BSUBDXVRPWWGIU-QFIPXVFZSA-N 0 3 408.571 3.928 20 30 HHEDHN CC1CCC(N2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)CC1 ZINC000513103372 1004807731 /nfs/dbraw/zinc/80/77/31/1004807731.db2.gz ULOGQYVYVKKMDI-UHFFFAOYSA-N 0 3 410.497 3.611 20 30 HHEDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc(OC)c1C(C)C ZINC000511018607 1004982405 /nfs/dbraw/zinc/98/24/05/1004982405.db2.gz TZVUOBWHGVQTEQ-UHFFFAOYSA-N 0 3 409.530 3.903 20 30 HHEDHN Cc1cc(NC(=O)N(C[C@@H](C)C#N)C2CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000513705155 1005089643 /nfs/dbraw/zinc/08/96/43/1005089643.db2.gz OBSXWNMBOFTTOG-UWJYYQICSA-N 0 3 406.534 3.795 20 30 HHEDHN N#Cc1ccc(C2=CCN(CCC(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000502542249 1005110902 /nfs/dbraw/zinc/11/09/02/1005110902.db2.gz YDXBOVRBLHDCLS-UHFFFAOYSA-N 0 3 414.509 3.803 20 30 HHEDHN C[C@@H]1CCC[C@H](N(CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000513959649 1005203181 /nfs/dbraw/zinc/20/31/81/1005203181.db2.gz QUPXAWFSTHKLNF-XBFDIVRLSA-N 0 3 411.546 3.850 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511732022 1005296994 /nfs/dbraw/zinc/29/69/94/1005296994.db2.gz VJRANNWTHNANOU-JOCHJYFZSA-N 0 3 420.557 3.625 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511732022 1005296996 /nfs/dbraw/zinc/29/69/96/1005296996.db2.gz VJRANNWTHNANOU-JOCHJYFZSA-N 0 3 420.557 3.625 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000503069057 1005336355 /nfs/dbraw/zinc/33/63/55/1005336355.db2.gz PSRRNPJVRLUONO-UHFFFAOYSA-N 0 3 422.529 3.949 20 30 HHEDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000503280815 1005382958 /nfs/dbraw/zinc/38/29/58/1005382958.db2.gz NYEHMONVVOLOIB-FQEVSTJZSA-N 0 3 420.513 3.670 20 30 HHEDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000534139742 1006119301 /nfs/dbraw/zinc/11/93/01/1006119301.db2.gz GGTHVSGFYOVRAQ-GOSISDBHSA-N 0 3 413.905 3.845 20 30 HHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000515088402 1006280608 /nfs/dbraw/zinc/28/06/08/1006280608.db2.gz WOLUXDUTODAXRL-GOSISDBHSA-N 0 3 403.482 3.981 20 30 HHEDHN COc1ccc(-n2ccc(CNC3CCN(Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000538409300 1006676689 /nfs/dbraw/zinc/67/66/89/1006676689.db2.gz LTSITULYWXSYMA-UHFFFAOYSA-N 0 3 401.514 3.507 20 30 HHEDHN Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c2cnn(Cc3cccs3)c2n1 ZINC000538579640 1006846685 /nfs/dbraw/zinc/84/66/85/1006846685.db2.gz ZAGJKRHKJKCZFS-QGZVFWFLSA-N 0 3 402.483 3.746 20 30 HHEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c2cnn(Cc3cccs3)c2n1 ZINC000538579640 1006846699 /nfs/dbraw/zinc/84/66/99/1006846699.db2.gz ZAGJKRHKJKCZFS-QGZVFWFLSA-N 0 3 402.483 3.746 20 30 HHEDHN COC(=O)COc1ccc(C(=O)C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000516713662 1007250850 /nfs/dbraw/zinc/25/08/50/1007250850.db2.gz GBYHNEDXHXGMAC-SFHVURJKSA-N 0 3 422.462 3.861 20 30 HHEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1 ZINC000535226244 1007278062 /nfs/dbraw/zinc/27/80/62/1007278062.db2.gz OSRNSLASQIPELN-UHFFFAOYSA-N 0 3 416.481 3.635 20 30 HHEDHN COC(=O)CC1(NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCCCC1 ZINC000533068046 1007430399 /nfs/dbraw/zinc/43/03/99/1007430399.db2.gz YLXLCKKZXYQITR-UHFFFAOYSA-N 0 3 414.550 3.886 20 30 HHEDHN N#CCCCOc1cccc(CNc2ccc3nc(CCN4CCOCC4)[nH]c3c2)c1 ZINC000533210614 1007538017 /nfs/dbraw/zinc/53/80/17/1007538017.db2.gz AGRYGHHDNFJKLC-UHFFFAOYSA-N 0 3 419.529 3.732 20 30 HHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000533366903 1007676146 /nfs/dbraw/zinc/67/61/46/1007676146.db2.gz XNWSUWKTOJDYSX-FQEVSTJZSA-N 0 3 422.529 3.788 20 30 HHEDHN C=CCc1cc(C(=O)C(C#N)c2nc(C(=O)OCC)cs2)cc(OC)c1OC ZINC000517926650 1008059978 /nfs/dbraw/zinc/05/99/78/1008059978.db2.gz WPROMRKKZNNLES-CQSZACIVSA-N 0 3 400.456 3.556 20 30 HHEDHN CN(C(=O)c1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1)c1ccccc1 ZINC000536070879 1008098144 /nfs/dbraw/zinc/09/81/44/1008098144.db2.gz MSUQGFQPIXYCLL-HXUWFJFHSA-N 0 3 413.481 3.771 20 30 HHEDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000539818566 1008113189 /nfs/dbraw/zinc/11/31/89/1008113189.db2.gz XPKADOAFWYNDQU-RPWUZVMVSA-N 0 3 406.526 3.889 20 30 HHEDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000539818564 1008113365 /nfs/dbraw/zinc/11/33/65/1008113365.db2.gz XPKADOAFWYNDQU-BJKOFHAPSA-N 0 3 406.526 3.889 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1Br ZINC000533798435 1008118830 /nfs/dbraw/zinc/11/88/30/1008118830.db2.gz FZZXWDDITRHVDD-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN CN(C)[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)Cc1ccccc1 ZINC000533810830 1008128591 /nfs/dbraw/zinc/12/85/91/1008128591.db2.gz HKUJYPHEISQWCA-NRFANRHFSA-N 0 3 403.482 3.633 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000540017383 1008239626 /nfs/dbraw/zinc/23/96/26/1008239626.db2.gz YTGVYOAMOGQSQP-UHFFFAOYSA-N 0 3 408.521 3.793 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)N1CCCC1 ZINC000518462957 1008317874 /nfs/dbraw/zinc/31/78/74/1008317874.db2.gz DWTMIOOPXFCZRH-JXFKEZNVSA-N 0 3 424.932 3.534 20 30 HHEDHN CC[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1 ZINC000540343659 1008390220 /nfs/dbraw/zinc/39/02/20/1008390220.db2.gz BOVMGOQMNZUNJN-FQEVSTJZSA-N 0 3 404.432 3.923 20 30 HHEDHN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000540359579 1008398930 /nfs/dbraw/zinc/39/89/30/1008398930.db2.gz CULWIMAICUZLRT-QZTJIDSGSA-N 0 3 405.477 3.997 20 30 HHEDHN COC[C@@H](NCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccccc1 ZINC000540409118 1008420719 /nfs/dbraw/zinc/42/07/19/1008420719.db2.gz XIMSYXCYDAIWHE-JOCHJYFZSA-N 0 3 420.513 3.924 20 30 HHEDHN N#CCCN(C(=O)CCC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000519503642 1008874696 /nfs/dbraw/zinc/87/46/96/1008874696.db2.gz UOMLQVKYDIIDNW-HSZRJFAPSA-N 0 3 418.541 3.667 20 30 HHEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)c1 ZINC000520606676 1009683382 /nfs/dbraw/zinc/68/33/82/1009683382.db2.gz KNKWDMBAPABSEI-JOCHJYFZSA-N 0 3 402.494 3.995 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000520697728 1009764739 /nfs/dbraw/zinc/76/47/39/1009764739.db2.gz OFLIWSJWWWTWFR-UHFFFAOYSA-N 0 3 417.513 3.973 20 30 HHEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000520722964 1009790414 /nfs/dbraw/zinc/79/04/14/1009790414.db2.gz WGXZXKUHOGHHKT-IBGZPJMESA-N 0 3 411.477 3.672 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000544301408 1009921902 /nfs/dbraw/zinc/92/19/02/1009921902.db2.gz RSRCOJZRQDUSRL-NRFANRHFSA-N 0 3 422.529 3.712 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000544310186 1009932913 /nfs/dbraw/zinc/93/29/13/1009932913.db2.gz XBHCGTANVOQXNV-XLIONFOSSA-N 0 3 408.502 3.540 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000544310184 1009933118 /nfs/dbraw/zinc/93/31/18/1009933118.db2.gz XBHCGTANVOQXNV-FXAWDEMLSA-N 0 3 408.502 3.540 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)cc1 ZINC000544514246 1010138828 /nfs/dbraw/zinc/13/88/28/1010138828.db2.gz ITLVBNGJYKXOJP-GGUMNFRJSA-N 0 3 407.514 3.875 20 30 HHEDHN CC(C)CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C#N)cc1 ZINC000521196690 1010223643 /nfs/dbraw/zinc/22/36/43/1010223643.db2.gz UPKVZPYGYGDULP-UHFFFAOYSA-N 0 3 400.544 3.889 20 30 HHEDHN COc1ccc(C2(CN[C@@H](C(N)=O)c3ccc(C#N)cc3)CCCCC2)cc1OC ZINC000522377281 1010967247 /nfs/dbraw/zinc/96/72/47/1010967247.db2.gz URSUKXGXRVKKOY-JOCHJYFZSA-N 0 3 407.514 3.594 20 30 HHEDHN Cn1ccnc1[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000540596796 1011253118 /nfs/dbraw/zinc/25/31/18/1011253118.db2.gz IBPIZFSFDVXETA-QHCPKHFHSA-N 0 3 403.505 3.774 20 30 HHEDHN CN1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000536170883 1011302023 /nfs/dbraw/zinc/30/20/23/1011302023.db2.gz VTBYYNLYZJZGGP-VQTJNVASSA-N 0 3 401.432 3.802 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)CC1 ZINC000522975105 1011425480 /nfs/dbraw/zinc/42/54/80/1011425480.db2.gz POZSJGZZJWHVRK-JOCHJYFZSA-N 0 3 419.529 3.502 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)N1CCCC[C@H]1C ZINC000523053540 1011522750 /nfs/dbraw/zinc/52/27/50/1011522750.db2.gz VDQXWNBKYWTTBA-MSOLQXFVSA-N 0 3 420.513 3.668 20 30 HHEDHN COCCN1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105949 1011753180 /nfs/dbraw/zinc/75/31/80/1011753180.db2.gz AVTOPJPJXXWGPZ-JPYJTQIMSA-N 0 3 406.530 3.696 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000541210469 1011881227 /nfs/dbraw/zinc/88/12/27/1011881227.db2.gz OPDMMCFCBFLFDH-UHFFFAOYSA-N 0 3 411.456 3.587 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2C)N(CC)CC)cc1 ZINC000551799647 1011957162 /nfs/dbraw/zinc/95/71/62/1011957162.db2.gz QWJCVXQDWAPIFC-JOCHJYFZSA-N 0 3 406.530 3.567 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1F ZINC000551968617 1012035642 /nfs/dbraw/zinc/03/56/42/1012035642.db2.gz MJORSQPENGSUMK-UHFFFAOYSA-N 0 3 423.467 3.535 20 30 HHEDHN CC[N@H+](CCC1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1)CC(C)C ZINC000536923988 1012206920 /nfs/dbraw/zinc/20/69/20/1012206920.db2.gz GQUFOCYTZOQQRR-UHFFFAOYSA-N 0 3 414.594 3.815 20 30 HHEDHN CC[N@@H+](CCC1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1)CC(C)C ZINC000536923988 1012206936 /nfs/dbraw/zinc/20/69/36/1012206936.db2.gz GQUFOCYTZOQQRR-UHFFFAOYSA-N 0 3 414.594 3.815 20 30 HHEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537108450 1012479193 /nfs/dbraw/zinc/47/91/93/1012479193.db2.gz UHBAWZVQZCBOKJ-ROUUACIJSA-N 0 3 423.536 3.517 20 30 HHEDHN CCCN1CCN(c2ccc(NC(=O)c3ccc(F)c(C#N)c3)c(OCC)c2)CC1 ZINC000552484409 1012511348 /nfs/dbraw/zinc/51/13/48/1012511348.db2.gz DYNUMEOCMAXKMC-UHFFFAOYSA-N 0 3 410.493 3.880 20 30 HHEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H](c2ccccc2)C2CCC2)CC1 ZINC000537249447 1012694284 /nfs/dbraw/zinc/69/42/84/1012694284.db2.gz UTJCATREPAFNBU-NZQKXSOJSA-N 0 3 408.571 3.588 20 30 HHEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537249647 1012695844 /nfs/dbraw/zinc/69/58/44/1012695844.db2.gz OAVZOOSVKVAQFE-LEWJYISDSA-N 0 3 410.587 3.930 20 30 HHEDHN Cc1cccc([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1C ZINC000537288030 1012744912 /nfs/dbraw/zinc/74/49/12/1012744912.db2.gz ZTTPKYNQMPOPMT-XXBNENTESA-N 0 3 408.521 3.502 20 30 HHEDHN CN(C)[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccccc1 ZINC000542034896 1012934235 /nfs/dbraw/zinc/93/42/35/1012934235.db2.gz OHAFIFFRHMGOCL-LJQANCHMSA-N 0 3 408.893 3.822 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)N(C)C)cc1 ZINC000553053765 1013027415 /nfs/dbraw/zinc/02/74/15/1013027415.db2.gz KEUCCKJKLQTYAT-OFNKIYASSA-N 0 3 408.521 3.505 20 30 HHEDHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1nc(-c2cc(C#N)ccc2F)no1 ZINC001212065622 1071948135 /nfs/dbraw/zinc/94/81/35/1071948135.db2.gz NCIKGBASLXRAEN-PMACEKPBSA-N 0 3 421.476 3.521 20 30 HHEDHN CCN1CCN([C@H](C)CNc2c(C#N)cnc3c(Br)c(C)ccc32)CC1 ZINC000479378390 1072786801 /nfs/dbraw/zinc/78/68/01/1072786801.db2.gz LHOUCIWLMJRNAO-OAHLLOKOSA-N 0 3 416.367 3.615 20 30 HHEDHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)N(C)C)cc1 ZINC000588664861 1073082026 /nfs/dbraw/zinc/08/20/26/1073082026.db2.gz CYHPSNYTFFMRHZ-PKTZIBPZSA-N 0 3 406.530 3.935 20 30 HHEDHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000572051045 1073123631 /nfs/dbraw/zinc/12/36/31/1073123631.db2.gz YAYXAZWEXJLGBM-MRFFXTKBSA-N 0 3 400.885 3.713 20 30 HHEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555130738 1073180949 /nfs/dbraw/zinc/18/09/49/1073180949.db2.gz VEDKGSQHCLFCIO-QUCCMNQESA-N 0 3 408.949 3.745 20 30 HHEDHN C[C@@H]1[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCN1Cc1ccccc1 ZINC000572196099 1073225232 /nfs/dbraw/zinc/22/52/32/1073225232.db2.gz JQPNKAOWOMSLLH-DVECYGJZSA-N 0 3 418.541 3.774 20 30 HHEDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000555566634 1073635178 /nfs/dbraw/zinc/63/51/78/1073635178.db2.gz QMXRRBJKWWDVHT-UHFFFAOYSA-N 0 3 404.436 3.609 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000592302015 1074719437 /nfs/dbraw/zinc/71/94/37/1074719437.db2.gz QSYZCFVNAFUUJI-CHWSQXEVSA-N 0 3 401.395 3.799 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)cc(Br)c2OC)CC1 ZINC000592920653 1075134161 /nfs/dbraw/zinc/13/41/61/1075134161.db2.gz RAIYKTMXGPQJOE-UHFFFAOYSA-N 0 3 402.720 3.883 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 ZINC000594124788 1075264942 /nfs/dbraw/zinc/26/49/42/1075264942.db2.gz KSDBJHKUGARHQA-OZOXKJRCSA-N 0 3 413.562 3.604 20 30 HHEDHN N#C[C@H](c1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nn1)c1ccccc1F ZINC001164723972 720405169 /nfs/dbraw/zinc/40/51/69/720405169.db2.gz IIPODJCCRVCVJE-WWPVKYPJSA-N 0 3 414.488 3.519 20 30 HHEDHN N#Cc1cnc2cc[nH]c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c1-2 ZINC001164904301 721719548 /nfs/dbraw/zinc/71/95/48/721719548.db2.gz BLSSXJIMVZEXHB-OAQYLSRUSA-N 0 3 408.456 3.567 20 30 HHEDHN N#CC1(c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc2)CCC1 ZINC001164963959 722055913 /nfs/dbraw/zinc/05/59/13/722055913.db2.gz PWWAYXSIGUFRGQ-UHFFFAOYSA-N 0 3 417.557 3.541 20 30 HHEDHN CC(C)c1noc(-c2ccnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)c2)n1 ZINC000301380846 970897333 /nfs/dbraw/zinc/89/73/33/970897333.db2.gz YYGLMCUZIGZDKU-UHFFFAOYSA-N 0 3 402.502 3.839 20 30 HHEDHN C=CCN1CCC(NC(=O)COc2ccc3ccccc3c2Br)CC1 ZINC000303274863 971592400 /nfs/dbraw/zinc/59/24/00/971592400.db2.gz KOQKIDBWNRGLFP-UHFFFAOYSA-N 0 3 403.320 3.748 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000303308706 971618254 /nfs/dbraw/zinc/61/82/54/971618254.db2.gz OKHUZMSPNLXTKI-UHFFFAOYSA-N 0 3 418.585 3.754 20 30 HHEDHN C=CCN1CCC(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000303318842 971626537 /nfs/dbraw/zinc/62/65/37/971626537.db2.gz UPCFJYPNLUAOFD-UHFFFAOYSA-N 0 3 405.951 3.685 20 30 HHEDHN C[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)N(C)Cc1ccccc1 ZINC000303498174 971796748 /nfs/dbraw/zinc/79/67/48/971796748.db2.gz UJZCOPGSSDCSMJ-QGZVFWFLSA-N 0 3 403.448 3.877 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000303733977 971986355 /nfs/dbraw/zinc/98/63/55/971986355.db2.gz VUCBYVWHFYFRLS-GOSISDBHSA-N 0 3 406.530 3.550 20 30 HHEDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000303788953 972028593 /nfs/dbraw/zinc/02/85/93/972028593.db2.gz JPVGPWSHBNHPFZ-APWZRJJASA-N 0 3 417.962 3.885 20 30 HHEDHN CN(C)C[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553219466 1013186536 /nfs/dbraw/zinc/18/65/36/1013186536.db2.gz YZVNPOPLPYAHNY-FXAWDEMLSA-N 0 3 414.912 3.596 20 30 HHEDHN C=CCOc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccc(OC)cc2)cc1OC ZINC000537728664 1013290522 /nfs/dbraw/zinc/29/05/22/1013290522.db2.gz OIHSEHDWECFYDB-OAQYLSRUSA-N 0 3 410.514 3.836 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)C[C@@H](C)O1 ZINC000553444096 1013358442 /nfs/dbraw/zinc/35/84/42/1013358442.db2.gz UBLLGNBTWVFCFK-HZPDHXFCSA-N 0 3 401.942 3.575 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCN(Cc3ccccc3)CC2)c1 ZINC000022806073 963720509 /nfs/dbraw/zinc/72/05/09/963720509.db2.gz ZFUGATYMUXLIAU-UHFFFAOYSA-N 0 3 404.558 3.758 20 30 HHEDHN CC(C)([C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000542518478 1013462393 /nfs/dbraw/zinc/46/23/93/1013462393.db2.gz RZCNOBNXXAVDRN-NRFANRHFSA-N 0 3 418.532 3.813 20 30 HHEDHN N#CC(C(=O)c1ccccc1S(=O)(=O)N1CCCCC1)c1ccc2ccccc2n1 ZINC000048853951 964078908 /nfs/dbraw/zinc/07/89/08/964078908.db2.gz JAQATEPXHGTJLC-LJQANCHMSA-N 0 3 419.506 3.899 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)CCc3ccc(C#N)cc3)CC2)c1 ZINC000026959626 964733462 /nfs/dbraw/zinc/73/34/62/964733462.db2.gz BSXLGNUMAGPWSL-UHFFFAOYSA-N 0 3 404.558 3.518 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(-c2ccccc2)no1 ZINC000052485674 964916151 /nfs/dbraw/zinc/91/61/51/964916151.db2.gz YFQXYQJGLLDAGB-UHFFFAOYSA-N 0 3 410.547 3.835 20 30 HHEDHN Cc1nc(SCC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(C#N)c(C)c1C ZINC000057924072 965584007 /nfs/dbraw/zinc/58/40/07/965584007.db2.gz XHKZPGWRHWJEKZ-NRFANRHFSA-N 0 3 408.571 3.924 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000058967420 965975310 /nfs/dbraw/zinc/97/53/10/965975310.db2.gz JZALWWONAJRLGB-UHFFFAOYSA-N 0 3 407.905 3.806 20 30 HHEDHN Cc1cc(C)n(Cc2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2)n1 ZINC000061432951 966461647 /nfs/dbraw/zinc/46/16/47/966461647.db2.gz GWOORIWCGNOACC-UHFFFAOYSA-N 0 3 415.541 3.624 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCSCc1ccccc1F ZINC000043827281 967043214 /nfs/dbraw/zinc/04/32/14/967043214.db2.gz VKNUEYJUYWRTHZ-UHFFFAOYSA-N 0 3 414.550 3.704 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000538132927 1013695224 /nfs/dbraw/zinc/69/52/24/1013695224.db2.gz FOLYAQMXQZVMHZ-UHFFFAOYSA-N 0 3 413.541 3.830 20 30 HHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(CC2CCCCC2)CC1 ZINC000064130038 967059863 /nfs/dbraw/zinc/05/98/63/967059863.db2.gz ZGCXRKVADKRKNR-LJQANCHMSA-N 0 3 400.542 3.659 20 30 HHEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000064140944 967063309 /nfs/dbraw/zinc/06/33/09/967063309.db2.gz BUZPPATZJIFFKL-MRXNPFEDSA-N 0 3 409.711 3.846 20 30 HHEDHN COc1ccc(C#N)cc1NC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000064743541 967280161 /nfs/dbraw/zinc/28/01/61/967280161.db2.gz MEPDBQORVYLZQV-UHFFFAOYSA-N 0 3 421.545 3.599 20 30 HHEDHN COc1ccc([C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000045317715 967420282 /nfs/dbraw/zinc/42/02/82/967420282.db2.gz XFXKDWGJKLQDEO-QHCPKHFHSA-N 0 3 406.530 3.791 20 30 HHEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000047008946 968030632 /nfs/dbraw/zinc/03/06/32/968030632.db2.gz SRAOTVALXYOZMV-UHFFFAOYSA-N 0 3 400.592 3.841 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccs2)n1 ZINC000047234338 968097902 /nfs/dbraw/zinc/09/79/02/968097902.db2.gz VHRUKVDQBKAXPZ-UHFFFAOYSA-N 0 3 410.568 3.876 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000047402125 968177318 /nfs/dbraw/zinc/17/73/18/968177318.db2.gz XQEYEWHRRGXFKN-UHFFFAOYSA-N 0 3 406.530 3.667 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000065930081 968719714 /nfs/dbraw/zinc/71/97/14/968719714.db2.gz QCQUAOLPNMRLNG-UHFFFAOYSA-N 0 3 401.510 3.926 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc(Br)c1 ZINC000065930477 968720629 /nfs/dbraw/zinc/72/06/29/968720629.db2.gz SEWWYFLFSBKPMS-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1cc(Cl)ccc1Cl ZINC000065930842 968721877 /nfs/dbraw/zinc/72/18/77/968721877.db2.gz JIPQZLUNXOPZLX-UHFFFAOYSA-N 0 3 406.313 3.834 20 30 HHEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnn(Cc3ccccc3Cl)c2)c1 ZINC000105261467 969227099 /nfs/dbraw/zinc/22/70/99/969227099.db2.gz GNOGLINCHXZNIE-SFHVURJKSA-N 0 3 408.845 3.555 20 30 HHEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000105260927 969227357 /nfs/dbraw/zinc/22/73/57/969227357.db2.gz LTPLCHDIKYJTDU-INIZCTEOSA-N 0 3 419.934 3.646 20 30 HHEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000108933977 969436651 /nfs/dbraw/zinc/43/66/51/969436651.db2.gz LZOXUPRUECGDCE-GOSISDBHSA-N 0 3 404.514 3.853 20 30 HHEDHN COc1cc(C#N)ccc1OCC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000117271921 969945143 /nfs/dbraw/zinc/94/51/43/969945143.db2.gz YSISRQKRCNHGOE-QHCPKHFHSA-N 0 3 421.541 3.535 20 30 HHEDHN CC(=O)NCc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000195720729 969980797 /nfs/dbraw/zinc/98/07/97/969980797.db2.gz BWHPNXQYWHMEJV-GFCCVEGCSA-N 0 3 410.282 3.652 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 ZINC000139613816 970038888 /nfs/dbraw/zinc/03/88/88/970038888.db2.gz XVKUJJRYRKCZSS-JOCHJYFZSA-N 0 3 406.530 3.869 20 30 HHEDHN C=C(C)COc1cc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)ccc1OC ZINC000143001636 970177841 /nfs/dbraw/zinc/17/78/41/970177841.db2.gz PQYKINBBNILWJY-MRXNPFEDSA-N 0 3 404.532 3.872 20 30 HHEDHN CN1CCN(Cc2cccc(NCc3cn(CCC#N)nc3-c3ccccc3)c2)CC1 ZINC000237093419 970221337 /nfs/dbraw/zinc/22/13/37/970221337.db2.gz FXGQLKIJXJZFKF-UHFFFAOYSA-N 0 3 414.557 3.823 20 30 HHEDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(N(C)CCC#N)cc3)cc2)C[C@H](C)O1 ZINC000237547295 970311469 /nfs/dbraw/zinc/31/14/69/970311469.db2.gz CKGHBMBGJZWAAW-BGYRXZFFSA-N 0 3 420.557 3.576 20 30 HHEDHN Cc1cc(C)n(-c2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)cn2)n1 ZINC000237791596 970368291 /nfs/dbraw/zinc/36/82/91/970368291.db2.gz IOTYJULADMMPQC-UHFFFAOYSA-N 0 3 411.513 3.951 20 30 HHEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000311311099 972626914 /nfs/dbraw/zinc/62/69/14/972626914.db2.gz XGYCZHANOCKBLL-KRWDZBQOSA-N 0 3 423.351 3.950 20 30 HHEDHN N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(CCN4CCSCC4)cc3)n2)c1 ZINC000409608180 973055540 /nfs/dbraw/zinc/05/55/40/973055540.db2.gz MKTZHJTXQXAPJX-UHFFFAOYSA-N 0 3 417.538 3.588 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCCC[C@@H]1C ZINC000425940245 974049653 /nfs/dbraw/zinc/04/96/53/974049653.db2.gz ASKPBEOSEPMBHP-ROUUACIJSA-N 0 3 420.513 3.668 20 30 HHEDHN CCN(CC(=O)Nc1sc(C)c(C)c1C#N)CC1CCN(c2ccccn2)CC1 ZINC000426454526 974460936 /nfs/dbraw/zinc/46/09/36/974460936.db2.gz QFWSNGFDLYECGQ-UHFFFAOYSA-N 0 3 411.575 3.809 20 30 HHEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426537180 974513926 /nfs/dbraw/zinc/51/39/26/974513926.db2.gz FHOUBKVEXAWKAZ-ROUUACIJSA-N 0 3 420.513 3.668 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCC(C)CC1 ZINC000426663851 974589863 /nfs/dbraw/zinc/58/98/63/974589863.db2.gz NQLIECOWEBABRI-GOSISDBHSA-N 0 3 420.513 3.526 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1nc2ccccc2n1C ZINC000427121478 974921219 /nfs/dbraw/zinc/92/12/19/974921219.db2.gz IXZQBSSCGJLNGD-UHFFFAOYSA-N 0 3 410.591 3.714 20 30 HHEDHN N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(CN4CC[C@@H](O)C4)c3)o2)cc1 ZINC000428555539 975867175 /nfs/dbraw/zinc/86/71/75/975867175.db2.gz YJQNDLLRFNDDRV-HXUWFJFHSA-N 0 3 417.465 3.549 20 30 HHEDHN CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000429036522 976321097 /nfs/dbraw/zinc/32/10/97/976321097.db2.gz SVEGBTIZIGWNSV-JOCHJYFZSA-N 0 3 406.530 3.900 20 30 HHEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000429055287 976341894 /nfs/dbraw/zinc/34/18/94/976341894.db2.gz STLDZOPLRKOAKV-ROUUACIJSA-N 0 3 414.550 3.700 20 30 HHEDHN CC1(C)Cc2c(cccc2Br)[C@@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000429387253 976660803 /nfs/dbraw/zinc/66/08/03/976660803.db2.gz KZMDTTWSOHIUAH-FQEVSTJZSA-N 0 3 412.331 3.850 20 30 HHEDHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000429395041 976669211 /nfs/dbraw/zinc/66/92/11/976669211.db2.gz AYFOSXMGVXPVHS-NOZRDPDXSA-N 0 3 412.622 3.706 20 30 HHEDHN CC(C)N1CC[C@@H](NCC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429792829 977071508 /nfs/dbraw/zinc/07/15/08/977071508.db2.gz VCMYMJNLNJLTQY-TZIWHRDSSA-N 0 3 420.960 3.935 20 30 HHEDHN N#CCSc1cccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000430753627 977731208 /nfs/dbraw/zinc/73/12/08/977731208.db2.gz AELAGTVOKSDNSD-UHFFFAOYSA-N 0 3 408.571 3.634 20 30 HHEDHN Cc1c(C#N)cccc1NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000431694035 978440877 /nfs/dbraw/zinc/44/08/77/978440877.db2.gz GELGGVMOZNUAHQ-UHFFFAOYSA-N 0 3 405.546 3.586 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432328411 978762784 /nfs/dbraw/zinc/76/27/84/978762784.db2.gz XEUVOYOLVGQUER-FQEVSTJZSA-N 0 3 418.541 3.790 20 30 HHEDHN N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000432525692 978865187 /nfs/dbraw/zinc/86/51/87/978865187.db2.gz WHYCSJODVFHHTH-JOCHJYFZSA-N 0 3 418.541 3.838 20 30 HHEDHN N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000432525693 978865312 /nfs/dbraw/zinc/86/53/12/978865312.db2.gz WHYCSJODVFHHTH-QFIPXVFZSA-N 0 3 418.541 3.838 20 30 HHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434671687 980331513 /nfs/dbraw/zinc/33/15/13/980331513.db2.gz VNRVEAGUFIMZPH-LJQANCHMSA-N 0 3 405.546 3.734 20 30 HHEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434679775 980335782 /nfs/dbraw/zinc/33/57/82/980335782.db2.gz FQTMAAVBGXDGHX-SZTYLXMGSA-N 0 3 411.594 3.718 20 30 HHEDHN CN(CCC(=O)Nc1cccc(C#N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000434788092 980398834 /nfs/dbraw/zinc/39/88/34/980398834.db2.gz XNQCDROAXFBPLT-QUCCMNQESA-N 0 3 404.297 3.784 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)C3(c4cccc(C#N)c4)CC3)CC2)c1 ZINC000435035928 980586846 /nfs/dbraw/zinc/58/68/46/980586846.db2.gz RMAMOWKIOBMRTM-UHFFFAOYSA-N 0 3 416.569 3.617 20 30 HHEDHN N#CCCn1cc(CN2CCC(C(=O)Nc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000435137878 980668698 /nfs/dbraw/zinc/66/86/98/980668698.db2.gz OWWKXTDZPWLVLE-UHFFFAOYSA-N 0 3 414.513 3.709 20 30 HHEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000436324785 981299624 /nfs/dbraw/zinc/29/96/24/981299624.db2.gz MJKIFNBGPUKXGA-LOSJGSFVSA-N 0 3 416.569 3.887 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437193983 981851123 /nfs/dbraw/zinc/85/11/23/981851123.db2.gz KMZWNCFQKFLLQA-UHFFFAOYSA-N 0 3 420.391 3.689 20 30 HHEDHN Cc1ccc([C@@H](CNC(=O)N(C)CCOCc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000460159861 981931833 /nfs/dbraw/zinc/93/18/33/981931833.db2.gz JCPPFLXZCPHEMK-XMMPIXPASA-N 0 3 420.557 3.862 20 30 HHEDHN CCn1c(-c2ccccc2F)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460297467 982074420 /nfs/dbraw/zinc/07/44/20/982074420.db2.gz DGRJNEYBSSUOOG-UHFFFAOYSA-N 0 3 404.493 3.688 20 30 HHEDHN CC(C)Cn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460590701 982374144 /nfs/dbraw/zinc/37/41/44/982374144.db2.gz DMTOLLZTSFUGKD-UHFFFAOYSA-N 0 3 417.561 3.524 20 30 HHEDHN CCOCCCn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC000460779247 982532097 /nfs/dbraw/zinc/53/20/97/982532097.db2.gz PEEJPRRHYQCPFC-UHFFFAOYSA-N 0 3 424.593 3.586 20 30 HHEDHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438661054 982979151 /nfs/dbraw/zinc/97/91/51/982979151.db2.gz MOWUONHQNMXKCR-GOSISDBHSA-N 0 3 412.465 3.722 20 30 HHEDHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000438858475 983124407 /nfs/dbraw/zinc/12/44/07/983124407.db2.gz OLYKVJVXUHZQHI-DEOSSOPVSA-N 0 3 419.573 3.668 20 30 HHEDHN Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1C#N ZINC000441981271 984578433 /nfs/dbraw/zinc/57/84/33/984578433.db2.gz AJFLVIPRPYNLRQ-UNMCSNQZSA-N 0 3 409.555 3.542 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)CC1 ZINC000442302003 984799403 /nfs/dbraw/zinc/79/94/03/984799403.db2.gz UYCGHHVMNNPQEV-GOSISDBHSA-N 0 3 407.514 3.532 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000462190521 985172946 /nfs/dbraw/zinc/17/29/46/985172946.db2.gz LXHYKBOFEZWFQB-JPYJTQIMSA-N 0 3 412.493 3.996 20 30 HHEDHN CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](NCc2ccccc2C(C)(C)C#N)C1=O ZINC000442798686 985219610 /nfs/dbraw/zinc/21/96/10/985219610.db2.gz YTRSXWMSAHHWLT-PMACEKPBSA-N 0 3 413.562 3.545 20 30 HHEDHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NCc2ccccc2C(C)(C)C#N)C1=O ZINC000442798690 985220069 /nfs/dbraw/zinc/22/00/69/985220069.db2.gz YTRSXWMSAHHWLT-VQTJNVASSA-N 0 3 413.562 3.545 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000462252687 985236689 /nfs/dbraw/zinc/23/66/89/985236689.db2.gz CJBRSTZKMOXECI-KDOFPFPSSA-N 0 3 400.429 3.802 20 30 HHEDHN CCCc1c(NC2CCN(CCCC(=O)OC)CC2)cnn1-c1cccc(C#N)c1 ZINC000462911518 985843116 /nfs/dbraw/zinc/84/31/16/985843116.db2.gz NVAVYDIHUQKVKW-UHFFFAOYSA-N 0 3 409.534 3.526 20 30 HHEDHN COc1ccc(-c2ncc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)s2)cc1 ZINC000463122638 986087089 /nfs/dbraw/zinc/08/70/89/986087089.db2.gz KHDMCWBXRUIRDY-UHFFFAOYSA-N 0 3 420.538 3.894 20 30 HHEDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)ccc1C#N ZINC000443902042 986099813 /nfs/dbraw/zinc/09/98/13/986099813.db2.gz QOPSEVMAQXLRBQ-FYYLOGMGSA-N 0 3 409.555 3.542 20 30 HHEDHN CCN1CCN(c2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)CC1 ZINC000468649684 986362657 /nfs/dbraw/zinc/36/26/57/986362657.db2.gz VXNHQMCSHPWMIK-UHFFFAOYSA-N 0 3 404.558 3.999 20 30 HHEDHN Cc1cccc(N2CCN(CCC(=O)N(Cc3ccc(C#N)cc3)C(C)C)CC2)c1 ZINC000468687571 986399443 /nfs/dbraw/zinc/39/94/43/986399443.db2.gz AYKNPPGQGAPZMS-UHFFFAOYSA-N 0 3 404.558 3.816 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000468710712 986425508 /nfs/dbraw/zinc/42/55/08/986425508.db2.gz HRWZTIPJUGMFNK-UHFFFAOYSA-N 0 3 408.502 3.565 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463506959 986482204 /nfs/dbraw/zinc/48/22/04/986482204.db2.gz MQMWGGYBOQUMLS-ROUUACIJSA-N 0 3 401.432 3.669 20 30 HHEDHN N#CCCCOc1cccc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1 ZINC000468775510 986487772 /nfs/dbraw/zinc/48/77/72/986487772.db2.gz BHVQPXNMRAOGHP-JOCHJYFZSA-N 0 3 413.468 3.928 20 30 HHEDHN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000463634989 986610940 /nfs/dbraw/zinc/61/09/40/986610940.db2.gz FMYXOPWJDSJRHO-UHFFFAOYSA-N 0 3 409.530 3.963 20 30 HHEDHN CCOC(=O)[C@](C)(CN[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000468923365 986629749 /nfs/dbraw/zinc/62/97/49/986629749.db2.gz JHSCAIVTYDRAIB-IVZQSRNASA-N 0 3 413.905 3.649 20 30 HHEDHN C=CCN1CCC(NC(=O)N2Cc3cccc(Br)c3C[C@@H]2CC)CC1 ZINC000445095628 987207115 /nfs/dbraw/zinc/20/71/15/987207115.db2.gz VPNYWYVCABAKGE-KRWDZBQOSA-N 0 3 406.368 3.946 20 30 HHEDHN Cc1cc(N(CCC#N)C(=O)CN2CCN(C)CC23CCCCC3)ccc1Cl ZINC000470209686 988133558 /nfs/dbraw/zinc/13/35/58/988133558.db2.gz MAIQBFPBRGMVFU-UHFFFAOYSA-N 0 3 402.970 3.845 20 30 HHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464837782 989082078 /nfs/dbraw/zinc/08/20/78/989082078.db2.gz ULGPDDCSYSGELX-VXKWHMMOSA-N 0 3 404.558 3.918 20 30 HHEDHN C=CCc1ccc(OCC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c(OC)c1 ZINC000464892628 989161898 /nfs/dbraw/zinc/16/18/98/989161898.db2.gz HZXNWNDKCOQPMN-FQEVSTJZSA-N 0 3 408.542 3.926 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000471241976 989387325 /nfs/dbraw/zinc/38/73/25/989387325.db2.gz DQLKZWHZXKXAIM-GOSISDBHSA-N 0 3 423.590 3.927 20 30 HHEDHN C[C@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000466520967 991813830 /nfs/dbraw/zinc/81/38/30/991813830.db2.gz VJWRETUTPCBJQP-SIKLNZKXSA-N 0 3 418.541 3.774 20 30 HHEDHN CN(C(=O)Nc1ncccc1OCCCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466603118 991919595 /nfs/dbraw/zinc/91/95/95/991919595.db2.gz AJGPZQZMRHTEED-HXUWFJFHSA-N 0 3 407.518 3.892 20 30 HHEDHN CCN(C(=O)CCN1CCN(c2cccc(C)c2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000467295588 992621241 /nfs/dbraw/zinc/62/12/41/992621241.db2.gz RFSRNJVJDVAAHK-OAQYLSRUSA-N 0 3 404.558 3.989 20 30 HHEDHN N#Cc1ccc(CN2CCC(Nc3ccc(Cl)c(N4CCNC4=O)c3)CC2)cc1 ZINC000467406622 992713242 /nfs/dbraw/zinc/71/32/42/992713242.db2.gz KRUMPFMTQNEPBP-UHFFFAOYSA-N 0 3 409.921 3.818 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@]3(C1)OCc1ccccc13)CCC2 ZINC000481717121 994578291 /nfs/dbraw/zinc/57/82/91/994578291.db2.gz ISGUUFZQHQSUCP-QHCPKHFHSA-N 0 3 407.539 3.959 20 30 HHEDHN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)CC(C)(C)O ZINC000474178653 995168943 /nfs/dbraw/zinc/16/89/43/995168943.db2.gz UTLNZFGPRZZFLG-UHFFFAOYSA-N 0 3 414.525 3.585 20 30 HHEDHN CC1(N(CC(=O)NCc2ccc(C#N)cc2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000474287779 995280958 /nfs/dbraw/zinc/28/09/58/995280958.db2.gz YCTOUUPKTSFNKV-UHFFFAOYSA-N 0 3 405.498 3.738 20 30 HHEDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000474798571 995714495 /nfs/dbraw/zinc/71/44/95/995714495.db2.gz DBCBNIKUVLYJCN-UHFFFAOYSA-N 0 3 420.557 3.691 20 30 HHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000483406822 996157543 /nfs/dbraw/zinc/15/75/43/996157543.db2.gz MOAKVCAXBOYFBD-FUHWJXTLSA-N 0 3 414.493 3.922 20 30 HHEDHN CNC(=O)C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000483410039 996160278 /nfs/dbraw/zinc/16/02/78/996160278.db2.gz BFRSRNCHHIWXCR-IBGZPJMESA-N 0 3 424.570 3.684 20 30 HHEDHN C=CCc1cccc(C(C)C)c1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000475555130 996216870 /nfs/dbraw/zinc/21/68/70/996216870.db2.gz KSTMCSLUSNMFKG-FQEVSTJZSA-N 0 3 400.567 3.603 20 30 HHEDHN COc1ccccc1-c1nc(C2CCN(CCOc3ccccc3C#N)CC2)no1 ZINC000484323685 996703374 /nfs/dbraw/zinc/70/33/74/996703374.db2.gz RXGFRNBYZQKRIQ-UHFFFAOYSA-N 0 3 404.470 3.875 20 30 HHEDHN COc1ccccc1-c1nc(C2CCN(CCOc3ccc(C#N)cc3)CC2)no1 ZINC000484323817 996703853 /nfs/dbraw/zinc/70/38/53/996703853.db2.gz MDILKLLGSWXZED-UHFFFAOYSA-N 0 3 404.470 3.875 20 30 HHEDHN COCCN(CCC(=O)Nc1ccc(OC)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000485047147 997412514 /nfs/dbraw/zinc/41/25/14/997412514.db2.gz UVMUWIUTTYPHBJ-UHFFFAOYSA-N 0 3 401.894 3.697 20 30 HHEDHN CC(C)NC(=O)Nc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485314095 997723728 /nfs/dbraw/zinc/72/37/28/997723728.db2.gz DXYYUXDLXADFMF-VGSWGCGISA-N 0 3 419.529 3.934 20 30 HHEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000485324444 997737159 /nfs/dbraw/zinc/73/71/59/997737159.db2.gz WQQAZOUCUZGSBS-ZHRRBRCNSA-N 0 3 417.513 3.688 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c(OC)c1 ZINC000477461264 998173866 /nfs/dbraw/zinc/17/38/66/998173866.db2.gz AWNHQUVGNQIPMM-WOJBJXKFSA-N 0 3 411.498 3.729 20 30 HHEDHN Cc1ccc(Br)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000477465071 998179369 /nfs/dbraw/zinc/17/93/69/998179369.db2.gz SUCMXWSCSTZZQV-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN C=CCOc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000477511888 998232628 /nfs/dbraw/zinc/23/26/28/998232628.db2.gz QUOATOBFOHGPPX-UHFFFAOYSA-N 0 3 403.473 3.803 20 30 HHEDHN CN(C)C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000477862321 998613207 /nfs/dbraw/zinc/61/32/07/998613207.db2.gz YKIAQPGJGGKHSM-LJQANCHMSA-N 0 3 407.411 3.798 20 30 HHEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000478143476 998783999 /nfs/dbraw/zinc/78/39/99/998783999.db2.gz JOHOCNHXCPQDKE-ROUUACIJSA-N 0 3 424.570 3.514 20 30 HHEDHN COc1ccc(C#N)cc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486838233 998965704 /nfs/dbraw/zinc/96/57/04/998965704.db2.gz FLOCMGLCVZSGDY-AUSIDOKSSA-N 0 3 401.470 3.566 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)CC1 ZINC000478749165 999121152 /nfs/dbraw/zinc/12/11/52/999121152.db2.gz UZAFWXIAKZPGEM-UHFFFAOYSA-N 0 3 416.529 3.765 20 30 HHEDHN Cc1cc(Br)ccc1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000487730248 999269001 /nfs/dbraw/zinc/26/90/01/999269001.db2.gz UHZNJJYCPGZOAE-UHFFFAOYSA-N 0 3 414.347 3.762 20 30 HHEDHN CN(C)C(=O)Nc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000479054623 999270354 /nfs/dbraw/zinc/27/03/54/999270354.db2.gz ZWJQGMWZJKFFDD-UHFFFAOYSA-N 0 3 402.502 3.847 20 30 HHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000488305533 999431987 /nfs/dbraw/zinc/43/19/87/999431987.db2.gz FEEKTBHFCZQTOE-IAGOWNOFSA-N 0 3 402.564 3.655 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)CC1 ZINC000488791100 999608786 /nfs/dbraw/zinc/60/87/86/999608786.db2.gz DKAOFFDWWNOPFS-MRXNPFEDSA-N 0 3 408.949 3.740 20 30 HHEDHN N#Cc1c(C#N)c2c(nc1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)CCCCCC2 ZINC000480084655 999712916 /nfs/dbraw/zinc/71/29/16/999712916.db2.gz KCYHSGWFWZEIJQ-PMACEKPBSA-N 0 3 415.541 3.531 20 30 HHEDHN Cn1cc(CN2CCC(NC(=O)Nc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491228141 1000056788 /nfs/dbraw/zinc/05/67/88/1000056788.db2.gz MSYCZNBKNAUOOB-UHFFFAOYSA-N 0 3 414.513 3.745 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Br)s1 ZINC000504802039 1000375952 /nfs/dbraw/zinc/37/59/52/1000375952.db2.gz QTINAZSCXHJADB-UHFFFAOYSA-N 0 3 421.364 3.656 20 30 HHEDHN Cc1ccc(-c2cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)[nH]n2)c(C)c1 ZINC000494841431 1000689043 /nfs/dbraw/zinc/68/90/43/1000689043.db2.gz BWDSNONOKKYBTB-UHFFFAOYSA-N 0 3 401.514 3.769 20 30 HHEDHN C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000505598371 1000927168 /nfs/dbraw/zinc/92/71/68/1000927168.db2.gz YUXZNBFVYCFGFY-GCJKJVERSA-N 0 3 401.514 3.885 20 30 HHEDHN CN(CCC(=O)Nc1ccccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000505784985 1001022138 /nfs/dbraw/zinc/02/21/38/1001022138.db2.gz RRSOQPIIIRTFKE-UYAOXDASSA-N 0 3 404.297 3.784 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000496393301 1001170553 /nfs/dbraw/zinc/17/05/53/1001170553.db2.gz HESULFNAAQYAOD-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN Cc1cc(NC(=O)C2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)no1 ZINC000506279639 1001325744 /nfs/dbraw/zinc/32/57/44/1001325744.db2.gz KLDBOSWVIAXKRK-UHFFFAOYSA-N 0 3 418.501 3.611 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)c(F)c1 ZINC000498373864 1001804681 /nfs/dbraw/zinc/80/46/81/1001804681.db2.gz PPWNAWRYROMPNC-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000498381582 1001811711 /nfs/dbraw/zinc/81/17/11/1001811711.db2.gz FNJNPXLRGUQEIN-UHFFFAOYSA-N 0 3 421.932 3.660 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000498382529 1001812934 /nfs/dbraw/zinc/81/29/34/1001812934.db2.gz CZWLSUHVFXEJOG-UHFFFAOYSA-N 0 3 412.440 3.845 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000498386119 1001816395 /nfs/dbraw/zinc/81/63/95/1001816395.db2.gz RYWUHXYJILUAOS-UHFFFAOYSA-N 0 3 422.529 3.954 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Br)cc2Br)CC1 ZINC000507296520 1001980324 /nfs/dbraw/zinc/98/03/24/1001980324.db2.gz WGUXSERBYJPVIS-UHFFFAOYSA-N 0 3 416.157 3.982 20 30 HHEDHN C=CCOc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1 ZINC000508446370 1002933192 /nfs/dbraw/zinc/93/31/92/1002933192.db2.gz NATZHXSVMQHFAM-UHFFFAOYSA-N 0 3 403.473 3.803 20 30 HHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1c(F)cccc1C#N ZINC000508550904 1003024040 /nfs/dbraw/zinc/02/40/40/1003024040.db2.gz IYWKNHYFUQWLQE-UHFFFAOYSA-N 0 3 407.411 3.849 20 30 HHEDHN Cc1nn2c(CN[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)c(C(C)C)nc2s1 ZINC000499706363 1003055770 /nfs/dbraw/zinc/05/57/70/1003055770.db2.gz QTWRPTWJOYQYOZ-MRXNPFEDSA-N 0 3 412.538 3.992 20 30 HHEDHN N#Cc1ccc(N2CCC(C(=O)N3CCN(CC4CCCCC4)CC3)CC2)c(F)c1 ZINC000508704413 1003141958 /nfs/dbraw/zinc/14/19/58/1003141958.db2.gz SRLCJVUMEHRGJW-UHFFFAOYSA-N 0 3 412.553 3.638 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCCC1(C#N)CCOCC1 ZINC000499931090 1003255163 /nfs/dbraw/zinc/25/51/63/1003255163.db2.gz XIGXAOYUGJPZMQ-UHFFFAOYSA-N 0 3 403.596 3.685 20 30 HHEDHN C=CCn1c(COc2ccccc2OC)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508868424 1003288696 /nfs/dbraw/zinc/28/86/96/1003288696.db2.gz VFUABBKHMUUTRU-UHFFFAOYSA-N 0 3 413.566 3.610 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000509370944 1003799680 /nfs/dbraw/zinc/79/96/80/1003799680.db2.gz HKIDQCMSCXYFDW-DEOSSOPVSA-N 0 3 420.557 3.976 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@](O)(C(F)(F)F)CC1)CCCC2 ZINC000512562345 1004387138 /nfs/dbraw/zinc/38/71/38/1004387138.db2.gz UFWBGZLVTLKWDU-GOSISDBHSA-N 0 3 415.481 3.606 20 30 HHEDHN CC1CCN(C(=O)C2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)CC1 ZINC000510425147 1004558155 /nfs/dbraw/zinc/55/81/55/1004558155.db2.gz BECJAOVALAHGNA-UHFFFAOYSA-N 0 3 419.573 3.934 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000512831373 1004589463 /nfs/dbraw/zinc/58/94/63/1004589463.db2.gz CILBWHUDAJJLDM-RDPSFJRHSA-N 0 3 424.516 3.996 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000512831374 1004589528 /nfs/dbraw/zinc/58/95/28/1004589528.db2.gz CILBWHUDAJJLDM-YKSBVNFPSA-N 0 3 424.516 3.996 20 30 HHEDHN CNC(=O)COc1cccc(CNCc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000513096897 1004803951 /nfs/dbraw/zinc/80/39/51/1004803951.db2.gz XIDDSCDXTLMGJY-UHFFFAOYSA-N 0 3 415.493 3.552 20 30 HHEDHN C[C@@H]1C[C@H](c2ccccc2)N(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000513241054 1004876502 /nfs/dbraw/zinc/87/65/02/1004876502.db2.gz GLGVQNSIJBEWKD-NRSPTQNISA-N 0 3 408.571 3.540 20 30 HHEDHN CC(C)N(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)N1CCCCCC1 ZINC000513262097 1004884664 /nfs/dbraw/zinc/88/46/64/1004884664.db2.gz QTMDMQXWNNMEAQ-UHFFFAOYSA-N 0 3 404.942 3.653 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)N(C)C)cc1 ZINC000511010744 1004978774 /nfs/dbraw/zinc/97/87/74/1004978774.db2.gz BRVQZUOSJNAZRQ-HRTMPFAESA-N 0 3 421.545 3.554 20 30 HHEDHN N#Cc1ccc(CN2CC[C@H](N[C@H]3CCc4ccc(Br)cc43)C2=O)cc1 ZINC000511052895 1004998461 /nfs/dbraw/zinc/99/84/61/1004998461.db2.gz ZQUCHNMZLLXQBN-PMACEKPBSA-N 0 3 410.315 3.699 20 30 HHEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(OC)cc2OC)CC2CCC2)CC1 ZINC000511435150 1005174788 /nfs/dbraw/zinc/17/47/88/1005174788.db2.gz AOGREZBFIDTKEC-UHFFFAOYSA-N 0 3 401.551 3.666 20 30 HHEDHN Cc1cc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)nn1-c1cccc(C#N)c1 ZINC000502927551 1005278334 /nfs/dbraw/zinc/27/83/34/1005278334.db2.gz CPJCTZMGFVBWTJ-IBGZPJMESA-N 0 3 419.554 3.756 20 30 HHEDHN CCCc1noc2nc(CC)cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c12 ZINC000503183384 1005363958 /nfs/dbraw/zinc/36/39/58/1005363958.db2.gz VAZSQARRQPOOBD-UHFFFAOYSA-N 0 3 419.529 3.813 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1Br ZINC000503351415 1005395727 /nfs/dbraw/zinc/39/57/27/1005395727.db2.gz YHMMVVSOAWKZSZ-UHFFFAOYSA-N 0 3 401.308 3.916 20 30 HHEDHN N#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c(Cl)c1 ZINC000503474594 1005431499 /nfs/dbraw/zinc/43/14/99/1005431499.db2.gz CXUJRMNNHFAHTQ-UHFFFAOYSA-N 0 3 403.935 3.676 20 30 HHEDHN C=CCCc1ccccc1NC(=O)C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000504449194 1005632135 /nfs/dbraw/zinc/63/21/35/1005632135.db2.gz QBBLZHNHEABACM-UHFFFAOYSA-N 0 3 421.541 3.511 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000531449961 1006204521 /nfs/dbraw/zinc/20/45/21/1006204521.db2.gz WPRWWQAVFJOMLD-FXKZBUDASA-N 0 3 407.514 3.873 20 30 HHEDHN Cc1cc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F ZINC000515511320 1006506916 /nfs/dbraw/zinc/50/69/16/1006506916.db2.gz BKGSWQBIGMLYMJ-LJQANCHMSA-N 0 3 422.447 3.988 20 30 HHEDHN Cc1nc(SCC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c(C#N)c(C)c1C ZINC000515774621 1006661899 /nfs/dbraw/zinc/66/18/99/1006661899.db2.gz AGPKVIXNIOUTSE-NRFANRHFSA-N 0 3 408.571 3.924 20 30 HHEDHN COc1ccc([C@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)c2nccn2C)cc1 ZINC000538398764 1006666087 /nfs/dbraw/zinc/66/60/87/1006666087.db2.gz TVUVEGFLOBMWOJ-DEOSSOPVSA-N 0 3 415.541 3.644 20 30 HHEDHN CC(C)Cn1ncc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1C(F)F ZINC000534735795 1006725736 /nfs/dbraw/zinc/72/57/36/1006725736.db2.gz MAQNQNNHZFCODP-UHFFFAOYSA-N 0 3 403.477 3.552 20 30 HHEDHN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000516070651 1006864291 /nfs/dbraw/zinc/86/42/91/1006864291.db2.gz XUSGQSSQNOGQML-UHFFFAOYSA-N 0 3 421.545 3.601 20 30 HHEDHN COC(=O)c1cccc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1C#N ZINC000538665161 1006946424 /nfs/dbraw/zinc/94/64/24/1006946424.db2.gz XKNNVOYFMJJFTG-GOSISDBHSA-N 0 3 407.518 3.890 20 30 HHEDHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000532551870 1006982782 /nfs/dbraw/zinc/98/27/82/1006982782.db2.gz BAOMBBTUDDAMGW-HSZRJFAPSA-N 0 3 417.488 3.757 20 30 HHEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000532734634 1007144804 /nfs/dbraw/zinc/14/48/04/1007144804.db2.gz WMPXDEBZMSURGZ-UHFFFAOYSA-N 0 3 420.561 3.710 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000516994168 1007362711 /nfs/dbraw/zinc/36/27/11/1007362711.db2.gz FPSOFEKHKYMOPG-NRFANRHFSA-N 0 3 408.502 3.542 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C(C)C)C2CCOCC2)c1C#N ZINC000533073395 1007435850 /nfs/dbraw/zinc/43/58/50/1007435850.db2.gz IAVNOEWJQXCLEG-UHFFFAOYSA-N 0 3 412.509 3.933 20 30 HHEDHN CC[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000539276980 1007571621 /nfs/dbraw/zinc/57/16/21/1007571621.db2.gz SEEIURSXXBKFSD-UZLBHIALSA-N 0 3 411.477 3.973 20 30 HHEDHN COC(=O)c1c(C)c(C)sc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000517474173 1007699874 /nfs/dbraw/zinc/69/98/74/1007699874.db2.gz VWUCLALSBMRRAI-UHFFFAOYSA-N 0 3 414.531 3.619 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N1CCC[C@H](C)C1 ZINC000517524798 1007744820 /nfs/dbraw/zinc/74/48/20/1007744820.db2.gz LXLPEEYWPNGQGF-ZWKOTPCHSA-N 0 3 420.513 3.526 20 30 HHEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC000518333276 1008265336 /nfs/dbraw/zinc/26/53/36/1008265336.db2.gz PYSXMXDRBATBQO-NRFANRHFSA-N 0 3 404.986 3.644 20 30 HHEDHN N#Cc1ccccc1-c1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000540202025 1008334120 /nfs/dbraw/zinc/33/41/20/1008334120.db2.gz XEPGZMUCVDWHOI-UHFFFAOYSA-N 0 3 403.526 3.877 20 30 HHEDHN O=C(CN[C@H](c1ccccc1)[C@H]1CCOC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000540389581 1008412864 /nfs/dbraw/zinc/41/28/64/1008412864.db2.gz PBXOVXOHPMDTEM-SIKLNZKXSA-N 0 3 416.443 3.541 20 30 HHEDHN C=CCN1CCC(NC(=O)CCOc2ccc(Cl)cc2Br)CC1 ZINC000519274561 1008684913 /nfs/dbraw/zinc/68/49/13/1008684913.db2.gz AYZVOLFKXSMBQV-UHFFFAOYSA-N 0 3 401.732 3.638 20 30 HHEDHN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000549601026 1009229600 /nfs/dbraw/zinc/22/96/00/1009229600.db2.gz CIPMKPNNTSBFTG-HSZRJFAPSA-N 0 3 423.605 3.945 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000520437319 1009552290 /nfs/dbraw/zinc/55/22/90/1009552290.db2.gz RNNXYOFSYGTSJX-NFBKMPQASA-N 0 3 417.557 3.615 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544142914 1009751850 /nfs/dbraw/zinc/75/18/50/1009751850.db2.gz DLYVQMDLJNWLKT-GOSISDBHSA-N 0 3 419.447 3.529 20 30 HHEDHN Cc1cc(C)cc([C@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)c1 ZINC000544188969 1009791344 /nfs/dbraw/zinc/79/13/44/1009791344.db2.gz JVZCYCLDHIWBGW-RBBKRZOGSA-N 0 3 422.598 3.563 20 30 HHEDHN CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546913555 1009871798 /nfs/dbraw/zinc/87/17/98/1009871798.db2.gz YSIUXSKMFKPMCO-JOCHJYFZSA-N 0 3 418.541 3.790 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000544335996 1009960219 /nfs/dbraw/zinc/96/02/19/1009960219.db2.gz LGDXOSJQVKOSNL-LJQANCHMSA-N 0 3 411.477 3.573 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)CC1 ZINC000520926853 1009981696 /nfs/dbraw/zinc/98/16/96/1009981696.db2.gz BDORMYBUJPNTHU-UHFFFAOYSA-N 0 3 418.541 3.992 20 30 HHEDHN CS(=O)(=O)Cc1cccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000520964950 1010009452 /nfs/dbraw/zinc/00/94/52/1010009452.db2.gz JQKZWOVXGGSXPD-UHFFFAOYSA-N 0 3 420.534 3.972 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000521595801 1010492008 /nfs/dbraw/zinc/49/20/08/1010492008.db2.gz MWULIVCYAPHJLK-GOSISDBHSA-N 0 3 424.545 3.680 20 30 HHEDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 ZINC000551541183 1010648078 /nfs/dbraw/zinc/64/80/78/1010648078.db2.gz VIGRUVIBKRXSSU-NRFANRHFSA-N 0 3 419.481 3.772 20 30 HHEDHN COCCN1CCC[C@@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000522633308 1011126011 /nfs/dbraw/zinc/12/60/11/1011126011.db2.gz KXKIYKBAXHLPGZ-LJQANCHMSA-N 0 3 413.905 3.845 20 30 HHEDHN Cn1ccnc1[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000540597186 1011252822 /nfs/dbraw/zinc/25/28/22/1011252822.db2.gz MQNIZAJQZWRTPV-QHCPKHFHSA-N 0 3 403.505 3.774 20 30 HHEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000536442291 1011661319 /nfs/dbraw/zinc/66/13/19/1011661319.db2.gz NGSNZQUTJVRFIQ-UHFFFAOYSA-N 0 3 416.481 3.655 20 30 HHEDHN CCOC(=O)C1CCN(C(=O)CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541086304 1011728874 /nfs/dbraw/zinc/72/88/74/1011728874.db2.gz CWNQVBXIPCQCTA-SFHVURJKSA-N 0 3 419.525 3.678 20 30 HHEDHN N#Cc1cccc(OCc2ccoc2C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000523253147 1011736676 /nfs/dbraw/zinc/73/66/76/1011736676.db2.gz RTEOIOAZODWPOC-UHFFFAOYSA-N 0 3 415.493 3.908 20 30 HHEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CN1Cc1ccccc1 ZINC000541098504 1011744533 /nfs/dbraw/zinc/74/45/33/1011744533.db2.gz KSCDEURZRQKHSK-VQIMIIECSA-N 0 3 418.476 3.668 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN[C@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000541380432 1012098535 /nfs/dbraw/zinc/09/85/35/1012098535.db2.gz LCPUKQGSIPUFPH-FYYLOGMGSA-N 0 3 410.493 3.591 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cc(Br)cc(Br)c2)CC1 ZINC000536905041 1012166319 /nfs/dbraw/zinc/16/63/19/1012166319.db2.gz NXKJKQGLBKAMEE-UHFFFAOYSA-N 0 3 402.130 3.592 20 30 HHEDHN N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000552211011 1012224005 /nfs/dbraw/zinc/22/40/05/1012224005.db2.gz FRLGDXMRLJGUIZ-FQEVSTJZSA-N 0 3 424.495 3.623 20 30 HHEDHN COc1ccc([C@H](Cc2ccc(F)cc2)NCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000537074155 1012415923 /nfs/dbraw/zinc/41/59/23/1012415923.db2.gz WYNSTLAHNUXAGD-DEOSSOPVSA-N 0 3 417.484 3.896 20 30 HHEDHN Cc1cccc([C@H]2CCCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000537162180 1012562824 /nfs/dbraw/zinc/56/28/24/1012562824.db2.gz OEFMGNJXZMBHCS-RTWAWAEBSA-N 0 3 408.571 3.603 20 30 HHEDHN CC(C)[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000537173074 1012578810 /nfs/dbraw/zinc/57/88/10/1012578810.db2.gz ZWGKAQHTJJVDQB-LADGPHEKSA-N 0 3 408.521 3.521 20 30 HHEDHN CCCN(C)[C@H](CNC(=O)COc1ccc(C#N)cc1OC)c1ccc(Cl)cc1 ZINC000552683883 1012694349 /nfs/dbraw/zinc/69/43/49/1012694349.db2.gz KGWJGDQSMYQZDP-LJQANCHMSA-N 0 3 415.921 3.798 20 30 HHEDHN CC[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000537289582 1012747225 /nfs/dbraw/zinc/74/72/25/1012747225.db2.gz IAZIPMRYDRRBEU-MOPGFXCFSA-N 0 3 416.978 3.851 20 30 HHEDHN C[C@@H]1CCCN(CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552814777 1012822558 /nfs/dbraw/zinc/82/25/58/1012822558.db2.gz KWJAPFUAYKLVQW-QGZVFWFLSA-N 0 3 402.970 3.666 20 30 HHEDHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001212054026 1071936494 /nfs/dbraw/zinc/93/64/94/1071936494.db2.gz VGQBGMUAVXMXHD-HNHYXYPQSA-N 0 3 422.316 3.952 20 30 HHEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000587846439 1072707066 /nfs/dbraw/zinc/70/70/66/1072707066.db2.gz HOVSSPGBEXPZNF-SIKLNZKXSA-N 0 3 420.532 3.647 20 30 HHEDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cc3ccccc3n2CC#N)N(C)C)cc1 ZINC000588780287 1073205600 /nfs/dbraw/zinc/20/56/00/1073205600.db2.gz KRMGCXRZNWZWFW-QHCPKHFHSA-N 0 3 404.514 3.985 20 30 HHEDHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000555244118 1073286458 /nfs/dbraw/zinc/28/64/58/1073286458.db2.gz YAVPXLAMUOUINL-KDURUIRLSA-N 0 3 412.582 3.565 20 30 HHEDHN C[C@@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c(Br)c1 ZINC000590192830 1073637057 /nfs/dbraw/zinc/63/70/57/1073637057.db2.gz HFEUHGQHIURLFY-CJNGLKHVSA-N 0 3 407.283 3.745 20 30 HHEDHN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000591415386 1074280743 /nfs/dbraw/zinc/28/07/43/1074280743.db2.gz ZRBLEXNRNJWBCN-OAQYLSRUSA-N 0 3 404.558 3.503 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccc(Br)cc3)c2CC)CC1 ZINC000592068662 1074686701 /nfs/dbraw/zinc/68/67/01/1074686701.db2.gz QGEWUIKFUSFVFT-UHFFFAOYSA-N 0 3 417.351 3.577 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)CC1 ZINC000592075600 1074687831 /nfs/dbraw/zinc/68/78/31/1074687831.db2.gz PZBHTWBKAFVTKX-UHFFFAOYSA-N 0 3 403.530 3.714 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CC1 ZINC000592524168 1074771647 /nfs/dbraw/zinc/77/16/47/1074771647.db2.gz QEENKNGNWYZDNQ-SFHVURJKSA-N 0 3 416.324 3.866 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2ccnc(Oc3ccc(OCC)cc3)c2)CC1 ZINC000592503143 1074773515 /nfs/dbraw/zinc/77/35/15/1074773515.db2.gz QZYQFWSSGBFTGN-UHFFFAOYSA-N 0 3 410.518 3.722 20 30 HHEDHN C=CCN1CCC(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000592527877 1074781613 /nfs/dbraw/zinc/78/16/13/1074781613.db2.gz HSXQHXZKNVXIQN-UHFFFAOYSA-N 0 3 400.498 3.705 20 30 HHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nnc(C3CCCC3)o2)cc1Cl ZINC000761038387 1075235795 /nfs/dbraw/zinc/23/57/95/1075235795.db2.gz RJOYAOJPQBCPGR-CQSZACIVSA-N 0 3 416.865 3.669 20 30 HHEDHN Cn1cc(-c2ccc3c(c2)N(C(=O)C2CN(CC(C)(C)CCC#N)C2)CC3(C)C)cn1 ZINC000595282966 1075425655 /nfs/dbraw/zinc/42/56/55/1075425655.db2.gz MORBDNMEDZJQML-UHFFFAOYSA-N 0 3 419.573 3.973 20 30 HHEDHN N#Cc1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)nc2ccc([N+](=O)[O-])cc12 ZINC000302774148 971314145 /nfs/dbraw/zinc/31/41/45/971314145.db2.gz DLBKJIOGJDVBMN-FQEVSTJZSA-N 0 3 417.469 3.718 20 30 HHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2nnn(-c3ccc4ncccc4c3)c2C)cc1 ZINC000303332550 971636395 /nfs/dbraw/zinc/63/63/95/971636395.db2.gz JYWRYDXRQQHRTD-FQEVSTJZSA-N 0 3 424.464 3.648 20 30 HHEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000303470751 971772822 /nfs/dbraw/zinc/77/28/22/971772822.db2.gz HOPHRNYVXMOMRA-BWAGFHJFSA-N 0 3 409.574 3.537 20 30 HHEDHN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)cc1 ZINC000048854720 964078745 /nfs/dbraw/zinc/07/87/45/964078745.db2.gz WNAROHIHCSTESJ-IBGZPJMESA-N 0 3 407.495 3.754 20 30 HHEDHN COC(=O)C[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C1CCCCC1 ZINC000542529493 1013471843 /nfs/dbraw/zinc/47/18/43/1013471843.db2.gz GSHCPTFVZVIPLW-JXFKEZNVSA-N 0 3 403.498 3.562 20 30 HHEDHN CC(C)COc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000052560708 964930421 /nfs/dbraw/zinc/93/04/21/964930421.db2.gz VMDGQVYCIREUBF-UHFFFAOYSA-N 0 3 408.546 3.866 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054223091 965432869 /nfs/dbraw/zinc/43/28/69/965432869.db2.gz ABILOEDQUBBSPL-RXVVDRJESA-N 0 3 407.514 3.678 20 30 HHEDHN N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1 ZINC000029980544 965581442 /nfs/dbraw/zinc/58/14/42/965581442.db2.gz ABJLNJGUMOMRHL-UHFFFAOYSA-N 0 3 419.916 3.950 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000058580518 965793307 /nfs/dbraw/zinc/79/33/07/965793307.db2.gz WGHLJMLTHLTNOZ-SFHVURJKSA-N 0 3 420.340 3.817 20 30 HHEDHN N#CC(C(=O)c1ccc(-n2cnnn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041515038 966583577 /nfs/dbraw/zinc/58/35/77/966583577.db2.gz PJFWGMCKPMSJGC-MRXNPFEDSA-N 0 3 406.858 3.929 20 30 HHEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1C)C(C)C ZINC000062205260 966623224 /nfs/dbraw/zinc/62/32/24/966623224.db2.gz PZZNRYOOCCTHRP-GOSISDBHSA-N 0 3 422.367 3.511 20 30 HHEDHN C=CCN(CC(=O)N1CCCN(Cc2ccccc2C)CC1)Cc1cccc(C#N)c1 ZINC000063300032 966807063 /nfs/dbraw/zinc/80/70/63/966807063.db2.gz YSNSGEMEDHXPAX-UHFFFAOYSA-N 0 3 416.569 3.589 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000043076690 966896961 /nfs/dbraw/zinc/89/69/61/966896961.db2.gz FVPHPXGWKIYLGM-UHFFFAOYSA-N 0 3 404.436 3.850 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)n1 ZINC000542837837 1013699667 /nfs/dbraw/zinc/69/96/67/1013699667.db2.gz SAXQNCYMDWLLDV-SFHVURJKSA-N 0 3 418.476 3.669 20 30 HHEDHN N#CC(C(=O)c1ccc2c(c1)NC(=O)CO2)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714726 967273944 /nfs/dbraw/zinc/27/39/44/967273944.db2.gz NACKOMFHDSZZOO-LLVKDONJSA-N 0 3 411.389 3.909 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000048239154 968496482 /nfs/dbraw/zinc/49/64/82/968496482.db2.gz FLEOHFZNHDXNFD-UHFFFAOYSA-N 0 3 405.420 3.590 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000065930452 968720464 /nfs/dbraw/zinc/72/04/64/968720464.db2.gz DHSYFJVHRVBNFZ-UHFFFAOYSA-N 0 3 405.420 3.590 20 30 HHEDHN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000071928378 968891831 /nfs/dbraw/zinc/89/18/31/968891831.db2.gz GVOWDGGCXCBUNU-GOSISDBHSA-N 0 3 424.526 3.864 20 30 HHEDHN COc1cccc([C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)N2CCCC2)c1 ZINC000554234287 1013865107 /nfs/dbraw/zinc/86/51/07/1013865107.db2.gz VBCYUKJVQQBGSB-JOCHJYFZSA-N 0 3 404.514 3.692 20 30 HHEDHN CC(=O)Nc1ccc(S[C@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000108269459 969369187 /nfs/dbraw/zinc/36/91/87/969369187.db2.gz UBNUXEHKEGASEE-QGZVFWFLSA-N 0 3 424.570 3.588 20 30 HHEDHN COc1cccc(CN2CCC(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)CC2)c1 ZINC000108538006 969391246 /nfs/dbraw/zinc/39/12/46/969391246.db2.gz ACECJSBLSNJTIQ-XMMPIXPASA-N 0 3 421.541 3.751 20 30 HHEDHN C[C@@H]1CN(CC2CCN(CC(=O)c3cn(CCC#N)c4ccccc34)CC2)C[C@@H](C)O1 ZINC000110991031 969755516 /nfs/dbraw/zinc/75/55/16/969755516.db2.gz GPSAYGSZSYHBHO-WOJBJXKFSA-N 0 3 422.573 3.559 20 30 HHEDHN CCCOc1c(Cl)cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc1OCC ZINC000138965086 970017109 /nfs/dbraw/zinc/01/71/09/970017109.db2.gz XVJCWVVTUURYKJ-AWEZNQCLSA-N 0 3 401.850 3.884 20 30 HHEDHN CN(C)C(=O)[C@@H](Cc1ccccc1)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237016063 970207682 /nfs/dbraw/zinc/20/76/82/970207682.db2.gz NDEJLWLKTRCHLK-RUZDIDTESA-N 0 3 413.521 3.926 20 30 HHEDHN CN(C)C(=O)[C@@H](Cc1ccccc1)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000237016150 970207939 /nfs/dbraw/zinc/20/79/39/970207939.db2.gz VHXOTYGKLXJOOJ-RUZDIDTESA-N 0 3 413.521 3.926 20 30 HHEDHN CN(C)C(=O)[C@H](Cc1ccccc1)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000237026579 970209597 /nfs/dbraw/zinc/20/95/97/970209597.db2.gz VHXOTYGKLXJOOJ-VWLOTQADSA-N 0 3 413.521 3.926 20 30 HHEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255958984 970612437 /nfs/dbraw/zinc/61/24/37/970612437.db2.gz JPPRQLSPKDZEHF-UYAOXDASSA-N 0 3 404.297 3.784 20 30 HHEDHN CN1CCC[C@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H]1c1cccs1 ZINC000409734056 973208181 /nfs/dbraw/zinc/20/81/81/973208181.db2.gz NBMWEXSISJVWIE-DYESRHJHSA-N 0 3 405.527 3.618 20 30 HHEDHN CN1CCC[C@@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1cccs1 ZINC000409734059 973208684 /nfs/dbraw/zinc/20/86/84/973208684.db2.gz NBMWEXSISJVWIE-UWJYYQICSA-N 0 3 405.527 3.618 20 30 HHEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426674689 974594544 /nfs/dbraw/zinc/59/45/44/974594544.db2.gz LRKPADLNVGFPLX-QZTJIDSGSA-N 0 3 420.513 3.526 20 30 HHEDHN C=CCOc1ccc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000427298528 975034310 /nfs/dbraw/zinc/03/43/10/975034310.db2.gz DCKDURKEOQTMGH-OALUTQOASA-N 0 3 416.562 3.612 20 30 HHEDHN CC(C)N(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H](C)c1ccccc1 ZINC000428851758 976139450 /nfs/dbraw/zinc/13/94/50/976139450.db2.gz RZNUJLIBPIELBJ-PZJWPPBQSA-N 0 3 410.587 3.929 20 30 HHEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429032295 976315799 /nfs/dbraw/zinc/31/57/99/976315799.db2.gz WOQDHDUKEITOTK-XMMPIXPASA-N 0 3 418.541 3.547 20 30 HHEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429039337 976324434 /nfs/dbraw/zinc/32/44/34/976324434.db2.gz DLUITNYUUOFGRP-XMMPIXPASA-N 0 3 423.557 3.684 20 30 HHEDHN CC1(C)Cc2ccc(Br)cc2[C@@H]1NCC(=O)NCc1cccc(C#N)c1 ZINC000429278409 976562575 /nfs/dbraw/zinc/56/25/75/976562575.db2.gz QUNQXPQSVIFXDD-FQEVSTJZSA-N 0 3 412.331 3.850 20 30 HHEDHN CCC1(CC)[C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@H]1OC ZINC000429314945 976584461 /nfs/dbraw/zinc/58/44/61/976584461.db2.gz ZDQXLDJNWWRCCE-WOJBJXKFSA-N 0 3 412.534 3.740 20 30 HHEDHN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430619878 977657020 /nfs/dbraw/zinc/65/70/20/977657020.db2.gz BLOJPTWKDBQBOQ-MRXNPFEDSA-N 0 3 417.556 3.779 20 30 HHEDHN N#CCCC[C@H](NCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000433011458 979041628 /nfs/dbraw/zinc/04/16/28/979041628.db2.gz ORUKSTIMBZUJKG-QHCPKHFHSA-N 0 3 424.589 3.699 20 30 HHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433320318 979234818 /nfs/dbraw/zinc/23/48/18/979234818.db2.gz RTTDDVKYOOHNCO-MDYRTPRTSA-N 0 3 406.368 3.756 20 30 HHEDHN COc1cc(CN(C)CCN2CCOC(C)(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000434708578 980349306 /nfs/dbraw/zinc/34/93/06/980349306.db2.gz SHIPXXKGWIXKAI-UHFFFAOYSA-N 0 3 423.557 3.688 20 30 HHEDHN CCCN(Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1COc2ccccc2O1 ZINC000434833412 980430944 /nfs/dbraw/zinc/43/09/44/980430944.db2.gz KSHMGYJYFCVDEF-OAQYLSRUSA-N 0 3 417.513 3.911 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)CC1 ZINC000435016735 980574161 /nfs/dbraw/zinc/57/41/61/980574161.db2.gz QLIQCXONCQDXSB-UHFFFAOYSA-N 0 3 410.301 3.941 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000436307799 981289980 /nfs/dbraw/zinc/28/99/80/981289980.db2.gz LMPGOVJCKOBVFE-RFUYNDQBSA-N 0 3 405.340 3.970 20 30 HHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000436324786 981299543 /nfs/dbraw/zinc/29/95/43/981299543.db2.gz MJKIFNBGPUKXGA-RPBOFIJWSA-N 0 3 416.569 3.887 20 30 HHEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000448321815 981698744 /nfs/dbraw/zinc/69/87/44/981698744.db2.gz OLKQRIBRTIQNEX-NRFANRHFSA-N 0 3 420.513 3.526 20 30 HHEDHN CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000460272614 982048586 /nfs/dbraw/zinc/04/85/86/982048586.db2.gz ZQGMDVCAZHCCSY-MOPGFXCFSA-N 0 3 400.530 3.936 20 30 HHEDHN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC000460381640 982160183 /nfs/dbraw/zinc/16/01/83/982160183.db2.gz SLYNLTUXGQRPTI-UHFFFAOYSA-N 0 3 423.565 3.528 20 30 HHEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000437968810 982496031 /nfs/dbraw/zinc/49/60/31/982496031.db2.gz FUUGQAHFMZEQHO-OAQYLSRUSA-N 0 3 402.498 3.924 20 30 HHEDHN C=CCN1CCC(NC(=O)NCC(CC)(CC)c2ccc(OC)c(OC)c2)CC1 ZINC000460937835 982675926 /nfs/dbraw/zinc/67/59/26/982675926.db2.gz RVCKGZQBZVDUKE-UHFFFAOYSA-N 0 3 403.567 3.711 20 30 HHEDHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000438665192 982983839 /nfs/dbraw/zinc/98/38/39/982983839.db2.gz PNGLFGBDSGPLPV-UHFFFAOYSA-N 0 3 416.591 3.601 20 30 HHEDHN N#CCC[C@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000438835149 983104486 /nfs/dbraw/zinc/10/44/86/983104486.db2.gz KNGIMTQGJSCPML-DEOSSOPVSA-N 0 3 419.573 3.933 20 30 HHEDHN COc1cccc([C@H](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)N(C)C)c1 ZINC000439133389 983266425 /nfs/dbraw/zinc/26/64/25/983266425.db2.gz RROFRCMDJGDMBE-KRWDZBQOSA-N 0 3 400.404 3.669 20 30 HHEDHN CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000439612533 983471153 /nfs/dbraw/zinc/47/11/53/983471153.db2.gz SJQXZOXBXTXNQT-XMMPIXPASA-N 0 3 414.509 3.678 20 30 HHEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439731730 983518278 /nfs/dbraw/zinc/51/82/78/983518278.db2.gz KPVJLFFORJVELH-JPYJTQIMSA-N 0 3 406.530 3.698 20 30 HHEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000439769364 983531188 /nfs/dbraw/zinc/53/11/88/983531188.db2.gz VFLXEQGHZXLHQJ-IBGZPJMESA-N 0 3 406.530 3.844 20 30 HHEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000439979405 983603211 /nfs/dbraw/zinc/60/32/11/983603211.db2.gz LZFHULSAAXIMTH-BVKOHWRASA-N 0 3 410.562 3.681 20 30 HHEDHN CC[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000440187952 983675566 /nfs/dbraw/zinc/67/55/66/983675566.db2.gz MKZQSTPOUISCKE-NRFANRHFSA-N 0 3 412.509 3.628 20 30 HHEDHN CCC[C@H]1CN(CCOc2ccc(C#N)cc2)CCN1CCOc1ccc(C#N)cc1 ZINC000440567303 983798424 /nfs/dbraw/zinc/79/84/24/983798424.db2.gz WGUQQJYLFWGPNF-QHCPKHFHSA-N 0 3 418.541 3.674 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440932389 983986475 /nfs/dbraw/zinc/98/64/75/983986475.db2.gz KKIRSKHUGQQVKD-UHFFFAOYSA-N 0 3 421.545 3.807 20 30 HHEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000441388976 984225227 /nfs/dbraw/zinc/22/52/27/984225227.db2.gz UEDINCIMLIULFH-BBRMVZONSA-N 0 3 410.331 3.911 20 30 HHEDHN Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c1C#N ZINC000441981264 984578495 /nfs/dbraw/zinc/57/84/95/984578495.db2.gz AJFLVIPRPYNLRQ-IFMALSPDSA-N 0 3 409.555 3.542 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ccc(OCC)cc2)CC1 ZINC000442279752 984788057 /nfs/dbraw/zinc/78/80/57/984788057.db2.gz YUXMLSAGMVMIGF-UHFFFAOYSA-N 0 3 423.513 3.583 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 ZINC000442301563 984799193 /nfs/dbraw/zinc/79/91/93/984799193.db2.gz FVGHQOJLMOOXMU-UHFFFAOYSA-N 0 3 420.538 3.668 20 30 HHEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCCO1 ZINC000461843289 984852432 /nfs/dbraw/zinc/85/24/32/984852432.db2.gz SICOPPPYQRUBKB-JOCHJYFZSA-N 0 3 422.577 3.555 20 30 HHEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000468166169 985844304 /nfs/dbraw/zinc/84/43/04/985844304.db2.gz AAJUTBXPGFVMHV-QGZVFWFLSA-N 0 3 410.566 3.653 20 30 HHEDHN CCN1CCN(Cc2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)CC1 ZINC000468234957 985932979 /nfs/dbraw/zinc/93/29/79/985932979.db2.gz NMIGRSPSIMQSBT-UHFFFAOYSA-N 0 3 415.497 3.603 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463017877 985975092 /nfs/dbraw/zinc/97/50/92/985975092.db2.gz YFUDWWKDUDBJPG-CYFREDJKSA-N 0 3 418.541 3.632 20 30 HHEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000443836248 986034099 /nfs/dbraw/zinc/03/40/99/986034099.db2.gz GSWQNOLEBDUAQU-UTKZUKDTSA-N 0 3 406.530 3.542 20 30 HHEDHN C[C@@H]1CCc2ccccc2N1CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000468726103 986439499 /nfs/dbraw/zinc/43/94/99/986439499.db2.gz UAZDLJKPTXARSC-HXUWFJFHSA-N 0 3 404.558 3.680 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000463485237 986460492 /nfs/dbraw/zinc/46/04/92/986460492.db2.gz RZIUGDBXWHQMQD-UHFFFAOYSA-N 0 3 424.520 3.886 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463506350 986481594 /nfs/dbraw/zinc/48/15/94/986481594.db2.gz JNOBVMAADDAIQS-ZWKOTPCHSA-N 0 3 401.432 3.669 20 30 HHEDHN CC(C)N(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CCC1 ZINC000444771514 986931149 /nfs/dbraw/zinc/93/11/49/986931149.db2.gz PNSQLCHPKZYRMQ-IBGZPJMESA-N 0 3 412.578 3.867 20 30 HHEDHN C=CC[C@H]1N(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CCCC1(C)C ZINC000444788362 986944294 /nfs/dbraw/zinc/94/42/94/986944294.db2.gz USDUJEMGBSRDOZ-OAQYLSRUSA-N 0 3 403.611 3.741 20 30 HHEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000469737449 987388459 /nfs/dbraw/zinc/38/84/59/987388459.db2.gz QNDOVVLFXINVKC-JWQCQUIFSA-N 0 3 419.569 3.971 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000470294845 988253839 /nfs/dbraw/zinc/25/38/39/988253839.db2.gz FUZNMKHLIIKGKC-UHFFFAOYSA-N 0 3 406.408 3.894 20 30 HHEDHN CCN1CCN(c2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)CC1 ZINC000470532664 988536025 /nfs/dbraw/zinc/53/60/25/988536025.db2.gz YARMKSDTDIDVQW-RPWUZVMVSA-N 0 3 402.542 3.740 20 30 HHEDHN C[C@H]1CCN(CC(=O)Nc2ccccc2SCC#N)CCN1Cc1ccccc1 ZINC000464842547 989089681 /nfs/dbraw/zinc/08/96/81/989089681.db2.gz IUMLNZCUXLUOSW-IBGZPJMESA-N 0 3 408.571 3.837 20 30 HHEDHN CC1CCN([C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000471791082 989977484 /nfs/dbraw/zinc/97/74/84/989977484.db2.gz UXBVSWYSHXPMGM-ZEQRLZLVSA-N 0 3 400.526 3.830 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCN([C@H](CC)c3ccc(F)cc3F)CC2)CC1 ZINC000465862737 990974825 /nfs/dbraw/zinc/97/48/25/990974825.db2.gz PICQSPUYYIPNDZ-JOCHJYFZSA-N 0 3 420.548 3.784 20 30 HHEDHN COc1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1OCCCC#N ZINC000466475582 991768183 /nfs/dbraw/zinc/76/81/83/991768183.db2.gz UNLZQPOADBTPHY-GHTZIAJQSA-N 0 3 407.514 3.657 20 30 HHEDHN C[C@H]1C[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000466520968 991813452 /nfs/dbraw/zinc/81/34/52/991813452.db2.gz VJWRETUTPCBJQP-UGKGYDQZSA-N 0 3 418.541 3.774 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000466531315 991830427 /nfs/dbraw/zinc/83/04/27/991830427.db2.gz TVINHQIFKSZBEZ-GHTZIAJQSA-N 0 3 408.502 3.955 20 30 HHEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000466932808 992244446 /nfs/dbraw/zinc/24/44/46/992244446.db2.gz CXORULRFKSOXKC-SCLBCKFNSA-N 0 3 410.331 3.769 20 30 HHEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000466939508 992250037 /nfs/dbraw/zinc/25/00/37/992250037.db2.gz RVQHYYJPJPTAAJ-UZUQRXQVSA-N 0 3 406.505 3.892 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000466944030 992255087 /nfs/dbraw/zinc/25/50/87/992255087.db2.gz KXWYVSNTLINBOV-UHFFFAOYSA-N 0 3 413.525 3.894 20 30 HHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000467029757 992338366 /nfs/dbraw/zinc/33/83/66/992338366.db2.gz WVZOGQFRDYQCAH-KRWDZBQOSA-N 0 3 424.549 3.823 20 30 HHEDHN C[C@@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CN1Cc1ccccc1 ZINC000467486173 992774610 /nfs/dbraw/zinc/77/46/10/992774610.db2.gz NMQDUGYIGNFULR-RHSMWYFYSA-N 0 3 400.429 3.944 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000467756106 993000979 /nfs/dbraw/zinc/00/09/79/993000979.db2.gz CSACTPMSNBANPB-CRAIPNDOSA-N 0 3 406.555 3.945 20 30 HHEDHN C=CCOc1cc(OC)ccc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473513623 994366493 /nfs/dbraw/zinc/36/64/93/994366493.db2.gz OLIZQFUSRVAMOK-UHFFFAOYSA-N 0 3 412.452 3.795 20 30 HHEDHN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000481672534 994532236 /nfs/dbraw/zinc/53/22/36/994532236.db2.gz ZXWXOQVLCABDGU-QHCPKHFHSA-N 0 3 411.571 3.943 20 30 HHEDHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000473670795 994559808 /nfs/dbraw/zinc/55/98/08/994559808.db2.gz NTOOVEVHJMQCGN-UHFFFAOYSA-N 0 3 421.545 3.888 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000473988205 994975820 /nfs/dbraw/zinc/97/58/20/994975820.db2.gz SFQNLMNGZDKXOF-NZQKXSOJSA-N 0 3 409.530 3.646 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000474221841 995216484 /nfs/dbraw/zinc/21/64/84/995216484.db2.gz AASABJOGOQEOHP-QHCPKHFHSA-N 0 3 420.557 3.538 20 30 HHEDHN C=C(C)[C@@H](NC(=O)N1CCN(c2ccncc2OC)CC1)c1ccc(F)c(F)c1 ZINC000474653597 995598387 /nfs/dbraw/zinc/59/83/87/995598387.db2.gz SWOTWKMSFRCWTR-HXUWFJFHSA-N 0 3 402.445 3.517 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000482932841 995862190 /nfs/dbraw/zinc/86/21/90/995862190.db2.gz PBQCEYILOWDSAG-GGPKGHCWSA-N 0 3 415.607 3.571 20 30 HHEDHN CN(C(=O)NCCSCc1ccccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475014312 995870493 /nfs/dbraw/zinc/87/04/93/995870493.db2.gz JXSGDZNKGABVRZ-JOCHJYFZSA-N 0 3 408.571 3.707 20 30 HHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(CC2CCC2)[C@H](C)CO)c1C#N ZINC000483132877 995994323 /nfs/dbraw/zinc/99/43/23/995994323.db2.gz GXSVEBYXOGEXSB-MRXNPFEDSA-N 0 3 400.567 3.903 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(CC2CCC2)[C@H](C)CO)c1C#N ZINC000483136620 995996488 /nfs/dbraw/zinc/99/64/88/995996488.db2.gz SCLJUARTEARTQS-OAHLLOKOSA-N 0 3 412.509 3.526 20 30 HHEDHN Cc1cccc(CC2(O)CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000475484630 996170424 /nfs/dbraw/zinc/17/04/24/996170424.db2.gz DXJWSVQDGIFKSX-UHFFFAOYSA-N 0 3 400.526 3.837 20 30 HHEDHN CC(C)OCCN1CCC(NC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000475600464 996240524 /nfs/dbraw/zinc/24/05/24/996240524.db2.gz KMFFZTPMMRGQHY-QGZVFWFLSA-N 0 3 404.580 3.949 20 30 HHEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(Cc2ccccc2)no1 ZINC000483634452 996299431 /nfs/dbraw/zinc/29/94/31/996299431.db2.gz CUEIXBITZZUBLZ-SFHVURJKSA-N 0 3 401.514 3.847 20 30 HHEDHN CC(C)[C@](C)(NCC(=O)N(CCC#N)CCC#N)c1ccc(Br)cc1 ZINC000484333556 996710169 /nfs/dbraw/zinc/71/01/69/996710169.db2.gz UCIWSRLJBKSFTJ-IBGZPJMESA-N 0 3 405.340 3.566 20 30 HHEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000477068945 997716254 /nfs/dbraw/zinc/71/62/54/997716254.db2.gz KERBISIYRRYXMW-SUMNFNSASA-N 0 3 415.584 3.867 20 30 HHEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000477076874 997729441 /nfs/dbraw/zinc/72/94/41/997729441.db2.gz POYMVKJXRIYFRM-ASHKIFAZSA-N 0 3 403.935 3.971 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000478273032 998857039 /nfs/dbraw/zinc/85/70/39/998857039.db2.gz MIVONEUSJVEYII-ZWKOTPCHSA-N 0 3 424.570 3.656 20 30 HHEDHN N#Cc1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c(Cl)c1 ZINC000486826347 998958216 /nfs/dbraw/zinc/95/82/16/998958216.db2.gz PBEVUOCVAQOIPF-IIBYNOLFSA-N 0 3 406.877 3.605 20 30 HHEDHN COc1cnccc1N1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000478452530 998967797 /nfs/dbraw/zinc/96/77/97/998967797.db2.gz QSZQSNPURFQNNW-UHFFFAOYSA-N 0 3 414.465 3.717 20 30 HHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000478492954 998992201 /nfs/dbraw/zinc/99/22/01/998992201.db2.gz VWHFQVMCSUSIDZ-UHFFFAOYSA-N 0 3 421.419 3.636 20 30 HHEDHN Cc1cc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)ccc1C#N ZINC000488197748 999411512 /nfs/dbraw/zinc/41/15/12/999411512.db2.gz UABMCWIZTVTYPU-QGZVFWFLSA-N 0 3 413.319 3.875 20 30 HHEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000488498059 999508246 /nfs/dbraw/zinc/50/82/46/999508246.db2.gz MXUDNYUCNMKHPL-FOIQADDNSA-N 0 3 417.431 3.951 20 30 HHEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000488922248 999648091 /nfs/dbraw/zinc/64/80/91/999648091.db2.gz VOSIXBTVEOKQJM-FQEVSTJZSA-N 0 3 403.526 3.803 20 30 HHEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccco1 ZINC000480270203 999760305 /nfs/dbraw/zinc/76/03/05/999760305.db2.gz MXSLIZNTGCGNGZ-WMLDXEAASA-N 0 3 410.453 3.727 20 30 HHEDHN CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000490769782 1000003690 /nfs/dbraw/zinc/00/36/90/1000003690.db2.gz AAMUFGAZJTZEOH-UHFFFAOYSA-N 0 3 416.529 3.711 20 30 HHEDHN COc1ccccc1-c1ncc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000490891571 1000020157 /nfs/dbraw/zinc/02/01/57/1000020157.db2.gz DJKPYABDSDRDFS-LJQANCHMSA-N 0 3 417.488 3.922 20 30 HHEDHN Cn1cc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491183471 1000052889 /nfs/dbraw/zinc/05/28/89/1000052889.db2.gz SGPIGZMQXUIYBX-UHFFFAOYSA-N 0 3 415.497 3.515 20 30 HHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000491571083 1000084377 /nfs/dbraw/zinc/08/43/77/1000084377.db2.gz ZUUYWXAMFNBVSJ-TZIWHRDSSA-N 0 3 419.550 3.694 20 30 HHEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[C@H]2C1 ZINC000492183098 1000114349 /nfs/dbraw/zinc/11/43/49/1000114349.db2.gz XZQWOULPRJSGHW-NQIIRXRSSA-N 0 3 408.477 3.834 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](N[C@H](c3ccc4c(c3)OCCO4)C3CC3)C2=O)cc1 ZINC000492971411 1000151751 /nfs/dbraw/zinc/15/17/51/1000151751.db2.gz FTHDFKYFINPCNC-REWPJTCUSA-N 0 3 403.482 3.566 20 30 HHEDHN C[C@H]1[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CCN1Cc1ccccc1 ZINC000494019531 1000271297 /nfs/dbraw/zinc/27/12/97/1000271297.db2.gz USNXDYYTSRKLLY-CVDCTZTESA-N 0 3 413.525 3.857 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000505262411 1000653829 /nfs/dbraw/zinc/65/38/29/1000653829.db2.gz SVHYVEDJJLLLNF-UHFFFAOYSA-N 0 3 405.502 3.502 20 30 HHEDHN C[C@@H](C1CC1)N(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000494787053 1000655957 /nfs/dbraw/zinc/65/59/57/1000655957.db2.gz YFUODYLKURIGME-QFBILLFUSA-N 0 3 410.562 3.619 20 30 HHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3ccc(N4CCOCC4)nc3)n2)cc1 ZINC000505455841 1000785306 /nfs/dbraw/zinc/78/53/06/1000785306.db2.gz RCOIHHPSTGPDMV-SFHVURJKSA-N 0 3 419.510 3.596 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000495252386 1000938075 /nfs/dbraw/zinc/93/80/75/1000938075.db2.gz ULGVBCAXBGTZNF-UHFFFAOYSA-N 0 3 422.920 3.993 20 30 HHEDHN CC(C)N1CCN(c2cccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)c2)CC1 ZINC000495365902 1000986305 /nfs/dbraw/zinc/98/63/05/1000986305.db2.gz PQWNELNCJCMHQT-UHFFFAOYSA-N 0 3 417.435 3.755 20 30 HHEDHN CN(C)C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000496202911 1001138948 /nfs/dbraw/zinc/13/89/48/1001138948.db2.gz JPLAAMRYKRMHON-HRTMPFAESA-N 0 3 424.520 3.989 20 30 HHEDHN CN(C)C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000496202924 1001138971 /nfs/dbraw/zinc/13/89/71/1001138971.db2.gz JPLAAMRYKRMHON-LZBANZJXSA-N 0 3 424.520 3.989 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)N(C)C)cc1 ZINC000506031611 1001176568 /nfs/dbraw/zinc/17/65/68/1001176568.db2.gz QPFLAWOXGMFREL-XMMPIXPASA-N 0 3 422.548 3.895 20 30 HHEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(OC(F)F)c1 ZINC000506294537 1001335345 /nfs/dbraw/zinc/33/53/45/1001335345.db2.gz JSSFRKUQUXMRAW-UHFFFAOYSA-N 0 3 401.457 3.876 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000506503083 1001442407 /nfs/dbraw/zinc/44/24/07/1001442407.db2.gz HCJLFHMQRFSSER-UHFFFAOYSA-N 0 3 416.569 3.734 20 30 HHEDHN N#CCCCOc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000506722184 1001504938 /nfs/dbraw/zinc/50/49/38/1001504938.db2.gz PSASHXLNJINNJS-UHFFFAOYSA-N 0 3 421.497 3.949 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000507847876 1002386586 /nfs/dbraw/zinc/38/65/86/1002386586.db2.gz KSNSGNBOFUDWME-OAQYLSRUSA-N 0 3 422.525 3.578 20 30 HHEDHN COc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1OCCCC#N ZINC000507987378 1002516479 /nfs/dbraw/zinc/51/64/79/1002516479.db2.gz YAJIPOKQLYGGNH-HXUWFJFHSA-N 0 3 422.529 3.932 20 30 HHEDHN C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000508508114 1002990387 /nfs/dbraw/zinc/99/03/87/1002990387.db2.gz VOIBMYPTXCYAEU-HNNXBMFYSA-N 0 3 422.360 3.596 20 30 HHEDHN CCN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000499998210 1003316185 /nfs/dbraw/zinc/31/61/85/1003316185.db2.gz GXDMTNZQMOTGIL-OXQOHEQNSA-N 0 3 424.932 3.834 20 30 HHEDHN C=CCc1cc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc(OC)c1OC ZINC000500040172 1003367846 /nfs/dbraw/zinc/36/78/46/1003367846.db2.gz OEVAIBGFZGEBDV-UHFFFAOYSA-N 0 3 423.557 3.606 20 30 HHEDHN C=CCn1c(CCC(C)C)nnc1N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000508939867 1003390328 /nfs/dbraw/zinc/39/03/28/1003390328.db2.gz VKYZXINZJVLZJV-SIKLNZKXSA-N 0 3 413.614 3.696 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000508946645 1003401042 /nfs/dbraw/zinc/40/10/42/1003401042.db2.gz AZGRCPOITNQALT-UHFFFAOYSA-N 0 3 406.313 3.834 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000508967294 1003435695 /nfs/dbraw/zinc/43/56/95/1003435695.db2.gz QOMDLKBQBVAWCC-UHFFFAOYSA-N 0 3 405.546 3.538 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000509081836 1003539469 /nfs/dbraw/zinc/53/94/69/1003539469.db2.gz UVQSWSZOXIGKFM-SQJMNOBHSA-N 0 3 406.526 3.857 20 30 HHEDHN CC1CCN(Cc2ccccc2CNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000500820529 1003979482 /nfs/dbraw/zinc/97/94/82/1003979482.db2.gz FPWQAJITAQMIKE-UHFFFAOYSA-N 0 3 415.534 3.549 20 30 HHEDHN C[C@@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000500897292 1004035962 /nfs/dbraw/zinc/03/59/62/1004035962.db2.gz XECQZWYPRRAKNW-BFQWXXPVSA-N 0 3 421.545 3.634 20 30 HHEDHN N#Cc1ccccc1COc1cccc(CN2CCC(c3ccnn3CCO)CC2)c1 ZINC000512818081 1004577899 /nfs/dbraw/zinc/57/78/99/1004577899.db2.gz PJTLUKUUKPIUTR-UHFFFAOYSA-N 0 3 416.525 3.706 20 30 HHEDHN CC(C)Oc1ccc([C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)N(C)C)cc1 ZINC000512912067 1004682290 /nfs/dbraw/zinc/68/22/90/1004682290.db2.gz NADVQDDQGHHZOC-JOCHJYFZSA-N 0 3 406.530 3.937 20 30 HHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-n3ccnc3SC)cc2)n1 ZINC000512958950 1004728994 /nfs/dbraw/zinc/72/89/94/1004728994.db2.gz QVMYFOMEDWEGSG-AWEZNQCLSA-N 0 3 412.496 3.717 20 30 HHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513108155 1004811020 /nfs/dbraw/zinc/81/10/20/1004811020.db2.gz KRWFCPWCQARJJQ-MRXNPFEDSA-N 0 3 406.465 3.525 20 30 HHEDHN N#CC(C(=O)c1ccc(-n2cnnn2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000513260222 1004883776 /nfs/dbraw/zinc/88/37/76/1004883776.db2.gz FUXQEILZWCUERU-ZDUSSCGKSA-N 0 3 408.393 3.554 20 30 HHEDHN N#CC1(CCCN(CCn2ccnc2)Cc2ccc(Br)o2)CCOCC1 ZINC000510886582 1004911373 /nfs/dbraw/zinc/91/13/73/1004911373.db2.gz DPRWVIDORUXZFP-UHFFFAOYSA-N 0 3 421.339 3.841 20 30 HHEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000513456023 1004974678 /nfs/dbraw/zinc/97/46/78/1004974678.db2.gz OOJXPKFJLVXUAQ-MRXNPFEDSA-N 0 3 409.711 3.846 20 30 HHEDHN N#Cc1ccc(CN2CC[C@H](N[C@@H]3CCc4ccc(Br)cc43)C2=O)cc1 ZINC000511052896 1004998400 /nfs/dbraw/zinc/99/84/00/1004998400.db2.gz ZQUCHNMZLLXQBN-UXHICEINSA-N 0 3 410.315 3.699 20 30 HHEDHN N#Cc1ccc(C2=CCN(C(=O)NCCCN3CCc4ccccc4C3)CC2)cc1 ZINC000502328067 1005014645 /nfs/dbraw/zinc/01/46/45/1005014645.db2.gz PFKAPRZZUVWZCE-UHFFFAOYSA-N 0 3 400.526 3.805 20 30 HHEDHN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@@H](C)C3=CCN(C)CC3)c2)c1 ZINC000511265141 1005097542 /nfs/dbraw/zinc/09/75/42/1005097542.db2.gz JQVKIABSESNSAQ-SFHVURJKSA-N 0 3 417.509 3.645 20 30 HHEDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549462 1005114567 /nfs/dbraw/zinc/11/45/67/1005114567.db2.gz YXFCJGKZKDWRNP-UHFFFAOYSA-N 0 3 406.442 3.593 20 30 HHEDHN CCN(CC)C(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000503698927 1005482575 /nfs/dbraw/zinc/48/25/75/1005482575.db2.gz JGYDLCGQEWQJOG-UHFFFAOYSA-N 0 3 421.545 3.636 20 30 HHEDHN N#C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000531114857 1006001737 /nfs/dbraw/zinc/00/17/37/1006001737.db2.gz BMTHXQJMPLRGBK-HKUYNNGSSA-N 0 3 418.419 3.573 20 30 HHEDHN C=CCc1ccc(OCC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c(OC)c1 ZINC000531395966 1006172224 /nfs/dbraw/zinc/17/22/24/1006172224.db2.gz JNSMMUWWITUUIT-UHFFFAOYSA-N 0 3 408.542 3.926 20 30 HHEDHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)CC1 ZINC000531587013 1006288888 /nfs/dbraw/zinc/28/88/88/1006288888.db2.gz CCIVMGNXTAAVNA-MOPGFXCFSA-N 0 3 415.607 3.571 20 30 HHEDHN CN(CCCN(C)C(=O)c1ccc(COc2ccccc2C#N)o1)Cc1ccncc1 ZINC000515443544 1006466642 /nfs/dbraw/zinc/46/66/42/1006466642.db2.gz CAVNIEJZIZTIOY-UHFFFAOYSA-N 0 3 418.497 3.719 20 30 HHEDHN CCCN1CCN(c2ccc(NC(=O)Cc3cccc(C#N)c3)c(OCC)c2)CC1 ZINC000515471267 1006484359 /nfs/dbraw/zinc/48/43/59/1006484359.db2.gz FTQVMSHFSSHMHN-UHFFFAOYSA-N 0 3 406.530 3.670 20 30 HHEDHN C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc2ccccc21 ZINC000538390013 1006659317 /nfs/dbraw/zinc/65/93/17/1006659317.db2.gz MNMPYSDBDMDHHV-PGRDOPGGSA-N 0 3 418.566 3.961 20 30 HHEDHN Cc1nc(SCC(=O)N[C@H](CN2CCCC2)c2ccccc2)c(C#N)c(C)c1C ZINC000515774622 1006663505 /nfs/dbraw/zinc/66/35/05/1006663505.db2.gz AGPKVIXNIOUTSE-OAQYLSRUSA-N 0 3 408.571 3.924 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)N2CCCN(C(C)(C)C)CC2)nnc1-c1ccco1 ZINC000532208261 1006722336 /nfs/dbraw/zinc/72/23/36/1006722336.db2.gz CRAIRQDXNHLYJN-UHFFFAOYSA-N 0 3 417.579 3.539 20 30 HHEDHN N#Cc1cccc(COc2cccc(CN[C@H]3CCCN(CC(F)(F)F)C3=O)c2)c1 ZINC000532569788 1007002002 /nfs/dbraw/zinc/00/20/02/1007002002.db2.gz YCGWBRQSPALJRV-FQEVSTJZSA-N 0 3 417.431 3.780 20 30 HHEDHN COc1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1OCCCC#N ZINC000538761540 1007046505 /nfs/dbraw/zinc/04/65/05/1007046505.db2.gz KMEZSIPZDPGROL-NRFANRHFSA-N 0 3 402.535 3.928 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN(C)[C@@H]2CCCc3nc(C)sc32)c(OC)c1 ZINC000532716442 1007128480 /nfs/dbraw/zinc/12/84/80/1007128480.db2.gz QHEQJGPODTZTDO-PKOBYXMFSA-N 0 3 402.560 3.938 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C(C)C)C2CCOCC2)c1C#N ZINC000532733449 1007143810 /nfs/dbraw/zinc/14/38/10/1007143810.db2.gz DSQLFKUSZBGWAL-UHFFFAOYSA-N 0 3 412.509 3.933 20 30 HHEDHN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000517002564 1007369469 /nfs/dbraw/zinc/36/94/69/1007369469.db2.gz PMVGNUFEKYHJDE-IERDGZPVSA-N 0 3 403.448 3.956 20 30 HHEDHN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000539214723 1007505588 /nfs/dbraw/zinc/50/55/88/1007505588.db2.gz WHKBCWRKASKGKM-QGZVFWFLSA-N 0 3 405.523 3.984 20 30 HHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000517243560 1007514070 /nfs/dbraw/zinc/51/40/70/1007514070.db2.gz UKKSEFVPMPAYCS-QRWLVFNGSA-N 0 3 411.468 3.771 20 30 HHEDHN COc1ccc(C[C@H](NCC(=O)NC2(C#N)CCCCC2)c2ccccc2)cc1OC ZINC000539254778 1007549020 /nfs/dbraw/zinc/54/90/20/1007549020.db2.gz SGYWIUYFDGOPME-NRFANRHFSA-N 0 3 421.541 3.920 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000539288387 1007585542 /nfs/dbraw/zinc/58/55/42/1007585542.db2.gz HEXHWCOBNCOMIZ-OALUTQOASA-N 0 3 417.513 3.867 20 30 HHEDHN Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)N(C)C)cc1 ZINC000517599574 1007801713 /nfs/dbraw/zinc/80/17/13/1007801713.db2.gz IANOHRVWLSCVBU-NFBKMPQASA-N 0 3 423.536 3.577 20 30 HHEDHN CC[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000539491576 1007803611 /nfs/dbraw/zinc/80/36/11/1007803611.db2.gz QUFFHVBQYUOHBZ-MOPGFXCFSA-N 0 3 416.978 3.851 20 30 HHEDHN C[C@@H](NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000539508124 1007817649 /nfs/dbraw/zinc/81/76/49/1007817649.db2.gz LJHAQWGEGPSXMI-LJQANCHMSA-N 0 3 411.571 3.971 20 30 HHEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000533513492 1007832644 /nfs/dbraw/zinc/83/26/44/1007832644.db2.gz IQNKEDZJBZFRRR-QFIPXVFZSA-N 0 3 403.461 3.953 20 30 HHEDHN COCc1nnc(-c2cccc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)c2)o1 ZINC000539586136 1007904742 /nfs/dbraw/zinc/90/47/42/1007904742.db2.gz ZYTCIEQAFZVYCG-CQSZACIVSA-N 0 3 402.332 3.787 20 30 HHEDHN C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N(C)Cc1ccccc1 ZINC000517703012 1007916876 /nfs/dbraw/zinc/91/68/76/1007916876.db2.gz WJAIIRPYDIIKLY-LJQANCHMSA-N 0 3 406.530 3.632 20 30 HHEDHN C=CCN(Cc1c[nH]nc1-c1ccc(OC)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831544 1008124907 /nfs/dbraw/zinc/12/49/07/1008124907.db2.gz AVLXICKZSKWGRF-QGZVFWFLSA-N 0 3 415.501 3.810 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000539890486 1008165976 /nfs/dbraw/zinc/16/59/76/1008165976.db2.gz ZGCHIJLEWUMDOR-UHFFFAOYSA-N 0 3 407.514 3.718 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000518288920 1008241271 /nfs/dbraw/zinc/24/12/71/1008241271.db2.gz VSNSOQIZLYSLFO-UHFFFAOYSA-N 0 3 422.916 4.000 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000518289329 1008241634 /nfs/dbraw/zinc/24/16/34/1008241634.db2.gz ALJICAWMLRSYIK-UHFFFAOYSA-N 0 3 419.447 3.980 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCSCc2ccccc2C#N)C1 ZINC000518402197 1008289845 /nfs/dbraw/zinc/28/98/45/1008289845.db2.gz PUQJUGHMGZSVLX-GCJKJVERSA-N 0 3 408.571 3.926 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000518512827 1008333137 /nfs/dbraw/zinc/33/31/37/1008333137.db2.gz AOHXQWJXGWNFFE-QFIPXVFZSA-N 0 3 406.530 3.706 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CC1 ZINC000518581907 1008354458 /nfs/dbraw/zinc/35/44/58/1008354458.db2.gz QPXQFPWSRJBXSX-UHFFFAOYSA-N 0 3 407.540 3.741 20 30 HHEDHN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000540458314 1008440177 /nfs/dbraw/zinc/44/01/77/1008440177.db2.gz NVKXGPDCFVNNTJ-ZCYQVOJMSA-N 0 3 405.542 3.994 20 30 HHEDHN CS[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1N(C)C ZINC000545421713 1008531198 /nfs/dbraw/zinc/53/11/98/1008531198.db2.gz CLEYIGAWBVTAFE-YADHBBJMSA-N 0 3 424.570 3.841 20 30 HHEDHN CCCN(CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1)Cc1ccc(C#N)cc1 ZINC000549216023 1008785653 /nfs/dbraw/zinc/78/56/53/1008785653.db2.gz RFKFDRGKWKQOKF-UHFFFAOYSA-N 0 3 418.585 3.813 20 30 HHEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549260249 1008830295 /nfs/dbraw/zinc/83/02/95/1008830295.db2.gz AXRZCESOVWSXCX-PMACEKPBSA-N 0 3 424.593 3.632 20 30 HHEDHN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000549303299 1008878981 /nfs/dbraw/zinc/87/89/81/1008878981.db2.gz QLJHRSJASQQVQN-BHDDXSALSA-N 0 3 409.578 3.876 20 30 HHEDHN CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000543495841 1009085329 /nfs/dbraw/zinc/08/53/29/1009085329.db2.gz DJYCCHICERJELD-RTWAWAEBSA-N 0 3 412.509 3.650 20 30 HHEDHN CS[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H]1N(C)C ZINC000546128273 1009153264 /nfs/dbraw/zinc/15/32/64/1009153264.db2.gz NYYCYZZPEISWHB-FGZHOGPDSA-N 0 3 424.570 3.841 20 30 HHEDHN C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000549655063 1009282693 /nfs/dbraw/zinc/28/26/93/1009282693.db2.gz LQKQAZHDEWRZSX-JOCHJYFZSA-N 0 3 423.561 3.821 20 30 HHEDHN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC000549655559 1009283688 /nfs/dbraw/zinc/28/36/88/1009283688.db2.gz XCGIOUSATFVUNP-IBGZPJMESA-N 0 3 401.555 3.668 20 30 HHEDHN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(CC2CC2)CC1 ZINC000549675915 1009307812 /nfs/dbraw/zinc/30/78/12/1009307812.db2.gz FXJRMZZLPMNWKI-UHFFFAOYSA-N 0 3 416.367 3.816 20 30 HHEDHN CCN(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546905955 1009863458 /nfs/dbraw/zinc/86/34/58/1009863458.db2.gz VPKUJMKFDLRJFR-QHCPKHFHSA-N 0 3 413.525 3.789 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000544301410 1009922287 /nfs/dbraw/zinc/92/22/87/1009922287.db2.gz RSRCOJZRQDUSRL-OAQYLSRUSA-N 0 3 422.529 3.712 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000544598954 1010224652 /nfs/dbraw/zinc/22/46/52/1010224652.db2.gz KIIMMMMDMWACTK-UHFFFAOYSA-N 0 3 406.515 3.672 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000521570456 1010471512 /nfs/dbraw/zinc/47/15/12/1010471512.db2.gz FYLCVMCRVNDJHK-UHFFFAOYSA-N 0 3 407.493 3.572 20 30 HHEDHN C=CCN1CCC(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)CC1 ZINC000521578142 1010476182 /nfs/dbraw/zinc/47/61/82/1010476182.db2.gz WFOQIYGIVYRJQC-UHFFFAOYSA-N 0 3 401.532 3.516 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(C)n1-c1nccs1 ZINC000521846869 1010655996 /nfs/dbraw/zinc/65/59/96/1010655996.db2.gz OPHGEAGKHKFTDW-UHFFFAOYSA-N 0 3 407.543 3.626 20 30 HHEDHN COc1ccc(Cn2cc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cn2)cc1 ZINC000551567202 1010666662 /nfs/dbraw/zinc/66/66/62/1010666662.db2.gz RMHQIAQPCJHLFG-UHFFFAOYSA-N 0 3 401.514 3.888 20 30 HHEDHN C=CCN1CCC(NC(=O)NC[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000521901464 1010695902 /nfs/dbraw/zinc/69/59/02/1010695902.db2.gz JWXKDTWYTHKGPC-AWEZNQCLSA-N 0 3 412.397 3.879 20 30 HHEDHN C[C@@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000548883956 1010752418 /nfs/dbraw/zinc/75/24/18/1010752418.db2.gz UTZLBOYSRLKMIB-NRFANRHFSA-N 0 3 416.569 3.809 20 30 HHEDHN C=CC[C@H](C)NC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000522573386 1011086804 /nfs/dbraw/zinc/08/68/04/1011086804.db2.gz QROMJICVIGLYGQ-KRWDZBQOSA-N 0 3 412.500 3.871 20 30 HHEDHN Cc1ccccc1[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1 ZINC000540591752 1011248593 /nfs/dbraw/zinc/24/85/93/1011248593.db2.gz YZNQLRWDYQENLL-NZQKXSOJSA-N 0 3 408.571 3.506 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCC[C@H]2C2CCOCC2)c1C#N ZINC000540826582 1011490164 /nfs/dbraw/zinc/49/01/64/1011490164.db2.gz MEITYSZPODDNPB-QFIPXVFZSA-N 0 3 424.520 3.934 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540981212 1011616527 /nfs/dbraw/zinc/61/65/27/1011616527.db2.gz LUCBEVAJIZSDDQ-SJLPKXTDSA-N 0 3 418.476 3.840 20 30 HHEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000536589324 1011752248 /nfs/dbraw/zinc/75/22/48/1011752248.db2.gz IDMNRMPOPOPESB-VGSWGCGISA-N 0 3 412.509 3.547 20 30 HHEDHN N#Cc1ccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)nc1 ZINC000536631130 1011786185 /nfs/dbraw/zinc/78/61/85/1011786185.db2.gz BLVCVCKAMFSGAC-UHFFFAOYSA-N 0 3 411.509 3.570 20 30 HHEDHN C=CCc1cc(CN2CCc3cc(OC)c(OC)c(OC)c3CC2)cc(OC)c1O ZINC000536667644 1011821393 /nfs/dbraw/zinc/82/13/93/1011821393.db2.gz MUBKINSXISTVQM-UHFFFAOYSA-N 0 3 413.514 3.756 20 30 HHEDHN C=CCC[C@@H](NCC(=O)N1CCC(C(=O)OC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000537127729 1012512494 /nfs/dbraw/zinc/51/24/94/1012512494.db2.gz CMJJSNRUZOTMEY-GOSISDBHSA-N 0 3 412.452 3.714 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H](C)[C@H]2COc3ccccc32)c1C#N ZINC000541694531 1012541483 /nfs/dbraw/zinc/54/14/83/1012541483.db2.gz BDDZYANCJYEFMZ-IIBYNOLFSA-N 0 3 418.497 3.711 20 30 HHEDHN C[S@](=O)C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000537160452 1012559590 /nfs/dbraw/zinc/55/95/90/1012559590.db2.gz RLTSUUOEZBPTLE-WRHNGFHOSA-N 0 3 415.584 3.537 20 30 HHEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000537225614 1012655167 /nfs/dbraw/zinc/65/51/67/1012655167.db2.gz VHULBYSPIBVLLA-ZUZCIYMTSA-N 0 3 403.832 3.800 20 30 HHEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000537249380 1012694437 /nfs/dbraw/zinc/69/44/37/1012694437.db2.gz REICLPPKVJLLPJ-QPPBQGQZSA-N 0 3 422.598 3.978 20 30 HHEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000537249649 1012696102 /nfs/dbraw/zinc/69/61/02/1012696102.db2.gz OAVZOOSVKVAQFE-RTWAWAEBSA-N 0 3 410.587 3.930 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553032853 1013009425 /nfs/dbraw/zinc/00/94/25/1013009425.db2.gz BGXKIEFQMQXNMC-KNQAVFIVSA-N 0 3 420.532 3.647 20 30 HHEDHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001212054005 1071935919 /nfs/dbraw/zinc/93/59/19/1071935919.db2.gz UUTUEMGQPGEUCO-JVPBZIDWSA-N 0 3 409.534 3.943 20 30 HHEDHN CSc1cccc(N(C(=O)Cc2cccc(OCC#N)c2)C2CCN(C)CC2)c1 ZINC000760462414 1072377143 /nfs/dbraw/zinc/37/71/43/1072377143.db2.gz RHDZCMYYADXDMC-UHFFFAOYSA-N 0 3 409.555 3.981 20 30 HHEDHN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCN(C2CCCC2)CC1 ZINC000555243328 1073287079 /nfs/dbraw/zinc/28/70/79/1073287079.db2.gz PTTHWEKJZZJIDA-UHFFFAOYSA-N 0 3 411.550 3.603 20 30 HHEDHN C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC000555257761 1073291559 /nfs/dbraw/zinc/29/15/59/1073291559.db2.gz WNWUWJPTXVBLFH-UHFFFAOYSA-N 0 3 411.550 3.603 20 30 HHEDHN CN(CCOCc1ccc(C#N)cc1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000588980834 1073369693 /nfs/dbraw/zinc/36/96/93/1073369693.db2.gz VAUCLESPUXOZPV-KRWDZBQOSA-N 0 3 409.313 3.753 20 30 HHEDHN C=CCN1CCC(NC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000592068453 1074686687 /nfs/dbraw/zinc/68/66/87/1074686687.db2.gz LGLAWKRZZULZGM-QHCPKHFHSA-N 0 3 405.542 3.623 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000592303785 1074720439 /nfs/dbraw/zinc/72/04/39/1074720439.db2.gz QXSJBYKJHBQUJX-UHFFFAOYSA-N 0 3 424.511 3.573 20 30 HHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000574423845 1075239090 /nfs/dbraw/zinc/23/90/90/1075239090.db2.gz VKVMAFQTXUNAOH-INIZCTEOSA-N 0 3 419.978 3.553 20 30 HHEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnc(OCC(C)C)c(Cl)c2)c1 ZINC000783348927 1075480694 /nfs/dbraw/zinc/48/06/94/1075480694.db2.gz AAEQBFOAIRTKIZ-INIZCTEOSA-N 0 3 401.850 3.740 20 30 HHEDHN C=CCOc1ccccc1CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000524265730 1013078663 /nfs/dbraw/zinc/07/86/63/1013078663.db2.gz SIOAGIFLUFUFRV-JOCHJYFZSA-N 0 3 409.530 3.896 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1Cl ZINC000303485749 971785080 /nfs/dbraw/zinc/78/50/80/971785080.db2.gz UVLFUVWFZPTLIF-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN CCCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H](CC)c1ccccc1 ZINC000303596860 971887947 /nfs/dbraw/zinc/88/79/47/971887947.db2.gz JFLBDCKHQPOPMX-JOCHJYFZSA-N 0 3 423.561 3.757 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000542308550 1013266343 /nfs/dbraw/zinc/26/63/43/1013266343.db2.gz GHSZSIHGXIWVMO-JTHBVZDNSA-N 0 3 410.493 3.591 20 30 HHEDHN C=CCOc1ccc(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000017317674 963184972 /nfs/dbraw/zinc/18/49/72/963184972.db2.gz QKASLHOZORXYKY-UHFFFAOYSA-N 0 3 400.544 3.716 20 30 HHEDHN CC(C)([C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000542519373 1013463744 /nfs/dbraw/zinc/46/37/44/1013463744.db2.gz DZYIWYQUSOXWSY-JOCHJYFZSA-N 0 3 412.484 3.980 20 30 HHEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)nc(C)n1 ZINC000049405928 964168543 /nfs/dbraw/zinc/16/85/43/964168543.db2.gz GZABICBFHHKPTE-IBGZPJMESA-N 0 3 402.454 3.512 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(C(=O)OC)c1 ZINC000052485673 964916238 /nfs/dbraw/zinc/91/62/38/964916238.db2.gz IUVRMGXXJVUAMT-UHFFFAOYSA-N 0 3 400.548 3.571 20 30 HHEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)Cc3ccc4c(c3)OCO4)sc2C1 ZINC000054427369 965513316 /nfs/dbraw/zinc/51/33/16/965513316.db2.gz JZBQFXMJANEICO-AWEZNQCLSA-N 0 3 411.527 3.934 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000058580537 965793578 /nfs/dbraw/zinc/79/35/78/965793578.db2.gz ZYYKOEUBPPZVBS-JOCHJYFZSA-N 0 3 401.510 3.663 20 30 HHEDHN C=CCOc1c(Br)cc(CN2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542691240 1013610237 /nfs/dbraw/zinc/61/02/37/1013610237.db2.gz FPUUTOFHJYQLDS-OAHLLOKOSA-N 0 3 421.339 3.829 20 30 HHEDHN COc1cc(OC)c(NC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1Cl ZINC000062375860 966652035 /nfs/dbraw/zinc/65/20/35/966652035.db2.gz URZVBILZDJIJQH-UHFFFAOYSA-N 0 3 416.909 3.825 20 30 HHEDHN COCCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(C#N)cc1 ZINC000063754469 966947602 /nfs/dbraw/zinc/94/76/02/966947602.db2.gz VCSPTJJQMIPWAO-UHFFFAOYSA-N 0 3 422.554 3.847 20 30 HHEDHN N#CC(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nnc2n1CCCCC2 ZINC000064102214 967048072 /nfs/dbraw/zinc/04/80/72/967048072.db2.gz SCBKXUUPVNXBLG-AWEZNQCLSA-N 0 3 415.284 3.987 20 30 HHEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(C2CCCC2)CC1 ZINC000045768204 967549227 /nfs/dbraw/zinc/54/92/27/967549227.db2.gz VIEOKLORPYHHBE-MRXNPFEDSA-N 0 3 400.592 3.776 20 30 HHEDHN C[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)c1ccccc1 ZINC000538203454 1013758524 /nfs/dbraw/zinc/75/85/24/1013758524.db2.gz MSBFURBBHIFWIH-PKOBYXMFSA-N 0 3 406.530 3.707 20 30 HHEDHN C[C@@H]1CCCCN1CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000047783206 968311360 /nfs/dbraw/zinc/31/13/60/968311360.db2.gz QRRFMYZLPIESNT-CQSZACIVSA-N 0 3 416.576 3.698 20 30 HHEDHN COc1ccc(Br)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065930126 968719412 /nfs/dbraw/zinc/71/94/12/968719412.db2.gz HBDPWVILTDGUBA-UHFFFAOYSA-N 0 3 416.319 3.533 20 30 HHEDHN Cc1nc(SCC(=O)N(CCN(C)C)Cc2cccc(F)c2)c(C#N)c(C)c1C ZINC000065939871 968730617 /nfs/dbraw/zinc/73/06/17/968730617.db2.gz BQVAYGOYHNLIQT-UHFFFAOYSA-N 0 3 414.550 3.700 20 30 HHEDHN N#Cc1cccc(OCCCCC(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000078876174 969020964 /nfs/dbraw/zinc/02/09/64/969020964.db2.gz VSQIDVJZZIFLDC-UHFFFAOYSA-N 0 3 401.576 3.585 20 30 HHEDHN C[C@H]1CN(CC2CCN(CC(=O)c3cn(CCC#N)c4ccccc34)CC2)C[C@H](C)O1 ZINC000110991028 969755462 /nfs/dbraw/zinc/75/54/62/969755462.db2.gz GPSAYGSZSYHBHO-PMACEKPBSA-N 0 3 422.573 3.559 20 30 HHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000113141382 969825172 /nfs/dbraw/zinc/82/51/72/969825172.db2.gz RLGRZEICUCLXAX-KRWDZBQOSA-N 0 3 422.872 3.945 20 30 HHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000140229544 970069507 /nfs/dbraw/zinc/06/95/07/970069507.db2.gz PPELELWKDBNHAM-HXUWFJFHSA-N 0 3 417.557 3.896 20 30 HHEDHN COc1ccc([C@@H](NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000218769552 970086437 /nfs/dbraw/zinc/08/64/37/970086437.db2.gz CPKMNTBCKAFZFY-QFIPXVFZSA-N 0 3 416.443 3.923 20 30 HHEDHN CCN1CCN(c2ccc(CNCc3cccc(OCCCC#N)c3)cc2F)CC1 ZINC000237007055 970206000 /nfs/dbraw/zinc/20/60/00/970206000.db2.gz WDAAYALDOLKOQF-UHFFFAOYSA-N 0 3 410.537 3.940 20 30 HHEDHN CN(C)C(=O)[C@H](Cc1ccccc1)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237026513 970209721 /nfs/dbraw/zinc/20/97/21/970209721.db2.gz NDEJLWLKTRCHLK-VWLOTQADSA-N 0 3 413.521 3.926 20 30 HHEDHN N#CCCn1cc(CNCc2ccccc2N2CCOCC2)c(-c2ccccc2)n1 ZINC000237831553 970377216 /nfs/dbraw/zinc/37/72/16/970377216.db2.gz FBBVXTNLFSWVJL-UHFFFAOYSA-N 0 3 401.514 3.590 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)N(C)C)cc1 ZINC000252002610 970552438 /nfs/dbraw/zinc/55/24/38/970552438.db2.gz NDSIAJAKQZYBNE-OAQYLSRUSA-N 0 3 410.587 3.952 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CC1 ZINC000261462036 970700498 /nfs/dbraw/zinc/70/04/98/970700498.db2.gz QHXLTGBDWZLWNN-UHFFFAOYSA-N 0 3 414.550 3.620 20 30 HHEDHN N#Cc1ccc(Br)cc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404215814 972883387 /nfs/dbraw/zinc/88/33/87/972883387.db2.gz XJBDIFWHOCQZFH-RTWAWAEBSA-N 0 3 412.331 3.800 20 30 HHEDHN C[C@H](NCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(C#N)cc1 ZINC000554844301 1014071960 /nfs/dbraw/zinc/07/19/60/1014071960.db2.gz SWASYBWJBYBWTG-JTSKRJEESA-N 0 3 410.949 3.816 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cc(Br)cs1 ZINC000409796722 973271716 /nfs/dbraw/zinc/27/17/16/973271716.db2.gz SYWRKJFPKOHPBJ-UHFFFAOYSA-N 0 3 420.376 3.905 20 30 HHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000426176452 974287007 /nfs/dbraw/zinc/28/70/07/974287007.db2.gz MWHLXKCODAOJNV-HUUCEWRRSA-N 0 3 417.575 3.737 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000426638775 974576684 /nfs/dbraw/zinc/57/66/84/974576684.db2.gz SHVCQEGRVHGGHD-HDICACEKSA-N 0 3 415.582 3.858 20 30 HHEDHN CN(CCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1)Cc1ccccc1 ZINC000427010690 974822490 /nfs/dbraw/zinc/82/24/90/974822490.db2.gz XSNRTIIEFKURGE-UHFFFAOYSA-N 0 3 415.503 3.807 20 30 HHEDHN COCCCN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C1CCN(C)CC1 ZINC000427784052 975286269 /nfs/dbraw/zinc/28/62/69/975286269.db2.gz MVMMFOFPZFDVQF-UHFFFAOYSA-N 0 3 406.530 3.875 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)c(F)cc1F ZINC000428190985 975518186 /nfs/dbraw/zinc/51/81/86/975518186.db2.gz IHBKXHNFFUMPSK-UHFFFAOYSA-N 0 3 422.273 3.803 20 30 HHEDHN N#CCCn1ncc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1-c1ccccc1 ZINC000428707859 975999771 /nfs/dbraw/zinc/99/97/71/975999771.db2.gz IKTLKSKIIPLJBF-QFIPXVFZSA-N 0 3 413.525 3.858 20 30 HHEDHN C=CCOc1cccc(NC(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000429054935 976341813 /nfs/dbraw/zinc/34/18/13/976341813.db2.gz KZWOZIMZNPABDX-OALUTQOASA-N 0 3 401.551 3.995 20 30 HHEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000429055278 976342479 /nfs/dbraw/zinc/34/24/79/976342479.db2.gz STLDZOPLRKOAKV-HDICACEKSA-N 0 3 414.550 3.700 20 30 HHEDHN Cc1cnccc1OC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000429721811 977012638 /nfs/dbraw/zinc/01/26/38/977012638.db2.gz HMOGKLSQOQTXDY-UHFFFAOYSA-N 0 3 410.543 3.684 20 30 HHEDHN C=CCN1C(=O)N(C[C@H]2CCCN2Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431265065 978150838 /nfs/dbraw/zinc/15/08/38/978150838.db2.gz GNMUHVSNUHUCBG-PKTZIBPZSA-N 0 3 403.526 3.713 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCC(F)(F)F)c1 ZINC000431792957 978516541 /nfs/dbraw/zinc/51/65/41/978516541.db2.gz AJVFFQYZSXMMDX-UHFFFAOYSA-N 0 3 405.420 3.703 20 30 HHEDHN N#CCCC[C@@H](NCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000433010757 979041224 /nfs/dbraw/zinc/04/12/24/979041224.db2.gz LPKPYVMSEFBBOB-ZNKOEICNSA-N 0 3 408.546 3.806 20 30 HHEDHN CN(CCSCC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 ZINC000433038993 979049490 /nfs/dbraw/zinc/04/94/90/979049490.db2.gz LXEFGPUURJYAGH-UHFFFAOYSA-N 0 3 405.527 3.548 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C#N)CCc3ccccc3)CC2)c1 ZINC000433229735 979163764 /nfs/dbraw/zinc/16/37/64/979163764.db2.gz ZVSLSKVFKANTFX-DEOSSOPVSA-N 0 3 418.585 3.786 20 30 HHEDHN CCNC(=O)Nc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000433746014 979541390 /nfs/dbraw/zinc/54/13/90/979541390.db2.gz XPKTVIDSAQMDKR-UHFFFAOYSA-N 0 3 422.533 3.604 20 30 HHEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)COc1ccc(C#N)cc1 ZINC000434327574 980092141 /nfs/dbraw/zinc/09/21/41/980092141.db2.gz QNYSQWCTQSBKME-OAQYLSRUSA-N 0 3 415.497 3.528 20 30 HHEDHN C[C@H]1CN(CCCCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000434778524 980394297 /nfs/dbraw/zinc/39/42/97/980394297.db2.gz VEYSYALYBRQVJO-PMACEKPBSA-N 0 3 421.541 3.756 20 30 HHEDHN Cc1cc(N2CCN(C)CC2)ccc1NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000435135741 980666412 /nfs/dbraw/zinc/66/64/12/980666412.db2.gz UOVKPDYCTFGLCP-UHFFFAOYSA-N 0 3 415.545 3.531 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCCc2cc(Cl)ccc2Br)CC1 ZINC000435173402 980698164 /nfs/dbraw/zinc/69/81/64/980698164.db2.gz LFYBSZCAIBZDFB-UHFFFAOYSA-N 0 3 414.775 3.985 20 30 HHEDHN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435370221 980819682 /nfs/dbraw/zinc/81/96/82/980819682.db2.gz HZARUFNQRAYRKG-GHTZIAJQSA-N 0 3 415.497 3.608 20 30 HHEDHN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435370223 980819725 /nfs/dbraw/zinc/81/97/25/980819725.db2.gz HZARUFNQRAYRKG-RXVVDRJESA-N 0 3 415.497 3.608 20 30 HHEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435375956 980825325 /nfs/dbraw/zinc/82/53/25/980825325.db2.gz XFAXVZHAWNYHTL-GHTZIAJQSA-N 0 3 415.497 3.608 20 30 HHEDHN N#Cc1ccc(SCC(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000435380403 980828279 /nfs/dbraw/zinc/82/82/79/980828279.db2.gz RBTZVOZTFFLGND-FQEVSTJZSA-N 0 3 417.538 3.933 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436293347 981286488 /nfs/dbraw/zinc/28/64/88/981286488.db2.gz CVYJJLNULATJRC-NYVOZVTQSA-N 0 3 403.519 3.889 20 30 HHEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000448321816 981698787 /nfs/dbraw/zinc/69/87/87/981698787.db2.gz OLKQRIBRTIQNEX-OAQYLSRUSA-N 0 3 420.513 3.526 20 30 HHEDHN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000460568043 982352506 /nfs/dbraw/zinc/35/25/06/982352506.db2.gz RPILWEKLUAASDG-JOCHJYFZSA-N 0 3 414.642 3.583 20 30 HHEDHN CC(C)C1CCC(N2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)CC1 ZINC000438549112 982888967 /nfs/dbraw/zinc/88/89/67/982888967.db2.gz YGJFYHNTIOJVRE-LYBXBRPPSA-N 0 3 400.592 3.557 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3cccc(C#N)c3)c2CCC)CC1 ZINC000439691581 983504008 /nfs/dbraw/zinc/50/40/08/983504008.db2.gz GPOHROKZOYEUFC-UHFFFAOYSA-N 0 3 406.534 3.858 20 30 HHEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C)c(C)c2ncccc12)C(C)C ZINC000441760480 984435581 /nfs/dbraw/zinc/43/55/81/984435581.db2.gz LMDKHWWYXQNNCH-OAQYLSRUSA-N 0 3 408.546 3.605 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000463017289 985973916 /nfs/dbraw/zinc/97/39/16/985973916.db2.gz ZPKDCZXSOGYJRT-NTKDMRAZSA-N 0 3 400.526 3.877 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000463017290 985973961 /nfs/dbraw/zinc/97/39/61/985973961.db2.gz ZPKDCZXSOGYJRT-YADARESESA-N 0 3 400.526 3.877 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000463017287 985974210 /nfs/dbraw/zinc/97/42/10/985974210.db2.gz ZPKDCZXSOGYJRT-CYFREDJKSA-N 0 3 400.526 3.877 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000463024040 985983093 /nfs/dbraw/zinc/98/30/93/985983093.db2.gz WCEQNFLFEWNABY-NTKDMRAZSA-N 0 3 418.541 3.632 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)C[C@@H](C)O1 ZINC000468812231 986521644 /nfs/dbraw/zinc/52/16/44/986521644.db2.gz CLRCMYWFOXINTI-QZTJIDSGSA-N 0 3 422.529 3.565 20 30 HHEDHN C=CCN1CCC(NC(=O)CCc2nc3cc(Br)ccc3s2)CC1 ZINC000463783380 986774570 /nfs/dbraw/zinc/77/45/70/986774570.db2.gz BZYJCLPGGDLNND-UHFFFAOYSA-N 0 3 408.365 3.758 20 30 HHEDHN N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000444641618 986827415 /nfs/dbraw/zinc/82/74/15/986827415.db2.gz GIVNRTZVRXBMRC-UHFFFAOYSA-N 0 3 409.559 3.621 20 30 HHEDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677696 986858768 /nfs/dbraw/zinc/85/87/68/986858768.db2.gz UOKCVIKAVGQNFQ-XZOQPEGZSA-N 0 3 406.526 3.929 20 30 HHEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469161090 986885492 /nfs/dbraw/zinc/88/54/92/986885492.db2.gz ZQDPKLADTIOSQP-NRFANRHFSA-N 0 3 415.497 3.735 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000444806737 986962127 /nfs/dbraw/zinc/96/21/27/986962127.db2.gz WZOUWWAEXWRFGO-IRXDYDNUSA-N 0 3 409.452 3.776 20 30 HHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000469437416 987123797 /nfs/dbraw/zinc/12/37/97/987123797.db2.gz YCGYCFRIHXSYEZ-DNQXCXABSA-N 0 3 420.557 3.798 20 30 HHEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000469584937 987250648 /nfs/dbraw/zinc/25/06/48/987250648.db2.gz MEVOEFXHMBBZQA-QGZVFWFLSA-N 0 3 411.525 3.811 20 30 HHEDHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)CC2)c1 ZINC000470552731 988565855 /nfs/dbraw/zinc/56/58/55/988565855.db2.gz ZQKCTEIAFVBGKL-JWQCQUIFSA-N 0 3 416.569 3.806 20 30 HHEDHN COc1cc(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)ccc1C#N ZINC000464698976 988908093 /nfs/dbraw/zinc/90/80/93/988908093.db2.gz IHLKRIURGPILAF-OAQYLSRUSA-N 0 3 417.431 3.638 20 30 HHEDHN COCCCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CCN(C)CC1 ZINC000464721840 988938029 /nfs/dbraw/zinc/93/80/29/988938029.db2.gz ZWHNWBQUVUHSOJ-UHFFFAOYSA-N 0 3 421.541 3.710 20 30 HHEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCN(C)CC23CCCCC3)c1C#N ZINC000471038080 989113006 /nfs/dbraw/zinc/11/30/06/989113006.db2.gz NZTISHKBEITKSL-UHFFFAOYSA-N 0 3 419.573 3.855 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000465201013 989545672 /nfs/dbraw/zinc/54/56/72/989545672.db2.gz SGNSYLWVFCBXIF-INIZCTEOSA-N 0 3 422.529 3.568 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465201013 989545681 /nfs/dbraw/zinc/54/56/81/989545681.db2.gz SGNSYLWVFCBXIF-INIZCTEOSA-N 0 3 422.529 3.568 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000471813767 989995629 /nfs/dbraw/zinc/99/56/29/989995629.db2.gz XTPWLBKRFRMWSP-MAUKXSAKSA-N 0 3 410.331 3.784 20 30 HHEDHN CO[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000466352224 991616470 /nfs/dbraw/zinc/61/64/70/991616470.db2.gz JTPWPFOYHBGMHM-NRFANRHFSA-N 0 3 414.937 3.673 20 30 HHEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000466380422 991665308 /nfs/dbraw/zinc/66/53/08/991665308.db2.gz AZWZXVHFHXCADN-QGZVFWFLSA-N 0 3 414.937 3.752 20 30 HHEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000466436643 991725068 /nfs/dbraw/zinc/72/50/68/991725068.db2.gz OIARFJZFYCIOEQ-INIZCTEOSA-N 0 3 400.473 3.713 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000466597871 991914451 /nfs/dbraw/zinc/91/44/51/991914451.db2.gz BMJJBNYOUATIBM-LJQANCHMSA-N 0 3 407.518 3.892 20 30 HHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000466971548 992283090 /nfs/dbraw/zinc/28/30/90/992283090.db2.gz SGXBYYWTDZTDTN-IBGZPJMESA-N 0 3 416.529 3.578 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000472703078 993625614 /nfs/dbraw/zinc/62/56/14/993625614.db2.gz ULSCWKKRFQYHAM-JOCHJYFZSA-N 0 3 406.530 3.731 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)NC[C@H](C)N2CCCC[C@@H]2C)nnc1-c1ccco1 ZINC000480787592 993655446 /nfs/dbraw/zinc/65/54/46/993655446.db2.gz DQZMLZHAWNCKJE-IRXDYDNUSA-N 0 3 417.579 3.585 20 30 HHEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000481338046 994158717 /nfs/dbraw/zinc/15/87/17/994158717.db2.gz CUABQGOALUWDOK-UHFFFAOYSA-N 0 3 412.534 3.524 20 30 HHEDHN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000473570955 994438050 /nfs/dbraw/zinc/43/80/50/994438050.db2.gz MREPPDOZOWRFAJ-HSZRJFAPSA-N 0 3 422.960 3.958 20 30 HHEDHN C=C(C)[C@H](N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000481617676 994477027 /nfs/dbraw/zinc/47/70/27/994477027.db2.gz WFMQIUDVTHNFMG-MONBJTKQSA-N 0 3 413.512 3.951 20 30 HHEDHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000473674275 994563731 /nfs/dbraw/zinc/56/37/31/994563731.db2.gz HPVJWIANSJECRJ-UHFFFAOYSA-N 0 3 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ZINC000506600557 1001468004 /nfs/dbraw/zinc/46/80/04/1001468004.db2.gz LHXJFSHVZGIUBT-UHFFFAOYSA-N 0 3 413.547 3.823 20 30 HHEDHN CCOC(=O)c1cc(C)sc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000506968837 1001735505 /nfs/dbraw/zinc/73/55/05/1001735505.db2.gz DNOXBRVXQFEVJN-UHFFFAOYSA-N 0 3 414.531 3.701 20 30 HHEDHN Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000507401724 1002050240 /nfs/dbraw/zinc/05/02/40/1002050240.db2.gz LOQDXGZJLUZAQZ-HTAPYJJXSA-N 0 3 404.514 3.677 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000507539993 1002146532 /nfs/dbraw/zinc/14/65/32/1002146532.db2.gz XJOUHXGFGXRQHS-AVRDEDQJSA-N 0 3 420.532 3.865 20 30 HHEDHN CCCN1CCN(c2ccc(NC(=O)c3ccc(CC#N)cc3)c(OCC)c2)CC1 ZINC000507601898 1002208562 /nfs/dbraw/zinc/20/85/62/1002208562.db2.gz AWAJKWUKNNBHBM-UHFFFAOYSA-N 0 3 406.530 3.936 20 30 HHEDHN N#CCCn1cc(C(=O)CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c2ccccc21 ZINC000498927024 1002324493 /nfs/dbraw/zinc/32/44/93/1002324493.db2.gz SYBZPGZZBVKNHU-KRWDZBQOSA-N 0 3 402.502 3.613 20 30 HHEDHN C/C=C/c1ccc(OC[C@H](O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000507850833 1002389427 /nfs/dbraw/zinc/38/94/27/1002389427.db2.gz YWTSKPNQYMTKDJ-YEFOHOTDSA-N 0 3 422.525 3.883 20 30 HHEDHN COc1ccc([C@H]2C[C@H](NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)C2)cc1F ZINC000508380760 1002876107 /nfs/dbraw/zinc/87/61/07/1002876107.db2.gz IOVPUBRIUFJUCE-MEMLXQNLSA-N 0 3 424.520 3.725 20 30 HHEDHN Cc1cn(-c2ccccc2Cl)nc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000499619366 1002988788 /nfs/dbraw/zinc/98/87/88/1002988788.db2.gz YKPXRUUAAZDNJW-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Cc1c(F)cccc1C#N ZINC000508542325 1003018355 /nfs/dbraw/zinc/01/83/55/1003018355.db2.gz PTQZJNROQUJXSB-UHFFFAOYSA-N 0 3 418.310 3.593 20 30 HHEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)[C@@H]2CCCC[C@@H]12 ZINC000508658533 1003100725 /nfs/dbraw/zinc/10/07/25/1003100725.db2.gz RLWJHTKWHYPNIA-ALGQRKQJSA-N 0 3 416.610 3.513 20 30 HHEDHN C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508901516 1003336147 /nfs/dbraw/zinc/33/61/47/1003336147.db2.gz UUXVSPBSUOQVPS-HXOBKFHXSA-N 0 3 424.520 3.942 20 30 HHEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000509188875 1003613919 /nfs/dbraw/zinc/61/39/19/1003613919.db2.gz VGGFMLZUBOAWIP-UHFFFAOYSA-N 0 3 424.382 3.528 20 30 HHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000500588594 1003802167 /nfs/dbraw/zinc/80/21/67/1003802167.db2.gz YGHCLKTZIAEXRB-GOSISDBHSA-N 0 3 404.436 3.858 20 30 HHEDHN C=CCc1cc(CN2CCC(C(=O)Nc3ccccc3OC)CC2)cc(OC)c1O ZINC000509581439 1003959519 /nfs/dbraw/zinc/95/95/19/1003959519.db2.gz AESZJMCIXLPFGQ-UHFFFAOYSA-N 0 3 410.514 3.989 20 30 HHEDHN N#Cc1ccc(NC(=O)CCN[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000501539024 1004500215 /nfs/dbraw/zinc/50/02/15/1004500215.db2.gz VKBUWBVAYLHRDQ-KRWDZBQOSA-N 0 3 400.276 3.763 20 30 HHEDHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC(Oc3ccc(C#N)cc3F)CC2)c1C ZINC000512812720 1004574527 /nfs/dbraw/zinc/57/45/27/1004574527.db2.gz YERVNVGRQCKCIR-FQEVSTJZSA-N 0 3 412.505 3.906 20 30 HHEDHN CCOc1ccc(C#N)cc1NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000510686214 1004798909 /nfs/dbraw/zinc/79/89/09/1004798909.db2.gz WZEPIEXWCIVACE-UHFFFAOYSA-N 0 3 421.545 3.681 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)N(C)C)cc1 ZINC000513109404 1004811409 /nfs/dbraw/zinc/81/14/09/1004811409.db2.gz YNXNJBPDBULXHN-NRFANRHFSA-N 0 3 420.492 3.870 20 30 HHEDHN C=CCOc1cccc(NC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000510731104 1004822085 /nfs/dbraw/zinc/82/20/85/1004822085.db2.gz FQZHLMUSZYZYOZ-HSZRJFAPSA-N 0 3 408.546 3.752 20 30 HHEDHN COc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)c1OC ZINC000513422413 1004958821 /nfs/dbraw/zinc/95/88/21/1004958821.db2.gz UURVTYBZWYABSJ-GOSISDBHSA-N 0 3 424.545 3.718 20 30 HHEDHN C=CCn1c(SC[C@@H](O)CN2CCc3ccccc3C2)nnc1-c1ccccc1F ZINC000513508414 1004996224 /nfs/dbraw/zinc/99/62/24/1004996224.db2.gz MITOBUJNNFXRDC-IBGZPJMESA-N 0 3 424.545 3.782 20 30 HHEDHN COc1cccc(NC(=O)COc2ccc(C(=O)C(C#N)c3nc(C)cs3)cc2)c1 ZINC000513671400 1005076356 /nfs/dbraw/zinc/07/63/56/1005076356.db2.gz IDAVXEKOGILOMR-IBGZPJMESA-N 0 3 421.478 3.968 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H]2CCCC[C@H]2OC(F)F)c1C#N ZINC000502543803 1005111332 /nfs/dbraw/zinc/11/13/32/1005111332.db2.gz DKFUSLCTMZVAAU-QZTJIDSGSA-N 0 3 420.460 3.696 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000511373315 1005144943 /nfs/dbraw/zinc/14/49/43/1005144943.db2.gz XHDMBYUAEVYKGD-ISKFKSNPSA-N 0 3 420.557 3.799 20 30 HHEDHN Cc1occc1C(=O)NC1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000514103840 1005266881 /nfs/dbraw/zinc/26/68/81/1005266881.db2.gz FOIZPHDESCCEKK-UHFFFAOYSA-N 0 3 417.513 3.760 20 30 HHEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000503276998 1005382431 /nfs/dbraw/zinc/38/24/31/1005382431.db2.gz VXEWYGIEBSOZEX-HXUWFJFHSA-N 0 3 420.513 3.670 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(N3CCc4ccccc43)CC2)c(OC)c1 ZINC000503386903 1005404908 /nfs/dbraw/zinc/40/49/08/1005404908.db2.gz UUZYXMADVDNTCR-HSZRJFAPSA-N 0 3 422.569 3.691 20 30 HHEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503477881 1005432507 /nfs/dbraw/zinc/43/25/07/1005432507.db2.gz NKXZISFGGXWGPA-UHFFFAOYSA-N 0 3 411.980 3.806 20 30 HHEDHN COc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(OC)cc1Cl ZINC000503707855 1005483944 /nfs/dbraw/zinc/48/39/44/1005483944.db2.gz DOMSHMDUUIMBAZ-UHFFFAOYSA-N 0 3 416.909 3.825 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ncc(C)c(OC)c1C ZINC000531408515 1006177647 /nfs/dbraw/zinc/17/76/47/1006177647.db2.gz QFMYAWPSAUEVIC-UHFFFAOYSA-N 0 3 401.580 3.805 20 30 HHEDHN N#Cc1ccc(C(F)(F)F)nc1NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000514884638 1006185586 /nfs/dbraw/zinc/18/55/86/1006185586.db2.gz MRJWVMQEBPAAPM-UHFFFAOYSA-N 0 3 417.479 3.982 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000514960799 1006219062 /nfs/dbraw/zinc/21/90/62/1006219062.db2.gz FOVXALMBFABWBV-XBMUEBEBSA-N 0 3 419.639 3.668 20 30 HHEDHN CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC#N ZINC000515419233 1006453291 /nfs/dbraw/zinc/45/32/91/1006453291.db2.gz XVHYATMWISGUDH-UHFFFAOYSA-N 0 3 406.379 3.771 20 30 HHEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535465549 1007528933 /nfs/dbraw/zinc/52/89/33/1007528933.db2.gz ANYBOZFCWWDYOR-IIBYNOLFSA-N 0 3 403.548 3.539 20 30 HHEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C2CCC(C)CC2)CC1 ZINC000533299237 1007616268 /nfs/dbraw/zinc/61/62/68/1007616268.db2.gz OODHNZIWDOHPCB-AQFXKWCLSA-N 0 3 400.592 3.632 20 30 HHEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000517440171 1007662168 /nfs/dbraw/zinc/66/21/68/1007662168.db2.gz KNEPSIPFXORJFF-MJXNMMHHSA-N 0 3 400.910 3.784 20 30 HHEDHN COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(F)cc1 ZINC000539380375 1007685431 /nfs/dbraw/zinc/68/54/31/1007685431.db2.gz PKARRXOZNOXOAK-GOSISDBHSA-N 0 3 401.507 3.944 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000517998992 1008094520 /nfs/dbraw/zinc/09/45/20/1008094520.db2.gz VFLOKRBVROQPAY-IBGZPJMESA-N 0 3 401.942 3.503 20 30 HHEDHN N#Cc1ccccc1COc1cccc(CN2CCC(N3CCCNC3=O)CC2)c1 ZINC000539834325 1008127657 /nfs/dbraw/zinc/12/76/57/1008127657.db2.gz SKJIKTASWLGKBT-UHFFFAOYSA-N 0 3 404.514 3.517 20 30 HHEDHN C=CCN1CCC(NC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000518531108 1008340034 /nfs/dbraw/zinc/34/00/34/1008340034.db2.gz IIFRYQVPWRJUQV-UHFFFAOYSA-N 0 3 424.511 3.619 20 30 HHEDHN C[C@@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000518703816 1008398429 /nfs/dbraw/zinc/39/84/29/1008398429.db2.gz KIEVMLWSPZVOMO-HXUWFJFHSA-N 0 3 405.546 3.521 20 30 HHEDHN Cc1ccccc1-n1nccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000540406801 1008419478 /nfs/dbraw/zinc/41/94/78/1008419478.db2.gz IWKKGSPUVOPKJI-UHFFFAOYSA-N 0 3 402.502 3.648 20 30 HHEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000540554414 1008479166 /nfs/dbraw/zinc/47/91/66/1008479166.db2.gz VWPMDCJJSYFGCG-ZCYQVOJMSA-N 0 3 420.532 3.666 20 30 HHEDHN C[C@H](N[C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)N(C)CCC#N ZINC000549116094 1008683054 /nfs/dbraw/zinc/68/30/54/1008683054.db2.gz NJHOVEMJOGMPHC-KYNGSXCRSA-N 0 3 408.949 3.743 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000519283625 1008693992 /nfs/dbraw/zinc/69/39/92/1008693992.db2.gz SWJOFCIUMVYAAT-UHFFFAOYSA-N 0 3 413.562 3.609 20 30 HHEDHN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000549301540 1008877389 /nfs/dbraw/zinc/87/73/89/1008877389.db2.gz BRVBLMUMDHCGON-JOCHJYFZSA-N 0 3 419.577 3.746 20 30 HHEDHN COc1cccc([C@H]2[C@H](NCC(=O)Nc3ccc(C#N)c(Cl)c3)CCN2C2CC2)c1 ZINC000549476302 1009072662 /nfs/dbraw/zinc/07/26/62/1009072662.db2.gz MJMRVEBLBSPECR-GGAORHGYSA-N 0 3 424.932 3.726 20 30 HHEDHN CC(=O)Nc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000520241268 1009361846 /nfs/dbraw/zinc/36/18/46/1009361846.db2.gz KKCZZYDIZGKEGH-UHFFFAOYSA-N 0 3 413.909 3.766 20 30 HHEDHN COc1ccc(CC[C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000520878825 1009933173 /nfs/dbraw/zinc/93/31/73/1009933173.db2.gz SZEMHGXVJZFYAE-IBGZPJMESA-N 0 3 408.546 3.661 20 30 HHEDHN CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N1CCCCC1 ZINC000520932049 1009986034 /nfs/dbraw/zinc/98/60/34/1009986034.db2.gz YXWVBQSWYDJQKX-UHFFFAOYSA-N 0 3 420.513 3.670 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)CC1 ZINC000547276923 1010221896 /nfs/dbraw/zinc/22/18/96/1010221896.db2.gz PNTICSNRRUJVNV-HXUWFJFHSA-N 0 3 401.942 3.503 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000551028503 1010325773 /nfs/dbraw/zinc/32/57/73/1010325773.db2.gz XSLSMBMIMCHRIF-UHFFFAOYSA-N 0 3 416.485 3.736 20 30 HHEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000521530476 1010441284 /nfs/dbraw/zinc/44/12/84/1010441284.db2.gz IERBEHGXPPXLQC-GOSISDBHSA-N 0 3 410.493 3.984 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000521585194 1010482617 /nfs/dbraw/zinc/48/26/17/1010482617.db2.gz WREJBDSDZUPATN-LJQANCHMSA-N 0 3 422.367 3.573 20 30 HHEDHN COc1ccccc1[C@H]1CCN(CC#CCN2CC[C@H](c3ccccc3OC)C2)C1 ZINC000551385202 1010552506 /nfs/dbraw/zinc/55/25/06/1010552506.db2.gz HVEAKYFUDLZNPL-VXKWHMMOSA-N 0 3 404.554 3.986 20 30 HHEDHN Cc1ccccc1[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1 ZINC000540591754 1011249001 /nfs/dbraw/zinc/24/90/01/1011249001.db2.gz YZNQLRWDYQENLL-REWPJTCUSA-N 0 3 408.571 3.506 20 30 HHEDHN Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1OCC[NH+]1CCCC1 ZINC000522902949 1011347440 /nfs/dbraw/zinc/34/74/40/1011347440.db2.gz TVUAMNUYXFKAID-UHFFFAOYSA-N 0 3 422.529 3.630 20 30 HHEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CN1Cc1ccccc1 ZINC000540979637 1011612353 /nfs/dbraw/zinc/61/23/53/1011612353.db2.gz JKDDIYJWVLIMQD-AEFFLSMTSA-N 0 3 418.476 3.668 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2C#N)N(CC)CC)cc1 ZINC000551799629 1011957252 /nfs/dbraw/zinc/95/72/52/1011957252.db2.gz PZRDAJQSVGEVNZ-JOCHJYFZSA-N 0 3 406.530 3.567 20 30 HHEDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000523622564 1012202032 /nfs/dbraw/zinc/20/20/32/1012202032.db2.gz NYUMXLQATQVDEW-HNNXBMFYSA-N 0 3 403.470 3.510 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000541616980 1012423529 /nfs/dbraw/zinc/42/35/29/1012423529.db2.gz XNRBGVQADUZRQQ-UHFFFAOYSA-N 0 3 410.331 3.696 20 30 HHEDHN C=CCC[C@H](NCC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000537157064 1012553515 /nfs/dbraw/zinc/55/35/15/1012553515.db2.gz LXNCZSPWEJTHPB-REWPJTCUSA-N 0 3 411.590 3.781 20 30 HHEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000537225610 1012655444 /nfs/dbraw/zinc/65/54/44/1012655444.db2.gz VHULBYSPIBVLLA-BONVTDFDSA-N 0 3 403.832 3.800 20 30 HHEDHN CC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000537289583 1012746600 /nfs/dbraw/zinc/74/66/00/1012746600.db2.gz IAZIPMRYDRRBEU-OALUTQOASA-N 0 3 416.978 3.851 20 30 HHEDHN Cc1nn(C)c(CNC2CCC(Oc3ccccc3C#N)CC2)c1Br ZINC000447938444 1072605701 /nfs/dbraw/zinc/60/57/01/1072605701.db2.gz ATMOMPNJJQYZCH-UHFFFAOYSA-N 0 3 403.324 3.843 20 30 HHEDHN CN(C)C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(F)cc1 ZINC000588769715 1073221070 /nfs/dbraw/zinc/22/10/70/1073221070.db2.gz LVDKQEJWUIIVOA-HXUWFJFHSA-N 0 3 407.445 3.902 20 30 HHEDHN C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000555248708 1073278833 /nfs/dbraw/zinc/27/88/33/1073278833.db2.gz UNEBZWNNTOEOSI-HXUWFJFHSA-N 0 3 417.557 3.833 20 30 HHEDHN N#Cc1ccc(CN2CCCN(c3ccnc(Cc4ccc(F)cc4)n3)CC2)cc1 ZINC000590572991 1073922681 /nfs/dbraw/zinc/92/26/81/1073922681.db2.gz UKWAJSWITXTSSO-UHFFFAOYSA-N 0 3 401.489 3.790 20 30 HHEDHN C=CCN(CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1)Cc1ccc(OC)cc1 ZINC000555876392 1073923592 /nfs/dbraw/zinc/92/35/92/1073923592.db2.gz JBCSSKKNUNYTSK-UHFFFAOYSA-N 0 3 421.585 3.726 20 30 HHEDHN C=CCN1CCC(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000592069157 1074687245 /nfs/dbraw/zinc/68/72/45/1074687245.db2.gz MGJLGUZXZNQQTI-UHFFFAOYSA-N 0 3 412.917 3.716 20 30 HHEDHN N#C[C@H](c1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nn1)c1ccccc1F ZINC001164723968 720404635 /nfs/dbraw/zinc/40/46/35/720404635.db2.gz IIPODJCCRVCVJE-VJBMBRPKSA-N 0 3 414.488 3.519 20 30 HHEDHN N#Cc1ccc2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2c1 ZINC001164964833 722054777 /nfs/dbraw/zinc/05/47/77/722054777.db2.gz YFGVKUDTMGCUDZ-UHFFFAOYSA-N 0 3 413.525 3.620 20 30 HHEDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000303287279 971600580 /nfs/dbraw/zinc/60/05/80/971600580.db2.gz KAQYSTNTOKSPJC-QHCPKHFHSA-N 0 3 420.557 3.947 20 30 HHEDHN C=CCN(Cc1c[nH]nc1-c1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629208 1013181308 /nfs/dbraw/zinc/18/13/08/1013181308.db2.gz ZULRRWSECHHIHX-MRXNPFEDSA-N 0 3 403.465 3.941 20 30 HHEDHN C=CCN(Cc1c[nH]nc1-c1ccccc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630335 1013184403 /nfs/dbraw/zinc/18/44/03/1013184403.db2.gz QAHRYNXSVLEDPQ-MRXNPFEDSA-N 0 3 403.465 3.941 20 30 HHEDHN CN(C)C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553219467 1013186393 /nfs/dbraw/zinc/18/63/93/1013186393.db2.gz YZVNPOPLPYAHNY-PXNSSMCTSA-N 0 3 414.912 3.596 20 30 HHEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1COc2ccccc2O1 ZINC000011225193 962035825 /nfs/dbraw/zinc/03/58/25/962035825.db2.gz OFICHEISRYWQHL-OAHLLOKOSA-N 0 3 411.527 3.599 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)Nc2cc(C#N)ccc2OCCOC)N(C)C)cc1 ZINC000542422781 1013375296 /nfs/dbraw/zinc/37/52/96/1013375296.db2.gz SXEJDYAZEAHBKN-NRFANRHFSA-N 0 3 410.518 3.570 20 30 HHEDHN CC1CC(C#N)(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)C1 ZINC000537828204 1013391299 /nfs/dbraw/zinc/39/12/99/1013391299.db2.gz VFVMUDCPBOKBAG-UHFFFAOYSA-N 0 3 402.542 3.930 20 30 HHEDHN N#Cc1ccc(NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000029172885 965295581 /nfs/dbraw/zinc/29/55/81/965295581.db2.gz FIWGQENXBSRVKH-UHFFFAOYSA-N 0 3 403.452 3.986 20 30 HHEDHN CN(C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000058560445 965784256 /nfs/dbraw/zinc/78/42/56/965784256.db2.gz FIDYCBHLYRVGEG-KRWDZBQOSA-N 0 3 406.408 3.924 20 30 HHEDHN C=CCc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc(OC)c1OC ZINC000060575935 966212339 /nfs/dbraw/zinc/21/23/39/966212339.db2.gz DNZSTDMKNDBHSP-UHFFFAOYSA-N 0 3 407.514 3.508 20 30 HHEDHN C=CCc1ccc(OCC(=O)NC[C@H](CC)N2CCc3ccccc3C2)c(OC)c1 ZINC000032446389 966257107 /nfs/dbraw/zinc/25/71/07/966257107.db2.gz GPVKQCJOWKVSLL-QFIPXVFZSA-N 0 3 408.542 3.756 20 30 HHEDHN C=CCc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCC2)c(OC)c1 ZINC000032761510 966324353 /nfs/dbraw/zinc/32/43/53/966324353.db2.gz YXIQQNXHYFDTLR-SFHVURJKSA-N 0 3 400.544 3.817 20 30 HHEDHN COCCN(CCC(=O)Nc1cc(Cl)ccc1OC)Cc1ccc(C#N)cc1 ZINC000063753968 966947695 /nfs/dbraw/zinc/94/76/95/966947695.db2.gz HDPUSQCKINSBQH-UHFFFAOYSA-N 0 3 401.894 3.697 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)N(C)C)cc1 ZINC000542839133 1013701032 /nfs/dbraw/zinc/70/10/32/1013701032.db2.gz UFCFZLRVGOQSHV-FQEVSTJZSA-N 0 3 406.465 3.616 20 30 HHEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1noc(Cc2ccccc2)n1 ZINC000542841925 1013702777 /nfs/dbraw/zinc/70/27/77/1013702777.db2.gz GIUQRFCGWNGDML-GOSISDBHSA-N 0 3 401.514 3.847 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000044566514 967241243 /nfs/dbraw/zinc/24/12/43/967241243.db2.gz QAMVBAKUEIKXFH-UHFFFAOYSA-N 0 3 417.513 3.521 20 30 HHEDHN C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538159166 1013721250 /nfs/dbraw/zinc/72/12/50/1013721250.db2.gz MJSMMGWGAQEMDD-GJZGRUSLSA-N 0 3 405.527 3.972 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1cccc(C)c1 ZINC000047010217 968030474 /nfs/dbraw/zinc/03/04/74/968030474.db2.gz BDGLFFGIHDCODW-UHFFFAOYSA-N 0 3 401.514 3.565 20 30 HHEDHN C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000542937637 1013771326 /nfs/dbraw/zinc/77/13/26/1013771326.db2.gz YMNPREWLHUDBJT-KBPBESRZSA-N 0 3 418.419 3.652 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000538237047 1013785284 /nfs/dbraw/zinc/78/52/84/1013785284.db2.gz HILBSOQOYRFOOV-RBUKOAKNSA-N 0 3 417.513 3.867 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000065930857 968721647 /nfs/dbraw/zinc/72/16/47/968721647.db2.gz XUPRSFWXTLSODZ-UHFFFAOYSA-N 0 3 421.932 3.660 20 30 HHEDHN C=C(C)CN(CC)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000096953973 969062174 /nfs/dbraw/zinc/06/21/74/969062174.db2.gz NUKJNMWGXQAYCP-UHFFFAOYSA-N 0 3 406.574 3.845 20 30 HHEDHN COc1cccc(CN2CCC(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CC2)c1 ZINC000108538002 969391025 /nfs/dbraw/zinc/39/10/25/969391025.db2.gz ACECJSBLSNJTIQ-DEOSSOPVSA-N 0 3 421.541 3.751 20 30 HHEDHN CCOc1cc2c(cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)O[C@H](C)C2 ZINC000195713679 969975519 /nfs/dbraw/zinc/97/55/19/969975519.db2.gz MAPIGRHDHQBHHB-QGZVFWFLSA-N 0 3 422.529 3.876 20 30 HHEDHN CC(=O)NCc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000195720730 969980825 /nfs/dbraw/zinc/98/08/25/969980825.db2.gz BWHPNXQYWHMEJV-LBPRGKRZSA-N 0 3 410.282 3.652 20 30 HHEDHN Cc1noc2nc(C(C)C)cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c12 ZINC000195724627 969983760 /nfs/dbraw/zinc/98/37/60/969983760.db2.gz WCKQRXIEUWXRQN-UHFFFAOYSA-N 0 3 405.502 3.730 20 30 HHEDHN N#Cc1ccc(CN2CCCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)cc1 ZINC000139252976 970026566 /nfs/dbraw/zinc/02/65/66/970026566.db2.gz JEIYVVLHHMLDNG-UHFFFAOYSA-N 0 3 402.542 3.502 20 30 HHEDHN CC(C)[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)N1CCc2ccccc2C1 ZINC000409579493 973028221 /nfs/dbraw/zinc/02/82/21/973028221.db2.gz GHTTWNSSZUNQCJ-DEOSSOPVSA-N 0 3 413.525 3.557 20 30 HHEDHN CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCCCC1 ZINC000425966399 974070238 /nfs/dbraw/zinc/07/02/38/974070238.db2.gz KVEYBKQAJQFWHL-UHFFFAOYSA-N 0 3 420.513 3.670 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000426719101 974614254 /nfs/dbraw/zinc/61/42/54/974614254.db2.gz ZUWJFRLOKGIXJS-UHFFFAOYSA-N 0 3 418.706 3.715 20 30 HHEDHN N#CCC[C@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000428963125 976251292 /nfs/dbraw/zinc/25/12/92/976251292.db2.gz CBYNAJORJONLNJ-GOTSBHOMSA-N 0 3 406.530 3.622 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429084975 976370741 /nfs/dbraw/zinc/37/07/41/976370741.db2.gz PHUBYMPQFFJAAT-AUSIDOKSSA-N 0 3 413.525 3.714 20 30 HHEDHN CC(C)N1CC[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429792827 977071372 /nfs/dbraw/zinc/07/13/72/977071372.db2.gz VCMYMJNLNJLTQY-FPOVZHCZSA-N 0 3 420.960 3.935 20 30 HHEDHN C=CCn1c(=O)c2ccccc2nc1SC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000430118132 977327618 /nfs/dbraw/zinc/32/76/18/977327618.db2.gz GDHPDUDMSQINGU-HXUWFJFHSA-N 0 3 421.566 3.966 20 30 HHEDHN C[C@H]1CN(CCC2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C[C@H](C)O1 ZINC000430693127 977698813 /nfs/dbraw/zinc/69/88/13/977698813.db2.gz ZMSBGRSHOXFJFS-ROUUACIJSA-N 0 3 401.576 3.654 20 30 HHEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ncc(C#N)cc1Cl ZINC000432532461 978868562 /nfs/dbraw/zinc/86/85/62/978868562.db2.gz WRXIDUJMHUUYCU-UHFFFAOYSA-N 0 3 410.827 3.829 20 30 HHEDHN CC(C)NC(=O)Nc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433323727 979237039 /nfs/dbraw/zinc/23/70/39/979237039.db2.gz YJYGGERURAJADL-UHFFFAOYSA-N 0 3 417.517 3.678 20 30 HHEDHN CCOC(=O)c1c(NC(=O)c2cc(C#N)cn2C)sc2c1CC(C)(C)NC2(C)C ZINC000433514115 979350014 /nfs/dbraw/zinc/35/00/14/979350014.db2.gz YNEVOOMCVHIFBD-UHFFFAOYSA-N 0 3 414.531 3.547 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000433652730 979454356 /nfs/dbraw/zinc/45/43/56/979454356.db2.gz ZCTGLXMSCJEGFG-LJQANCHMSA-N 0 3 422.426 3.916 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCC(Nc3cccc(Br)c3)CC2)CC1 ZINC000434174890 979938418 /nfs/dbraw/zinc/93/84/18/979938418.db2.gz SAWZBJQVIGAYNC-UHFFFAOYSA-N 0 3 421.383 3.685 20 30 HHEDHN COC(=O)[C@@H](NCC1CCN(Cc2ccccc2Cl)CC1)c1cccc(C#N)c1 ZINC000434881078 980465572 /nfs/dbraw/zinc/46/55/72/980465572.db2.gz SESLYUBAKJOWDF-QFIPXVFZSA-N 0 3 411.933 3.928 20 30 HHEDHN CC[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)CCN1Cc1ccccc1 ZINC000434985524 980550152 /nfs/dbraw/zinc/55/01/52/980550152.db2.gz BDLFIZGWVAGZDH-DEOSSOPVSA-N 0 3 414.557 3.955 20 30 HHEDHN N#CCCn1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000435131718 980662207 /nfs/dbraw/zinc/66/22/07/980662207.db2.gz FERXOQIQECKDFN-UHFFFAOYSA-N 0 3 418.520 3.706 20 30 HHEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000436269554 981278411 /nfs/dbraw/zinc/27/84/11/981278411.db2.gz KHSLAUNXRSZPRA-NHCUHLMSSA-N 0 3 409.534 3.646 20 30 HHEDHN Cc1c([C@H](C)NC2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccccc1 ZINC000437099742 981761178 /nfs/dbraw/zinc/76/11/78/981761178.db2.gz RAEVQQIHQQBWMQ-YQHFOJDRSA-N 0 3 402.502 3.883 20 30 HHEDHN CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000460211568 981986469 /nfs/dbraw/zinc/98/64/69/981986469.db2.gz NKULBVDTHCYPSH-RTBURBONSA-N 0 3 400.530 3.936 20 30 HHEDHN N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](N4CC=CC4)C3)cc2F)c1 ZINC000437945561 982478110 /nfs/dbraw/zinc/47/81/10/982478110.db2.gz FNXKGVCMHXLZFR-FQEVSTJZSA-N 0 3 406.461 3.754 20 30 HHEDHN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460796218 982549195 /nfs/dbraw/zinc/54/91/95/982549195.db2.gz QWMIUUCGDYWQTI-UHFFFAOYSA-N 0 3 402.502 3.698 20 30 HHEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000460886035 982624346 /nfs/dbraw/zinc/62/43/46/982624346.db2.gz UPHAJBIATKZDJS-BEFAXECRSA-N 0 3 419.367 3.747 20 30 HHEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000438184922 982639204 /nfs/dbraw/zinc/63/92/04/982639204.db2.gz YKJLKEFJVIDEDG-LJQANCHMSA-N 0 3 404.470 3.837 20 30 HHEDHN C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000460950117 982684587 /nfs/dbraw/zinc/68/45/87/982684587.db2.gz DRPVCSKNERATBN-SFTDATJTSA-N 0 3 416.573 3.939 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000438445590 982797376 /nfs/dbraw/zinc/79/73/76/982797376.db2.gz QFYBQSOBFAIFMT-HKUYNNGSSA-N 0 3 413.484 3.760 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000438691376 983004990 /nfs/dbraw/zinc/00/49/90/983004990.db2.gz IFQFKJPRKIYKIL-UHFFFAOYSA-N 0 3 406.408 3.894 20 30 HHEDHN N#Cc1cccc(NC(=O)CCN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 ZINC000438693430 983006286 /nfs/dbraw/zinc/00/62/86/983006286.db2.gz FRZQQKYZMZXOCH-OAQYLSRUSA-N 0 3 405.502 3.563 20 30 HHEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H]1C ZINC000461497567 983148955 /nfs/dbraw/zinc/14/89/55/983148955.db2.gz PYWADARHGYRGHS-SJORKVTESA-N 0 3 406.559 3.845 20 30 HHEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@H]1C ZINC000461509551 983157396 /nfs/dbraw/zinc/15/73/96/983157396.db2.gz RRURLEAOJDPTAG-SJORKVTESA-N 0 3 406.559 3.845 20 30 HHEDHN C[C@@H]1C[C@@H](c2ccccc2)CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000439328162 983367458 /nfs/dbraw/zinc/36/74/58/983367458.db2.gz WXRWTRWXZKMQJA-BAGYTPMASA-N 0 3 422.598 3.725 20 30 HHEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 ZINC000439979410 983603633 /nfs/dbraw/zinc/60/36/33/983603633.db2.gz LZFHULSAAXIMTH-ZBWQPJPKSA-N 0 3 410.562 3.681 20 30 HHEDHN CC(C)OC(=O)c1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000441261033 984144995 /nfs/dbraw/zinc/14/49/95/984144995.db2.gz ORGOFCIKCRAHKZ-UHFFFAOYSA-N 0 3 405.498 3.974 20 30 HHEDHN Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1C#N ZINC000441981266 984578442 /nfs/dbraw/zinc/57/84/42/984578442.db2.gz AJFLVIPRPYNLRQ-IRLDBZIGSA-N 0 3 409.555 3.542 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)CC1 ZINC000442273467 984784635 /nfs/dbraw/zinc/78/46/35/984784635.db2.gz PPYKFUGNGHXWPA-UHFFFAOYSA-N 0 3 407.514 3.801 20 30 HHEDHN COc1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc(NC(C)=O)c1OC ZINC000442863585 985250695 /nfs/dbraw/zinc/25/06/95/985250695.db2.gz CYWDZKCWZOMONT-HNNXBMFYSA-N 0 3 422.466 3.671 20 30 HHEDHN N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000443096074 985373030 /nfs/dbraw/zinc/37/30/30/985373030.db2.gz SSTWZTBSRIEIHQ-UHFFFAOYSA-N 0 3 403.935 3.676 20 30 HHEDHN C[C@H]1CN(CCCCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000443679052 985889874 /nfs/dbraw/zinc/88/98/74/985889874.db2.gz YRABCEILWWFYIG-PMACEKPBSA-N 0 3 421.541 3.756 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)CC1 ZINC000468314703 986010773 /nfs/dbraw/zinc/01/07/73/986010773.db2.gz FFMSUOJJCMANQQ-UHFFFAOYSA-N 0 3 411.502 3.554 20 30 HHEDHN COc1ccccc1-c1noc([C@@H](C)NC2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000463208003 986179375 /nfs/dbraw/zinc/17/93/75/986179375.db2.gz VHIWYIBNDVFFEC-QGZVFWFLSA-N 0 3 417.513 3.932 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000468710593 986425535 /nfs/dbraw/zinc/42/55/35/986425535.db2.gz HLMSRJSEOLODRD-UHFFFAOYSA-N 0 3 422.529 3.630 20 30 HHEDHN C[C@H]1CN(CCC2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)C[C@H](C)O1 ZINC000468814029 986523146 /nfs/dbraw/zinc/52/31/46/986523146.db2.gz CLRCMYWFOXINTI-ROUUACIJSA-N 0 3 422.529 3.565 20 30 HHEDHN N#Cc1cccc(-c2cc(C(=O)N3CCCN(CCCc4ccccc4)CC3)on2)c1 ZINC000468892061 986598020 /nfs/dbraw/zinc/59/80/20/986598020.db2.gz GKJUIUBQVVTKTA-UHFFFAOYSA-N 0 3 414.509 3.994 20 30 HHEDHN CCOC(=O)[C@@](C)(CN[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000468923654 986629949 /nfs/dbraw/zinc/62/99/49/986629949.db2.gz JHSCAIVTYDRAIB-NYHFZMIOSA-N 0 3 413.905 3.649 20 30 HHEDHN C[C@@H](N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)NC1(C#N)CCC1 ZINC000468953241 986657126 /nfs/dbraw/zinc/65/71/26/986657126.db2.gz KZVMTPDAIBPYKO-JKSUJKDBSA-N 0 3 408.477 3.680 20 30 HHEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000464108244 988229096 /nfs/dbraw/zinc/22/90/96/988229096.db2.gz CEBQWNZMRNLDBW-OAQYLSRUSA-N 0 3 421.541 3.682 20 30 HHEDHN C=CCn1c(SCCCN2CCN(C(C)C)CC2)nnc1-c1ccccc1OC ZINC000470443966 988419070 /nfs/dbraw/zinc/41/90/70/988419070.db2.gz MBMFNAQFHFRIQK-UHFFFAOYSA-N 0 3 415.607 3.648 20 30 HHEDHN CN(CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)Cc1ccccc1 ZINC000470537831 988542825 /nfs/dbraw/zinc/54/28/25/988542825.db2.gz MTBCOWNAZGRCGM-UHFFFAOYSA-N 0 3 419.529 3.523 20 30 HHEDHN CN1CC[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H]1c1ccccc1 ZINC000471956796 990121291 /nfs/dbraw/zinc/12/12/91/990121291.db2.gz GDULFOCPFIJWEI-RXVVDRJESA-N 0 3 420.904 3.964 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000467046127 992355079 /nfs/dbraw/zinc/35/50/79/992355079.db2.gz MVWUXWCOEMZBKZ-NQIIRXRSSA-N 0 3 407.514 3.505 20 30 HHEDHN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000473570958 994438125 /nfs/dbraw/zinc/43/81/25/994438125.db2.gz MREPPDOZOWRFAJ-QHCPKHFHSA-N 0 3 422.960 3.958 20 30 HHEDHN Cc1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000481668977 994529796 /nfs/dbraw/zinc/52/97/96/994529796.db2.gz JOIADPZCXCUGLQ-IBGZPJMESA-N 0 3 406.530 3.803 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H]2CCCO[C@@H]2CC(C)C)c1C#N ZINC000481759334 994612099 /nfs/dbraw/zinc/61/20/99/994612099.db2.gz GFBQXSJYCYPMPE-NHCUHLMSSA-N 0 3 412.534 3.740 20 30 HHEDHN CCN1CCN(c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c2)CC1 ZINC000473819395 994746667 /nfs/dbraw/zinc/74/66/67/994746667.db2.gz NMXRQUOZSAXVTB-UHFFFAOYSA-N 0 3 403.530 3.897 20 30 HHEDHN CCCN(CCN(C)C)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000482082368 995020818 /nfs/dbraw/zinc/02/08/18/995020818.db2.gz OXWXMWGWGNMKBY-UHFFFAOYSA-N 0 3 424.570 3.703 20 30 HHEDHN C=C(C)COc1cc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)ccc1OC ZINC000482736696 995715593 /nfs/dbraw/zinc/71/55/93/995715593.db2.gz XLZDXJWVZQAFDQ-CVDCTZTESA-N 0 3 416.468 3.990 20 30 HHEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000474815306 995722442 /nfs/dbraw/zinc/72/24/42/995722442.db2.gz FDCVAPSSZOILJN-UHFFFAOYSA-N 0 3 420.557 3.805 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000475131739 995942919 /nfs/dbraw/zinc/94/29/19/995942919.db2.gz VTLISPIOIXAJLM-LJQANCHMSA-N 0 3 411.468 3.829 20 30 HHEDHN CN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475140642 995949059 /nfs/dbraw/zinc/94/90/59/995949059.db2.gz SXXNCFQSEHBJMH-NRFANRHFSA-N 0 3 415.459 3.973 20 30 HHEDHN N#CC(C(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1cnc2ccccc2n1 ZINC000483242013 996056082 /nfs/dbraw/zinc/05/60/82/996056082.db2.gz WWKXIXPSQFQQAT-GFCCVEGCSA-N 0 3 411.343 3.737 20 30 HHEDHN Cc1c(Br)scc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000475389685 996108081 /nfs/dbraw/zinc/10/80/81/996108081.db2.gz PTEUBKTYHJLROT-UHFFFAOYSA-N 0 3 406.349 3.895 20 30 HHEDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000483736273 996357833 /nfs/dbraw/zinc/35/78/33/996357833.db2.gz XYLZOOCTECPZCZ-RBBKRZOGSA-N 0 3 406.530 3.713 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1)[C@@H]1CCCN(C)C1 ZINC000476136282 996625772 /nfs/dbraw/zinc/62/57/72/996625772.db2.gz FMYGQUICJJPTJR-JTHBVZDNSA-N 0 3 418.541 3.879 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000476432280 996902442 /nfs/dbraw/zinc/90/24/42/996902442.db2.gz RZVHMSGLIUMCRI-OALUTQOASA-N 0 3 403.592 3.536 20 30 HHEDHN N#Cc1ccsc1NC(=O)CN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484590635 996923383 /nfs/dbraw/zinc/92/33/83/996923383.db2.gz LJCMEMDPJPSCKA-UHFFFAOYSA-N 0 3 412.603 3.782 20 30 HHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484669079 997008532 /nfs/dbraw/zinc/00/85/32/997008532.db2.gz JRBVVQZYMNPNFE-WSQLUGGSSA-N 0 3 414.638 3.653 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000477047924 997685307 /nfs/dbraw/zinc/68/53/07/997685307.db2.gz JLMSXGWVVOWHCH-SFHVURJKSA-N 0 3 410.331 3.989 20 30 HHEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000485293623 997696294 /nfs/dbraw/zinc/69/62/94/997696294.db2.gz XSFKILGIFAHJNY-ZHRRBRCNSA-N 0 3 402.498 3.753 20 30 HHEDHN COc1cnccc1N1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000478468947 998976717 /nfs/dbraw/zinc/97/67/17/998976717.db2.gz PYPUZCBOFXNHHM-UHFFFAOYSA-N 0 3 413.481 3.668 20 30 HHEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccco1 ZINC000480272074 999760746 /nfs/dbraw/zinc/76/07/46/999760746.db2.gz VYSLOJODXXCTCA-PBHICJAKSA-N 0 3 410.453 3.727 20 30 HHEDHN COCCN(Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)[C@@H]1CCO[C@@H]1C ZINC000489409402 999760848 /nfs/dbraw/zinc/76/08/48/999760848.db2.gz GLPAABLSDZLSTN-XMSQKQJNSA-N 0 3 410.514 3.772 20 30 HHEDHN C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H](c1ccccc1)N(C)C ZINC000480297320 999765383 /nfs/dbraw/zinc/76/53/83/999765383.db2.gz UGMXUKBMWHFYSI-YCRPNKLZSA-N 0 3 406.465 3.696 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)N(CC)C(C)C)c2)CC1 ZINC000490475969 999963496 /nfs/dbraw/zinc/96/34/96/999963496.db2.gz HGFDMDXNPWHTQS-UHFFFAOYSA-N 0 3 406.958 3.982 20 30 HHEDHN COc1cc2c(cc1OC)CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000491116502 1000047380 /nfs/dbraw/zinc/04/73/80/1000047380.db2.gz UZBLXZAIJZVPLJ-UHFFFAOYSA-N 0 3 402.498 3.577 20 30 HHEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000492211013 1000115613 /nfs/dbraw/zinc/11/56/13/1000115613.db2.gz PJAAANQHHIUKLU-XLIONFOSSA-N 0 3 406.486 3.917 20 30 HHEDHN C=CCNC(=O)c1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000492937508 1000150402 /nfs/dbraw/zinc/15/04/02/1000150402.db2.gz SOPGWUXVNKCUKT-UHFFFAOYSA-N 0 3 418.463 3.729 20 30 HHEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@H](c3ccc4c(c3)OCCO4)C3CC3)C2=O)cc1 ZINC000492971408 1000151739 /nfs/dbraw/zinc/15/17/39/1000151739.db2.gz FTHDFKYFINPCNC-NFBKMPQASA-N 0 3 403.482 3.566 20 30 HHEDHN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000494616690 1000575812 /nfs/dbraw/zinc/57/58/12/1000575812.db2.gz UKDNIEJPCMIBEK-UHFFFAOYSA-N 0 3 406.530 3.837 20 30 HHEDHN CCN1CCN(Cc2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)CC1 ZINC000505512945 1000851218 /nfs/dbraw/zinc/85/12/18/1000851218.db2.gz LQZJZSAFXAYFDZ-UHFFFAOYSA-N 0 3 408.521 3.751 20 30 HHEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC000495344963 1000976359 /nfs/dbraw/zinc/97/63/59/1000976359.db2.gz HBIFJJQFVIEGTD-SFHVURJKSA-N 0 3 418.419 3.548 20 30 HHEDHN COc1cc(NC(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1 ZINC000505770652 1001014988 /nfs/dbraw/zinc/01/49/88/1001014988.db2.gz HOYDKIFEEZUFQI-SFHVURJKSA-N 0 3 404.451 3.945 20 30 HHEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000496273637 1001151471 /nfs/dbraw/zinc/15/14/71/1001151471.db2.gz UEVZMFARPDMMPO-QFIPXVFZSA-N 0 3 408.571 3.700 20 30 HHEDHN CCN1CCN(c2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c(C)c2)CC1 ZINC000506039885 1001183212 /nfs/dbraw/zinc/18/32/12/1001183212.db2.gz DXCBVAFJVYUKKX-UHFFFAOYSA-N 0 3 406.505 3.818 20 30 HHEDHN C[C@@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507419633 1002061490 /nfs/dbraw/zinc/06/14/90/1002061490.db2.gz GGUCAZFAPGRKBT-YWZLYKJASA-N 0 3 410.905 3.714 20 30 HHEDHN Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000507425805 1002065471 /nfs/dbraw/zinc/06/54/71/1002065471.db2.gz WLGPFXYMRGYLTI-AVRDEDQJSA-N 0 3 404.514 3.677 20 30 HHEDHN CCc1ccccc1NC(=O)C[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507426642 1002066534 /nfs/dbraw/zinc/06/65/34/1002066534.db2.gz HMXRADZRLBDFHX-VGSWGCGISA-N 0 3 404.514 3.623 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1-c1ccc(F)cc1F ZINC000507569498 1002173601 /nfs/dbraw/zinc/17/36/01/1002173601.db2.gz SNAHRVANUCBUHL-UHFFFAOYSA-N 0 3 423.467 3.535 20 30 HHEDHN C=CCn1c(-c2cccc3cccnc32)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC000508478306 1002963119 /nfs/dbraw/zinc/96/31/19/1002963119.db2.gz QJSDHVSLOXXPAV-FQEVSTJZSA-N 0 3 420.561 3.616 20 30 HHEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)[C@@H]2CCCC[C@H]12 ZINC000508658536 1003100619 /nfs/dbraw/zinc/10/06/19/1003100619.db2.gz RLWJHTKWHYPNIA-WRTQPQOASA-N 0 3 416.610 3.513 20 30 HHEDHN C=CCn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000508681588 1003120222 /nfs/dbraw/zinc/12/02/22/1003120222.db2.gz QVIDKMCMBGUGAH-RBBKRZOGSA-N 0 3 419.577 3.774 20 30 HHEDHN C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000508856035 1003276117 /nfs/dbraw/zinc/27/61/17/1003276117.db2.gz JNWUOHSPSJNKEG-MWXLCCTBSA-N 0 3 419.614 3.525 20 30 HHEDHN CCN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000499998215 1003315361 /nfs/dbraw/zinc/31/53/61/1003315361.db2.gz GXDMTNZQMOTGIL-UZLBHIALSA-N 0 3 424.932 3.834 20 30 HHEDHN C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[C@H](c1ccccc1)N(C)C ZINC000508901520 1003336233 /nfs/dbraw/zinc/33/62/33/1003336233.db2.gz UUXVSPBSUOQVPS-UZUQRXQVSA-N 0 3 424.520 3.942 20 30 HHEDHN C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000508959682 1003420505 /nfs/dbraw/zinc/42/05/05/1003420505.db2.gz GWLKXOXOOYCCMI-LJQANCHMSA-N 0 3 409.578 3.587 20 30 HHEDHN C=CCn1c(CC(C)(C)C)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508994776 1003466345 /nfs/dbraw/zinc/46/63/45/1003466345.db2.gz JGESOVNHKFXIRK-OALUTQOASA-N 0 3 403.615 3.768 20 30 HHEDHN N#Cc1ccc(OC2CCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC2)cc1 ZINC000509348371 1003720806 /nfs/dbraw/zinc/72/08/06/1003720806.db2.gz OELNENVROIQZPG-XMMPIXPASA-N 0 3 418.541 3.948 20 30 HHEDHN C[C@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000500897294 1004036242 /nfs/dbraw/zinc/03/62/42/1004036242.db2.gz XECQZWYPRRAKNW-GPJISDRXSA-N 0 3 421.545 3.634 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000512142962 1004054109 /nfs/dbraw/zinc/05/41/09/1004054109.db2.gz OYXJQGFEGAZCLT-QGZVFWFLSA-N 0 3 421.451 3.873 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(Br)s1 ZINC000510082648 1004311263 /nfs/dbraw/zinc/31/12/63/1004311263.db2.gz FWQNHWKCOLARBG-UHFFFAOYSA-N 0 3 406.349 3.515 20 30 HHEDHN N#Cc1ccc(NC(=O)CCN[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000501539026 1004500667 /nfs/dbraw/zinc/50/06/67/1004500667.db2.gz VKBUWBVAYLHRDQ-QGZVFWFLSA-N 0 3 400.276 3.763 20 30 HHEDHN C=CCOc1ccc(CNCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 ZINC000513120403 1004817523 /nfs/dbraw/zinc/81/75/23/1004817523.db2.gz NJDPHFNDOKMLDJ-IBGZPJMESA-N 0 3 414.571 3.962 20 30 HHEDHN CC(C)N(CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)N1CCCCCC1 ZINC000513236800 1004875235 /nfs/dbraw/zinc/87/52/35/1004875235.db2.gz OWQTUPMVZUZQKC-UHFFFAOYSA-N 0 3 416.591 3.550 20 30 HHEDHN CN(C(=O)CNC(C)(C)COc1ccc(C(F)(F)F)cn1)C1(C#N)CCCCC1 ZINC000502218583 1004963590 /nfs/dbraw/zinc/96/35/90/1004963590.db2.gz WFTHJJWOQJJXGP-UHFFFAOYSA-N 0 3 412.456 3.532 20 30 HHEDHN COCCCNC(=O)C1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000511123497 1005031060 /nfs/dbraw/zinc/03/10/60/1005031060.db2.gz JCLPVMGPSUTMQR-UHFFFAOYSA-N 0 3 421.541 3.502 20 30 HHEDHN CN1CCN(CCCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 ZINC000502405590 1005061023 /nfs/dbraw/zinc/06/10/23/1005061023.db2.gz JSQBZLWSJFEAGC-QHCPKHFHSA-N 0 3 419.573 3.988 20 30 HHEDHN CSCC[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1nnc2ccccn21 ZINC000514097040 1005264107 /nfs/dbraw/zinc/26/41/07/1005264107.db2.gz ZOCARFQSKBOSRO-FQEVSTJZSA-N 0 3 406.559 3.654 20 30 HHEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000503491065 1005435604 /nfs/dbraw/zinc/43/56/04/1005435604.db2.gz FWSFRUXQFVJGFT-OAQYLSRUSA-N 0 3 408.502 3.924 20 30 HHEDHN N#C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000531114866 1006001866 /nfs/dbraw/zinc/00/18/66/1006001866.db2.gz BMTHXQJMPLRGBK-MJGOQNOKSA-N 0 3 418.419 3.573 20 30 HHEDHN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC[C@H](c2ccccc2)N(C)C)n1 ZINC000514846752 1006169866 /nfs/dbraw/zinc/16/98/66/1006169866.db2.gz LZYGTIIYVJQLLW-QGZVFWFLSA-N 0 3 422.476 3.792 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)OC)c1ccccc1F ZINC000531408137 1006177842 /nfs/dbraw/zinc/17/78/42/1006177842.db2.gz FEMGOJXUDAYLDB-LJQANCHMSA-N 0 3 418.538 3.638 20 30 HHEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000534190332 1006179688 /nfs/dbraw/zinc/17/96/88/1006179688.db2.gz OHHIOWXBUVOHAS-UHFFFAOYSA-N 0 3 419.481 3.640 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000515294107 1006382765 /nfs/dbraw/zinc/38/27/65/1006382765.db2.gz ZGUBPLXZQXRRHU-JOCHJYFZSA-N 0 3 408.571 3.928 20 30 HHEDHN Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c2cnn(Cc3cccs3)c2n1 ZINC000538579639 1006846928 /nfs/dbraw/zinc/84/69/28/1006846928.db2.gz ZAGJKRHKJKCZFS-KRWDZBQOSA-N 0 3 402.483 3.746 20 30 HHEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c2cnn(Cc3cccs3)c2n1 ZINC000538579639 1006846945 /nfs/dbraw/zinc/84/69/45/1006846945.db2.gz ZAGJKRHKJKCZFS-KRWDZBQOSA-N 0 3 402.483 3.746 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000534891110 1006918808 /nfs/dbraw/zinc/91/88/08/1006918808.db2.gz CGXKYUMQAOHRIH-UHFFFAOYSA-N 0 3 412.484 3.641 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532981371 1007352702 /nfs/dbraw/zinc/35/27/02/1007352702.db2.gz BUBZRLCQODTOIG-QGZVFWFLSA-N 0 3 408.571 3.643 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)CC1 ZINC000517376981 1007609084 /nfs/dbraw/zinc/60/90/84/1007609084.db2.gz IZXXRQQQVSQPPA-UHFFFAOYSA-N 0 3 418.541 3.590 20 30 HHEDHN C=CCC[C@H](NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000539359230 1007659983 /nfs/dbraw/zinc/65/99/83/1007659983.db2.gz IFACWRVCOWYSBA-QFIPXVFZSA-N 0 3 406.530 3.660 20 30 HHEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000517440169 1007661976 /nfs/dbraw/zinc/66/19/76/1007661976.db2.gz KNEPSIPFXORJFF-FASAQXTFSA-N 0 3 400.910 3.784 20 30 HHEDHN N#Cc1ccsc1NC(=O)CCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000533369588 1007678231 /nfs/dbraw/zinc/67/82/31/1007678231.db2.gz GBNDPYXYQWCRKU-UHFFFAOYSA-N 0 3 406.515 3.613 20 30 HHEDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(OCc3cccc(C#N)c3)c(OC)c1)CC2 ZINC000533434673 1007748308 /nfs/dbraw/zinc/74/83/08/1007748308.db2.gz LXBHOVAMRHVJLU-NRFANRHFSA-N 0 3 420.509 3.921 20 30 HHEDHN CS(=O)(=O)Nc1cccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000517542748 1007758700 /nfs/dbraw/zinc/75/87/00/1007758700.db2.gz NZFCSXQZRRKXOE-UHFFFAOYSA-N 0 3 421.522 3.799 20 30 HHEDHN CC(C)(C)[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nc(-c2nc[n-]n2)no1 ZINC000539528573 1007836226 /nfs/dbraw/zinc/83/62/26/1007836226.db2.gz FJYWZXPKDSHYAZ-PSCUFVCCSA-N 0 3 405.506 3.936 20 30 HHEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000517658793 1007870986 /nfs/dbraw/zinc/87/09/86/1007870986.db2.gz RNWUKPGCUSPWOF-UHFFFAOYSA-N 0 3 402.542 3.675 20 30 HHEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1-c1ccccn1 ZINC000533650577 1007962038 /nfs/dbraw/zinc/96/20/38/1007962038.db2.gz ZSUOSIUPEDBZHM-UHFFFAOYSA-N 0 3 414.509 3.833 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCCN1CCCC[C@H]1C ZINC000517850314 1008010481 /nfs/dbraw/zinc/01/04/81/1008010481.db2.gz YVIYPZMEXLRILL-GOSISDBHSA-N 0 3 420.513 3.588 20 30 HHEDHN CCCc1nc2ccccc2n1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000539842303 1008133676 /nfs/dbraw/zinc/13/36/76/1008133676.db2.gz NSHFYPFSOXZRJD-UHFFFAOYSA-N 0 3 417.557 3.841 20 30 HHEDHN C=CCOc1ccc(CN2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)cc1OC ZINC000539851077 1008139846 /nfs/dbraw/zinc/13/98/46/1008139846.db2.gz KMUNCAVACDGCBZ-QGZVFWFLSA-N 0 3 414.468 3.883 20 30 HHEDHN CN1CC[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000533948015 1008225384 /nfs/dbraw/zinc/22/53/84/1008225384.db2.gz LWVOTVYAVXQUDX-UXHICEINSA-N 0 3 401.432 3.802 20 30 HHEDHN N#Cc1ccc(CSCC(=O)N2CCN(c3ccnc4ccccc43)CC2)cc1 ZINC000518411674 1008294908 /nfs/dbraw/zinc/29/49/08/1008294908.db2.gz SKIDMCFHCYHMBK-UHFFFAOYSA-N 0 3 402.523 3.688 20 30 HHEDHN CN(C)CCN(Cc1ccccn1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000540309212 1008375309 /nfs/dbraw/zinc/37/53/09/1008375309.db2.gz DLBSJYMKFCWDJI-UHFFFAOYSA-N 0 3 413.525 3.894 20 30 HHEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000518882354 1008457991 /nfs/dbraw/zinc/45/79/91/1008457991.db2.gz WIYHYQHROLPVOQ-UHFFFAOYSA-N 0 3 407.558 3.812 20 30 HHEDHN CC[C@H](C)N(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000540558490 1008481529 /nfs/dbraw/zinc/48/15/29/1008481529.db2.gz HMJRSMDHDKENBN-PZJWPPBQSA-N 0 3 410.587 3.758 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000545448802 1008561776 /nfs/dbraw/zinc/56/17/76/1008561776.db2.gz ANKGDLALTYJTBP-UHFFFAOYSA-N 0 3 416.529 3.516 20 30 HHEDHN C[C@H](N[C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)N(C)CCC#N ZINC000549116093 1008682937 /nfs/dbraw/zinc/68/29/37/1008682937.db2.gz NJHOVEMJOGMPHC-JVPBZIDWSA-N 0 3 408.949 3.743 20 30 HHEDHN COc1cccc([C@@H]2[C@H](NCC(=O)Nc3cc(Cl)ccc3C#N)CCN2C2CC2)c1 ZINC000549116444 1008684171 /nfs/dbraw/zinc/68/41/71/1008684171.db2.gz PLTXVGYLYSFJFE-NFBKMPQASA-N 0 3 424.932 3.726 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000519285689 1008696874 /nfs/dbraw/zinc/69/68/74/1008696874.db2.gz GOPIQTLKFFLFCO-UHFFFAOYSA-N 0 3 403.530 3.865 20 30 HHEDHN C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC000549260069 1008830681 /nfs/dbraw/zinc/83/06/81/1008830681.db2.gz MFCMFYQQURITDH-UHFFFAOYSA-N 0 3 417.561 3.772 20 30 HHEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549260246 1008830790 /nfs/dbraw/zinc/83/07/90/1008830790.db2.gz AXRZCESOVWSXCX-BGYRXZFFSA-N 0 3 424.593 3.632 20 30 HHEDHN N#CCCN(C(=O)CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000519503643 1008874311 /nfs/dbraw/zinc/87/43/11/1008874311.db2.gz UOMLQVKYDIIDNW-QHCPKHFHSA-N 0 3 418.541 3.667 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000543350343 1008936174 /nfs/dbraw/zinc/93/61/74/1008936174.db2.gz RWVNDSXLWBRUEP-LJQANCHMSA-N 0 3 422.529 3.712 20 30 HHEDHN COc1cccc([C@H]2[C@H](NCC(=O)N(CCC#N)c3ccccc3)CCN2C2CC2)c1 ZINC000549468176 1009061623 /nfs/dbraw/zinc/06/16/23/1009061623.db2.gz IMRZAXQBJRTNGM-NOZRDPDXSA-N 0 3 418.541 3.509 20 30 HHEDHN COc1cccc([C@@H]2[C@@H](NCC(=O)Nc3ccc(C#N)c(Cl)c3)CCN2C2CC2)c1 ZINC000549476304 1009073340 /nfs/dbraw/zinc/07/33/40/1009073340.db2.gz MJMRVEBLBSPECR-JTHBVZDNSA-N 0 3 424.932 3.726 20 30 HHEDHN C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000549656400 1009284288 /nfs/dbraw/zinc/28/42/88/1009284288.db2.gz FPPNEYNZFAEKRI-UHFFFAOYSA-N 0 3 423.605 3.578 20 30 HHEDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870691 1009438834 /nfs/dbraw/zinc/43/88/34/1009438834.db2.gz JLGDVFLXJPLMEG-GOSISDBHSA-N 0 3 405.523 3.854 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000543885195 1009460873 /nfs/dbraw/zinc/46/08/73/1009460873.db2.gz WPWMBHSRZPUESN-QFBILLFUSA-N 0 3 418.476 3.840 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)N3CCN(CC4CCCCC4)CC3)n2)c(F)c1 ZINC000543885310 1009461923 /nfs/dbraw/zinc/46/19/23/1009461923.db2.gz TXABDMPWILAUCO-UHFFFAOYSA-N 0 3 410.497 3.613 20 30 HHEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000543893045 1009473375 /nfs/dbraw/zinc/47/33/75/1009473375.db2.gz XPZNKJMAMZPCRN-UHFFFAOYSA-N 0 3 424.455 3.618 20 30 HHEDHN CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CCN1C ZINC000549963473 1009570812 /nfs/dbraw/zinc/57/08/12/1009570812.db2.gz NPVNPCVXMWFHQY-HXUWFJFHSA-N 0 3 406.559 3.703 20 30 HHEDHN CCN(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546905954 1009863820 /nfs/dbraw/zinc/86/38/20/1009863820.db2.gz VPKUJMKFDLRJFR-HSZRJFAPSA-N 0 3 413.525 3.789 20 30 HHEDHN CC[C@H](NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@H]1CCCO1 ZINC000544460543 1010083703 /nfs/dbraw/zinc/08/37/03/1010083703.db2.gz OMSWBZNHQKVLAC-RBBKRZOGSA-N 0 3 406.530 3.713 20 30 HHEDHN N#Cc1ccc(OC(F)F)c(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000521078292 1010094867 /nfs/dbraw/zinc/09/48/67/1010094867.db2.gz QTENSMGODFWJRX-UHFFFAOYSA-N 0 3 414.456 3.701 20 30 HHEDHN C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)N(C)Cc1ccccc1 ZINC000521095958 1010114555 /nfs/dbraw/zinc/11/45/55/1010114555.db2.gz ZLVZQRPNUYFRJA-SFHVURJKSA-N 0 3 403.482 3.981 20 30 HHEDHN C=CCN1CCC(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)CC1 ZINC000521577369 1010475245 /nfs/dbraw/zinc/47/52/45/1010475245.db2.gz IBZJMKRGTHGYBD-UHFFFAOYSA-N 0 3 417.351 3.632 20 30 HHEDHN CS(=O)(=O)Cc1cccc(CNCc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000521834158 1010646621 /nfs/dbraw/zinc/64/66/21/1010646621.db2.gz VGPHNWMOZFNONO-UHFFFAOYSA-N 0 3 420.534 3.972 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)N1CCCC[C@@H]1C ZINC000523053543 1011522647 /nfs/dbraw/zinc/52/26/47/1011522647.db2.gz VDQXWNBKYWTTBA-ZWKOTPCHSA-N 0 3 420.513 3.668 20 30 HHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540864678 1011539800 /nfs/dbraw/zinc/53/98/00/1011539800.db2.gz OBSKRTQUDZXQNT-QGZVFWFLSA-N 0 3 412.563 3.994 20 30 HHEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523083422 1011553242 /nfs/dbraw/zinc/55/32/42/1011553242.db2.gz CXTIGYZSKTWMIG-ROUUACIJSA-N 0 3 420.513 3.526 20 30 HHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)C2CCC(CO)CC2)c1C#N ZINC000536348712 1011553629 /nfs/dbraw/zinc/55/36/29/1011553629.db2.gz NLVNDJZOLYUBHS-UHFFFAOYSA-N 0 3 400.567 3.903 20 30 HHEDHN COc1ccc(CC[C@H]2CCCCN2CC(=O)NCc2cccc(C#N)c2)cc1OC ZINC000523197131 1011685499 /nfs/dbraw/zinc/68/54/99/1011685499.db2.gz BSWKDLDYFYGOMU-JOCHJYFZSA-N 0 3 421.541 3.679 20 30 HHEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CN1Cc1ccccc1 ZINC000541098501 1011744001 /nfs/dbraw/zinc/74/40/01/1011744001.db2.gz KSCDEURZRQKHSK-APWZRJJASA-N 0 3 418.476 3.668 20 30 HHEDHN CCN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000551932512 1012028672 /nfs/dbraw/zinc/02/86/72/1012028672.db2.gz WGVJQYUKRZDQED-CQSZACIVSA-N 0 3 411.303 3.912 20 30 HHEDHN CN(CCCN(C)C(=O)c1cn(CCCC#N)c2ccccc12)Cc1ccncc1 ZINC000552112865 1012129857 /nfs/dbraw/zinc/12/98/57/1012129857.db2.gz YEQARXKIXLLQJR-UHFFFAOYSA-N 0 3 403.530 3.934 20 30 HHEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000537067657 1012405745 /nfs/dbraw/zinc/40/57/45/1012405745.db2.gz ZFMDZRORYLABJX-OFNKIYASSA-N 0 3 406.457 3.847 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)CC1 ZINC000537226251 1012656250 /nfs/dbraw/zinc/65/62/50/1012656250.db2.gz SQPIPDYATUCBGZ-UHFFFAOYSA-N 0 3 404.408 3.523 20 30 HHEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000537282150 1012737133 /nfs/dbraw/zinc/73/71/33/1012737133.db2.gz WNNHYKJJVWIMIS-VWKPWSFCSA-N 0 3 403.548 3.588 20 30 HHEDHN N#Cc1ccc(CN2CCC(Nc3ccccc3OCCn3ccnc3)CC2)cc1 ZINC000541903097 1012762849 /nfs/dbraw/zinc/76/28/49/1012762849.db2.gz OCUZHSIAGNLXDJ-UHFFFAOYSA-N 0 3 401.514 3.910 20 30 HHEDHN C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)N(C)Cc1ccccc1 ZINC000542027220 1012922671 /nfs/dbraw/zinc/92/26/71/1012922671.db2.gz YTVMYDZBDOSVAG-MRXNPFEDSA-N 0 3 406.465 3.525 20 30 HHEDHN C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]2CCCC[C@H]12 ZINC000542053148 1012964313 /nfs/dbraw/zinc/96/43/13/1012964313.db2.gz XVCPWNGEHGRVEJ-MOXWOTFGSA-N 0 3 424.589 3.867 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)N(C)C)cc1 ZINC000553053764 1013027864 /nfs/dbraw/zinc/02/78/64/1013027864.db2.gz KEUCCKJKLQTYAT-NZQKXSOJSA-N 0 3 408.521 3.505 20 30 HHEDHN N#CCOc1ccc(CNCc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000729685262 1071809105 /nfs/dbraw/zinc/80/91/05/1071809105.db2.gz AZJDVSHAEPHTQP-UHFFFAOYSA-N 0 3 403.276 3.803 20 30 HHEDHN N#Cc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1Cl ZINC000586815452 1072434705 /nfs/dbraw/zinc/43/47/05/1072434705.db2.gz ZGYOYBRVPJTGJW-SFHVURJKSA-N 0 3 403.860 3.985 20 30 HHEDHN CC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000588023044 1072760060 /nfs/dbraw/zinc/76/00/60/1072760060.db2.gz OHJMPAYYONTQJO-HXUWFJFHSA-N 0 3 414.981 3.951 20 30 HHEDHN CCN1CCN([C@@H](C)CNc2c(C#N)cnc3c(Br)c(C)ccc32)CC1 ZINC000479378388 1072787003 /nfs/dbraw/zinc/78/70/03/1072787003.db2.gz LHOUCIWLMJRNAO-HNNXBMFYSA-N 0 3 416.367 3.615 20 30 HHEDHN CC(C)N1CC[C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000555129178 1073180390 /nfs/dbraw/zinc/18/03/90/1073180390.db2.gz KRCRYDMNBFAXIE-IFMALSPDSA-N 0 3 418.532 3.763 20 30 HHEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@H]3c4ccccc4CC34CCOCC4)C2=O)cc1 ZINC000573023643 1074062250 /nfs/dbraw/zinc/06/22/50/1074062250.db2.gz YSODNEVTBDKEJQ-DHIUTWEWSA-N 0 3 401.510 3.737 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000592071245 1074687761 /nfs/dbraw/zinc/68/77/61/1074687761.db2.gz PMUOOWUGPSHFGY-UHFFFAOYSA-N 0 3 408.333 3.653 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000592077157 1074688220 /nfs/dbraw/zinc/68/82/20/1074688220.db2.gz DJACGEZJZRWYFC-UHFFFAOYSA-N 0 3 415.541 3.764 20 30 HHEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)c1cccc(OCC(F)F)n1 ZINC000760964960 1074740901 /nfs/dbraw/zinc/74/09/01/1074740901.db2.gz CNYCYNRWTQVUEU-LLVKDONJSA-N 0 3 423.803 3.657 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)CC1 ZINC000592524202 1074781118 /nfs/dbraw/zinc/78/11/18/1074781118.db2.gz YNJBADKXGNJOJB-UHFFFAOYSA-N 0 3 417.351 3.649 20 30 HHEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnc(OCC(C)C)c(Cl)c2)c1 ZINC000783348931 1075469776 /nfs/dbraw/zinc/46/97/76/1075469776.db2.gz AAEQBFOAIRTKIZ-MRXNPFEDSA-N 0 3 401.850 3.740 20 30 HHEDHN C=CCN(Cc1cnc2c(cnn2C(C)C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213445 1075544600 /nfs/dbraw/zinc/54/46/00/1075544600.db2.gz OUUDBGDTFTUGSZ-QGZVFWFLSA-N 0 3 402.506 3.737 20 30 HHEDHN N#Cc1c[nH]c2nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)ccc12 ZINC001164906232 721709892 /nfs/dbraw/zinc/70/98/92/721709892.db2.gz LKGDRRAQHXXHHT-OAQYLSRUSA-N 0 3 408.456 3.567 20 30 HHEDHN N#Cc1ccccc1OCCN1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000537537343 1013051937 /nfs/dbraw/zinc/05/19/37/1013051937.db2.gz SGFNRWJOGQNLID-UHFFFAOYSA-N 0 3 420.431 3.905 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000537539349 1013053760 /nfs/dbraw/zinc/05/37/60/1013053760.db2.gz FDOSXLIEVKJMDQ-OAQYLSRUSA-N 0 3 410.493 3.684 20 30 HHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537562412 1013095457 /nfs/dbraw/zinc/09/54/57/1013095457.db2.gz SLGYDTQIIGTSND-MJGOQNOKSA-N 0 3 412.582 3.763 20 30 HHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2nnn(-c3ccc4ncccc4c3)c2C)cc1 ZINC000303332553 971636476 /nfs/dbraw/zinc/63/64/76/971636476.db2.gz JYWRYDXRQQHRTD-HXUWFJFHSA-N 0 3 424.464 3.648 20 30 HHEDHN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000303788954 972028479 /nfs/dbraw/zinc/02/84/79/972028479.db2.gz JPVGPWSHBNHPFZ-LPHOPBHVSA-N 0 3 417.962 3.885 20 30 HHEDHN COC(=O)c1cccc(NC(=O)C[C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000542186582 1013128446 /nfs/dbraw/zinc/12/84/46/1013128446.db2.gz YAIALQSUILYUSM-HNNXBMFYSA-N 0 3 418.415 3.850 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000542224009 1013178221 /nfs/dbraw/zinc/17/82/21/1013178221.db2.gz JGDZQBLDQMWHKL-UHFFFAOYSA-N 0 3 412.921 3.599 20 30 HHEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)COc3ccccc3C(F)(F)F)CC2)c1 ZINC000542281206 1013242547 /nfs/dbraw/zinc/24/25/47/1013242547.db2.gz ZNNVPBISZBJMFW-QGZVFWFLSA-N 0 3 420.431 3.860 20 30 HHEDHN CCN1CCCC[C@H]1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553290005 1013246575 /nfs/dbraw/zinc/24/65/75/1013246575.db2.gz XTFMPTKIGYMLFG-IBGZPJMESA-N 0 3 402.970 3.809 20 30 HHEDHN CC(C)([C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000542518482 1013462497 /nfs/dbraw/zinc/46/24/97/1013462497.db2.gz RZCNOBNXXAVDRN-OAQYLSRUSA-N 0 3 418.532 3.813 20 30 HHEDHN N#Cc1ccccc1N1CCCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000051852228 964721411 /nfs/dbraw/zinc/72/14/11/964721411.db2.gz MXWAVKOLKLWKFU-UHFFFAOYSA-N 0 3 400.885 3.892 20 30 HHEDHN COc1ccc2[nH]cc(C3=CCN(C[C@@H](O)COc4ccc(C#N)cc4)CC3)c2c1 ZINC000053073596 965054992 /nfs/dbraw/zinc/05/49/92/965054992.db2.gz JKZVRVFEYRXUSO-LJQANCHMSA-N 0 3 403.482 3.577 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000054720116 965620869 /nfs/dbraw/zinc/62/08/69/965620869.db2.gz RNNXYOFSYGTSJX-OFNKIYASSA-N 0 3 417.557 3.615 20 30 HHEDHN C[C@@H]1CN(CCOC2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000538045034 1013618002 /nfs/dbraw/zinc/61/80/02/1013618002.db2.gz JYFKJOGPFASHPO-KDURUIRLSA-N 0 3 424.507 3.647 20 30 HHEDHN CCN(CC(=O)N1CCCN(Cc2ccccc2C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469364 966159498 /nfs/dbraw/zinc/15/94/98/966159498.db2.gz OHSDWRIGGZOZMB-JOCHJYFZSA-N 0 3 418.585 3.984 20 30 HHEDHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000060688992 966259998 /nfs/dbraw/zinc/25/99/98/966259998.db2.gz OPBULLINOCVXFD-UHFFFAOYSA-N 0 3 420.513 3.622 20 30 HHEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000041497804 966581285 /nfs/dbraw/zinc/58/12/85/966581285.db2.gz STXBYUFBCGUTJG-CYBMUJFWSA-N 0 3 417.494 3.859 20 30 HHEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1-c1ccc(Br)cc1 ZINC000041560711 966597156 /nfs/dbraw/zinc/59/71/56/966597156.db2.gz FSJPKAODFQINRE-INIZCTEOSA-N 0 3 410.275 3.840 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1 ZINC000062368159 966650278 /nfs/dbraw/zinc/65/02/78/966650278.db2.gz ITGRVZPNUCVMJU-UHFFFAOYSA-N 0 3 401.308 3.916 20 30 HHEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000063789266 966958639 /nfs/dbraw/zinc/95/86/39/966958639.db2.gz JPWVFCWEWSGOPL-CVDCTZTESA-N 0 3 406.530 3.552 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H](c3nncn3C3CC3)C1)CCCC2 ZINC000538138352 1013699267 /nfs/dbraw/zinc/69/92/67/1013699267.db2.gz SFTWOEAGLQKSED-HNNXBMFYSA-N 0 3 424.574 3.633 20 30 HHEDHN CC(C)Oc1ccc(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000045894709 967588820 /nfs/dbraw/zinc/58/88/20/967588820.db2.gz MPBNGLKWBLBSTK-UHFFFAOYSA-N 0 3 408.546 3.661 20 30 HHEDHN CCN(CC)S(=O)(=O)c1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)cc1 ZINC000047338996 968145756 /nfs/dbraw/zinc/14/57/56/968145756.db2.gz UKXKXQYHQBJXFK-IBGZPJMESA-N 0 3 407.495 3.755 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)n2)c(Cl)c1 ZINC000542955829 1013786217 /nfs/dbraw/zinc/78/62/17/1013786217.db2.gz GHKPGSKDAHXDFQ-GOSISDBHSA-N 0 3 420.904 3.793 20 30 HHEDHN CN(C)[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)Cc1ccccc1 ZINC000048184219 968474244 /nfs/dbraw/zinc/47/42/44/968474244.db2.gz OPLNULAQDWYSNY-FQEVSTJZSA-N 0 3 403.482 3.633 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000065930522 968720442 /nfs/dbraw/zinc/72/04/42/968720442.db2.gz BHHUOIYZBADIBL-UHFFFAOYSA-N 0 3 418.566 3.738 20 30 HHEDHN CC(C)Oc1ncc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1Cl ZINC000065930292 968720532 /nfs/dbraw/zinc/72/05/32/968720532.db2.gz GHBRSQBVXLDZJD-UHFFFAOYSA-N 0 3 400.910 3.598 20 30 HHEDHN Cc1oc(-c2cccs2)nc1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930673 968720657 /nfs/dbraw/zinc/72/06/57/968720657.db2.gz JTASGTSXLQPBTN-UHFFFAOYSA-N 0 3 408.527 3.716 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000065930496 968720747 /nfs/dbraw/zinc/72/07/47/968720747.db2.gz QNEYQBPZSKGCIU-UHFFFAOYSA-N 0 3 417.513 3.521 20 30 HHEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000065938955 968729533 /nfs/dbraw/zinc/72/95/33/968729533.db2.gz SAFPQAWUNMGUOJ-MRXNPFEDSA-N 0 3 419.447 3.935 20 30 HHEDHN C=CCc1ccc(OCC(=O)NC2CCN(Cc3cccc(OC)c3)CC2)c(OC)c1 ZINC000072005152 968927731 /nfs/dbraw/zinc/92/77/31/968927731.db2.gz AOBMXGOVWQTAEF-UHFFFAOYSA-N 0 3 424.541 3.592 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000097428606 969137045 /nfs/dbraw/zinc/13/70/45/969137045.db2.gz IQMJWJUEBVBELV-HSZRJFAPSA-N 0 3 417.557 3.617 20 30 HHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111040246 969765095 /nfs/dbraw/zinc/76/50/95/969765095.db2.gz VFEZUPSHUQJNFG-QGZVFWFLSA-N 0 3 411.525 3.811 20 30 HHEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000195632995 969920522 /nfs/dbraw/zinc/92/05/22/969920522.db2.gz ZGNKIQYDMDIJDQ-UHFFFAOYSA-N 0 3 415.459 3.974 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c2c(n1)onc2C(C)C ZINC000195692182 969961047 /nfs/dbraw/zinc/96/10/47/969961047.db2.gz FDCSGXKSAWHCMJ-UHFFFAOYSA-N 0 3 405.502 3.730 20 30 HHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000138579491 970003352 /nfs/dbraw/zinc/00/33/52/970003352.db2.gz AGEYTSJIVYKZPW-OAHLLOKOSA-N 0 3 408.845 3.886 20 30 HHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCOCc2ccccc2)cc1Cl ZINC000140369056 970074359 /nfs/dbraw/zinc/07/43/59/970074359.db2.gz ZNKJMBHOBREZAY-QGZVFWFLSA-N 0 3 400.862 3.993 20 30 HHEDHN N#CC(C(=O)CSCc1ccc(Br)cc1F)C(=O)NC1CCCC1 ZINC000140423755 970076591 /nfs/dbraw/zinc/07/65/91/970076591.db2.gz GDDKNDBVZUYRJC-AWEZNQCLSA-N 0 3 413.312 3.589 20 30 HHEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237009385 970207153 /nfs/dbraw/zinc/20/71/53/970207153.db2.gz FEQAZJHTUROZCJ-ZWKOTPCHSA-N 0 3 415.559 3.859 20 30 HHEDHN N#CCCn1cc(CNCc2ccc(CN3CCCC3=O)cc2)c(-c2ccccc2)n1 ZINC000238061237 970430917 /nfs/dbraw/zinc/43/09/17/970430917.db2.gz LHJUPVSPXCZXOC-UHFFFAOYSA-N 0 3 413.525 3.876 20 30 HHEDHN N#Cc1ccc(CN2CCCN(c3ncnc4ccc(Br)cc43)CC2)cc1 ZINC000261374439 970632021 /nfs/dbraw/zinc/63/20/21/970632021.db2.gz XZMGPIKAXDXTIJ-UHFFFAOYSA-N 0 3 422.330 3.976 20 30 HHEDHN COc1ccc2ccccc2c1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000410204518 973700540 /nfs/dbraw/zinc/70/05/40/973700540.db2.gz PHHKGATUVLZMMB-UHFFFAOYSA-N 0 3 416.525 3.993 20 30 HHEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNc1cccc(C#N)c1 ZINC000426432610 974445985 /nfs/dbraw/zinc/44/59/85/974445985.db2.gz YDRWKEYFNHYZAJ-UHFFFAOYSA-N 0 3 404.436 3.579 20 30 HHEDHN C=CCOc1ccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000427298527 975034636 /nfs/dbraw/zinc/03/46/36/975034636.db2.gz DCKDURKEOQTMGH-KDURUIRLSA-N 0 3 416.562 3.612 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000427310046 975042843 /nfs/dbraw/zinc/04/28/43/975042843.db2.gz XFGZCLBPNHXOFA-RTBURBONSA-N 0 3 415.603 3.529 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)c1 ZINC000427508251 975152340 /nfs/dbraw/zinc/15/23/40/975152340.db2.gz ZJRWJEKQZRCTJK-RUZDIDTESA-N 0 3 421.541 3.751 20 30 HHEDHN N#Cc1cnc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000428029838 975396348 /nfs/dbraw/zinc/39/63/48/975396348.db2.gz GPPZUJKOBSURTJ-UHFFFAOYSA-N 0 3 419.312 3.533 20 30 HHEDHN N#CCCn1ncc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1-c1ccccc1 ZINC000428707855 975999489 /nfs/dbraw/zinc/99/94/89/975999489.db2.gz IKTLKSKIIPLJBF-JOCHJYFZSA-N 0 3 413.525 3.858 20 30 HHEDHN C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429005390 976286041 /nfs/dbraw/zinc/28/60/41/976286041.db2.gz GFPDXZVVWTVNEH-XMMPIXPASA-N 0 3 407.558 3.718 20 30 HHEDHN CN(C)CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CCCC1 ZINC000429781363 977064577 /nfs/dbraw/zinc/06/45/77/977064577.db2.gz STJBSGZTPDMUIY-UHFFFAOYSA-N 0 3 420.513 3.622 20 30 HHEDHN CN(C)CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CCCC1 ZINC000429811198 977085459 /nfs/dbraw/zinc/08/54/59/977085459.db2.gz NWMBLVWVEUFGNY-UHFFFAOYSA-N 0 3 420.513 3.622 20 30 HHEDHN C=CCn1c(SC[C@@H]2CN(Cc3ccccc3)CCCO2)nnc1-c1ccncc1 ZINC000430097763 977318039 /nfs/dbraw/zinc/31/80/39/977318039.db2.gz BZYQYVOJFUMMGG-NRFANRHFSA-N 0 3 421.570 3.909 20 30 HHEDHN C=CCN1C(=O)N(C[C@@H]2CCCN2Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431265064 978150913 /nfs/dbraw/zinc/15/09/13/978150913.db2.gz GNMUHVSNUHUCBG-GOTSBHOMSA-N 0 3 403.526 3.713 20 30 HHEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](Oc4ccncc4)C3)sc2C1 ZINC000431610382 978382703 /nfs/dbraw/zinc/38/27/03/978382703.db2.gz PXSRRPKXSLUTLK-RDJZCZTQSA-N 0 3 410.543 3.621 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000431801602 978524127 /nfs/dbraw/zinc/52/41/27/978524127.db2.gz PHMMGWCPMOFJOZ-UHFFFAOYSA-N 0 3 419.447 3.632 20 30 HHEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000432489913 978844695 /nfs/dbraw/zinc/84/46/95/978844695.db2.gz NEIILZWJRZQQQR-NRFANRHFSA-N 0 3 421.497 3.941 20 30 HHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000433108221 979076647 /nfs/dbraw/zinc/07/66/47/979076647.db2.gz ZQIILAZRXBSTKI-UHFFFAOYSA-N 0 3 418.463 3.847 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)[C@@H](C#N)CCc3ccccc3)CC2)c1 ZINC000433229737 979163509 /nfs/dbraw/zinc/16/35/09/979163509.db2.gz ZVSLSKVFKANTFX-XMMPIXPASA-N 0 3 418.585 3.786 20 30 HHEDHN N#CCCn1cc(CNCc2ccnc(N3CCCCCC3)c2)c(-c2ccncc2)n1 ZINC000433304716 979226311 /nfs/dbraw/zinc/22/63/11/979226311.db2.gz OBEXIRUVAQFCLA-UHFFFAOYSA-N 0 3 415.545 3.924 20 30 HHEDHN COc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1OC(F)F ZINC000433335446 979244619 /nfs/dbraw/zinc/24/46/19/979244619.db2.gz LTMJEPZUSOVQOG-UHFFFAOYSA-N 0 3 413.428 3.759 20 30 HHEDHN N#CCCn1cc(CNCc2ccc(N3CCCCC3)nc2)c(-c2ccncc2)n1 ZINC000433340877 979249227 /nfs/dbraw/zinc/24/92/27/979249227.db2.gz QTCTXPVJVGWLIR-UHFFFAOYSA-N 0 3 401.518 3.534 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000433807252 979589804 /nfs/dbraw/zinc/58/98/04/979589804.db2.gz FBETUMSXLDQPIN-UHFFFAOYSA-N 0 3 420.492 3.694 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000433939203 979698848 /nfs/dbraw/zinc/69/88/48/979698848.db2.gz GSDOKKDAUWWMFC-UHFFFAOYSA-N 0 3 415.497 3.690 20 30 HHEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)COc1ccccc1C#N ZINC000434314619 980075738 /nfs/dbraw/zinc/07/57/38/980075738.db2.gz MFMCGKFSLOORCY-NRFANRHFSA-N 0 3 415.497 3.528 20 30 HHEDHN CCCN1CCN(c2ccc(NC(=O)CNc3cccc(C#N)c3)c(OCC)c2)CC1 ZINC000435835569 981053427 /nfs/dbraw/zinc/05/34/27/981053427.db2.gz NCUSWBFEVIBIQM-UHFFFAOYSA-N 0 3 421.545 3.540 20 30 HHEDHN N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](N4CC=CC4)C3)c2)cc1 ZINC000437760350 982340546 /nfs/dbraw/zinc/34/05/46/982340546.db2.gz QMOGNJLZJRKVGX-JOCHJYFZSA-N 0 3 402.498 3.810 20 30 HHEDHN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460566437 982351280 /nfs/dbraw/zinc/35/12/80/982351280.db2.gz RXUWSBKXSYAYDG-KBPBESRZSA-N 0 3 407.360 3.531 20 30 HHEDHN C=C(C)[C@@H](NC(=O)N(CCC)CCN1CCN(CC)CC1)c1ccc(F)c(F)c1 ZINC000460880739 982620159 /nfs/dbraw/zinc/62/01/59/982620159.db2.gz KQCYNXIRAVOMEW-OAQYLSRUSA-N 0 3 408.537 3.641 20 30 HHEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000460886036 982624253 /nfs/dbraw/zinc/62/42/53/982624253.db2.gz UPHAJBIATKZDJS-DNVCBOLYSA-N 0 3 419.367 3.747 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000438376116 982753019 /nfs/dbraw/zinc/75/30/19/982753019.db2.gz ITVOYAHRMLXODD-FXAWDEMLSA-N 0 3 416.447 3.605 20 30 HHEDHN CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000438655572 982973376 /nfs/dbraw/zinc/97/33/76/982973376.db2.gz MHPQNFYZKHKIIU-UZLBHIALSA-N 0 3 424.932 3.834 20 30 HHEDHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000438858477 983124362 /nfs/dbraw/zinc/12/43/62/983124362.db2.gz OLYKVJVXUHZQHI-XMMPIXPASA-N 0 3 419.573 3.668 20 30 HHEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@H]1C ZINC000461509549 983157490 /nfs/dbraw/zinc/15/74/90/983157490.db2.gz RRURLEAOJDPTAG-IAGOWNOFSA-N 0 3 406.559 3.845 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000441686195 984395170 /nfs/dbraw/zinc/39/51/70/984395170.db2.gz IYGKZEXMTCEDOY-LZJOCLMNSA-N 0 3 424.570 3.827 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000442269610 984783153 /nfs/dbraw/zinc/78/31/53/984783153.db2.gz PBNUPZHKQIMXBL-UHFFFAOYSA-N 0 3 413.905 3.837 20 30 HHEDHN N#Cc1c(Cl)cccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000443079115 985365413 /nfs/dbraw/zinc/36/54/13/985365413.db2.gz NCMJSGNRSXIXDG-AYHJJNSGSA-N 0 3 415.946 3.686 20 30 HHEDHN C[C@H]1CN(CCCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000443671182 985876866 /nfs/dbraw/zinc/87/68/66/985876866.db2.gz BOPWBWQDDWIESU-PMACEKPBSA-N 0 3 421.541 3.756 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000463024039 985982884 /nfs/dbraw/zinc/98/28/84/985982884.db2.gz WCEQNFLFEWNABY-DVECYGJZSA-N 0 3 418.541 3.632 20 30 HHEDHN CC(C)c1nn(C)c2sc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc12 ZINC000463120363 986084947 /nfs/dbraw/zinc/08/49/47/986084947.db2.gz PKRATJLNRQQHOF-UHFFFAOYSA-N 0 3 409.559 3.834 20 30 HHEDHN N#Cc1ccc(C2(C(=O)NC3CCN(CCOc4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000444031570 986227109 /nfs/dbraw/zinc/22/71/09/986227109.db2.gz NDIWXYGFNNCVTC-UHFFFAOYSA-N 0 3 423.944 3.903 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000463263339 986231246 /nfs/dbraw/zinc/23/12/46/986231246.db2.gz VILUMPIUNQZYQP-DHIUTWEWSA-N 0 3 406.530 3.552 20 30 HHEDHN Cc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c(-n2cc(Cl)cn2)n1 ZINC000468620553 986336192 /nfs/dbraw/zinc/33/61/92/986336192.db2.gz KQYNXUTYJIZASM-UHFFFAOYSA-N 0 3 417.904 3.791 20 30 HHEDHN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000468873714 986581007 /nfs/dbraw/zinc/58/10/07/986581007.db2.gz FVKAWUVUKAUDJO-UHFFFAOYSA-N 0 3 423.467 3.535 20 30 HHEDHN C=CCc1cc(CNC(=O)c2ccc(N3CCN(CC)CC3)cc2)cc(OC)c1OC ZINC000469127428 986846563 /nfs/dbraw/zinc/84/65/63/986846563.db2.gz YTYZTXXNXQHYJJ-UHFFFAOYSA-N 0 3 423.557 3.504 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)cc1 ZINC000469472748 987157106 /nfs/dbraw/zinc/15/71/06/987157106.db2.gz PSVFAVXRTHOPPO-JOCHJYFZSA-N 0 3 408.546 3.881 20 30 HHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000469634217 987293319 /nfs/dbraw/zinc/29/33/19/987293319.db2.gz RXBFQMMRRHSLSH-JOCHJYFZSA-N 0 3 420.557 3.699 20 30 HHEDHN COC(=O)c1cc(Br)cc(C(=O)C(C#N)c2nc3ccccc3n2C)c1 ZINC000464194349 988314640 /nfs/dbraw/zinc/31/46/40/988314640.db2.gz RVHZPOBJDZCXLV-AWEZNQCLSA-N 0 3 412.243 3.612 20 30 HHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2c(CC)nc3ccc(Cl)cn32)n1 ZINC000464195198 988314915 /nfs/dbraw/zinc/31/49/15/988314915.db2.gz WFOKKCOICJYFRO-NSHDSACASA-N 0 3 402.863 3.673 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCc3c(Br)ccc(Cl)c3C2)CC1 ZINC000464364763 988522388 /nfs/dbraw/zinc/52/23/88/988522388.db2.gz JGSHGMDYNKRYOK-UHFFFAOYSA-N 0 3 412.759 3.821 20 30 HHEDHN CN(C(=O)CN(CCCOc1ccccc1)C1CCOCC1)C1(C#N)CCCCC1 ZINC000464583100 988762631 /nfs/dbraw/zinc/76/26/31/988762631.db2.gz RGECLAVFPGLNQV-UHFFFAOYSA-N 0 3 413.562 3.621 20 30 HHEDHN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCN(c2ccccn2)CC1 ZINC000464813227 989047651 /nfs/dbraw/zinc/04/76/51/989047651.db2.gz XDGVSGKDEGDRHM-UHFFFAOYSA-N 0 3 402.502 3.742 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000471969815 990135271 /nfs/dbraw/zinc/13/52/71/990135271.db2.gz KOVIHGXWJXLEKO-HNNXBMFYSA-N 0 3 401.486 3.585 20 30 HHEDHN CO[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000466088486 991267371 /nfs/dbraw/zinc/26/73/71/991267371.db2.gz GJGVNFZZRLRMGW-NRFANRHFSA-N 0 3 414.937 3.673 20 30 HHEDHN COc1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1OCCCC#N ZINC000466475584 991767856 /nfs/dbraw/zinc/76/78/56/991767856.db2.gz UNLZQPOADBTPHY-RXVVDRJESA-N 0 3 407.514 3.657 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000466531318 991830365 /nfs/dbraw/zinc/83/03/65/991830365.db2.gz TVINHQIFKSZBEZ-WIYYLYMNSA-N 0 3 408.502 3.955 20 30 HHEDHN COc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1OC(C)C ZINC000467666905 992925502 /nfs/dbraw/zinc/92/55/02/992925502.db2.gz DXHOKNLEVUJQNJ-UHFFFAOYSA-N 0 3 410.518 3.950 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN([C@@H](C)CO)C2CCCC2)c1C#N ZINC000472629312 993570950 /nfs/dbraw/zinc/57/09/50/993570950.db2.gz KVFXDHCLNCZHSC-KRWDZBQOSA-N 0 3 408.546 3.589 20 30 HHEDHN C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000481064298 993904375 /nfs/dbraw/zinc/90/43/75/993904375.db2.gz UTOVHZUDSHABIH-UWJYYQICSA-N 0 3 415.534 3.512 20 30 HHEDHN N#Cc1c(NC(=O)CCN2CC[C@@]3(C2)OCc2ccccc23)sc2c1CCCC2 ZINC000473175226 994042408 /nfs/dbraw/zinc/04/24/08/994042408.db2.gz SKLKKYYFEWGUKS-QHCPKHFHSA-N 0 3 407.539 3.959 20 30 HHEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000481266616 994085316 /nfs/dbraw/zinc/08/53/16/994085316.db2.gz CXVCXVCPCPAZDO-YADHBBJMSA-N 0 3 422.598 3.978 20 30 HHEDHN N#Cc1ccc(CSCC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000473517393 994371723 /nfs/dbraw/zinc/37/17/23/994371723.db2.gz AASCXNKLUOLQLK-UHFFFAOYSA-N 0 3 411.493 3.713 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@]3(C1)OCc1ccccc13)CCC2 ZINC000481717119 994578368 /nfs/dbraw/zinc/57/83/68/994578368.db2.gz ISGUUFZQHQSUCP-HSZRJFAPSA-N 0 3 407.539 3.959 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000473808913 994734874 /nfs/dbraw/zinc/73/48/74/994734874.db2.gz PMDJJHLPJAUJRO-QGZVFWFLSA-N 0 3 411.377 3.912 20 30 HHEDHN CC1(N(CC(=O)NCc2cccc(C#N)c2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000474270074 995266990 /nfs/dbraw/zinc/26/69/90/995266990.db2.gz WXEGVYYOKYWMNW-UHFFFAOYSA-N 0 3 405.498 3.738 20 30 HHEDHN C=C(C)COc1cc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)ccc1OC ZINC000482736695 995715533 /nfs/dbraw/zinc/71/55/33/995715533.db2.gz XLZDXJWVZQAFDQ-AUSIDOKSSA-N 0 3 416.468 3.990 20 30 HHEDHN N#CC(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1cnc2ccccc2n1 ZINC000483248164 996059491 /nfs/dbraw/zinc/05/94/91/996059491.db2.gz ZSQTYBSKXDUYCS-LJQANCHMSA-N 0 3 404.433 3.913 20 30 HHEDHN CCc1nnc(-c2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)o1 ZINC000475675060 996292721 /nfs/dbraw/zinc/29/27/21/996292721.db2.gz GFABFUWDWJNZID-UHFFFAOYSA-N 0 3 418.501 3.766 20 30 HHEDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000483724329 996350739 /nfs/dbraw/zinc/35/07/39/996350739.db2.gz KVJYPGACQITRQK-LEWJYISDSA-N 0 3 412.509 3.650 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1)[C@H]1CCCN(C)C1 ZINC000476136276 996625897 /nfs/dbraw/zinc/62/58/97/996625897.db2.gz FMYGQUICJJPTJR-GMAHTHKFSA-N 0 3 418.541 3.879 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000476947435 997563699 /nfs/dbraw/zinc/56/36/99/997563699.db2.gz CUXBQIRPNYPHET-QGZVFWFLSA-N 0 3 410.484 3.624 20 30 HHEDHN C=CCSc1ccccc1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000485452838 997895374 /nfs/dbraw/zinc/89/53/74/997895374.db2.gz DVGNSOVMZVTPLR-UHFFFAOYSA-N 0 3 409.599 3.902 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCN(C3CCCCC3)CC2)c1C#N ZINC000486248002 998674494 /nfs/dbraw/zinc/67/44/94/998674494.db2.gz BSVPCNBTVSVPGY-UHFFFAOYSA-N 0 3 423.561 3.507 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000486294251 998699602 /nfs/dbraw/zinc/69/96/02/998699602.db2.gz VLLICAVKOTXIRR-UHFFFAOYSA-N 0 3 417.351 3.714 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000488332721 999444394 /nfs/dbraw/zinc/44/43/94/999444394.db2.gz TWFPCYRZUQWAKJ-IAGOWNOFSA-N 0 3 402.564 3.798 20 30 HHEDHN Cc1ccc(NC(=O)C[C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000488479822 999501854 /nfs/dbraw/zinc/50/18/54/999501854.db2.gz BUFGXGYFCWCTAK-IERDGZPVSA-N 0 3 424.932 3.628 20 30 HHEDHN Cc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000488482790 999503190 /nfs/dbraw/zinc/50/31/90/999503190.db2.gz SDSISISGYNZVSB-IIBYNOLFSA-N 0 3 424.932 3.628 20 30 HHEDHN Cn1cc(CNCc2ccc(NC(=O)c3ccncc3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479993730 999678583 /nfs/dbraw/zinc/67/85/83/999678583.db2.gz WIKMHAJETDTLEG-UHFFFAOYSA-N 0 3 422.492 3.896 20 30 HHEDHN CCNC(=O)Nc1ccc(C)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000490289203 999929457 /nfs/dbraw/zinc/92/94/57/999929457.db2.gz GFNHZFHUWYBDAW-UHFFFAOYSA-N 0 3 422.533 3.604 20 30 HHEDHN Cc1ccc(C(=O)NC2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)s1 ZINC000491145847 1000050000 /nfs/dbraw/zinc/05/00/00/1000050000.db2.gz NJCRTSWSIAQNIA-UHFFFAOYSA-N 0 3 419.554 3.723 20 30 HHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000491571081 1000084490 /nfs/dbraw/zinc/08/44/90/1000084490.db2.gz ZUUYWXAMFNBVSJ-FPOVZHCZSA-N 0 3 419.550 3.694 20 30 HHEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000492211011 1000115544 /nfs/dbraw/zinc/11/55/44/1000115544.db2.gz PJAAANQHHIUKLU-FXAWDEMLSA-N 0 3 406.486 3.917 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504896638 1000434530 /nfs/dbraw/zinc/43/45/30/1000434530.db2.gz UOCBDVGYNKBTFY-QFIPXVFZSA-N 0 3 408.571 3.755 20 30 HHEDHN C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000505634012 1000945917 /nfs/dbraw/zinc/94/59/17/1000945917.db2.gz QHNBXCKLDYRTRQ-NTKDMRAZSA-N 0 3 406.530 3.521 20 30 HHEDHN C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000505634013 1000946152 /nfs/dbraw/zinc/94/61/52/1000946152.db2.gz QHNBXCKLDYRTRQ-YADARESESA-N 0 3 406.530 3.521 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000505774504 1001016504 /nfs/dbraw/zinc/01/65/04/1001016504.db2.gz XCSAOMZDUAAXKL-UHFFFAOYSA-N 0 3 400.866 3.536 20 30 HHEDHN COc1ccccc1NC(=O)c1ccc(NC(=O)CCN2CCC(C)(C#N)CC2)cc1 ZINC000506052769 1001193794 /nfs/dbraw/zinc/19/37/94/1001193794.db2.gz YNUYYQAKYGZYFY-UHFFFAOYSA-N 0 3 420.513 3.902 20 30 HHEDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000497402448 1001340671 /nfs/dbraw/zinc/34/06/71/1001340671.db2.gz CQJPTXFSIVQSHG-BJKOFHAPSA-N 0 3 411.505 3.965 20 30 HHEDHN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497883689 1001549349 /nfs/dbraw/zinc/54/93/49/1001549349.db2.gz MMLFCHCVMZJPAJ-OAHLLOKOSA-N 0 3 403.885 3.708 20 30 HHEDHN CCOC(=O)c1c(C)csc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000506990672 1001750807 /nfs/dbraw/zinc/75/08/07/1001750807.db2.gz QYOQIVNRUVWDLO-UHFFFAOYSA-N 0 3 414.531 3.701 20 30 HHEDHN COc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)ccc1OCC(=O)N1CCCC1 ZINC000507144619 1001835948 /nfs/dbraw/zinc/83/59/48/1001835948.db2.gz QBUYWIBWMRAQAR-UHFFFAOYSA-N 0 3 421.541 3.979 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(CCC)[C@H](C)CC(=O)Nc2ccccc2)CC1 ZINC000507180482 1001868114 /nfs/dbraw/zinc/86/81/14/1001868114.db2.gz LKXJXZDJRGQJAY-LJQANCHMSA-N 0 3 400.567 3.866 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(CCC)[C@@H](C)CC(=O)Nc2ccccc2)CC1 ZINC000507180481 1001867907 /nfs/dbraw/zinc/86/79/07/1001867907.db2.gz LKXJXZDJRGQJAY-IBGZPJMESA-N 0 3 400.567 3.866 20 30 HHEDHN CCCN1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)c(OCC)c2)CC1 ZINC000507609846 1002215434 /nfs/dbraw/zinc/21/54/34/1002215434.db2.gz GJTHCHJYCRGZFM-UHFFFAOYSA-N 0 3 421.545 3.540 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H](c3nnc(C4CC4)[nH]3)C1)CCCC2 ZINC000498910071 1002303633 /nfs/dbraw/zinc/30/36/33/1002303633.db2.gz BUXFPAGJEPRJHX-HNNXBMFYSA-N 0 3 424.574 3.702 20 30 HHEDHN C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000508461990 1002947690 /nfs/dbraw/zinc/94/76/90/1002947690.db2.gz RETSRUCAAWXFSX-UHFFFAOYSA-N 0 3 420.561 3.615 20 30 HHEDHN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC000508825611 1003248592 /nfs/dbraw/zinc/24/85/92/1003248592.db2.gz FQKNKFBUXKQPLQ-HXUWFJFHSA-N 0 3 420.561 3.616 20 30 HHEDHN COc1ccc(C#N)cc1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509105416 1003556440 /nfs/dbraw/zinc/55/64/40/1003556440.db2.gz DMKANLSYFALNCQ-HXUWFJFHSA-N 0 3 403.404 3.960 20 30 HHEDHN CSc1cccc(F)c1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000509363360 1003792560 /nfs/dbraw/zinc/79/25/60/1003792560.db2.gz GANYVKGPXZZAFF-UHFFFAOYSA-N 0 3 400.523 3.693 20 30 HHEDHN C[C@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H](c1ccccc1)N(C)C ZINC000500897296 1004036936 /nfs/dbraw/zinc/03/69/36/1004036936.db2.gz XECQZWYPRRAKNW-VCQPGSONSA-N 0 3 421.545 3.634 20 30 HHEDHN CCC[C@]1(NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCOC1 ZINC000512261908 1004163528 /nfs/dbraw/zinc/16/35/28/1004163528.db2.gz ORVYNEPRGCQENU-QHCPKHFHSA-N 0 3 412.509 3.651 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000512316219 1004212304 /nfs/dbraw/zinc/21/23/04/1004212304.db2.gz XUPVTTYDPSBCKV-UHFFFAOYSA-N 0 3 419.916 3.873 20 30 HHEDHN N#Cc1ccc(OC2CCC(NC(=O)c3cccc(CN4CCCC4)c3)CC2)nc1 ZINC000509947715 1004225961 /nfs/dbraw/zinc/22/59/61/1004225961.db2.gz WRYIHWQDICIMNR-UHFFFAOYSA-N 0 3 404.514 3.669 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000501424779 1004412314 /nfs/dbraw/zinc/41/23/14/1004412314.db2.gz JVBAHXRJWFAYIX-UXHICEINSA-N 0 3 420.347 3.583 20 30 HHEDHN C=CCN1CCC(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC000512680248 1004488100 /nfs/dbraw/zinc/48/81/00/1004488100.db2.gz KTQIGHQVEFNCNC-UHFFFAOYSA-N 0 3 407.230 3.728 20 30 HHEDHN N#Cc1ccsc1NC(=O)CCN[C@H]1CCOc2c(Br)cccc21 ZINC000501551992 1004509943 /nfs/dbraw/zinc/50/99/43/1004509943.db2.gz OKYYRDLLECXPQR-AWEZNQCLSA-N 0 3 406.305 3.824 20 30 HHEDHN N#Cc1cccc(COc2cccc(CN3CCC(c4ccnn4CCO)CC3)c2)c1 ZINC000512805541 1004569519 /nfs/dbraw/zinc/56/95/19/1004569519.db2.gz IIISOWSOEIKUCK-UHFFFAOYSA-N 0 3 416.525 3.706 20 30 HHEDHN CCOc1ccc(NC(=O)CCN2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512812652 1004575084 /nfs/dbraw/zinc/57/50/84/1004575084.db2.gz XJCYTGIOCFNRCW-UHFFFAOYSA-N 0 3 411.477 3.968 20 30 HHEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000510534443 1004666010 /nfs/dbraw/zinc/66/60/10/1004666010.db2.gz PRDZDBCCONIWAH-HSZRJFAPSA-N 0 3 418.541 3.897 20 30 HHEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000510636381 1004769202 /nfs/dbraw/zinc/76/92/02/1004769202.db2.gz CSSQRSVGXRFGHX-UHFFFAOYSA-N 0 3 403.477 3.989 20 30 HHEDHN C=CCOc1ccc(CNCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC000513120404 1004817561 /nfs/dbraw/zinc/81/75/61/1004817561.db2.gz NJDPHFNDOKMLDJ-LJQANCHMSA-N 0 3 414.571 3.962 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1C#N ZINC000513575108 1005031458 /nfs/dbraw/zinc/03/14/58/1005031458.db2.gz UJHMUXVHCXEIAC-GOSISDBHSA-N 0 3 406.555 3.947 20 30 HHEDHN COc1cc(C(=O)C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)NC(C)C ZINC000513686779 1005082273 /nfs/dbraw/zinc/08/22/73/1005082273.db2.gz FYKGFAGDQPAOPP-OAHLLOKOSA-N 0 3 423.494 3.698 20 30 HHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000513724891 1005097492 /nfs/dbraw/zinc/09/74/92/1005097492.db2.gz KAZRGHMHFREUCR-HXOBKFHXSA-N 0 3 413.541 3.534 20 30 HHEDHN C[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)N(C)Cc1ccccc1 ZINC000511673923 1005271119 /nfs/dbraw/zinc/27/11/19/1005271119.db2.gz WNTBLMQOVKAWNS-SFHVURJKSA-N 0 3 408.521 3.550 20 30 HHEDHN Cc1nccn1CCCN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000503077299 1005341000 /nfs/dbraw/zinc/34/10/00/1005341000.db2.gz RWJJBKLPIJSIAT-UHFFFAOYSA-N 0 3 422.508 3.570 20 30 HHEDHN N#Cc1ccnc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)c1 ZINC000503354006 1005396362 /nfs/dbraw/zinc/39/63/62/1005396362.db2.gz RKFRHANVHGNWTJ-UHFFFAOYSA-N 0 3 411.509 3.570 20 30 HHEDHN N#Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(Cl)c1 ZINC000503511193 1005440795 /nfs/dbraw/zinc/44/07/95/1005440795.db2.gz YEHPDOSZAWAVEF-YQQQUEKLSA-N 0 3 415.946 3.686 20 30 HHEDHN CCN1CCN(c2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)CC1 ZINC000503900471 1005507545 /nfs/dbraw/zinc/50/75/45/1005507545.db2.gz JBMWWOHAHXWWGM-UHFFFAOYSA-N 0 3 400.526 3.630 20 30 HHEDHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000514546035 1006030970 /nfs/dbraw/zinc/03/09/70/1006030970.db2.gz KALPCNYQFLQZKT-NRFANRHFSA-N 0 3 406.530 3.626 20 30 HHEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000534098520 1006070552 /nfs/dbraw/zinc/07/05/52/1006070552.db2.gz NVHJBSXTQMGZNJ-UHFFFAOYSA-N 0 3 410.909 3.556 20 30 HHEDHN CN(C)CCn1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1=O ZINC000534492075 1006490029 /nfs/dbraw/zinc/49/00/29/1006490029.db2.gz KHEFUGZOBCKKKN-UHFFFAOYSA-N 0 3 418.522 3.685 20 30 HHEDHN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000534565607 1006555495 /nfs/dbraw/zinc/55/54/95/1006555495.db2.gz ZTAALNAVFJHBMF-UHFFFAOYSA-N 0 3 401.514 3.769 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000534594364 1006576781 /nfs/dbraw/zinc/57/67/81/1006576781.db2.gz IQSZRGALLYXMPU-UHFFFAOYSA-N 0 3 407.905 3.601 20 30 HHEDHN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000538373036 1006643828 /nfs/dbraw/zinc/64/38/28/1006643828.db2.gz VKCPBHWLIDSFPE-VGSWGCGISA-N 0 3 412.509 3.547 20 30 HHEDHN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000538373029 1006644023 /nfs/dbraw/zinc/64/40/23/1006644023.db2.gz VKCPBHWLIDSFPE-HTAPYJJXSA-N 0 3 412.509 3.547 20 30 HHEDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000538719371 1006993690 /nfs/dbraw/zinc/99/36/90/1006993690.db2.gz FYXALILGYQYADM-ZEQRLZLVSA-N 0 3 406.526 3.889 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc(OC)c1OC ZINC000535397611 1007464198 /nfs/dbraw/zinc/46/41/98/1007464198.db2.gz FGKVLVMKQKNNKI-IRLDBZIGSA-N 0 3 409.530 3.677 20 30 HHEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535465551 1007529142 /nfs/dbraw/zinc/52/91/42/1007529142.db2.gz ANYBOZFCWWDYOR-KKSFZXQISA-N 0 3 403.548 3.539 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000539259273 1007553948 /nfs/dbraw/zinc/55/39/48/1007553948.db2.gz BPOUFGLVQLUUJB-RBUKOAKNSA-N 0 3 417.513 3.867 20 30 HHEDHN C=CCN1CCC(NC(=O)N(Cc2cc(Br)ccc2F)C2CC2)CC1 ZINC000517341901 1007581591 /nfs/dbraw/zinc/58/15/91/1007581591.db2.gz NMMKMMMSTXVSDH-UHFFFAOYSA-N 0 3 410.331 3.913 20 30 HHEDHN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000535544655 1007584726 /nfs/dbraw/zinc/58/47/26/1007584726.db2.gz ZUCNMEJSJKWKSZ-INIZCTEOSA-N 0 3 418.501 3.547 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cc(Br)ccc2OC)CC1 ZINC000533278879 1007591262 /nfs/dbraw/zinc/59/12/62/1007591262.db2.gz XPTVDQCRVGRGPI-UHFFFAOYSA-N 0 3 410.356 3.640 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C[C@@H](C)O)C2CCCCC2)c1C#N ZINC000533285004 1007598032 /nfs/dbraw/zinc/59/80/32/1007598032.db2.gz LUGRQEVCPOLFBY-GOSISDBHSA-N 0 3 422.573 3.979 20 30 HHEDHN C=CCC[C@@H](NCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000539360712 1007662315 /nfs/dbraw/zinc/66/23/15/1007662315.db2.gz PZNAKSSOFGYMFW-HSZRJFAPSA-N 0 3 411.590 3.971 20 30 HHEDHN COCCN(CCC(=O)Nc1cccc(Br)c1)Cc1ccc(C#N)cc1 ZINC000533402551 1007713223 /nfs/dbraw/zinc/71/32/23/1007713223.db2.gz ZSYVMBPBSMLKAJ-UHFFFAOYSA-N 0 3 416.319 3.798 20 30 HHEDHN CC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000539491577 1007803390 /nfs/dbraw/zinc/80/33/90/1007803390.db2.gz QUFFHVBQYUOHBZ-OALUTQOASA-N 0 3 416.978 3.851 20 30 HHEDHN Cc1cccc(C)c1OCCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000517737259 1007938598 /nfs/dbraw/zinc/93/85/98/1007938598.db2.gz XPTSXGIWHFGYRX-UHFFFAOYSA-N 0 3 408.546 3.717 20 30 HHEDHN N#CC1(c2ccc(C(=O)NC3CCN(CCOc4ccc(F)cc4)CC3)cc2)CC1 ZINC000539673067 1007993504 /nfs/dbraw/zinc/99/35/04/1007993504.db2.gz UHXSNIFHFXMHTM-UHFFFAOYSA-N 0 3 407.489 3.654 20 30 HHEDHN Cc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1Br ZINC000535997838 1008041436 /nfs/dbraw/zinc/04/14/36/1008041436.db2.gz BZQZVJVTIYTBLQ-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000517965405 1008074925 /nfs/dbraw/zinc/07/49/25/1008074925.db2.gz HCXFTFULVJIWLY-UHFFFAOYSA-N 0 3 421.545 3.911 20 30 HHEDHN CN(C(=O)c1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1)c1ccccc1 ZINC000536070877 1008097963 /nfs/dbraw/zinc/09/79/63/1008097963.db2.gz MSUQGFQPIXYCLL-FQEVSTJZSA-N 0 3 413.481 3.771 20 30 HHEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2c3c(cccc31)CC2)C(C)C ZINC000518593205 1008359197 /nfs/dbraw/zinc/35/91/97/1008359197.db2.gz DRFLTJZHAIIGSW-QFIPXVFZSA-N 0 3 405.542 3.692 20 30 HHEDHN C=CCC[C@H](NCC(=O)NC(=O)NCc1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000540428871 1008429525 /nfs/dbraw/zinc/42/95/25/1008429525.db2.gz ATXBNMCQXNFVNH-KRWDZBQOSA-N 0 3 409.408 3.921 20 30 HHEDHN CC1(c2ccccc2)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000540546475 1008476163 /nfs/dbraw/zinc/47/61/63/1008476163.db2.gz PDQZLBKWCQVKRV-NRFANRHFSA-N 0 3 422.598 3.511 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N1CCC[C@@H](C)C1 ZINC000519088806 1008526459 /nfs/dbraw/zinc/52/64/59/1008526459.db2.gz ROFXROYBGGXYHF-QZTJIDSGSA-N 0 3 420.513 3.526 20 30 HHEDHN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000549254150 1008825669 /nfs/dbraw/zinc/82/56/69/1008825669.db2.gz SANXNZVEMANRSU-UHFFFAOYSA-N 0 3 415.626 3.916 20 30 HHEDHN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000549301541 1008876802 /nfs/dbraw/zinc/87/68/02/1008876802.db2.gz BRVBLMUMDHCGON-QFIPXVFZSA-N 0 3 419.577 3.746 20 30 HHEDHN C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000549301880 1008877068 /nfs/dbraw/zinc/87/70/68/1008877068.db2.gz OTHHBICHAQTZQJ-UHFFFAOYSA-N 0 3 420.561 3.551 20 30 HHEDHN CC(C)N1CC[C@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000549467398 1009059148 /nfs/dbraw/zinc/05/91/48/1009059148.db2.gz CMFFTRLRCQEFCG-RXYZOABWSA-N 0 3 412.484 3.977 20 30 HHEDHN C=C(C)Cn1c(C2CCC2)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549734739 1009358111 /nfs/dbraw/zinc/35/81/11/1009358111.db2.gz QLFCQJLJNZRZFL-RTBURBONSA-N 0 3 401.599 3.837 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000543885193 1009461153 /nfs/dbraw/zinc/46/11/53/1009461153.db2.gz WPWMBHSRZPUESN-APWZRJJASA-N 0 3 418.476 3.840 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)cc1 ZINC000544514248 1010138710 /nfs/dbraw/zinc/13/87/10/1010138710.db2.gz ITLVBNGJYKXOJP-HOOSLVGPSA-N 0 3 407.514 3.875 20 30 HHEDHN COCCN1CCC(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000521279304 1010274064 /nfs/dbraw/zinc/27/40/64/1010274064.db2.gz ATFBMENPEUZVEL-UHFFFAOYSA-N 0 3 422.529 3.564 20 30 HHEDHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccccc2SCCC#N)c1 ZINC000521742831 1010587160 /nfs/dbraw/zinc/58/71/60/1010587160.db2.gz UHTSTIQFPSOOCO-UHFFFAOYSA-N 0 3 424.570 3.530 20 30 HHEDHN N#CC1(c2ccccn2)CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000548883950 1010752096 /nfs/dbraw/zinc/75/20/96/1010752096.db2.gz RKKLHOFLOAYJBG-FQEVSTJZSA-N 0 3 406.505 3.517 20 30 HHEDHN COCCN1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000522433953 1011009359 /nfs/dbraw/zinc/00/93/59/1011009359.db2.gz NXALNYJJWJNAOR-UHFFFAOYSA-N 0 3 424.520 3.520 20 30 HHEDHN COCCN1CCC(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000522586313 1011093960 /nfs/dbraw/zinc/09/39/60/1011093960.db2.gz ILRVZFIGQQYABC-UHFFFAOYSA-N 0 3 413.905 3.845 20 30 HHEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000522845745 1011285413 /nfs/dbraw/zinc/28/54/13/1011285413.db2.gz DBYDJXFLYDWIBE-JOCHJYFZSA-N 0 3 408.502 3.925 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)n1 ZINC000540979563 1011612045 /nfs/dbraw/zinc/61/20/45/1011612045.db2.gz XBSQTBCHQXWACY-GOSISDBHSA-N 0 3 424.505 3.903 20 30 HHEDHN CN(C)[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)Cc1ccccc1 ZINC000541104487 1011751659 /nfs/dbraw/zinc/75/16/59/1011751659.db2.gz CIGNKRHGLWGIOP-IBGZPJMESA-N 0 3 422.920 3.692 20 30 HHEDHN N#Cc1ccc(OC[C@H](O)CN[C@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000537067655 1012405367 /nfs/dbraw/zinc/40/53/67/1012405367.db2.gz ZFMDZRORYLABJX-NFBKMPQASA-N 0 3 406.457 3.847 20 30 HHEDHN C[C@@H](N[C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541636582 1012451664 /nfs/dbraw/zinc/45/16/64/1012451664.db2.gz ADKCIHFBRSUYPJ-RDTXWAMCSA-N 0 3 416.591 3.630 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CC1 ZINC000523910645 1012628297 /nfs/dbraw/zinc/62/82/97/1012628297.db2.gz URTSEVNXMJHVOS-GDLZYMKVSA-N 0 3 411.571 3.907 20 30 HHEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1-c1ccc(C)cc1 ZINC000537221172 1012646846 /nfs/dbraw/zinc/64/68/46/1012646846.db2.gz SWLKQNMDDBLMTG-UHFFFAOYSA-N 0 3 416.529 3.957 20 30 HHEDHN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)n1 ZINC000542033184 1012930761 /nfs/dbraw/zinc/93/07/61/1012930761.db2.gz OALKCJZMLDKFOF-UHFFFAOYSA-N 0 3 412.925 3.880 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553032855 1013009850 /nfs/dbraw/zinc/00/98/50/1013009850.db2.gz BGXKIEFQMQXNMC-UGKGYDQZSA-N 0 3 420.532 3.647 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)OC)c1ccsc1 ZINC000537511131 1013024127 /nfs/dbraw/zinc/02/41/27/1013024127.db2.gz JFAKNUWZBCFAID-QGZVFWFLSA-N 0 3 406.577 3.560 20 30 HHEDHN C[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000729686085 1071823228 /nfs/dbraw/zinc/82/32/28/1071823228.db2.gz XIPLZYOWVDNQAK-CYBMUJFWSA-N 0 3 403.276 3.973 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cc(F)c(Br)cc2OCC)CC1 ZINC000555013444 1073066855 /nfs/dbraw/zinc/06/68/55/1073066855.db2.gz RALBLTUMJSPCIA-UHFFFAOYSA-N 0 3 400.292 3.759 20 30 HHEDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000572051044 1073123725 /nfs/dbraw/zinc/12/37/25/1073123725.db2.gz YAYXAZWEXJLGBM-CJMONDIMSA-N 0 3 400.885 3.713 20 30 HHEDHN CC(C)N1CC[C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000555129183 1073180461 /nfs/dbraw/zinc/18/04/61/1073180461.db2.gz KRCRYDMNBFAXIE-IRLDBZIGSA-N 0 3 418.532 3.763 20 30 HHEDHN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@H]4CN(C)C[C@H]43)sc2C1 ZINC000590010634 1073449365 /nfs/dbraw/zinc/44/93/65/1073449365.db2.gz RFPZIQRMBSCZDI-FRQCXROJSA-N 0 3 414.619 3.735 20 30 HHEDHN N#CCc1cccc(S(=O)(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)c1 ZINC000589980344 1073458156 /nfs/dbraw/zinc/45/81/56/1073458156.db2.gz QAIGVCHPSRTFIU-UHFFFAOYSA-N 0 3 404.495 3.511 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cn2ccccc2c1C#N ZINC000591886602 1074617876 /nfs/dbraw/zinc/61/78/76/1074617876.db2.gz PCVZSYZUGFIATP-UHFFFAOYSA-N 0 3 406.559 3.909 20 30 HHEDHN C=CCN1CCC(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)CC1 ZINC000592069185 1074687275 /nfs/dbraw/zinc/68/72/75/1074687275.db2.gz NWFNHAVYHVPNPA-UHFFFAOYSA-N 0 3 401.507 3.828 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Br)cc2Cl)CC1 ZINC000592297035 1074719138 /nfs/dbraw/zinc/71/91/38/1074719138.db2.gz TZPKUXQAKRHVQI-UHFFFAOYSA-N 0 3 400.748 3.942 20 30 HHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cccc(OCC(F)F)n1 ZINC000760965553 1074737996 /nfs/dbraw/zinc/73/79/96/1074737996.db2.gz MFUGFKYHKLKODL-HNNXBMFYSA-N 0 3 401.413 3.811 20 30 HHEDHN COc1ccc(COCCCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000760965281 1074740351 /nfs/dbraw/zinc/74/03/51/1074740351.db2.gz HFNWCQDUQSEXBV-QGZVFWFLSA-N 0 3 400.862 3.993 20 30 HHEDHN COc1ccc(CN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000573988233 1074749322 /nfs/dbraw/zinc/74/93/22/1074749322.db2.gz CFWGQXRKGXXBIA-WPSZSDGUSA-N 0 3 413.562 3.893 20 30 HHEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(OCC(F)F)n1 ZINC000760971061 1074759210 /nfs/dbraw/zinc/75/92/10/1074759210.db2.gz XVAUXATWSBNMRJ-GFCCVEGCSA-N 0 3 414.195 3.993 20 30 HHEDHN Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164759427 721250647 /nfs/dbraw/zinc/25/06/47/721250647.db2.gz AEDHSTPTBNUPLZ-ROUUACIJSA-N 0 3 420.948 3.760 20 30 HHEDHN N#Cc1c[nH]c2nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)ccc12 ZINC001164906231 721710208 /nfs/dbraw/zinc/71/02/08/721710208.db2.gz LKGDRRAQHXXHHT-NRFANRHFSA-N 0 3 408.456 3.567 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000303308879 971618300 /nfs/dbraw/zinc/61/83/00/971618300.db2.gz RNKCTSQKALDMJD-UHFFFAOYSA-N 0 3 400.526 3.979 20 30 HHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537562406 1013095664 /nfs/dbraw/zinc/09/56/64/1013095664.db2.gz SLGYDTQIIGTSND-IEBWSBKVSA-N 0 3 412.582 3.763 20 30 HHEDHN CN(C(=O)CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)C1(C#N)CCCCC1 ZINC000537564253 1013100604 /nfs/dbraw/zinc/10/06/04/1013100604.db2.gz RQRNZOFNLQVOOV-LJQANCHMSA-N 0 3 412.582 3.717 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000303733978 971986653 /nfs/dbraw/zinc/98/66/53/971986653.db2.gz VUCBYVWHFYFRLS-SFHVURJKSA-N 0 3 406.530 3.550 20 30 HHEDHN C#CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)cc1 ZINC000303912274 972485326 /nfs/dbraw/zinc/48/53/26/972485326.db2.gz RJIMLFPHDNKLHI-UHFFFAOYSA-N 0 3 415.331 3.665 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCCN(Cc3ccccc3)CC2)cc1 ZINC000022808723 963720728 /nfs/dbraw/zinc/72/07/28/963720728.db2.gz MHTYOUQFFKCDAM-UHFFFAOYSA-N 0 3 420.557 3.540 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccccc1CC ZINC000052485671 964916042 /nfs/dbraw/zinc/91/60/42/964916042.db2.gz MUSDVHRGYOHADZ-UHFFFAOYSA-N 0 3 413.591 3.786 20 30 HHEDHN COc1cc([C@@H](C)NCCSCc2ccccc2C#N)ccc1S(C)(=O)=O ZINC000537974098 1013551376 /nfs/dbraw/zinc/55/13/76/1013551376.db2.gz NATZLPWAKQPWSV-OAHLLOKOSA-N 0 3 404.557 3.554 20 30 HHEDHN N#Cc1ccc(NC(=O)CCN2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000060090238 966060258 /nfs/dbraw/zinc/06/02/58/966060258.db2.gz ILUUIYJZBUHHMF-NRFANRHFSA-N 0 3 405.502 3.563 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000041167548 966527237 /nfs/dbraw/zinc/52/72/37/966527237.db2.gz ADKRQWPHGUJVIT-NRFANRHFSA-N 0 3 419.573 3.829 20 30 HHEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2c3c(cccc31)CC2)C(C)C ZINC000062205309 966623246 /nfs/dbraw/zinc/62/32/46/966623246.db2.gz DRFLTJZHAIIGSW-JOCHJYFZSA-N 0 3 405.542 3.692 20 30 HHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(C#N)cc1 ZINC000062485247 966687999 /nfs/dbraw/zinc/68/79/99/966687999.db2.gz KWBHGMAFPTXPAE-UHFFFAOYSA-N 0 3 404.436 3.850 20 30 HHEDHN Cc1cc(C)n(Cc2cccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)n1 ZINC000063505812 966878331 /nfs/dbraw/zinc/87/83/31/966878331.db2.gz LPQQWFSPTHATRE-UHFFFAOYSA-N 0 3 415.541 3.624 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H](c3nncn3C3CC3)C1)CCCC2 ZINC000538138353 1013699470 /nfs/dbraw/zinc/69/94/70/1013699470.db2.gz SFTWOEAGLQKSED-OAHLLOKOSA-N 0 3 424.574 3.633 20 30 HHEDHN N#CCCN(C(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccccc1 ZINC000538140701 1013701867 /nfs/dbraw/zinc/70/18/67/1013701867.db2.gz CRFLFDIMHGHJQF-UHFFFAOYSA-N 0 3 405.498 3.764 20 30 HHEDHN N#CC(C(=O)c1ccc(-n2cnnn2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714499 967273896 /nfs/dbraw/zinc/27/38/96/967273896.db2.gz FUXQEILZWCUERU-CYBMUJFWSA-N 0 3 408.393 3.554 20 30 HHEDHN Cc1nc(SCC(=O)NCCCN2CCc3ccccc3C2)c(C#N)c(C)c1C ZINC000046442367 967803632 /nfs/dbraw/zinc/80/36/32/967803632.db2.gz QIXCSEQRUVBHPW-UHFFFAOYSA-N 0 3 408.571 3.535 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc(Br)c1 ZINC000047011561 968031207 /nfs/dbraw/zinc/03/12/07/968031207.db2.gz NMLIEVBJSWOGDO-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN C/C=C/c1ccc(OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000047010522 968031548 /nfs/dbraw/zinc/03/15/48/968031548.db2.gz IWQFRXCVNNLPOQ-AATRIKPKSA-N 0 3 407.514 3.569 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000047950837 968376406 /nfs/dbraw/zinc/37/64/06/968376406.db2.gz QEWYKGYWHSMNON-IBGZPJMESA-N 0 3 414.600 3.989 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccsc2)N(CC)CC)cc1 ZINC000048160225 968462242 /nfs/dbraw/zinc/46/22/42/968462242.db2.gz MGFWUYKMQKYNBZ-IBGZPJMESA-N 0 3 400.548 3.869 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1 ZINC000048160568 968463543 /nfs/dbraw/zinc/46/35/43/968463543.db2.gz YQDCUDYRLAPRIA-UHFFFAOYSA-N 0 3 406.530 3.561 20 30 HHEDHN C=CCC[C@@H](NCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccccc1 ZINC000538259395 1013801291 /nfs/dbraw/zinc/80/12/91/1013801291.db2.gz GMPGHBYOKAXTIZ-FGZHOGPDSA-N 0 3 418.603 3.632 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCOc1ccc(F)cc1F ZINC000065930312 968720620 /nfs/dbraw/zinc/72/06/20/968720620.db2.gz XBAKGDKIODTDQB-UHFFFAOYSA-N 0 3 401.457 3.586 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000065931073 968721842 /nfs/dbraw/zinc/72/18/42/968721842.db2.gz KMQXANPHNZDVSX-UHFFFAOYSA-N 0 3 413.905 3.577 20 30 HHEDHN Cc1nc(SCC(=O)N(CCN(C)C)Cc2ccc(F)cc2)c(C#N)c(C)c1C ZINC000065931708 968721965 /nfs/dbraw/zinc/72/19/65/968721965.db2.gz KIDKZOPDNQTVGZ-UHFFFAOYSA-N 0 3 414.550 3.700 20 30 HHEDHN Cc1cc([C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2CC2)ccc1F ZINC000538322558 1013849022 /nfs/dbraw/zinc/84/90/22/1013849022.db2.gz CHCZZLMCZPKPGE-JOCHJYFZSA-N 0 3 403.461 3.871 20 30 HHEDHN Cc1ccccc1-c1noc(=O)n1CC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000097568631 969163020 /nfs/dbraw/zinc/16/30/20/969163020.db2.gz MZEOIYALAZNCFV-KRWDZBQOSA-N 0 3 416.462 3.812 20 30 HHEDHN N#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1Cl ZINC000108389035 969378950 /nfs/dbraw/zinc/37/89/50/969378950.db2.gz XLWQFEHHQXBGBE-UHFFFAOYSA-N 0 3 403.935 3.676 20 30 HHEDHN CCN1CCN(Cc2ccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2)CC1 ZINC000108598055 969398763 /nfs/dbraw/zinc/39/87/63/969398763.db2.gz HVERGHLQKODOGE-DEOSSOPVSA-N 0 3 420.557 3.738 20 30 HHEDHN CCN1CCN(Cc2ccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cc2)CC1 ZINC000108598051 969398859 /nfs/dbraw/zinc/39/88/59/969398859.db2.gz HVERGHLQKODOGE-XMMPIXPASA-N 0 3 420.557 3.738 20 30 HHEDHN CCCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000109144181 969468803 /nfs/dbraw/zinc/46/88/03/969468803.db2.gz FJWFBEOMNBBXEJ-UHFFFAOYSA-N 0 3 414.594 3.734 20 30 HHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccccc2C)c1C ZINC000113140323 969825139 /nfs/dbraw/zinc/82/51/39/969825139.db2.gz FTDJNAUGWJOABO-QGZVFWFLSA-N 0 3 402.454 3.849 20 30 HHEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CCCCC1 ZINC000195674008 969947895 /nfs/dbraw/zinc/94/78/95/969947895.db2.gz GUECYNPHXYSBQF-IBGZPJMESA-N 0 3 412.578 3.868 20 30 HHEDHN Cc1nc(-c2cccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)no1 ZINC000195687015 969957931 /nfs/dbraw/zinc/95/79/31/969957931.db2.gz AEVLJBBVWPIOHP-UHFFFAOYSA-N 0 3 404.474 3.512 20 30 HHEDHN COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3F)c2)cc1Cl ZINC000138740464 970009185 /nfs/dbraw/zinc/00/91/85/970009185.db2.gz RATZFJRDIIIMHS-AWEZNQCLSA-N 0 3 412.808 3.635 20 30 HHEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(-c3ccccc3F)c2)cc1Cl ZINC000138740464 970009191 /nfs/dbraw/zinc/00/91/91/970009191.db2.gz RATZFJRDIIIMHS-AWEZNQCLSA-N 0 3 412.808 3.635 20 30 HHEDHN CS(=O)(=O)Cc1ccccc1CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237346621 970267820 /nfs/dbraw/zinc/26/78/20/970267820.db2.gz HJUGLXJEMRMEIK-UHFFFAOYSA-N 0 3 420.534 3.972 20 30 HHEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000237496989 970302108 /nfs/dbraw/zinc/30/21/08/970302108.db2.gz BWTHFPCAZZPMGT-SFHVURJKSA-N 0 3 415.497 3.984 20 30 HHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237548050 970311029 /nfs/dbraw/zinc/31/10/29/970311029.db2.gz APBFOHGZPCUCTG-QYZOEREBSA-N 0 3 407.514 3.517 20 30 HHEDHN COc1ccc(CNC(=O)CNC(=N)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000304503411 972602550 /nfs/dbraw/zinc/60/25/50/972602550.db2.gz QDHZKPIMWXUKDQ-UHFFFAOYSA-N 0 3 404.470 3.531 20 30 HHEDHN C[C@@H](NCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(C#N)cc1 ZINC000554844304 1014071899 /nfs/dbraw/zinc/07/18/99/1014071899.db2.gz SWASYBWJBYBWTG-VGSWGCGISA-N 0 3 410.949 3.816 20 30 HHEDHN N#CC1(CCC[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCOCC1 ZINC000410418105 974015818 /nfs/dbraw/zinc/01/58/18/974015818.db2.gz BRVZNBHUFQGIBD-UHFFFAOYSA-N 0 3 405.926 3.797 20 30 HHEDHN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN[C@@H](C)Cn3cccn3)sc2C1 ZINC000427003833 974815956 /nfs/dbraw/zinc/81/59/56/974815956.db2.gz ASZJGHPHGQDCGR-JKSUJKDBSA-N 0 3 413.591 3.974 20 30 HHEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000427928147 975354251 /nfs/dbraw/zinc/35/42/51/975354251.db2.gz KWXKZCDSORQUOC-SFHVURJKSA-N 0 3 404.514 3.627 20 30 HHEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000429314943 976584861 /nfs/dbraw/zinc/58/48/61/976584861.db2.gz ZDQXLDJNWWRCCE-VQTJNVASSA-N 0 3 412.534 3.740 20 30 HHEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)nc1 ZINC000430185813 977378027 /nfs/dbraw/zinc/37/80/27/977378027.db2.gz KHDNDKYKECLOBV-QHCPKHFHSA-N 0 3 422.492 3.854 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1)[C@H]1CCCN(C)C1 ZINC000430588946 977646617 /nfs/dbraw/zinc/64/66/17/977646617.db2.gz BIRZNWZDOWETBU-FQEVSTJZSA-N 0 3 422.554 3.721 20 30 HHEDHN C=CCN1CCC(NC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000431758368 978489382 /nfs/dbraw/zinc/48/93/82/978489382.db2.gz FYRMHGINQPAPGL-UHFFFAOYSA-N 0 3 406.741 3.975 20 30 HHEDHN CC(C)(C)N(CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccc(F)cc1 ZINC000431999001 978638511 /nfs/dbraw/zinc/63/85/11/978638511.db2.gz BEEWEYPXDFHBCH-UHFFFAOYSA-N 0 3 402.495 3.827 20 30 HHEDHN C[C@@H](c1ccccc1)N1CCN(C(=O)CN[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433012486 979041407 /nfs/dbraw/zinc/04/14/07/979041407.db2.gz TWPMRMURKGILQE-URXFXBBRSA-N 0 3 404.558 3.917 20 30 HHEDHN COc1ccccc1-c1noc(C2CCN(CCOc3cccc(C#N)c3)CC2)n1 ZINC000433170579 979114513 /nfs/dbraw/zinc/11/45/13/979114513.db2.gz XWTJNGYXIQVUBZ-UHFFFAOYSA-N 0 3 404.470 3.875 20 30 HHEDHN N#CC(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nnc2n1CCCCC2 ZINC000434622212 980303374 /nfs/dbraw/zinc/30/33/74/980303374.db2.gz BSWSZVKULSWGMA-HNNXBMFYSA-N 0 3 409.396 3.960 20 30 HHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434671686 980331325 /nfs/dbraw/zinc/33/13/25/980331325.db2.gz VNRVEAGUFIMZPH-IBGZPJMESA-N 0 3 405.546 3.734 20 30 HHEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1nc2c(s1)CCCCCC2)C(C)C ZINC000434726374 980360835 /nfs/dbraw/zinc/36/08/35/980360835.db2.gz AYLOVDAKCKJGLA-SFHVURJKSA-N 0 3 418.607 3.555 20 30 HHEDHN Cc1cc(NC(=O)COc2ccccc2C#N)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435265204 980749243 /nfs/dbraw/zinc/74/92/43/980749243.db2.gz FGCVLEUXTFCRLF-NRFANRHFSA-N 0 3 415.497 3.528 20 30 HHEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435375957 980825656 /nfs/dbraw/zinc/82/56/56/980825656.db2.gz XFAXVZHAWNYHTL-NQIIRXRSSA-N 0 3 415.497 3.608 20 30 HHEDHN Cc1cc(NC(=O)CNc2ccc(C#N)cc2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435692973 980989466 /nfs/dbraw/zinc/98/94/66/980989466.db2.gz HQZJLNLIXIIKPY-QFIPXVFZSA-N 0 3 414.513 3.561 20 30 HHEDHN CCn1c(-c2cc(C)oc2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460196385 981971011 /nfs/dbraw/zinc/97/10/11/981971011.db2.gz HCQATKJLMDLPHC-UHFFFAOYSA-N 0 3 404.518 3.759 20 30 HHEDHN C=C(C)COCCNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000460357051 982129815 /nfs/dbraw/zinc/12/98/15/982129815.db2.gz FBEMCSKJBAQMAZ-UHFFFAOYSA-N 0 3 424.383 3.648 20 30 HHEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460383703 982162416 /nfs/dbraw/zinc/16/24/16/982162416.db2.gz CNIBLUBENJMIGZ-UHFFFAOYSA-N 0 3 413.529 3.500 20 30 HHEDHN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000460562796 982348248 /nfs/dbraw/zinc/34/82/48/982348248.db2.gz IGOFFYGDOCJNDM-DHIUTWEWSA-N 0 3 422.621 3.612 20 30 HHEDHN CC(C)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460641019 982415776 /nfs/dbraw/zinc/41/57/76/982415776.db2.gz VOCCRDVLGVCQFG-UHFFFAOYSA-N 0 3 403.534 3.513 20 30 HHEDHN CN(CCNC(=O)C1CCN(CC#Cc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000438313451 982717252 /nfs/dbraw/zinc/71/72/52/982717252.db2.gz FCMYWOQLDURSNW-UHFFFAOYSA-N 0 3 423.988 3.652 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000438445593 982797279 /nfs/dbraw/zinc/79/72/79/982797279.db2.gz QFYBQSOBFAIFMT-MJGOQNOKSA-N 0 3 413.484 3.760 20 30 HHEDHN C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000438659218 982976771 /nfs/dbraw/zinc/97/67/71/982976771.db2.gz XQOIBBSFRGUZMM-SIKLNZKXSA-N 0 3 421.541 3.874 20 30 HHEDHN C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000438659219 982976997 /nfs/dbraw/zinc/97/69/97/982976997.db2.gz XQOIBBSFRGUZMM-UGKGYDQZSA-N 0 3 421.541 3.874 20 30 HHEDHN N#Cc1cccc(NC(=O)CCN2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 ZINC000438693428 983006153 /nfs/dbraw/zinc/00/61/53/983006153.db2.gz FRZQQKYZMZXOCH-NRFANRHFSA-N 0 3 405.502 3.563 20 30 HHEDHN CCCNc1ccc(C#N)cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000461706259 984722611 /nfs/dbraw/zinc/72/26/11/984722611.db2.gz VLDBTMPIYSLYGZ-UHFFFAOYSA-N 0 3 405.546 3.921 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OCc3cccc(C)c3)cc2C)CC1 ZINC000442282337 984788722 /nfs/dbraw/zinc/78/87/22/984788722.db2.gz BPWUDRRMJTTWOE-UHFFFAOYSA-N 0 3 421.541 3.588 20 30 HHEDHN CN1CCN(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1(C)C ZINC000442959549 985302380 /nfs/dbraw/zinc/30/23/80/985302380.db2.gz AICAQJRBMRRUOA-UHFFFAOYSA-N 0 3 422.598 3.606 20 30 HHEDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)ccc1C#N ZINC000443902048 986099849 /nfs/dbraw/zinc/09/98/49/986099849.db2.gz QOPSEVMAQXLRBQ-JTHBVZDNSA-N 0 3 409.555 3.542 20 30 HHEDHN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463207048 986178998 /nfs/dbraw/zinc/17/89/98/986178998.db2.gz YPXHPLCBMPCLTA-NJDAHSKKSA-N 0 3 422.491 3.579 20 30 HHEDHN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000463489397 986464600 /nfs/dbraw/zinc/46/46/00/986464600.db2.gz JHIQLURJVPRRRQ-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000468791083 986502158 /nfs/dbraw/zinc/50/21/58/986502158.db2.gz BYAJXXUOQIEBEG-QGZVFWFLSA-N 0 3 420.488 3.904 20 30 HHEDHN CN1CCN(CCCNC(=O)C[C@@H](CC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000470020302 987630582 /nfs/dbraw/zinc/63/05/82/987630582.db2.gz XNDSMAMVMOSRTG-RPWUZVMVSA-N 0 3 404.558 3.569 20 30 HHEDHN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000470030899 987642781 /nfs/dbraw/zinc/64/27/81/987642781.db2.gz RPOYYQYKTAOLKN-DNQXCXABSA-N 0 3 420.557 3.860 20 30 HHEDHN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000470030898 987642888 /nfs/dbraw/zinc/64/28/88/987642888.db2.gz RPOYYQYKTAOLKN-BJKOFHAPSA-N 0 3 420.557 3.860 20 30 HHEDHN COC(=O)c1cc(Br)cc(C(=O)C(C#N)c2nc3ccccc3n2C)c1 ZINC000464194350 988314683 /nfs/dbraw/zinc/31/46/83/988314683.db2.gz RVHZPOBJDZCXLV-CQSZACIVSA-N 0 3 412.243 3.612 20 30 HHEDHN CN(C)CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CCCC1 ZINC000470548476 988559407 /nfs/dbraw/zinc/55/94/07/988559407.db2.gz WVRNZQPFFPCHKP-UHFFFAOYSA-N 0 3 411.550 3.608 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C(=O)OC)c(F)c1 ZINC000464783142 989012166 /nfs/dbraw/zinc/01/21/66/989012166.db2.gz GPMWUXPLDIEUJC-UHFFFAOYSA-N 0 3 418.538 3.711 20 30 HHEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000464977361 989278631 /nfs/dbraw/zinc/27/86/31/989278631.db2.gz AIDLXLDWHKUXRC-JOCHJYFZSA-N 0 3 407.514 3.842 20 30 HHEDHN CC1CCN([C@H](CNC(=O)NCCOc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000465425900 989770462 /nfs/dbraw/zinc/77/04/62/989770462.db2.gz CDOTUXVCVSKPHY-HXUWFJFHSA-N 0 3 412.559 3.771 20 30 HHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000465534378 989897102 /nfs/dbraw/zinc/89/71/02/989897102.db2.gz QEEZNQCIRPSEHT-RPWUZVMVSA-N 0 3 402.542 3.916 20 30 HHEDHN CO[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000466352225 991616543 /nfs/dbraw/zinc/61/65/43/991616543.db2.gz JTPWPFOYHBGMHM-OAQYLSRUSA-N 0 3 414.937 3.673 20 30 HHEDHN C[C@H]1C[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000466522588 991816261 /nfs/dbraw/zinc/81/62/61/991816261.db2.gz NLRWJGIAKLTJCP-UGKGYDQZSA-N 0 3 418.541 3.774 20 30 HHEDHN CN1CCC(N(Cc2ccccc2)C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466604497 991921055 /nfs/dbraw/zinc/92/10/55/991921055.db2.gz OXPMAXUYXUDPEN-UHFFFAOYSA-N 0 3 407.518 3.892 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1c(F)cccc1OC(F)F ZINC000466755447 992064150 /nfs/dbraw/zinc/06/41/50/992064150.db2.gz RKKUSMRFKJCRJD-UHFFFAOYSA-N 0 3 420.435 3.572 20 30 HHEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000466932809 992244232 /nfs/dbraw/zinc/24/42/32/992244232.db2.gz CXORULRFKSOXKC-UGSOOPFHSA-N 0 3 410.331 3.769 20 30 HHEDHN CCN(C(=O)CCN1CCN(c2cccc(C)c2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000467295587 992621303 /nfs/dbraw/zinc/62/13/03/992621303.db2.gz RFSRNJVJDVAAHK-NRFANRHFSA-N 0 3 404.558 3.989 20 30 HHEDHN C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000467632207 992895569 /nfs/dbraw/zinc/89/55/69/992895569.db2.gz CSBGOKSUIZSJMU-UHFFFAOYSA-N 0 3 410.514 3.717 20 30 HHEDHN CC(C)(C)C(=O)N1CCC(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000480790543 993659117 /nfs/dbraw/zinc/65/91/17/993659117.db2.gz OWMZQDJKHRBMQU-UHFFFAOYSA-N 0 3 419.573 3.513 20 30 HHEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000472893684 993819778 /nfs/dbraw/zinc/81/97/78/993819778.db2.gz CHFFBRKUNMDNTK-PMACEKPBSA-N 0 3 419.573 3.611 20 30 HHEDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000481064297 993904840 /nfs/dbraw/zinc/90/48/40/993904840.db2.gz UTOVHZUDSHABIH-UTKZUKDTSA-N 0 3 415.534 3.512 20 30 HHEDHN N#Cc1c(NC(=O)CCN2CC[C@]3(C2)OCc2ccccc23)sc2c1CCCC2 ZINC000473175225 994042303 /nfs/dbraw/zinc/04/23/03/994042303.db2.gz SKLKKYYFEWGUKS-HSZRJFAPSA-N 0 3 407.539 3.959 20 30 HHEDHN COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CCCCc4cc(C#N)ccc43)C2=O)c1 ZINC000481667736 994527497 /nfs/dbraw/zinc/52/74/97/994527497.db2.gz HJUVMRHUTFIGFH-PKTZIBPZSA-N 0 3 405.498 3.738 20 30 HHEDHN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc(N2CCN(C(C)C)CC2)c1 ZINC000481668696 994528899 /nfs/dbraw/zinc/52/88/99/994528899.db2.gz UDQUJTDWDSKETB-IBGZPJMESA-N 0 3 406.530 3.803 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000482401610 995387787 /nfs/dbraw/zinc/38/77/87/995387787.db2.gz QTQXTWCEPFAYLH-OAHLLOKOSA-N 0 3 407.383 3.841 20 30 HHEDHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482495149 995505601 /nfs/dbraw/zinc/50/56/01/995505601.db2.gz MTBYOFSOTIBMTK-FYYLOGMGSA-N 0 3 408.498 3.680 20 30 HHEDHN N#CC1(NC(=O)c2ccc(Nc3ccncc3)cc2)CCN(Cc2ccccc2)CC1 ZINC000482610699 995608522 /nfs/dbraw/zinc/60/85/22/995608522.db2.gz WILLSJXBIYNHND-UHFFFAOYSA-N 0 3 411.509 3.535 20 30 HHEDHN CCN1CCN(Cc2ccc(CNC(=O)C[C@@H](CC#N)c3ccccc3)cc2)CC1 ZINC000474906362 995792424 /nfs/dbraw/zinc/79/24/24/995792424.db2.gz OHLWQWMEOOTIJU-XMMPIXPASA-N 0 3 404.558 3.528 20 30 HHEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482893398 995823405 /nfs/dbraw/zinc/82/34/05/995823405.db2.gz ZTSKJDJNJNDVMQ-PBHICJAKSA-N 0 3 419.497 3.560 20 30 HHEDHN CC(C)C[C@](C)(NCC(=O)N(CCC#N)CCC#N)c1cccc(Br)c1 ZINC000483043425 995937362 /nfs/dbraw/zinc/93/73/62/995937362.db2.gz RGPWQHHAHIXASL-FQEVSTJZSA-N 0 3 419.367 3.956 20 30 HHEDHN Cc1cc(N(CCC#N)C(=O)CN2CCN(C3CCCCC3)CC2)ccc1Cl ZINC000483500691 996220673 /nfs/dbraw/zinc/22/06/73/996220673.db2.gz PWPDCDMXMAKANW-UHFFFAOYSA-N 0 3 402.970 3.845 20 30 HHEDHN N#Cc1ccc(CNC[C@H]2CCCN2Cc2ccc(I)cc2)o1 ZINC000475635834 996266585 /nfs/dbraw/zinc/26/65/85/996266585.db2.gz SBGHOFTTWDUPFZ-MRXNPFEDSA-N 0 3 421.282 3.510 20 30 HHEDHN N#CC[C@H](CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000475919340 996471716 /nfs/dbraw/zinc/47/17/16/996471716.db2.gz VXAAONIQAYZLDA-OAQYLSRUSA-N 0 3 404.514 3.538 20 30 HHEDHN N#CC[C@@H](CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)c1ccccc1 ZINC000476099091 996594816 /nfs/dbraw/zinc/59/48/16/996594816.db2.gz ZCEXLCPXXBQWLU-FQEVSTJZSA-N 0 3 409.505 3.873 20 30 HHEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476315518 996752016 /nfs/dbraw/zinc/75/20/16/996752016.db2.gz SZXCUCDWBXOBRK-OAQYLSRUSA-N 0 3 403.592 3.634 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000477047923 997685443 /nfs/dbraw/zinc/68/54/43/997685443.db2.gz JLMSXGWVVOWHCH-GOSISDBHSA-N 0 3 410.331 3.989 20 30 HHEDHN COc1ccc(CCC(=O)N2CCCN(CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000477137197 997794064 /nfs/dbraw/zinc/79/40/64/997794064.db2.gz LNICCOCUHIJHAN-UHFFFAOYSA-N 0 3 421.541 3.503 20 30 HHEDHN CN(C)C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000477862320 998613332 /nfs/dbraw/zinc/61/33/32/998613332.db2.gz YKIAQPGJGGKHSM-IBGZPJMESA-N 0 3 407.411 3.798 20 30 HHEDHN CN1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000478369222 998921054 /nfs/dbraw/zinc/92/10/54/998921054.db2.gz JEYNXKPKDAUWOB-JWQCQUIFSA-N 0 3 411.505 3.965 20 30 HHEDHN COc1ccccc1C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)C ZINC000478386836 998930688 /nfs/dbraw/zinc/93/06/88/998930688.db2.gz WIWHLRQVSOTDJF-HSZRJFAPSA-N 0 3 422.573 3.907 20 30 HHEDHN CN(C)[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)Cc1ccccc1 ZINC000487900111 999309668 /nfs/dbraw/zinc/30/96/68/999309668.db2.gz SIUUVIJZVISLSI-KRWDZBQOSA-N 0 3 401.308 3.615 20 30 HHEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccco1 ZINC000480270202 999760352 /nfs/dbraw/zinc/76/03/52/999760352.db2.gz MXSLIZNTGCGNGZ-RHSMWYFYSA-N 0 3 410.453 3.727 20 30 HHEDHN COCCN(Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)[C@H]1CCO[C@@H]1C ZINC000489409400 999760994 /nfs/dbraw/zinc/76/09/94/999760994.db2.gz GLPAABLSDZLSTN-GCJKJVERSA-N 0 3 410.514 3.772 20 30 HHEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000489811153 999842518 /nfs/dbraw/zinc/84/25/18/999842518.db2.gz YBBSEYBSNXLRFJ-UHFFFAOYSA-N 0 3 420.557 3.637 20 30 HHEDHN Cc1ccc([C@@H]2C[C@H](C)N(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)cc1 ZINC000490058058 999886820 /nfs/dbraw/zinc/88/68/20/999886820.db2.gz FKUHJIHVWJFUJX-KSEOMHKRSA-N 0 3 422.598 3.643 20 30 HHEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[C@H]2C1 ZINC000490402185 999951907 /nfs/dbraw/zinc/95/19/07/999951907.db2.gz PIEUAKUBNNMYRD-CVDCTZTESA-N 0 3 404.514 3.890 20 30 HHEDHN N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CC2)cc1 ZINC000505131436 1000567356 /nfs/dbraw/zinc/56/73/56/1000567356.db2.gz RTZZPAASEOWGIH-NRFANRHFSA-N 0 3 421.516 3.979 20 30 HHEDHN C[C@H](C1CC1)N(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000494787049 1000656109 /nfs/dbraw/zinc/65/61/09/1000656109.db2.gz YFUODYLKURIGME-APWZRJJASA-N 0 3 410.562 3.619 20 30 HHEDHN N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CC2)c(F)c1 ZINC000505308810 1000690330 /nfs/dbraw/zinc/69/03/30/1000690330.db2.gz VBUPVMXWGMYZIF-QFIPXVFZSA-N 0 3 420.532 3.695 20 30 HHEDHN CC[C@](C)(C#N)C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000505337630 1000710893 /nfs/dbraw/zinc/71/08/93/1000710893.db2.gz KOWYRUPOZGTQDS-HXUWFJFHSA-N 0 3 410.484 3.664 20 30 HHEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494884663 1000711329 /nfs/dbraw/zinc/71/13/29/1000711329.db2.gz BOTBAWYGPJHXCC-MSOLQXFVSA-N 0 3 400.567 3.724 20 30 HHEDHN N#CC(C(=O)Nc1ccc2c(c1)C(=O)NC2=O)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000505439213 1000773907 /nfs/dbraw/zinc/77/39/07/1000773907.db2.gz VUNDYRVTZNXQTC-HNNXBMFYSA-N 0 3 422.853 3.593 20 30 HHEDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000495653923 1001057752 /nfs/dbraw/zinc/05/77/52/1001057752.db2.gz IWHMPRVKDUZQIZ-IBGZPJMESA-N 0 3 422.598 3.713 20 30 HHEDHN COc1ccc(CN2CCC[C@@H](c3nnc4ccccn43)C2)cc1OCCCC#N ZINC000506138361 1001243082 /nfs/dbraw/zinc/24/30/82/1001243082.db2.gz RLCKCPODSPZBPG-LJQANCHMSA-N 0 3 405.502 3.800 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000496934604 1001251176 /nfs/dbraw/zinc/25/11/76/1001251176.db2.gz RDDMSYDWFYPRSB-UHFFFAOYSA-N 0 3 402.502 3.554 20 30 HHEDHN Cc1cc(NC(=O)N2CCC(C)(C#N)CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000506745085 1001511536 /nfs/dbraw/zinc/51/15/36/1001511536.db2.gz UXEKRXNLJSTFTQ-HXUWFJFHSA-N 0 3 406.534 3.796 20 30 HHEDHN CCC(CC)[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000498388464 1001817884 /nfs/dbraw/zinc/81/78/84/1001817884.db2.gz DWMONQJFBXTRMI-FGZHOGPDSA-N 0 3 400.567 3.615 20 30 HHEDHN CCCN(CC(=O)Nc1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507595539 1002202696 /nfs/dbraw/zinc/20/26/96/1002202696.db2.gz HCDXZAJEVVNHQT-UHFFFAOYSA-N 0 3 404.514 3.514 20 30 HHEDHN C=CCc1cc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000507833271 1002375985 /nfs/dbraw/zinc/37/59/85/1002375985.db2.gz KVNAORVWNZVXPO-GHTZIAJQSA-N 0 3 400.906 3.844 20 30 HHEDHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000508090675 1002614223 /nfs/dbraw/zinc/61/42/23/1002614223.db2.gz YGQONELPTHHMNG-UHFFFAOYSA-N 0 3 422.577 3.574 20 30 HHEDHN C=CCN1CC[C@H](NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)C1=O ZINC000499548724 1002931026 /nfs/dbraw/zinc/93/10/26/1002931026.db2.gz MCQMVAKSURIEKR-QHCPKHFHSA-N 0 3 406.526 3.648 20 30 HHEDHN Cc1ccc([C@@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)N(C)C)cc1 ZINC000508706307 1003143956 /nfs/dbraw/zinc/14/39/56/1003143956.db2.gz JQZPZSRYUMIFRV-HSZRJFAPSA-N 0 3 408.521 3.641 20 30 HHEDHN C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508793442 1003221931 /nfs/dbraw/zinc/22/19/31/1003221931.db2.gz HUBXHUJDXUVGCB-KRWDZBQOSA-N 0 3 401.580 3.541 20 30 HHEDHN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000508834445 1003256158 /nfs/dbraw/zinc/25/61/58/1003256158.db2.gz UQQKUUSTBJLZJY-HNNXBMFYSA-N 0 3 422.360 3.596 20 30 HHEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)c1 ZINC000508915193 1003354333 /nfs/dbraw/zinc/35/43/33/1003354333.db2.gz VIYWLAZTCHIVQF-DEOSSOPVSA-N 0 3 419.525 3.967 20 30 HHEDHN N#Cc1cc(F)cc(C2(C(=O)N3CCCN(CCCc4ccccc4)CC3)CC2)c1 ZINC000509212887 1003628051 /nfs/dbraw/zinc/62/80/51/1003628051.db2.gz RXDSSHCUGYGIOS-UHFFFAOYSA-N 0 3 405.517 3.896 20 30 HHEDHN Cc1nc(SCC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c(C#N)c(C)c1C ZINC000509506877 1003910913 /nfs/dbraw/zinc/91/09/13/1003910913.db2.gz KCVYICOZXQMWKF-UYAOXDASSA-N 0 3 408.571 3.922 20 30 HHEDHN CC[C@H](C)N[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccco1 ZINC000509553512 1003941359 /nfs/dbraw/zinc/94/13/59/1003941359.db2.gz HQJSQUPEJNHPSF-AZUAARDMSA-N 0 3 409.534 3.502 20 30 HHEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000512346264 1004234014 /nfs/dbraw/zinc/23/40/14/1004234014.db2.gz LVIIBRIXTFJFRF-GOTSBHOMSA-N 0 3 402.498 3.973 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510099395 1004323323 /nfs/dbraw/zinc/32/33/23/1004323323.db2.gz OLTYBZMKNKGTEW-LAUBAEHRSA-N 0 3 420.557 3.625 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510099395 1004323334 /nfs/dbraw/zinc/32/33/34/1004323334.db2.gz OLTYBZMKNKGTEW-LAUBAEHRSA-N 0 3 420.557 3.625 20 30 HHEDHN C=CCn1c(SC[C@H](O)CN2CCc3ccccc3C2)nnc1-c1cccc(C)c1 ZINC000512493269 1004341652 /nfs/dbraw/zinc/34/16/52/1004341652.db2.gz GKBONIIUQCFOGV-JOCHJYFZSA-N 0 3 420.582 3.951 20 30 HHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000512511797 1004352019 /nfs/dbraw/zinc/35/20/19/1004352019.db2.gz LWRLFNIZESDBTJ-ZJSXRUAMSA-N 0 3 423.605 3.621 20 30 HHEDHN C=CCOc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC ZINC000512590386 1004406003 /nfs/dbraw/zinc/40/60/03/1004406003.db2.gz MTZJVVHAYWBIKD-UHFFFAOYSA-N 0 3 405.498 3.982 20 30 HHEDHN N#Cc1cccc(NC(=O)CCN[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000501503210 1004472359 /nfs/dbraw/zinc/47/23/59/1004472359.db2.gz NQVVSVQCVQSLIH-QGZVFWFLSA-N 0 3 400.276 3.763 20 30 HHEDHN C[C@@]1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCCN1Cc1ccccc1 ZINC000501605970 1004547535 /nfs/dbraw/zinc/54/75/35/1004547535.db2.gz LAWACWVXRFJXIW-FQEVSTJZSA-N 0 3 402.420 3.757 20 30 HHEDHN COc1ccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc1OCCCC#N ZINC000510425615 1004558247 /nfs/dbraw/zinc/55/82/47/1004558247.db2.gz CEZMZOAOUMTPQB-UHFFFAOYSA-N 0 3 413.562 3.848 20 30 HHEDHN CCCC(=O)Nc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000510660505 1004785250 /nfs/dbraw/zinc/78/52/50/1004785250.db2.gz ZJVQODRZVCWBIM-UHFFFAOYSA-N 0 3 407.518 3.893 20 30 HHEDHN C=CCOc1cccc(CNCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 ZINC000513125880 1004820825 /nfs/dbraw/zinc/82/08/25/1004820825.db2.gz LDVRTEFKRRSNQZ-LJQANCHMSA-N 0 3 414.571 3.962 20 30 HHEDHN CC(C)c1ccccc1OC[C@@H](O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000501972060 1004838703 /nfs/dbraw/zinc/83/87/03/1004838703.db2.gz TWKKABCLLCHRRB-QFIPXVFZSA-N 0 3 421.541 3.772 20 30 HHEDHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCC(=O)N(CCC#N)c1ccccc1 ZINC000502214676 1004961525 /nfs/dbraw/zinc/96/15/25/1004961525.db2.gz BDPHFCJJXGVZNM-UHFFFAOYSA-N 0 3 420.435 3.794 20 30 HHEDHN C=CCN(Cc1cccs1)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000502379758 1005046479 /nfs/dbraw/zinc/04/64/79/1005046479.db2.gz XRZFZTGEWXOCBT-UHFFFAOYSA-N 0 3 412.603 3.654 20 30 HHEDHN C=CCN(Cc1ccccc1)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000502408554 1005062771 /nfs/dbraw/zinc/06/27/71/1005062771.db2.gz UWHKPUTWKXTRMV-XMMPIXPASA-N 0 3 406.574 3.763 20 30 HHEDHN COc1cc(NC(=O)CCN2CC=C(c3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000502518172 1005098866 /nfs/dbraw/zinc/09/88/66/1005098866.db2.gz UEEHODGKIVHHSN-UHFFFAOYSA-N 0 3 421.497 3.702 20 30 HHEDHN CC(C)[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(F)cc1 ZINC000502564537 1005120729 /nfs/dbraw/zinc/12/07/29/1005120729.db2.gz VRWJDVQALQOOEY-SIKLNZKXSA-N 0 3 414.550 3.583 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](N[C@@]3(Cc4ccc(Cl)cc4)CCOC3)C2=O)cc1 ZINC000502602566 1005135515 /nfs/dbraw/zinc/13/55/15/1005135515.db2.gz SRSNRMBERVGKHU-JTHBVZDNSA-N 0 3 409.917 3.698 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](N[C@]3(Cc4ccc(Cl)cc4)CCOC3)C2=O)cc1 ZINC000502602564 1005135661 /nfs/dbraw/zinc/13/56/61/1005135661.db2.gz SRSNRMBERVGKHU-GMAHTHKFSA-N 0 3 409.917 3.698 20 30 HHEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503451580 1005424567 /nfs/dbraw/zinc/42/45/67/1005424567.db2.gz BNSUOMFYAXXUSH-UHFFFAOYSA-N 0 3 405.951 3.744 20 30 HHEDHN CN(C)Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)CCCC#N)cc3)n2)cc1 ZINC000531348662 1006140074 /nfs/dbraw/zinc/14/00/74/1006140074.db2.gz OUGDEQYOXJAIKB-UHFFFAOYSA-N 0 3 410.499 3.543 20 30 HHEDHN CC[NH+](CC)CCN(Cc1cccs1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000532103473 1006637009 /nfs/dbraw/zinc/63/70/09/1006637009.db2.gz RSYGFOIZAKORPN-UHFFFAOYSA-N 0 3 414.575 3.640 20 30 HHEDHN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000538390562 1006660593 /nfs/dbraw/zinc/66/05/93/1006660593.db2.gz BTRPGIYMQBZXMR-UZUQRXQVSA-N 0 3 405.498 3.834 20 30 HHEDHN C=CCC[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538391495 1006661299 /nfs/dbraw/zinc/66/12/99/1006661299.db2.gz GGIHVWXUBJFYEM-RPWUZVMVSA-N 0 3 420.532 3.832 20 30 HHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cc4c(cc3OC(F)F)OCO4)C2)c(F)c1 ZINC000538405178 1006673428 /nfs/dbraw/zinc/67/34/28/1006673428.db2.gz YTWKXGIJBQCUBK-OAHLLOKOSA-N 0 3 419.403 3.786 20 30 HHEDHN COC(=O)c1cccc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1C#N ZINC000538665162 1006945993 /nfs/dbraw/zinc/94/59/93/1006945993.db2.gz XKNNVOYFMJJFTG-SFHVURJKSA-N 0 3 407.518 3.890 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000516994173 1007362998 /nfs/dbraw/zinc/36/29/98/1007362998.db2.gz FPSOFEKHKYMOPG-OAQYLSRUSA-N 0 3 408.502 3.542 20 30 HHEDHN Cc1ccccc1[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C ZINC000539490956 1007802512 /nfs/dbraw/zinc/80/25/12/1007802512.db2.gz JDFNBENSMHJXBX-REWPJTCUSA-N 0 3 410.587 3.752 20 30 HHEDHN C[C@H](NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000539508123 1007817702 /nfs/dbraw/zinc/81/77/02/1007817702.db2.gz LJHAQWGEGPSXMI-IBGZPJMESA-N 0 3 411.571 3.971 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)N(C)C)cc1 ZINC000517743758 1007942451 /nfs/dbraw/zinc/94/24/51/1007942451.db2.gz JCSJTUVIPICTOL-DEOSSOPVSA-N 0 3 419.573 3.645 20 30 HHEDHN CN(C)CCn1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1=O ZINC000535983550 1008024100 /nfs/dbraw/zinc/02/41/00/1008024100.db2.gz MAKAMTMHEPWRIM-UHFFFAOYSA-N 0 3 416.481 3.521 20 30 HHEDHN C=CCN(Cc1ccc(Oc2cnccn2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831185 1008124094 /nfs/dbraw/zinc/12/40/94/1008124094.db2.gz AXEJBJYURMNIQH-SFHVURJKSA-N 0 3 413.485 3.994 20 30 HHEDHN CN(C)[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)Cc1ccccc1 ZINC000533809619 1008127867 /nfs/dbraw/zinc/12/78/67/1008127867.db2.gz ZJPSJKAITVZVSA-FQEVSTJZSA-N 0 3 419.554 3.900 20 30 HHEDHN C=CCN1CCC(NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)CC1 ZINC000518241861 1008222434 /nfs/dbraw/zinc/22/24/34/1008222434.db2.gz JAJYIVDEEZYQTQ-UHFFFAOYSA-N 0 3 404.514 3.602 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(OC2CCCCC2)c1 ZINC000540104437 1008290285 /nfs/dbraw/zinc/29/02/85/1008290285.db2.gz WXAGBSIUGQOHGX-UHFFFAOYSA-N 0 3 406.530 3.869 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000518496175 1008328231 /nfs/dbraw/zinc/32/82/31/1008328231.db2.gz MHFQSHCNDARPCT-UHFFFAOYSA-N 0 3 403.324 3.610 20 30 HHEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000518751263 1008413943 /nfs/dbraw/zinc/41/39/43/1008413943.db2.gz MIXHVWXYFLCBQR-QZTJIDSGSA-N 0 3 420.513 3.526 20 30 HHEDHN COC[C@H](NCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccccc1 ZINC000540409120 1008420729 /nfs/dbraw/zinc/42/07/29/1008420729.db2.gz XIMSYXCYDAIWHE-QFIPXVFZSA-N 0 3 420.513 3.924 20 30 HHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549037935 1008605793 /nfs/dbraw/zinc/60/57/93/1008605793.db2.gz XFFMTHCTVVHFFX-QFIXIFRTSA-N 0 3 408.949 3.601 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000519271058 1008679920 /nfs/dbraw/zinc/67/99/20/1008679920.db2.gz LCIXDSMYBNXHIC-UHFFFAOYSA-N 0 3 416.525 3.928 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000543352658 1008940600 /nfs/dbraw/zinc/94/06/00/1008940600.db2.gz USYSAVYXWKJVMQ-IBGZPJMESA-N 0 3 414.598 3.782 20 30 HHEDHN C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000519783693 1009004650 /nfs/dbraw/zinc/00/46/50/1009004650.db2.gz AOUHSSFVPODRCG-QAPCUYQASA-N 0 3 401.942 3.930 20 30 HHEDHN CC(C)C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccs1 ZINC000543487191 1009076628 /nfs/dbraw/zinc/07/66/28/1009076628.db2.gz YDOMZBVBSNWMGO-QZTJIDSGSA-N 0 3 416.616 3.895 20 30 HHEDHN N#CC(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21)c1ccncn1 ZINC000546152251 1009182895 /nfs/dbraw/zinc/18/28/95/1009182895.db2.gz HEONKKOAQSYWHD-SFHVURJKSA-N 0 3 408.417 3.953 20 30 HHEDHN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000549675295 1009307073 /nfs/dbraw/zinc/30/70/73/1009307073.db2.gz GJSSBIUBSSQCHJ-HSZRJFAPSA-N 0 3 423.605 3.945 20 30 HHEDHN N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC2)c1 ZINC000520546538 1009631473 /nfs/dbraw/zinc/63/14/73/1009631473.db2.gz KZFVZCXKBNTXKI-OAQYLSRUSA-N 0 3 421.516 3.979 20 30 HHEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C[C@@H]1CC=CCC1 ZINC000544106514 1009716794 /nfs/dbraw/zinc/71/67/94/1009716794.db2.gz OGXYTXRBFOAYOZ-RTBURBONSA-N 0 3 410.562 3.644 20 30 HHEDHN CS[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@@H]1N(C)C ZINC000546843697 1009802082 /nfs/dbraw/zinc/80/20/82/1009802082.db2.gz BCGITNWHQXTESE-VXKWHMMOSA-N 0 3 424.570 3.955 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000544335995 1009960305 /nfs/dbraw/zinc/96/03/05/1009960305.db2.gz LGDXOSJQVKOSNL-IBGZPJMESA-N 0 3 411.477 3.573 20 30 HHEDHN CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544848653 1010433223 /nfs/dbraw/zinc/43/32/23/1010433223.db2.gz CXUZYRMXPBTWAD-QFIPXVFZSA-N 0 3 421.541 3.849 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719018 1011369458 /nfs/dbraw/zinc/36/94/58/1011369458.db2.gz PMUQXDIJCJHLAG-LEWJYISDSA-N 0 3 422.976 3.953 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719026 1011370290 /nfs/dbraw/zinc/37/02/90/1011370290.db2.gz PMUQXDIJCJHLAG-RTWAWAEBSA-N 0 3 422.976 3.953 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC[C@H]2C2CCOCC2)c1C#N ZINC000540826434 1011490007 /nfs/dbraw/zinc/49/00/07/1011490007.db2.gz GEJYZALNKXEBRC-QFIPXVFZSA-N 0 3 424.520 3.934 20 30 HHEDHN CC(C)S(=O)(=O)Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000540973097 1011608895 /nfs/dbraw/zinc/60/88/95/1011608895.db2.gz WAPMRPGDTFLIFW-UHFFFAOYSA-N 0 3 411.571 3.958 20 30 HHEDHN C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CN1Cc1ccccc1 ZINC000540979641 1011612065 /nfs/dbraw/zinc/61/20/65/1011612065.db2.gz JKDDIYJWVLIMQD-WMZOPIPTSA-N 0 3 418.476 3.668 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129163 1011787822 /nfs/dbraw/zinc/78/78/22/1011787822.db2.gz UMWDXBZBUJMJBL-ZWKOTPCHSA-N 0 3 409.452 3.707 20 30 HHEDHN N#CCCn1cc(CN2CCCN(c3ccc(F)c(F)c3)CC2)c(-c2ccncc2)n1 ZINC000551833908 1011991438 /nfs/dbraw/zinc/99/14/38/1011991438.db2.gz HVUKYEIANAWVIM-UHFFFAOYSA-N 0 3 422.483 3.849 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN[C@@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000541380436 1012098326 /nfs/dbraw/zinc/09/83/26/1012098326.db2.gz LCPUKQGSIPUFPH-GGAORHGYSA-N 0 3 410.493 3.591 20 30 HHEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000552145602 1012166947 /nfs/dbraw/zinc/16/69/47/1012166947.db2.gz VYXBOISMHUQQOY-JXFKEZNVSA-N 0 3 409.313 3.512 20 30 HHEDHN COc1ccc(S(=O)(=O)Nc2cccc(CNCc3ccc(C#N)cc3)c2)cc1 ZINC000523734672 1012353676 /nfs/dbraw/zinc/35/36/76/1012353676.db2.gz BQKOQYKKGCXDAW-UHFFFAOYSA-N 0 3 407.495 3.657 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000541575315 1012365616 /nfs/dbraw/zinc/36/56/16/1012365616.db2.gz XJFNBSYMGNHVNA-UHFFFAOYSA-N 0 3 422.529 3.954 20 30 HHEDHN Cc1cccc([C@H]2CCCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000537162179 1012562401 /nfs/dbraw/zinc/56/24/01/1012562401.db2.gz OEFMGNJXZMBHCS-NHCUHLMSSA-N 0 3 408.571 3.603 20 30 HHEDHN CC(C)C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537287649 1012744309 /nfs/dbraw/zinc/74/43/09/1012744309.db2.gz GMJMHYCOEXUKPY-NHCUHLMSSA-N 0 3 410.587 3.834 20 30 HHEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537369571 1012841612 /nfs/dbraw/zinc/84/16/12/1012841612.db2.gz SZQJHOBFHCHGBG-RBUKOAKNSA-N 0 3 406.452 3.929 20 30 HHEDHN CN(C)CCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C1CCCC1 ZINC000542026753 1012922185 /nfs/dbraw/zinc/92/21/85/1012922185.db2.gz VITADARNQLFJLL-UHFFFAOYSA-N 0 3 400.914 3.735 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000524211488 1013018288 /nfs/dbraw/zinc/01/82/88/1013018288.db2.gz LHJXWNQHAMAZHX-DHIUTWEWSA-N 0 3 406.530 3.552 20 30 HHEDHN Cc1cccc2nc(C3CCN(C[C@H](O)COc4ccc(CC#N)cc4)CC3)oc21 ZINC000614925922 1071989001 /nfs/dbraw/zinc/98/90/01/1071989001.db2.gz RQYPMEZYQZCJNG-FQEVSTJZSA-N 0 3 405.498 3.822 20 30 HHEDHN N#Cc1cc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cnc1C(F)(F)F ZINC000590211983 1073684666 /nfs/dbraw/zinc/68/46/66/1073684666.db2.gz GQEMTVJVTGRVCD-SFHVURJKSA-N 0 3 402.420 3.929 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)CC1 ZINC000592075648 1074687841 /nfs/dbraw/zinc/68/78/41/1074687841.db2.gz RMQITVMIVLLNKF-UHFFFAOYSA-N 0 3 418.541 3.992 20 30 HHEDHN Oc1ccc(Br)cc1/C=N/C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000760977987 1074770231 /nfs/dbraw/zinc/77/02/31/1074770231.db2.gz FUDFJPSNBQWTDI-VVJWVBNBSA-N 0 3 403.320 3.865 20 30 HHEDHN C=CCN1CCC(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000592495426 1074771495 /nfs/dbraw/zinc/77/14/95/1074771495.db2.gz VEROUSMANZNRSN-RYUDHWBXSA-N 0 3 401.395 3.846 20 30 HHEDHN N#C[C@H](c1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nn1)c1ccccc1F ZINC001164723963 720405779 /nfs/dbraw/zinc/40/57/79/720405779.db2.gz IIPODJCCRVCVJE-PMOQBDJRSA-N 0 3 414.488 3.519 20 30 HHEDHN Cc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164897842 721513487 /nfs/dbraw/zinc/51/34/87/721513487.db2.gz GNZKIZBDXJVBIU-AEFFLSMTSA-N 0 3 400.885 3.705 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000537534215 1013049861 /nfs/dbraw/zinc/04/98/61/1013049861.db2.gz CWEYOLPFWLIMRW-UHFFFAOYSA-N 0 3 411.456 3.587 20 30 HHEDHN N#Cc1cnc2ccccc2c1N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000301407551 970913320 /nfs/dbraw/zinc/91/33/20/970913320.db2.gz MTWSVZBWIGDSLM-FQEVSTJZSA-N 0 3 412.541 3.540 20 30 HHEDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000524255921 1013066983 /nfs/dbraw/zinc/06/69/83/1013066983.db2.gz GIMDYQLNYBVCCK-UHFFFAOYSA-N 0 3 423.513 3.696 20 30 HHEDHN N#Cc1ccc(OC[C@H](O)CN(CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000302944341 971409871 /nfs/dbraw/zinc/40/98/71/971409871.db2.gz BVYGRELYXVOOPC-HSZRJFAPSA-N 0 3 405.473 3.577 20 30 HHEDHN N#Cc1ccc(OC[C@@H](O)CN(CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000302944344 971410223 /nfs/dbraw/zinc/41/02/23/971410223.db2.gz BVYGRELYXVOOPC-QHCPKHFHSA-N 0 3 405.473 3.577 20 30 HHEDHN C=CCN1CCC(NC(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000303281402 971596574 /nfs/dbraw/zinc/59/65/74/971596574.db2.gz ISIFYDKMMHTGQR-UHFFFAOYSA-N 0 3 406.368 3.820 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OCCC(C)C)c(OC)c2)CC1 ZINC000303336757 971639768 /nfs/dbraw/zinc/63/97/68/971639768.db2.gz OLCWTWLPFTXRFS-UHFFFAOYSA-N 0 3 403.567 3.960 20 30 HHEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000303470754 971772793 /nfs/dbraw/zinc/77/27/93/971772793.db2.gz HOPHRNYVXMOMRA-VLCRHTCISA-N 0 3 409.574 3.537 20 30 HHEDHN C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)N(C)Cc1ccccc1 ZINC000303498165 971797146 /nfs/dbraw/zinc/79/71/46/971797146.db2.gz UJZCOPGSSDCSMJ-KRWDZBQOSA-N 0 3 403.448 3.877 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303761883 972011614 /nfs/dbraw/zinc/01/16/14/972011614.db2.gz ORUDMORACBHSDU-UTKZUKDTSA-N 0 3 420.557 3.720 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303761883 972011619 /nfs/dbraw/zinc/01/16/19/972011619.db2.gz ORUDMORACBHSDU-UTKZUKDTSA-N 0 3 420.557 3.720 20 30 HHEDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000303788956 972028228 /nfs/dbraw/zinc/02/82/28/972028228.db2.gz JPVGPWSHBNHPFZ-VQIMIIECSA-N 0 3 417.962 3.885 20 30 HHEDHN COC(=O)c1cccc(NC(=O)C[C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000542186583 1013128549 /nfs/dbraw/zinc/12/85/49/1013128549.db2.gz YAIALQSUILYUSM-OAHLLOKOSA-N 0 3 418.415 3.850 20 30 HHEDHN COc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)c(OC)c1 ZINC000007974077 961388532 /nfs/dbraw/zinc/38/85/32/961388532.db2.gz JPOUCLJXVIHZNO-UHFFFAOYSA-N 0 3 413.543 3.976 20 30 HHEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000553355685 1013296366 /nfs/dbraw/zinc/29/63/66/1013296366.db2.gz IOMXCHFOUZVANY-KRWDZBQOSA-N 0 3 411.525 3.811 20 30 HHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000553357517 1013297309 /nfs/dbraw/zinc/29/73/09/1013297309.db2.gz SWVLQIHLJGWICS-MRXNPFEDSA-N 0 3 405.477 3.979 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000052485690 964916138 /nfs/dbraw/zinc/91/61/38/964916138.db2.gz MAFATDHNRVSUTP-GUDVDZBRSA-N 0 3 419.639 3.668 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000052485679 964916226 /nfs/dbraw/zinc/91/62/26/964916226.db2.gz OFQUFGKQXZIXQV-RTBURBONSA-N 0 3 419.639 3.764 20 30 HHEDHN Cc1noc([C@@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000054677395 965607356 /nfs/dbraw/zinc/60/73/56/965607356.db2.gz YIJFBLZVYDQRRE-OAHLLOKOSA-N 0 3 413.547 3.788 20 30 HHEDHN COc1ccccc1-c1nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cs1 ZINC000058879854 965937929 /nfs/dbraw/zinc/93/79/29/965937929.db2.gz XIBYZVYFEDIDHP-UHFFFAOYSA-N 0 3 420.538 3.894 20 30 HHEDHN C=CCc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc(OC)c1OC ZINC000059001683 965988117 /nfs/dbraw/zinc/98/81/17/965988117.db2.gz CMHVJOZUZSYNRC-UHFFFAOYSA-N 0 3 400.494 3.775 20 30 HHEDHN Cc1nc(SCC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c(C#N)c(C)c1C ZINC000056168337 966243734 /nfs/dbraw/zinc/24/37/34/966243734.db2.gz KCVYICOZXQMWKF-AZUAARDMSA-N 0 3 408.571 3.922 20 30 HHEDHN C=CCc1ccc(OCC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)c(OC)c1 ZINC000032446390 966257188 /nfs/dbraw/zinc/25/71/88/966257188.db2.gz GPVKQCJOWKVSLL-JOCHJYFZSA-N 0 3 408.542 3.756 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000063503829 966877689 /nfs/dbraw/zinc/87/76/89/966877689.db2.gz WNHGGTGFOSOBFZ-IBGZPJMESA-N 0 3 419.447 3.529 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000044566449 967241567 /nfs/dbraw/zinc/24/15/67/967241567.db2.gz GGZDITVRYNZZSM-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN C=CCn1c(SC[C@@H](O)CN2CCc3ccccc3C2)nnc1-c1ccoc1C ZINC000065169541 967399605 /nfs/dbraw/zinc/39/96/05/967399605.db2.gz WPSNPJYJNUASIU-IBGZPJMESA-N 0 3 410.543 3.544 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000065290445 967429666 /nfs/dbraw/zinc/42/96/66/967429666.db2.gz UJUSBQLWHCLLMI-QFIPXVFZSA-N 0 3 423.557 3.896 20 30 HHEDHN C[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)c1ccccc1 ZINC000538199068 1013754668 /nfs/dbraw/zinc/75/46/68/1013754668.db2.gz MSBFURBBHIFWIH-MJGOQNOKSA-N 0 3 406.530 3.707 20 30 HHEDHN C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000542937640 1013771314 /nfs/dbraw/zinc/77/13/14/1013771314.db2.gz YMNPREWLHUDBJT-ZIAGYGMSSA-N 0 3 418.419 3.652 20 30 HHEDHN Cc1cc(C(=O)C(C#N)c2ccc3ccccc3n2)cc(S(=O)(=O)N(C)C)c1C ZINC000047375442 968163524 /nfs/dbraw/zinc/16/35/24/968163524.db2.gz AJESSYPDGIASME-SFHVURJKSA-N 0 3 407.495 3.592 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000078602572 969005199 /nfs/dbraw/zinc/00/51/99/969005199.db2.gz OYWYHYDLUUQUFP-UHFFFAOYSA-N 0 3 410.484 3.578 20 30 HHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000097261689 969112023 /nfs/dbraw/zinc/11/20/23/969112023.db2.gz TXCQKDKAWXUUSW-SGTLLEGYSA-N 0 3 410.886 3.906 20 30 HHEDHN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN([C@@H](C)CO)C2CCCC2)cc1 ZINC000554272810 1013887282 /nfs/dbraw/zinc/88/72/82/1013887282.db2.gz SYIRTTGYIPXXAA-INIZCTEOSA-N 0 3 424.545 3.538 20 30 HHEDHN C[C@@H](Oc1ccccc1C#N)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000113145331 969825609 /nfs/dbraw/zinc/82/56/09/969825609.db2.gz UUGNTVMTFRMOJD-RISCZKNCSA-N 0 3 402.237 3.980 20 30 HHEDHN CCOc1cc2c(cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000195713678 969975340 /nfs/dbraw/zinc/97/53/40/969975340.db2.gz MAPIGRHDHQBHHB-KRWDZBQOSA-N 0 3 422.529 3.876 20 30 HHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000138738704 970009671 /nfs/dbraw/zinc/00/96/71/970009671.db2.gz JPNGPYKRHWSWHV-CYBMUJFWSA-N 0 3 400.772 3.765 20 30 HHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000138738704 970009675 /nfs/dbraw/zinc/00/96/75/970009675.db2.gz JPNGPYKRHWSWHV-CYBMUJFWSA-N 0 3 400.772 3.765 20 30 HHEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237013111 970206774 /nfs/dbraw/zinc/20/67/74/970206774.db2.gz FEQAZJHTUROZCJ-MSOLQXFVSA-N 0 3 415.559 3.859 20 30 HHEDHN N#CCCn1cc(CNCc2ccc(N3CCOCC3)c(F)c2)c(-c2ccccc2)n1 ZINC000237853172 970380632 /nfs/dbraw/zinc/38/06/32/970380632.db2.gz KKQNKQPWOAPPOE-UHFFFAOYSA-N 0 3 419.504 3.729 20 30 HHEDHN N#CCCn1cc(CNCc2ccc(Cn3ccccc3=O)cc2)c(-c2ccccc2)n1 ZINC000238061007 970430440 /nfs/dbraw/zinc/43/04/40/970430440.db2.gz TYNCLAZISGVFFV-UHFFFAOYSA-N 0 3 423.520 3.964 20 30 HHEDHN N#CCCn1cc(CNCc2cccc(CN3CCCC3=O)c2)c(-c2ccccc2)n1 ZINC000238063523 970431747 /nfs/dbraw/zinc/43/17/47/970431747.db2.gz LZPHAMCZEXOFOE-UHFFFAOYSA-N 0 3 413.525 3.876 20 30 HHEDHN CN(CCNC(=O)C1CCN(CC#Cc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000426453470 974459943 /nfs/dbraw/zinc/45/99/43/974459943.db2.gz GSCXVIMUGRTFFV-UHFFFAOYSA-N 0 3 423.988 3.652 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCC(C)CC1 ZINC000426663853 974589551 /nfs/dbraw/zinc/58/95/51/974589551.db2.gz NQLIECOWEBABRI-SFHVURJKSA-N 0 3 420.513 3.526 20 30 HHEDHN C=CCOc1cccc(NC(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000429054934 976342338 /nfs/dbraw/zinc/34/23/38/976342338.db2.gz KZWOZIMZNPABDX-KDURUIRLSA-N 0 3 401.551 3.995 20 30 HHEDHN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN(C1CCC1)C1CCC1)CCCC2 ZINC000429125811 976411598 /nfs/dbraw/zinc/41/15/98/976411598.db2.gz FWCSWFCBIZJAIV-LJQANCHMSA-N 0 3 410.562 3.763 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN[C@H]2Cc3cccc(O)c3C2)c1C#N ZINC000429312906 976583709 /nfs/dbraw/zinc/58/37/09/976583709.db2.gz AJKUNFBTAFPLOO-SFHVURJKSA-N 0 3 418.472 3.506 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000429587067 976863502 /nfs/dbraw/zinc/86/35/02/976863502.db2.gz CYPMQMFPXAMETN-UHFFFAOYSA-N 0 3 420.492 3.538 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)N(C)C)cc1 ZINC000429640329 976931611 /nfs/dbraw/zinc/93/16/11/976931611.db2.gz MRPQURLGNHIUCA-QFIPXVFZSA-N 0 3 401.514 3.805 20 30 HHEDHN CN(C)CCN(C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CCCC1 ZINC000429782003 977065997 /nfs/dbraw/zinc/06/59/97/977065997.db2.gz HRPYMZCWYOYMQK-UHFFFAOYSA-N 0 3 420.513 3.622 20 30 HHEDHN C[C@H]1C[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CN1Cc1ccccc1 ZINC000429810846 977085709 /nfs/dbraw/zinc/08/57/09/977085709.db2.gz CBHLXESZZTXDLK-UGKGYDQZSA-N 0 3 413.525 3.857 20 30 HHEDHN Cc1c(Br)cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c(=O)n1C ZINC000430630111 977660890 /nfs/dbraw/zinc/66/08/90/977660890.db2.gz REUSLCNTDTYTKQ-NSHDSACASA-N 0 3 408.321 3.700 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2CCN([C@H](C)c3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431036259 977969446 /nfs/dbraw/zinc/96/94/46/977969446.db2.gz VXBPBTGOANSWCM-UEVCKROQSA-N 0 3 403.526 3.883 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000432085656 978674416 /nfs/dbraw/zinc/67/44/16/978674416.db2.gz RGANFWVFEALONR-KRWDZBQOSA-N 0 3 406.368 3.674 20 30 HHEDHN C[C@H](c1ccccc1)N1CCN(C(=O)CN[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433012485 979041538 /nfs/dbraw/zinc/04/15/38/979041538.db2.gz TWPMRMURKGILQE-QPPBQGQZSA-N 0 3 404.558 3.917 20 30 HHEDHN O[C@@H](COCC(F)(F)F)CN1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000433196521 979135075 /nfs/dbraw/zinc/13/50/75/979135075.db2.gz KLAQUJFIMQTKMT-GFCCVEGCSA-N 0 3 403.338 3.906 20 30 HHEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CNc1ccc(C#N)cc1 ZINC000434360151 980114357 /nfs/dbraw/zinc/11/43/57/980114357.db2.gz OLLFARNHSNCGCR-JOCHJYFZSA-N 0 3 414.513 3.561 20 30 HHEDHN C=CCN1CCC(NC(=O)NCCc2cc(Cl)ccc2Br)CC1 ZINC000435176078 980699421 /nfs/dbraw/zinc/69/94/21/980699421.db2.gz FCXKUSOFPSECOL-UHFFFAOYSA-N 0 3 400.748 3.595 20 30 HHEDHN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460566438 982351502 /nfs/dbraw/zinc/35/15/02/982351502.db2.gz RXUWSBKXSYAYDG-KGLIPLIRSA-N 0 3 407.360 3.531 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000460673868 982439523 /nfs/dbraw/zinc/43/95/23/982439523.db2.gz RDQFLWUOJAWUQH-GOSISDBHSA-N 0 3 419.639 3.622 20 30 HHEDHN CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438661519 982979100 /nfs/dbraw/zinc/97/91/00/982979100.db2.gz SIPBNLOLYSFKLU-QFBILLFUSA-N 0 3 424.932 3.834 20 30 HHEDHN CN1CCN(CCCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000438836025 983105267 /nfs/dbraw/zinc/10/52/67/983105267.db2.gz DRHUHHSERAPGBY-DNQXCXABSA-N 0 3 419.573 3.709 20 30 HHEDHN C[C@@H](NCc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1ccccc1C#N ZINC000439596068 983465142 /nfs/dbraw/zinc/46/51/42/983465142.db2.gz NEYAEKPWYHQZQU-GOSISDBHSA-N 0 3 402.498 3.900 20 30 HHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000439636713 983479321 /nfs/dbraw/zinc/47/93/21/983479321.db2.gz DJPZATVFLBQCCS-IEGUWTFLSA-N 0 3 406.530 3.585 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)CC1 ZINC000442312168 984809414 /nfs/dbraw/zinc/80/94/14/984809414.db2.gz UONHSWFGIVTYKV-UHFFFAOYSA-N 0 3 423.582 3.825 20 30 HHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)n1 ZINC000442606829 985088292 /nfs/dbraw/zinc/08/82/92/985088292.db2.gz PVNARVRJJZFJGO-SFHVURJKSA-N 0 3 411.527 3.950 20 30 HHEDHN Cc1nc(SCC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c(C#N)c(C)c1C ZINC000462191450 985173561 /nfs/dbraw/zinc/17/35/61/985173561.db2.gz SOCRBQDFMOXCRE-YCRPNKLZSA-N 0 3 408.571 3.607 20 30 HHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(Br)cn2C(C)C)n1 ZINC000442811432 985223556 /nfs/dbraw/zinc/22/35/56/985223556.db2.gz CDSJIRYGFIQEOS-LLVKDONJSA-N 0 3 410.293 3.955 20 30 HHEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443091568 985370091 /nfs/dbraw/zinc/37/00/91/985370091.db2.gz FAVQRXWRYXNWIS-UHFFFAOYSA-N 0 3 411.980 3.806 20 30 HHEDHN N#CCSc1cccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c1 ZINC000443336382 985502460 /nfs/dbraw/zinc/50/24/60/985502460.db2.gz RNKKVXRFTZCSCN-UHFFFAOYSA-N 0 3 413.518 3.715 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000443671183 985877302 /nfs/dbraw/zinc/87/73/02/985877302.db2.gz BOPWBWQDDWIESU-WOJBJXKFSA-N 0 3 421.541 3.756 20 30 HHEDHN COc1ccc2c(c1)CCC[C@H]2CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000468235515 985932856 /nfs/dbraw/zinc/93/28/56/985932856.db2.gz SVFUDUZQPKYOFS-QFIPXVFZSA-N 0 3 420.557 3.760 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000443843686 986045958 /nfs/dbraw/zinc/04/59/58/986045958.db2.gz OZLOJXLAICDILK-GCJKJVERSA-N 0 3 409.530 3.696 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443886465 986087075 /nfs/dbraw/zinc/08/70/75/986087075.db2.gz UIIIMXJOEMZQOZ-UHFFFAOYSA-N 0 3 420.391 3.689 20 30 HHEDHN O=C(CN(C[C@@H]1CCCO1)C1CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444213071 986396496 /nfs/dbraw/zinc/39/64/96/986396496.db2.gz OTFMREBHHVPEOD-FQEVSTJZSA-N 0 3 408.464 3.597 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463506958 986482484 /nfs/dbraw/zinc/48/24/84/986482484.db2.gz MQMWGGYBOQUMLS-QZTJIDSGSA-N 0 3 401.432 3.669 20 30 HHEDHN C=CCN(C(=O)c1ccc(N2CCN(CC)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000444463753 986646111 /nfs/dbraw/zinc/64/61/11/986646111.db2.gz YNLONELAKKSYJN-UHFFFAOYSA-N 0 3 410.587 3.997 20 30 HHEDHN C[C@H](NCc1ccccc1-c1ccc(Cn2cccn2)cc1)C(=O)NC1(C#N)CCC1 ZINC000469104988 986820702 /nfs/dbraw/zinc/82/07/02/986820702.db2.gz UQHFJKJVMKIZBK-IBGZPJMESA-N 0 3 413.525 3.639 20 30 HHEDHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677690 986859326 /nfs/dbraw/zinc/85/93/26/986859326.db2.gz UOKCVIKAVGQNFQ-DHIUTWEWSA-N 0 3 406.526 3.929 20 30 HHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000469437418 987123867 /nfs/dbraw/zinc/12/38/67/987123867.db2.gz YCGYCFRIHXSYEZ-ZEQRLZLVSA-N 0 3 420.557 3.798 20 30 HHEDHN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000470030900 987642703 /nfs/dbraw/zinc/64/27/03/987642703.db2.gz RPOYYQYKTAOLKN-RPWUZVMVSA-N 0 3 420.557 3.860 20 30 HHEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCN2CCCC(C)(C)C2)cc1C ZINC000470309972 988267585 /nfs/dbraw/zinc/26/75/85/988267585.db2.gz UPPANEQUWUUPTL-UHFFFAOYSA-N 0 3 407.562 3.932 20 30 HHEDHN CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 ZINC000470555393 988569959 /nfs/dbraw/zinc/56/99/59/988569959.db2.gz HSSBOWWGYPOISY-QFIPXVFZSA-N 0 3 419.529 3.694 20 30 HHEDHN Cc1ccc([C@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)c(C)c1 ZINC000471012622 989082041 /nfs/dbraw/zinc/08/20/41/989082041.db2.gz RJEISHRDROYLMO-UNMCSNQZSA-N 0 3 422.598 3.563 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(I)ccc2Cl)CC1 ZINC000471286032 989442098 /nfs/dbraw/zinc/44/20/98/989442098.db2.gz IADDTYUNYWJSFR-UHFFFAOYSA-N 0 3 418.706 3.715 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000465855631 990966357 /nfs/dbraw/zinc/96/63/57/990966357.db2.gz BBFNCVRSTQJCLM-HNNXBMFYSA-N 0 3 410.356 3.556 20 30 HHEDHN C[C@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CN1Cc1ccccc1 ZINC000467486175 992775347 /nfs/dbraw/zinc/77/53/47/992775347.db2.gz NMQDUGYIGNFULR-YOEHRIQHSA-N 0 3 400.429 3.944 20 30 HHEDHN N#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1Cl ZINC000472272956 993294164 /nfs/dbraw/zinc/29/41/64/993294164.db2.gz FMIDSWVJPZZMLN-HXUWFJFHSA-N 0 3 424.932 3.825 20 30 HHEDHN N#Cc1cc(Cl)ccc1CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000480775337 993641046 /nfs/dbraw/zinc/64/10/46/993641046.db2.gz BTLWVUJRXYSFEN-IBGZPJMESA-N 0 3 409.965 3.641 20 30 HHEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000481266608 994085420 /nfs/dbraw/zinc/08/54/20/994085420.db2.gz CXVCXVCPCPAZDO-FCHUYYIVSA-N 0 3 422.598 3.978 20 30 HHEDHN C=C(C)[C@H](N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000481617675 994476788 /nfs/dbraw/zinc/47/67/88/994476788.db2.gz WFMQIUDVTHNFMG-LLBVYWAGSA-N 0 3 413.512 3.951 20 30 HHEDHN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481672533 994532367 /nfs/dbraw/zinc/53/23/67/994532367.db2.gz ZXWXOQVLCABDGU-HSZRJFAPSA-N 0 3 411.571 3.943 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473819608 994747985 /nfs/dbraw/zinc/74/79/85/994747985.db2.gz HGJHSFLBQITKFQ-UHFFFAOYSA-N 0 3 423.517 3.957 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000473988207 994975877 /nfs/dbraw/zinc/97/58/77/994975877.db2.gz SFQNLMNGZDKXOF-REWPJTCUSA-N 0 3 409.530 3.646 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(Br)cc1 ZINC000482102555 995047741 /nfs/dbraw/zinc/04/77/41/995047741.db2.gz SNMBPSFJXCAEMY-UHFFFAOYSA-N 0 3 414.347 3.844 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000474077339 995062741 /nfs/dbraw/zinc/06/27/41/995062741.db2.gz AAEHLDUGSLOFDD-UHFFFAOYSA-N 0 3 421.520 3.505 20 30 HHEDHN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474236159 995233390 /nfs/dbraw/zinc/23/33/90/995233390.db2.gz XFLMOCVXALABQW-QFIPXVFZSA-N 0 3 410.949 3.793 20 30 HHEDHN C=CCOc1ccc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000482695622 995687035 /nfs/dbraw/zinc/68/70/35/995687035.db2.gz SZPVUXVUMBGGBA-PGRDOPGGSA-N 0 3 402.441 3.600 20 30 HHEDHN C=C(C)COc1cc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)ccc1OC ZINC000482736697 995715443 /nfs/dbraw/zinc/71/54/43/995715443.db2.gz XLZDXJWVZQAFDQ-WMZHIEFXSA-N 0 3 416.468 3.990 20 30 HHEDHN C=C(C)[C@H](NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000483315047 996093875 /nfs/dbraw/zinc/09/38/75/996093875.db2.gz NAXBLZMQTVCCDK-JTHBVZDNSA-N 0 3 415.484 3.518 20 30 HHEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475564838 996221588 /nfs/dbraw/zinc/22/15/88/996221588.db2.gz BYSLLJUJTRHHBO-UHFFFAOYSA-N 0 3 405.951 3.744 20 30 HHEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000483724332 996350785 /nfs/dbraw/zinc/35/07/85/996350785.db2.gz KVJYPGACQITRQK-NHCUHLMSSA-N 0 3 412.509 3.650 20 30 HHEDHN C[C@H]1C[C@@H](N(C)S(=O)(=O)CC2(C#N)CCCCC2)CCN1Cc1ccccc1 ZINC000475789875 996372975 /nfs/dbraw/zinc/37/29/75/996372975.db2.gz KRPDMARZZSHXTB-FPOVZHCZSA-N 0 3 403.592 3.775 20 30 HHEDHN Cc1cc(C)n(-c2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2F)n1 ZINC000484119150 996580370 /nfs/dbraw/zinc/58/03/70/996580370.db2.gz TWOVRTRUHCNDRB-UHFFFAOYSA-N 0 3 419.504 3.704 20 30 HHEDHN CCN(CCC#N)C(=O)CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000477637676 998355529 /nfs/dbraw/zinc/35/55/29/998355529.db2.gz OTRFTRGFMYCULV-UHFFFAOYSA-N 0 3 421.541 3.623 20 30 HHEDHN N#Cc1cccc(OCCCCC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1 ZINC000477712094 998433823 /nfs/dbraw/zinc/43/38/23/998433823.db2.gz CPAGTSSLBXOEIG-UHFFFAOYSA-N 0 3 421.541 3.950 20 30 HHEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000477747445 998490231 /nfs/dbraw/zinc/49/02/31/998490231.db2.gz PKJMRBFHXDTKIZ-DEOSSOPVSA-N 0 3 421.541 3.805 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cc(C(=O)OC)ccc2OCc2ccccc2)CC1 ZINC000477953825 998678907 /nfs/dbraw/zinc/67/89/07/998678907.db2.gz DDNQQWUKMOKLOS-UHFFFAOYSA-N 0 3 423.513 3.824 20 30 HHEDHN N#Cc1c(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cn2ccccc12 ZINC000486819332 998954486 /nfs/dbraw/zinc/95/44/86/998954486.db2.gz DNLNZHPKTLFXOQ-NTKDMRAZSA-N 0 3 410.481 3.810 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000487003403 999032389 /nfs/dbraw/zinc/03/23/89/999032389.db2.gz XZOIWWDDINSBNV-FQEVSTJZSA-N 0 3 418.463 3.978 20 30 HHEDHN CC(C)([C@H](NC(=O)CNc1cccc(C#N)c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000487111676 999065641 /nfs/dbraw/zinc/06/56/41/999065641.db2.gz NUXDCTBEFYSKQY-JOCHJYFZSA-N 0 3 412.484 3.980 20 30 HHEDHN CC(C)NC(=O)Nc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488461288 999493861 /nfs/dbraw/zinc/49/38/61/999493861.db2.gz INZICGRBFNQBBC-HTAPYJJXSA-N 0 3 419.529 3.540 20 30 HHEDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488476582 999500134 /nfs/dbraw/zinc/50/01/34/999500134.db2.gz GYHLTYUMGQAJAA-OALUTQOASA-N 0 3 424.526 3.728 20 30 HHEDHN Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000488482786 999503048 /nfs/dbraw/zinc/50/30/48/999503048.db2.gz SDSISISGYNZVSB-HRAATJIYSA-N 0 3 424.932 3.628 20 30 HHEDHN C=CCn1c(SC[C@@H](O)CN2CCc3ccccc3C2)nnc1-c1ccc(C)cc1 ZINC000480424216 999795635 /nfs/dbraw/zinc/79/56/35/999795635.db2.gz CVIJORWYPGPWSA-QFIPXVFZSA-N 0 3 420.582 3.951 20 30 HHEDHN Cn1cc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491115954 1000047271 /nfs/dbraw/zinc/04/72/71/1000047271.db2.gz ZNJSTVODVGANHB-FQEVSTJZSA-N 0 3 413.525 3.601 20 30 HHEDHN N#Cc1ccc(OCCN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000493636148 1000182487 /nfs/dbraw/zinc/18/24/87/1000182487.db2.gz QEYPIQAHZWKQBU-MRXNPFEDSA-N 0 3 415.419 3.878 20 30 HHEDHN Cc1nc(SCC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c(C#N)c(C)c1C ZINC000494000599 1000261441 /nfs/dbraw/zinc/26/14/41/1000261441.db2.gz SQAVIXZKTXIJNH-GHTZIAJQSA-N 0 3 408.571 3.750 20 30 HHEDHN Cc1nc(SCC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c(C#N)c(C)c1C ZINC000494000600 1000261976 /nfs/dbraw/zinc/26/19/76/1000261976.db2.gz SQAVIXZKTXIJNH-NQIIRXRSSA-N 0 3 408.571 3.750 20 30 HHEDHN CC1CCC(N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000494760847 1000639231 /nfs/dbraw/zinc/63/92/31/1000639231.db2.gz RIAKKPVZWDDTJR-CTWPCTMYSA-N 0 3 412.578 3.867 20 30 HHEDHN CC1CCN([C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000505799405 1001032768 /nfs/dbraw/zinc/03/27/68/1001032768.db2.gz QBONUYMFGZUNRX-YKSBVNFPSA-N 0 3 413.562 3.837 20 30 HHEDHN CC1CCN([C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000505799402 1001032777 /nfs/dbraw/zinc/03/27/77/1001032777.db2.gz QBONUYMFGZUNRX-GBXCKJPGSA-N 0 3 413.562 3.837 20 30 HHEDHN CS[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000495671556 1001060534 /nfs/dbraw/zinc/06/05/34/1001060534.db2.gz ODTOOUSGBPCLDB-FPOVZHCZSA-N 0 3 411.596 3.968 20 30 HHEDHN N#Cc1ccc(CN2CCC(CCCN3CCOCC3)CC2)c(Br)c1 ZINC000506052165 1001193219 /nfs/dbraw/zinc/19/32/19/1001193219.db2.gz RDWOWDWXLXGECH-UHFFFAOYSA-N 0 3 406.368 3.645 20 30 HHEDHN N#CCCn1cc(CN2CCC(C(=O)N3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000506100952 1001220214 /nfs/dbraw/zinc/22/02/14/1001220214.db2.gz LSPWBVRWQLENPU-UHFFFAOYSA-N 0 3 405.546 3.688 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)NC1CCCC1)C(C)C ZINC000497928721 1001568638 /nfs/dbraw/zinc/56/86/38/1001568638.db2.gz WSXHMLVABOCHAE-FQEVSTJZSA-N 0 3 419.639 3.668 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000498389988 1001819144 /nfs/dbraw/zinc/81/91/44/1001819144.db2.gz KFOQEADAUDJIKN-UHFFFAOYSA-N 0 3 408.502 3.968 20 30 HHEDHN COc1cccc([C@@H](CNc2c(C#N)cnc3ccc(OC(F)F)cc32)N(C)C)c1 ZINC000507118598 1001819801 /nfs/dbraw/zinc/81/98/01/1001819801.db2.gz YSZATRYBUCXPGL-HXUWFJFHSA-N 0 3 412.440 3.853 20 30 HHEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000507419398 1002060866 /nfs/dbraw/zinc/06/08/66/1002060866.db2.gz HOCDBNCFFQJZTD-YCRPNKLZSA-N 0 3 402.498 3.634 20 30 HHEDHN C[C@@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507419628 1002061122 /nfs/dbraw/zinc/06/11/22/1002061122.db2.gz GGUCAZFAPGRKBT-MGPUTAFESA-N 0 3 410.905 3.714 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000507539994 1002146485 /nfs/dbraw/zinc/14/64/85/1002146485.db2.gz XJOUHXGFGXRQHS-GCJKJVERSA-N 0 3 420.532 3.865 20 30 HHEDHN CC(C)N(CC(=O)Nc1cccc(CN2CCSCC2)c1)Cc1ccc(C#N)cc1 ZINC000507671651 1002266910 /nfs/dbraw/zinc/26/69/10/1002266910.db2.gz WCJWGILTEVVHHX-UHFFFAOYSA-N 0 3 422.598 3.956 20 30 HHEDHN C=CCc1cc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000507833272 1002375701 /nfs/dbraw/zinc/37/57/01/1002375701.db2.gz KVNAORVWNZVXPO-NQIIRXRSSA-N 0 3 400.906 3.844 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@H](O)COc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000507848534 1002387355 /nfs/dbraw/zinc/38/73/55/1002387355.db2.gz VVKSFZKSWJHZOZ-SFHVURJKSA-N 0 3 420.431 3.860 20 30 HHEDHN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000499048054 1002428922 /nfs/dbraw/zinc/42/89/22/1002428922.db2.gz LSAXGQVMWDPFGF-SFHVURJKSA-N 0 3 418.545 3.786 20 30 HHEDHN C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508493388 1002976644 /nfs/dbraw/zinc/97/66/44/1002976644.db2.gz YEVHMPOFIDNAGR-UHFFFAOYSA-N 0 3 413.566 3.610 20 30 HHEDHN C=CCn1c(-c2ccccc2)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508507269 1002988927 /nfs/dbraw/zinc/98/89/27/1002988927.db2.gz HHAZMOXDRJSXIW-WOJBJXKFSA-N 0 3 409.578 3.847 20 30 HHEDHN C=CCn1c(-c2ccccc2)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508507266 1002989073 /nfs/dbraw/zinc/98/90/73/1002989073.db2.gz HHAZMOXDRJSXIW-PMACEKPBSA-N 0 3 409.578 3.847 20 30 HHEDHN C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000508858299 1003278117 /nfs/dbraw/zinc/27/81/17/1003278117.db2.gz RFHGUCRNCBLLEH-HXUWFJFHSA-N 0 3 418.545 3.736 20 30 HHEDHN C=CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000508885202 1003309518 /nfs/dbraw/zinc/30/95/18/1003309518.db2.gz NJVNZWKNBRAQOA-JOCHJYFZSA-N 0 3 402.546 3.551 20 30 HHEDHN C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000508903645 1003340700 /nfs/dbraw/zinc/34/07/00/1003340700.db2.gz PVSIHQJDDMQWBW-VXKWHMMOSA-N 0 3 407.562 3.774 20 30 HHEDHN C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508912976 1003352698 /nfs/dbraw/zinc/35/26/98/1003352698.db2.gz NRDATNPZVRSDNS-LJQANCHMSA-N 0 3 413.566 3.703 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000508936748 1003383589 /nfs/dbraw/zinc/38/35/89/1003383589.db2.gz YXWJHIWAFWMHQB-UHFFFAOYSA-N 0 3 401.510 3.926 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nc(-c2cccs2)no1 ZINC000508964846 1003430995 /nfs/dbraw/zinc/43/09/95/1003430995.db2.gz DXPTYGRDTOKSFJ-UHFFFAOYSA-N 0 3 423.542 3.583 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000509067020 1003528887 /nfs/dbraw/zinc/52/88/87/1003528887.db2.gz VLSPMBIPXDZGFO-IBGZPJMESA-N 0 3 400.906 3.633 20 30 HHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000500416057 1003703486 /nfs/dbraw/zinc/70/34/86/1003703486.db2.gz MQOKDCJMBMIAMM-INIZCTEOSA-N 0 3 416.472 3.994 20 30 HHEDHN CCc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c2c(n1)onc2C(C)C ZINC000509440264 1003863287 /nfs/dbraw/zinc/86/32/87/1003863287.db2.gz RHQGEQFOJODJSI-UHFFFAOYSA-N 0 3 419.529 3.984 20 30 HHEDHN CN1CCC(N(Cc2ccco2)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000512314296 1004210203 /nfs/dbraw/zinc/21/02/03/1004210203.db2.gz NEPZCPZCTNMZPM-UHFFFAOYSA-N 0 3 424.520 3.630 20 30 HHEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c1 ZINC000512594887 1004409965 /nfs/dbraw/zinc/40/99/65/1004409965.db2.gz GEYUSOWNWREQFQ-UHFFFAOYSA-N 0 3 403.461 3.938 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000510411751 1004547290 /nfs/dbraw/zinc/54/72/90/1004547290.db2.gz GTJRILGJOVNXOC-UHFFFAOYSA-N 0 3 421.545 3.682 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812510 1004574782 /nfs/dbraw/zinc/57/47/82/1004574782.db2.gz VKUCLSPPCVHZCF-FQEVSTJZSA-N 0 3 410.489 3.709 20 30 HHEDHN CCOc1ccccc1NC(=O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512843382 1004605129 /nfs/dbraw/zinc/60/51/29/1004605129.db2.gz GZDCRBNNUNVFKL-UHFFFAOYSA-N 0 3 411.477 3.968 20 30 HHEDHN CC1CCC(N2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC2)CC1 ZINC000512960640 1004729762 /nfs/dbraw/zinc/72/97/62/1004729762.db2.gz CVZHMODMAYQMHL-UHFFFAOYSA-N 0 3 412.553 3.637 20 30 HHEDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 ZINC000513106854 1004810415 /nfs/dbraw/zinc/81/04/15/1004810415.db2.gz AYRPIMVNWJSCFM-UHFFFAOYSA-N 0 3 420.492 3.787 20 30 HHEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513113001 1004813452 /nfs/dbraw/zinc/81/34/52/1004813452.db2.gz IKPNFJOMMGTMAR-UHFFFAOYSA-N 0 3 412.494 3.540 20 30 HHEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000501992644 1004850546 /nfs/dbraw/zinc/85/05/46/1004850546.db2.gz YQKZNXWBPFYIDA-MRXNPFEDSA-N 0 3 419.447 3.935 20 30 HHEDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000501999249 1004853904 /nfs/dbraw/zinc/85/39/04/1004853904.db2.gz HXZYOPZXTJOCGW-UHFFFAOYSA-N 0 3 420.542 3.596 20 30 HHEDHN N#Cc1ccc(OCCN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000502334141 1005017937 /nfs/dbraw/zinc/01/79/37/1005017937.db2.gz SDKBPONLXFGDID-IBGZPJMESA-N 0 3 407.518 3.668 20 30 HHEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@]3(Cc4ccc(Cl)cc4)CCOC3)C2=O)cc1 ZINC000502602562 1005135544 /nfs/dbraw/zinc/13/55/44/1005135544.db2.gz SRSNRMBERVGKHU-FYYLOGMGSA-N 0 3 409.917 3.698 20 30 HHEDHN C[C@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H](c1ccccc1)N(C)C ZINC000502677384 1005175554 /nfs/dbraw/zinc/17/55/54/1005175554.db2.gz FQIXRAIPZBZURA-WGJNNHPISA-N 0 3 421.545 3.634 20 30 HHEDHN C=CCNC(=O)c1ccc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000511670598 1005270061 /nfs/dbraw/zinc/27/00/61/1005270061.db2.gz HUEQVJLHKCAIDR-SFHVURJKSA-N 0 3 404.436 3.703 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)nn1-c1cccc(C#N)c1 ZINC000503058580 1005331090 /nfs/dbraw/zinc/33/10/90/1005331090.db2.gz KQDGATJKIOEXBU-UHFFFAOYSA-N 0 3 423.467 3.535 20 30 HHEDHN CCCCCc1nnc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000503402576 1005409288 /nfs/dbraw/zinc/40/92/88/1005409288.db2.gz AWOYBJWZPYTSRX-UHFFFAOYSA-N 0 3 400.552 3.738 20 30 HHEDHN CCN1CC[C@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000514426192 1005984911 /nfs/dbraw/zinc/98/49/11/1005984911.db2.gz MUEAIYYOTAJEJX-ADLFWFRXSA-N 0 3 422.495 3.560 20 30 HHEDHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)CC1 ZINC000531587014 1006288773 /nfs/dbraw/zinc/28/87/73/1006288773.db2.gz CCIVMGNXTAAVNA-OALUTQOASA-N 0 3 415.607 3.571 20 30 HHEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)CC1 ZINC000531587017 1006289726 /nfs/dbraw/zinc/28/97/26/1006289726.db2.gz CCIVMGNXTAAVNA-RTBURBONSA-N 0 3 415.607 3.571 20 30 HHEDHN CSCc1cc(F)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000532037196 1006592492 /nfs/dbraw/zinc/59/24/92/1006592492.db2.gz WCFIHYLNNLTNKW-UHFFFAOYSA-N 0 3 414.550 3.834 20 30 HHEDHN CCC[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538388853 1006658384 /nfs/dbraw/zinc/65/83/84/1006658384.db2.gz HYIMZUQWPVDNHW-DHIUTWEWSA-N 0 3 408.521 3.666 20 30 HHEDHN C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc2ccccc21 ZINC000538390009 1006659119 /nfs/dbraw/zinc/65/91/19/1006659119.db2.gz MNMPYSDBDMDHHV-AVRDEDQJSA-N 0 3 418.566 3.961 20 30 HHEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)C2)CC1 ZINC000532351045 1006811349 /nfs/dbraw/zinc/81/13/49/1006811349.db2.gz YIOWZDKTFDPQBQ-XMMPIXPASA-N 0 3 416.569 3.719 20 30 HHEDHN N#CCCn1cc(CN2CCC(CN3CCCCC3=O)CC2)c(-c2ccccc2)n1 ZINC000538737874 1007020293 /nfs/dbraw/zinc/02/02/93/1007020293.db2.gz HTCUGEGWFDRUTL-UHFFFAOYSA-N 0 3 405.546 3.688 20 30 HHEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@@](C)(C#N)CCc3ccccc3)cc2)CC1 ZINC000532688867 1007102603 /nfs/dbraw/zinc/10/26/03/1007102603.db2.gz CALWOIFLUJLKHD-RUZDIDTESA-N 0 3 404.558 3.862 20 30 HHEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)CCc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000516516179 1007126167 /nfs/dbraw/zinc/12/61/67/1007126167.db2.gz LQRAHTSFWUFOTM-IBGZPJMESA-N 0 3 401.432 3.900 20 30 HHEDHN N#Cc1ccc(CNC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c(F)c1 ZINC000532990284 1007361642 /nfs/dbraw/zinc/36/16/42/1007361642.db2.gz HAJTXYWNYWXHTE-FQEVSTJZSA-N 0 3 407.411 3.879 20 30 HHEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000517052598 1007383482 /nfs/dbraw/zinc/38/34/82/1007383482.db2.gz GMCBXOWNDHVXKI-DEOSSOPVSA-N 0 3 420.557 3.771 20 30 HHEDHN Cc1ccc(-c2nc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cs2)n1C ZINC000535353941 1007410487 /nfs/dbraw/zinc/41/04/87/1007410487.db2.gz HLVRAYNKSDUCLY-UHFFFAOYSA-N 0 3 407.543 3.533 20 30 HHEDHN COC(=O)CC1(NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCCC1 ZINC000533068095 1007429948 /nfs/dbraw/zinc/42/99/48/1007429948.db2.gz IBXNQGLPKYNNPW-INIZCTEOSA-N 0 3 403.548 3.732 20 30 HHEDHN C/C=C\c1ccc(OC[C@@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)c(OC)c1 ZINC000517134750 1007449065 /nfs/dbraw/zinc/44/90/65/1007449065.db2.gz GYGCBKMBDBJRCW-OMUFJYGLSA-N 0 3 422.525 3.883 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC000517324010 1007565698 /nfs/dbraw/zinc/56/56/98/1007565698.db2.gz JNPZTOGPNRJPAJ-UHFFFAOYSA-N 0 3 409.578 3.979 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000539288386 1007585325 /nfs/dbraw/zinc/58/53/25/1007585325.db2.gz HEXHWCOBNCOMIZ-MOPGFXCFSA-N 0 3 417.513 3.867 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000533343721 1007651017 /nfs/dbraw/zinc/65/10/17/1007651017.db2.gz BJZOOOQQMMEWRE-OAQYLSRUSA-N 0 3 424.541 3.514 20 30 HHEDHN Cc1ccccc1[C@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000539363562 1007666436 /nfs/dbraw/zinc/66/64/36/1007666436.db2.gz OEMDVCDHHCHPGW-NHCUHLMSSA-N 0 3 408.571 3.603 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N1CCC[C@H](C)C1 ZINC000517524797 1007743911 /nfs/dbraw/zinc/74/39/11/1007743911.db2.gz LXLPEEYWPNGQGF-ROUUACIJSA-N 0 3 420.513 3.526 20 30 HHEDHN Cc1ccc([C@@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)N(C)C)cc1 ZINC000517599577 1007801578 /nfs/dbraw/zinc/80/15/78/1007801578.db2.gz IANOHRVWLSCVBU-NZQKXSOJSA-N 0 3 423.536 3.577 20 30 HHEDHN Cc1cc(NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)nn1CCC#N ZINC000539715198 1008030048 /nfs/dbraw/zinc/03/00/48/1008030048.db2.gz JHYOHFMBXDDCDP-QGZVFWFLSA-N 0 3 400.552 3.761 20 30 HHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539765430 1008080925 /nfs/dbraw/zinc/08/09/25/1008080925.db2.gz HNKIYYDBUXCBDK-QFBILLFUSA-N 0 3 406.534 3.931 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCSCc2ccccc2C#N)C1 ZINC000518402196 1008289562 /nfs/dbraw/zinc/28/95/62/1008289562.db2.gz PUQJUGHMGZSVLX-AVRDEDQJSA-N 0 3 408.571 3.926 20 30 HHEDHN CC[C@@H](CNC(=O)N(C)CCOCc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000518430208 1008302186 /nfs/dbraw/zinc/30/21/86/1008302186.db2.gz OEFRQEFWEDCLOH-DEOSSOPVSA-N 0 3 420.557 3.553 20 30 HHEDHN C=CCN1CCC(NC(=O)CCc2ncc(-c3ccccc3Br)o2)CC1 ZINC000518501835 1008329656 /nfs/dbraw/zinc/32/96/56/1008329656.db2.gz UZITVVHAMATZCC-UHFFFAOYSA-N 0 3 418.335 3.803 20 30 HHEDHN C[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000540432451 1008431315 /nfs/dbraw/zinc/43/13/15/1008431315.db2.gz ODQZRRUOZZATKA-MRXNPFEDSA-N 0 3 408.893 3.518 20 30 HHEDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1 ZINC000542962375 1008534890 /nfs/dbraw/zinc/53/48/90/1008534890.db2.gz PMLCNSFFDGVFRP-UHFFFAOYSA-N 0 3 420.492 3.787 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000519292957 1008705144 /nfs/dbraw/zinc/70/51/44/1008705144.db2.gz QJRWQTCUEIVNBR-DEOSSOPVSA-N 0 3 423.557 3.937 20 30 HHEDHN CCOC(=O)[C@@H]1CC[C@@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000549235879 1008805991 /nfs/dbraw/zinc/80/59/91/1008805991.db2.gz PYMZAEMLLCHOIR-DNVJHFABSA-N 0 3 417.509 3.825 20 30 HHEDHN C[C@H](NCc1cn(CCC#N)nc1-c1ccncc1)c1ccc2c(c1)CCC(=O)N2 ZINC000519844647 1009027712 /nfs/dbraw/zinc/02/77/12/1009027712.db2.gz GLLYVOVZHMCEAZ-INIZCTEOSA-N 0 3 400.486 3.594 20 30 HHEDHN N#CC(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccncn1 ZINC000546152522 1009184078 /nfs/dbraw/zinc/18/40/78/1009184078.db2.gz GFBZWJRWFZMMKY-CYBMUJFWSA-N 0 3 419.281 3.849 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc(C)c1OC(F)F ZINC000520233913 1009356451 /nfs/dbraw/zinc/35/64/51/1009356451.db2.gz QNEBTQOJLOIKGF-UHFFFAOYSA-N 0 3 401.457 3.981 20 30 HHEDHN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C2CCCC2)CC1 ZINC000549734559 1009358171 /nfs/dbraw/zinc/35/81/71/1009358171.db2.gz GKAPCHHNYICSGX-UHFFFAOYSA-N 0 3 404.562 3.922 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H]3CCCN3Cc3ccccc3)n2)c(F)c1 ZINC000543887781 1009465075 /nfs/dbraw/zinc/46/50/75/1009465075.db2.gz HVHCJQZHUXCMQH-IBGZPJMESA-N 0 3 418.476 3.669 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000520697516 1009764561 /nfs/dbraw/zinc/76/45/61/1009764561.db2.gz JFWCTJQWZVIJLH-OALUTQOASA-N 0 3 412.578 3.967 20 30 HHEDHN C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)N(C)Cc1ccccc1 ZINC000521095957 1010114793 /nfs/dbraw/zinc/11/47/93/1010114793.db2.gz ZLVZQRPNUYFRJA-GOSISDBHSA-N 0 3 403.482 3.981 20 30 HHEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCSCc1ccccc1C#N ZINC000521384686 1010348021 /nfs/dbraw/zinc/34/80/21/1010348021.db2.gz KPLSWPMGNITMTE-UHFFFAOYSA-N 0 3 414.550 3.704 20 30 HHEDHN Cc1cc(NC(=O)c2ccc(F)c(C#N)c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000551302829 1010504746 /nfs/dbraw/zinc/50/47/46/1010504746.db2.gz WVIVKUCRHIAWKB-FQEVSTJZSA-N 0 3 403.461 3.902 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C(F)(F)F ZINC000521890741 1010689424 /nfs/dbraw/zinc/68/94/24/1010689424.db2.gz KLQHOGOCKNBCPN-UHFFFAOYSA-N 0 3 404.436 3.850 20 30 HHEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000521901466 1010695650 /nfs/dbraw/zinc/69/56/50/1010695650.db2.gz JWXKDTWYTHKGPC-CQSZACIVSA-N 0 3 412.397 3.879 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccccc2)cn1 ZINC000548829105 1010739679 /nfs/dbraw/zinc/73/96/79/1010739679.db2.gz XDJZIXOEKKBHSK-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000548916015 1010758869 /nfs/dbraw/zinc/75/88/69/1010758869.db2.gz BXJUNSJLWBYEEO-UHFFFAOYSA-N 0 3 403.530 3.585 20 30 HHEDHN C=CC[C@@H](C)NC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000522573387 1011086640 /nfs/dbraw/zinc/08/66/40/1011086640.db2.gz QROMJICVIGLYGQ-QGZVFWFLSA-N 0 3 412.500 3.871 20 30 HHEDHN Cc1cc(NC(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)nn1CCC#N ZINC000540818086 1011479615 /nfs/dbraw/zinc/47/96/15/1011479615.db2.gz FAHRGIQTUTXQEX-FQEVSTJZSA-N 0 3 408.550 3.700 20 30 HHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540863000 1011534499 /nfs/dbraw/zinc/53/44/99/1011534499.db2.gz BMHOXLLHXSRIAC-IBGZPJMESA-N 0 3 409.534 3.991 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)C2CCC(CO)CC2)c1C#N ZINC000536347038 1011551187 /nfs/dbraw/zinc/55/11/87/1011551187.db2.gz AVLGJFBSBSRUTJ-UHFFFAOYSA-N 0 3 412.509 3.526 20 30 HHEDHN C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CN1Cc1ccccc1 ZINC000541098502 1011744211 /nfs/dbraw/zinc/74/42/11/1011744211.db2.gz KSCDEURZRQKHSK-LPHOPBHVSA-N 0 3 418.476 3.668 20 30 HHEDHN CN(C)[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccccc1 ZINC000541097872 1011744261 /nfs/dbraw/zinc/74/42/61/1011744261.db2.gz RBMHRTQWGYDIQQ-LJQANCHMSA-N 0 3 408.893 3.822 20 30 HHEDHN COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105954 1011753085 /nfs/dbraw/zinc/75/30/85/1011753085.db2.gz AVTOPJPJXXWGPZ-MBSDFSHPSA-N 0 3 406.530 3.696 20 30 HHEDHN COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105958 1011753462 /nfs/dbraw/zinc/75/34/62/1011753462.db2.gz AVTOPJPJXXWGPZ-WZONZLPQSA-N 0 3 406.530 3.696 20 30 HHEDHN Cc1ccnn1-c1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000541499574 1012279473 /nfs/dbraw/zinc/27/94/73/1012279473.db2.gz UKBQAXGWDATAKD-UHFFFAOYSA-N 0 3 402.502 3.648 20 30 HHEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000537067656 1012405161 /nfs/dbraw/zinc/40/51/61/1012405161.db2.gz ZFMDZRORYLABJX-NZQKXSOJSA-N 0 3 406.457 3.847 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H](C)[C@H]2COc3ccccc32)c1C#N ZINC000541694529 1012541205 /nfs/dbraw/zinc/54/12/05/1012541205.db2.gz BDDZYANCJYEFMZ-HRAATJIYSA-N 0 3 418.497 3.711 20 30 HHEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000537282152 1012737527 /nfs/dbraw/zinc/73/75/27/1012737527.db2.gz WNNHYKJJVWIMIS-XFQAVAEZSA-N 0 3 403.548 3.588 20 30 HHEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537369572 1012841988 /nfs/dbraw/zinc/84/19/88/1012841988.db2.gz SZQJHOBFHCHGBG-RTBURBONSA-N 0 3 406.452 3.929 20 30 HHEDHN N#CC1(c2ccc(C(=O)NCCCCN3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000537483764 1012994342 /nfs/dbraw/zinc/99/43/42/1012994342.db2.gz CGEJNKCIRFQWLE-UHFFFAOYSA-N 0 3 402.542 3.574 20 30 HHEDHN CN1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000553044017 1013019208 /nfs/dbraw/zinc/01/92/08/1013019208.db2.gz RCWGQULAEUVRQI-OAQYLSRUSA-N 0 3 420.532 3.647 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000524211492 1013019467 /nfs/dbraw/zinc/01/94/67/1013019467.db2.gz LHJXWNQHAMAZHX-XZOQPEGZSA-N 0 3 406.530 3.552 20 30 HHEDHN COc1ccc2c(c1)[C@H](N(CCC(=O)N(C)CCC#N)Cc1ccccc1)CCO2 ZINC000536740638 1072195238 /nfs/dbraw/zinc/19/52/38/1072195238.db2.gz FJJDWJPPEIRISI-JOCHJYFZSA-N 0 3 407.514 3.783 20 30 HHEDHN C[C@H]1[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCN1Cc1ccccc1 ZINC000572196098 1073225190 /nfs/dbraw/zinc/22/51/90/1073225190.db2.gz JQPNKAOWOMSLLH-CYFREDJKSA-N 0 3 418.541 3.774 20 30 HHEDHN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000555255319 1073303968 /nfs/dbraw/zinc/30/39/68/1073303968.db2.gz CYTHVRKJFBXJOO-PKOBYXMFSA-N 0 3 401.530 3.910 20 30 HHEDHN CN(CCOCc1ccc(C#N)cc1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000588980838 1073369541 /nfs/dbraw/zinc/36/95/41/1073369541.db2.gz VAUCLESPUXOZPV-QGZVFWFLSA-N 0 3 409.313 3.753 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000592302016 1074719387 /nfs/dbraw/zinc/71/93/87/1074719387.db2.gz QSYZCFVNAFUUJI-STQMWFEESA-N 0 3 401.395 3.799 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000592302000 1074719562 /nfs/dbraw/zinc/71/95/62/1074719562.db2.gz OPNQUVKWQLHEHW-UHFFFAOYSA-N 0 3 403.954 3.985 20 30 HHEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CCN(CC=C)CC1 ZINC000592524169 1074771456 /nfs/dbraw/zinc/77/14/56/1074771456.db2.gz QHVOADNCZDQMFJ-UHFFFAOYSA-N 0 3 410.331 3.936 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC1 ZINC000592524178 1074781250 /nfs/dbraw/zinc/78/12/50/1074781250.db2.gz SUOWZDHBCJFWRT-UHFFFAOYSA-N 0 3 402.882 3.957 20 30 HHEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)OC2CCCCCC2)cc1 ZINC000761036050 1075224269 /nfs/dbraw/zinc/22/42/69/1075224269.db2.gz IMRUCGKRZPLODG-BEFAXECRSA-N 0 3 400.475 3.639 20 30 HHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000574423846 1075239057 /nfs/dbraw/zinc/23/90/57/1075239057.db2.gz VKVMAFQTXUNAOH-MRXNPFEDSA-N 0 3 419.978 3.553 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 ZINC000594124785 1075264995 /nfs/dbraw/zinc/26/49/95/1075264995.db2.gz KSDBJHKUGARHQA-LDQXTDLNSA-N 0 3 413.562 3.604 20 30 HHEDHN CC(C)[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000574873871 1075399373 /nfs/dbraw/zinc/39/93/73/1075399373.db2.gz JRBNAKWOYKEPFS-REWPJTCUSA-N 0 3 405.498 3.812 20 30 HHEDHN Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nn2)cc1 ZINC001164721678 720338798 /nfs/dbraw/zinc/33/87/98/720338798.db2.gz CZHJSFWMTTWPSX-QTJGBDASSA-N 0 3 410.525 3.689 20 30 HHEDHN Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164759428 721250772 /nfs/dbraw/zinc/25/07/72/721250772.db2.gz AEDHSTPTBNUPLZ-ZWKOTPCHSA-N 0 3 420.948 3.760 20 30 HHEDHN C=CCOc1ccccc1CNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000524265731 1013078275 /nfs/dbraw/zinc/07/82/75/1013078275.db2.gz SIOAGIFLUFUFRV-QFIPXVFZSA-N 0 3 409.530 3.896 20 30 HHEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000303313976 971622288 /nfs/dbraw/zinc/62/22/88/971622288.db2.gz SYSMLEVCTXNBEX-INIZCTEOSA-N 0 3 424.372 3.612 20 30 HHEDHN C=CCOc1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1OC ZINC000303469711 971771485 /nfs/dbraw/zinc/77/14/85/971771485.db2.gz QFXLWCDVKZTZAS-UHFFFAOYSA-N 0 3 404.576 3.742 20 30 HHEDHN N#Cc1ccc(CN2CCCN(CCOc3ccc(Br)cc3)CC2)cc1 ZINC000022850367 963728251 /nfs/dbraw/zinc/72/82/51/963728251.db2.gz BKHLPLHQGMPDQH-UHFFFAOYSA-N 0 3 414.347 3.907 20 30 HHEDHN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000048853912 964079224 /nfs/dbraw/zinc/07/92/24/964079224.db2.gz HEQKYWZGBHOQAF-IBGZPJMESA-N 0 3 407.495 3.754 20 30 HHEDHN CC(C)(C)c1ccc(OC[C@H](O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000025303736 964235886 /nfs/dbraw/zinc/23/58/86/964235886.db2.gz MNNIZRKPMJEPGM-XMMPIXPASA-N 0 3 421.585 3.803 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000054223092 965432789 /nfs/dbraw/zinc/43/27/89/965432789.db2.gz ABILOEDQUBBSPL-NQIIRXRSSA-N 0 3 407.514 3.678 20 30 HHEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056515961 966360812 /nfs/dbraw/zinc/36/08/12/966360812.db2.gz RZNQNENNBSKPDW-UHFFFAOYSA-N 0 3 401.308 3.916 20 30 HHEDHN N#CC(C(=O)c1ccc(OCC(N)=O)cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548725 966592368 /nfs/dbraw/zinc/59/23/68/966592368.db2.gz QRBDGQREPQKPIT-CYBMUJFWSA-N 0 3 419.384 3.669 20 30 HHEDHN C=CCN1CCC(NC(=O)NCC2(c3ccc(Br)s3)CCC2)CC1 ZINC000553921010 1013702519 /nfs/dbraw/zinc/70/25/19/1013702519.db2.gz GVOYOHWHJDZVBC-UHFFFAOYSA-N 0 3 412.397 3.882 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000064497669 967214602 /nfs/dbraw/zinc/21/46/02/967214602.db2.gz UFLMNZJGWOTHPL-UHFFFAOYSA-N 0 3 407.905 3.601 20 30 HHEDHN C=CCc1cc(CNC(=O)NCCCN2CCc3ccccc3C2)cc(OC)c1OC ZINC000065285063 967428630 /nfs/dbraw/zinc/42/86/30/967428630.db2.gz VQBATOUMYOBBMZ-UHFFFAOYSA-N 0 3 423.557 3.680 20 30 HHEDHN C[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)c1ccccc1 ZINC000538203453 1013758368 /nfs/dbraw/zinc/75/83/68/1013758368.db2.gz MSBFURBBHIFWIH-HKUYNNGSSA-N 0 3 406.530 3.707 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000065930768 968720732 /nfs/dbraw/zinc/72/07/32/968720732.db2.gz KTPQDKQYXGRVEF-UHFFFAOYSA-N 0 3 407.905 3.806 20 30 HHEDHN CCCN(C(=O)COc1ccc(C#N)cc1OC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000116557365 969904134 /nfs/dbraw/zinc/90/41/34/969904134.db2.gz DEMYBICACKEFIY-JOCHJYFZSA-N 0 3 421.541 3.849 20 30 HHEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2ccccc2Cl)cc1 ZINC000140416149 970075888 /nfs/dbraw/zinc/07/58/88/970075888.db2.gz DQQPUVDUQCDQMH-KRWDZBQOSA-N 0 3 400.862 3.533 20 30 HHEDHN C=CCn1c(SC[C@H](O)CN2CCc3ccccc3C2)nnc1-c1ccccc1 ZINC000145299502 970257744 /nfs/dbraw/zinc/25/77/44/970257744.db2.gz ATYDYJDVWFZRQN-OAQYLSRUSA-N 0 3 406.555 3.642 20 30 HHEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000409573700 973022954 /nfs/dbraw/zinc/02/29/54/973022954.db2.gz GEIMDCBMVFBDHY-OAQYLSRUSA-N 0 3 419.569 3.876 20 30 HHEDHN N#Cc1ccc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1Cl ZINC000410017408 973498720 /nfs/dbraw/zinc/49/87/20/973498720.db2.gz TZVNAULOKVVJBL-UHFFFAOYSA-N 0 3 411.937 3.936 20 30 HHEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000426176453 974287129 /nfs/dbraw/zinc/28/71/29/974287129.db2.gz MWHLXKCODAOJNV-LSDHHAIUSA-N 0 3 417.575 3.737 20 30 HHEDHN CC(C)(C)N1C[C@@H](c2nc(COCC(F)(F)C(F)F)no2)[C@H](C(F)(F)F)C1 ZINC000426571888 974536808 /nfs/dbraw/zinc/53/68/08/974536808.db2.gz WTZODBGZITXOLU-RKDXNWHRSA-N 0 3 407.330 3.863 20 30 HHEDHN CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000428526505 975819200 /nfs/dbraw/zinc/81/92/00/975819200.db2.gz IVTYNWOEOSTSLA-QFIPXVFZSA-N 0 3 413.525 3.810 20 30 HHEDHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000429385684 976659340 /nfs/dbraw/zinc/65/93/40/976659340.db2.gz IEVQPQFQNLYBMG-DEOSSOPVSA-N 0 3 424.633 3.994 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)c3cccc(SCC#N)c3)CC2)c1 ZINC000430776965 977750152 /nfs/dbraw/zinc/75/01/52/977750152.db2.gz RURDZGBFLLBRGW-UHFFFAOYSA-N 0 3 422.598 3.943 20 30 HHEDHN COc1ccc(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1OCCCC#N ZINC000430875977 977841547 /nfs/dbraw/zinc/84/15/47/977841547.db2.gz PLYRSTRPMZJQPT-HXUWFJFHSA-N 0 3 407.514 3.863 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2CCN([C@H](C)c3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431036257 977969547 /nfs/dbraw/zinc/96/95/47/977969547.db2.gz VXBPBTGOANSWCM-PTUXOGIPSA-N 0 3 403.526 3.883 20 30 HHEDHN COc1cnccc1N1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000432092520 978676770 /nfs/dbraw/zinc/67/67/70/978676770.db2.gz IMIAUVDBUDYCAG-MRXNPFEDSA-N 0 3 411.531 3.696 20 30 HHEDHN CC(C)(CNC(=O)CCCC(=O)Nc1ccccc1C#N)N1CCc2ccccc2C1 ZINC000432532589 978868743 /nfs/dbraw/zinc/86/87/43/978868743.db2.gz XCOUNFCDSZPSFD-UHFFFAOYSA-N 0 3 418.541 3.620 20 30 HHEDHN N#CCCC[C@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 ZINC000433009174 979040710 /nfs/dbraw/zinc/04/07/10/979040710.db2.gz GQHPPVCHLLGGTM-SFHVURJKSA-N 0 3 408.893 3.884 20 30 HHEDHN CC1CCN(c2ccc(CNCc3cn(CCC#N)nc3-c3ccncc3)cn2)CC1 ZINC000433311602 979229386 /nfs/dbraw/zinc/22/93/86/979229386.db2.gz MXXMJHZHMVQGJE-UHFFFAOYSA-N 0 3 415.545 3.780 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000434778520 980394341 /nfs/dbraw/zinc/39/43/41/980394341.db2.gz VEYSYALYBRQVJO-BGYRXZFFSA-N 0 3 421.541 3.756 20 30 HHEDHN Cc1cc(NC(=O)NCc2cccc(C#N)c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435516470 980913682 /nfs/dbraw/zinc/91/36/82/980913682.db2.gz LQIXXMABPDKBJC-QFIPXVFZSA-N 0 3 414.513 3.832 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436293345 981286517 /nfs/dbraw/zinc/28/65/17/981286517.db2.gz CVYJJLNULATJRC-BWAGFHJFSA-N 0 3 403.519 3.889 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000436307800 981290170 /nfs/dbraw/zinc/29/01/70/981290170.db2.gz LMPGOVJCKOBVFE-WTANOLMUSA-N 0 3 405.340 3.970 20 30 HHEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000448325718 981701176 /nfs/dbraw/zinc/70/11/76/981701176.db2.gz RVHRAICCVUBHQS-OAQYLSRUSA-N 0 3 420.513 3.526 20 30 HHEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000448327167 981701708 /nfs/dbraw/zinc/70/17/08/981701708.db2.gz HJEUWFOHIZCMNU-NRFANRHFSA-N 0 3 420.513 3.526 20 30 HHEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000448328165 981702137 /nfs/dbraw/zinc/70/21/37/981702137.db2.gz PEDSNUMVRKIMJT-NRFANRHFSA-N 0 3 420.513 3.526 20 30 HHEDHN CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000460211566 981986504 /nfs/dbraw/zinc/98/65/04/981986504.db2.gz NKULBVDTHCYPSH-OALUTQOASA-N 0 3 400.530 3.936 20 30 HHEDHN CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000460272615 982048315 /nfs/dbraw/zinc/04/83/15/982048315.db2.gz ZQGMDVCAZHCCSY-OALUTQOASA-N 0 3 400.530 3.936 20 30 HHEDHN CC(C)Cn1c(-c2ccoc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460862348 982606690 /nfs/dbraw/zinc/60/66/90/982606690.db2.gz UYSOXGBZCQRIPH-UHFFFAOYSA-N 0 3 404.518 3.778 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460881653 982620771 /nfs/dbraw/zinc/62/07/71/982620771.db2.gz ORARAOMBEPGBQJ-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN CCOc1ccc([C@@H]2C[C@H]2NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000438337836 982731141 /nfs/dbraw/zinc/73/11/41/982731141.db2.gz HYAUKPQDPYZROG-XZOQPEGZSA-N 0 3 406.530 3.586 20 30 HHEDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000438468564 982819566 /nfs/dbraw/zinc/81/95/66/982819566.db2.gz SULLINNBZODXEH-UHFFFAOYSA-N 0 3 409.511 3.996 20 30 HHEDHN CCN1CCN(Cc2ccc(CNC(=O)N[C@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000438851632 983118268 /nfs/dbraw/zinc/11/82/68/983118268.db2.gz ZARCHURTEJRILR-XMMPIXPASA-N 0 3 419.573 3.668 20 30 HHEDHN CN(C)CCN(Cc1cccs1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000439210632 983312172 /nfs/dbraw/zinc/31/21/72/983312172.db2.gz GKWFDIWZRDXBGL-UHFFFAOYSA-N 0 3 409.477 3.892 20 30 HHEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439731729 983518288 /nfs/dbraw/zinc/51/82/88/983518288.db2.gz KPVJLFFORJVELH-FDDCHVKYSA-N 0 3 406.530 3.698 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(F)cc1Br ZINC000440793941 983908945 /nfs/dbraw/zinc/90/89/45/983908945.db2.gz XZQAHALVZSYNRG-UHFFFAOYSA-N 0 3 422.273 3.803 20 30 HHEDHN CC[C@@]1(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)OCCc2ccccc21 ZINC000462158282 985132767 /nfs/dbraw/zinc/13/27/67/985132767.db2.gz VPCQGSCZQMXECK-VWLOTQADSA-N 0 3 420.557 3.510 20 30 HHEDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000462486093 985440690 /nfs/dbraw/zinc/44/06/90/985440690.db2.gz QAJATGVYUJIUIP-NRFANRHFSA-N 0 3 408.502 3.626 20 30 HHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000443673942 985881412 /nfs/dbraw/zinc/88/14/12/985881412.db2.gz IQVLZWIYRZZVRM-HOTGVXAUSA-N 0 3 414.468 3.889 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000443675215 985884355 /nfs/dbraw/zinc/88/43/55/985884355.db2.gz QXRKDYWVSYFODA-KDURUIRLSA-N 0 3 406.530 3.921 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000468334890 986031128 /nfs/dbraw/zinc/03/11/28/986031128.db2.gz YLNUAPVYUJPEJR-CQSZACIVSA-N 0 3 410.356 3.858 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000463118826 986083519 /nfs/dbraw/zinc/08/35/19/986083519.db2.gz FCUAEEDANXMQPM-UHFFFAOYSA-N 0 3 406.313 3.834 20 30 HHEDHN Cc1c(Br)cccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000463485333 986460614 /nfs/dbraw/zinc/46/06/14/986460614.db2.gz SRYWMQGRXHOAII-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)cc1 ZINC000469472749 987157208 /nfs/dbraw/zinc/15/72/08/987157208.db2.gz PSVFAVXRTHOPPO-QFIPXVFZSA-N 0 3 408.546 3.881 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000471903430 990072875 /nfs/dbraw/zinc/07/28/75/990072875.db2.gz SKGMNBTVBUZSMA-UHFFFAOYSA-N 0 3 422.920 3.993 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C(=O)OC)s1 ZINC000466154798 991340563 /nfs/dbraw/zinc/34/05/63/991340563.db2.gz RXGIKLZXEYZUKQ-UHFFFAOYSA-N 0 3 406.577 3.633 20 30 HHEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000466932806 992244670 /nfs/dbraw/zinc/24/46/70/992244670.db2.gz CXORULRFKSOXKC-ACJLOTCBSA-N 0 3 410.331 3.769 20 30 HHEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1Br ZINC000473597905 994477714 /nfs/dbraw/zinc/47/77/14/994477714.db2.gz NQTPSIPPNDHJRH-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000473654839 994540464 /nfs/dbraw/zinc/54/04/64/994540464.db2.gz URBVXUIHDIZGSM-IBGZPJMESA-N 0 3 421.545 3.807 20 30 HHEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473820952 994749743 /nfs/dbraw/zinc/74/97/43/994749743.db2.gz QGAUACYAALGCML-UHFFFAOYSA-N 0 3 403.530 3.920 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(I)ccc2C)CC1 ZINC000481978859 994873258 /nfs/dbraw/zinc/87/32/58/994873258.db2.gz RSDCTVDLUYZEJU-UHFFFAOYSA-N 0 3 413.303 3.762 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)cc2I)CC1 ZINC000474145137 995125261 /nfs/dbraw/zinc/12/52/61/995125261.db2.gz OSDGBFGMWJRDMN-UHFFFAOYSA-N 0 3 419.694 3.717 20 30 HHEDHN CC(C)OCCN1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000474888060 995780068 /nfs/dbraw/zinc/78/00/68/995780068.db2.gz BYGMMEDEUKXWPR-UHFFFAOYSA-N 0 3 421.541 3.756 20 30 HHEDHN C=CCOc1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)cc1Cl ZINC000475091543 995916681 /nfs/dbraw/zinc/91/66/81/995916681.db2.gz CIQFWVUVIUEAOI-HKUYNNGSSA-N 0 3 406.933 3.683 20 30 HHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000483406821 996157451 /nfs/dbraw/zinc/15/74/51/996157451.db2.gz MOAKVCAXBOYFBD-AEFFLSMTSA-N 0 3 414.493 3.922 20 30 HHEDHN Cc1ccc(-n2cccn2)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000475634080 996265400 /nfs/dbraw/zinc/26/54/00/996265400.db2.gz ZKULRMSMQWTQPJ-UHFFFAOYSA-N 0 3 402.502 3.648 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1-c1ccccc1Cl ZINC000484119946 996580925 /nfs/dbraw/zinc/58/09/25/996580925.db2.gz VFUGLRHBIHSORO-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN C=CCN(CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)CC1CCCCC1 ZINC000484542772 996875681 /nfs/dbraw/zinc/87/56/81/996875681.db2.gz LVLMPRLQFYPHOT-UHFFFAOYSA-N 0 3 403.611 3.742 20 30 HHEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000477076876 997728980 /nfs/dbraw/zinc/72/89/80/997728980.db2.gz POYMVKJXRIYFRM-LOKFHWFJSA-N 0 3 403.935 3.971 20 30 HHEDHN CO[C@@H](C)c1nc(CN2CCCN(CCCOc3cccc(C#N)c3)CC2)cs1 ZINC000477274304 997952142 /nfs/dbraw/zinc/95/21/42/997952142.db2.gz YBLLRCUHQVNRGQ-SFHVURJKSA-N 0 3 414.575 3.699 20 30 HHEDHN C=C(C)[C@H](NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C)c1ccc(F)c(F)c1 ZINC000477665653 998378638 /nfs/dbraw/zinc/37/86/38/998378638.db2.gz SZQJHXVAACFWTK-FQEVSTJZSA-N 0 3 401.457 3.707 20 30 HHEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000477747447 998490051 /nfs/dbraw/zinc/49/00/51/998490051.db2.gz PKJMRBFHXDTKIZ-XMMPIXPASA-N 0 3 421.541 3.805 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000486233648 998665568 /nfs/dbraw/zinc/66/55/68/998665568.db2.gz PYFGKLMASJDFQA-GOSISDBHSA-N 0 3 400.592 3.970 20 30 HHEDHN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)CCN(C)C ZINC000486395674 998745683 /nfs/dbraw/zinc/74/56/83/998745683.db2.gz UOYXBFDUGQCFTO-UHFFFAOYSA-N 0 3 400.548 3.659 20 30 HHEDHN Cn1cc(CNCc2ccc(COC3CCOCC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000478300249 998873396 /nfs/dbraw/zinc/87/33/96/998873396.db2.gz FUOWCVBGRGHWOP-UHFFFAOYSA-N 0 3 416.525 3.944 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Br)c(C(=O)OC)c2C)CC1 ZINC000486761682 998928728 /nfs/dbraw/zinc/92/87/28/998928728.db2.gz LLAVBHRGZWIKRW-UHFFFAOYSA-N 0 3 424.339 3.706 20 30 HHEDHN Cc1c(Br)cccc1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000478703668 999097111 /nfs/dbraw/zinc/09/71/11/999097111.db2.gz MMVUITLSWNIFHT-UHFFFAOYSA-N 0 3 414.347 3.762 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H](C)O1 ZINC000478865379 999183043 /nfs/dbraw/zinc/18/30/43/999183043.db2.gz BVCSHDXFJWXONF-RTBURBONSA-N 0 3 407.514 3.970 20 30 HHEDHN CCCN(C)[C@@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1ccc(Cl)cc1 ZINC000478984140 999234224 /nfs/dbraw/zinc/23/42/24/999234224.db2.gz JWNVQLCKOXXPAM-SFHVURJKSA-N 0 3 402.930 3.963 20 30 HHEDHN CC(C)NC(=O)Nc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488461293 999493907 /nfs/dbraw/zinc/49/39/07/999493907.db2.gz INZICGRBFNQBBC-VGOFRKELSA-N 0 3 419.529 3.540 20 30 HHEDHN C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H](c1ccccc1)N(C)C ZINC000480297315 999765367 /nfs/dbraw/zinc/76/53/67/999765367.db2.gz UGMXUKBMWHFYSI-QVKFZJNVSA-N 0 3 406.465 3.696 20 30 HHEDHN CCCN(CCN1CCCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000480365168 999781365 /nfs/dbraw/zinc/78/13/65/999781365.db2.gz JQFYXIOHKKJAND-UHFFFAOYSA-N 0 3 400.914 3.737 20 30 HHEDHN C=CCn1c(SC[C@H](O)CN2CCc3ccccc3C2)nnc1-c1ccc(C)cc1 ZINC000480424215 999795412 /nfs/dbraw/zinc/79/54/12/999795412.db2.gz CVIJORWYPGPWSA-JOCHJYFZSA-N 0 3 420.582 3.951 20 30 HHEDHN CC1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c2ccccc2)CC1 ZINC000490355423 999943601 /nfs/dbraw/zinc/94/36/01/999943601.db2.gz SCUHDIAYJCURTE-NRFANRHFSA-N 0 3 424.932 3.740 20 30 HHEDHN C=CCN1CCC(N[C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491043198 1000038744 /nfs/dbraw/zinc/03/87/44/1000038744.db2.gz ZUVYTKQSNUKMBH-DEOSSOPVSA-N 0 3 412.599 3.982 20 30 HHEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000493047589 1000155563 /nfs/dbraw/zinc/15/55/63/1000155563.db2.gz PIOCHWGOINUMJN-UHFFFAOYSA-N 0 3 403.482 3.934 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOc1ccc2ccccc2c1 ZINC000504691147 1000328101 /nfs/dbraw/zinc/32/81/01/1000328101.db2.gz FNGKPIQKIVZHQA-UHFFFAOYSA-N 0 3 416.525 3.864 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)OC)c(Br)cc2C)CC1 ZINC000494169423 1000339478 /nfs/dbraw/zinc/33/94/78/1000339478.db2.gz GSXLTCJSCQEOCV-UHFFFAOYSA-N 0 3 424.339 3.706 20 30 HHEDHN CCOc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000505204320 1000617172 /nfs/dbraw/zinc/61/71/72/1000617172.db2.gz NIHCRWMXMXEONC-SFHVURJKSA-N 0 3 424.545 3.800 20 30 HHEDHN CN(CCC(=O)Nc1ccccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000505784982 1001022061 /nfs/dbraw/zinc/02/20/61/1001022061.db2.gz RRSOQPIIIRTFKE-ICSRJNTNSA-N 0 3 404.297 3.784 20 30 HHEDHN N#C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccccc1F ZINC000505934474 1001111650 /nfs/dbraw/zinc/11/16/50/1001111650.db2.gz ZXXJKDFSMZPSEZ-UYAOXDASSA-N 0 3 405.395 3.961 20 30 HHEDHN COCCc1nnc(-c2cccc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)c2)o1 ZINC000496057661 1001118518 /nfs/dbraw/zinc/11/85/18/1001118518.db2.gz ZRLYMLDRIYQNPS-HNNXBMFYSA-N 0 3 416.359 3.829 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)N(C)C)cc1 ZINC000506031610 1001176411 /nfs/dbraw/zinc/17/64/11/1001176411.db2.gz QPFLAWOXGMFREL-DEOSSOPVSA-N 0 3 422.548 3.895 20 30 HHEDHN C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H](c1ccccc1)N(C)C ZINC000496628869 1001206590 /nfs/dbraw/zinc/20/65/90/1001206590.db2.gz GAQCTVZKPUQGBI-KPDCDPCYSA-N 0 3 423.536 3.657 20 30 HHEDHN C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H](c1ccccc1)N(C)C ZINC000496628892 1001207260 /nfs/dbraw/zinc/20/72/60/1001207260.db2.gz GAQCTVZKPUQGBI-XTQVGHSUSA-N 0 3 423.536 3.657 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccc(OC)cc2)c2ccccc2OC)CC1 ZINC000506486190 1001435415 /nfs/dbraw/zinc/43/54/15/1001435415.db2.gz FGUWIWJBOHRYOB-HSZRJFAPSA-N 0 3 409.530 3.743 20 30 HHEDHN COc1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1OCCCC#N ZINC000506721763 1001505028 /nfs/dbraw/zinc/50/50/28/1001505028.db2.gz IDONPYDBIPBAAB-UHFFFAOYSA-N 0 3 421.541 3.906 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc2c(C)cccc2c(=O)[nH]1 ZINC000497926604 1001568274 /nfs/dbraw/zinc/56/82/74/1001568274.db2.gz CCSLICSQXVEUAT-UHFFFAOYSA-N 0 3 424.574 3.742 20 30 HHEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)cc2)CC1 ZINC000498028672 1001612723 /nfs/dbraw/zinc/61/27/23/1001612723.db2.gz RVJSONLMFVSLAL-UHFFFAOYSA-N 0 3 414.513 3.527 20 30 HHEDHN N#CCCn1cc(CN2CCN(CCc3cccs3)CC2)c(-c2ccccc2)n1 ZINC000507064393 1001787889 /nfs/dbraw/zinc/78/78/89/1001787889.db2.gz KKMCCUPNBUTXGG-UHFFFAOYSA-N 0 3 405.571 3.886 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCOc1ccc(F)cc1F ZINC000498375333 1001806524 /nfs/dbraw/zinc/80/65/24/1001806524.db2.gz OXSFPRWRJBXNOS-UHFFFAOYSA-N 0 3 401.457 3.586 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000498840343 1002225687 /nfs/dbraw/zinc/22/56/87/1002225687.db2.gz YJUDPPHYKWIOAS-OAQYLSRUSA-N 0 3 410.493 3.684 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)ccc1Br ZINC000499060622 1002443748 /nfs/dbraw/zinc/44/37/48/1002443748.db2.gz WMANBEDNLIEDMK-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN COCCN1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 ZINC000508276172 1002789357 /nfs/dbraw/zinc/78/93/57/1002789357.db2.gz SHCBUMIYPKSZII-UHFFFAOYSA-N 0 3 424.501 3.591 20 30 HHEDHN CCN(CC)[C@H](CNC(=O)Cc1noc(C)c1C#N)c1ccc(C(F)(F)F)cc1 ZINC000499677883 1003033246 /nfs/dbraw/zinc/03/32/46/1003033246.db2.gz BYEOHAGEDKSFPT-GOSISDBHSA-N 0 3 408.424 3.615 20 30 HHEDHN C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000508741614 1003179324 /nfs/dbraw/zinc/17/93/24/1003179324.db2.gz YNKSYIXDLCEYNV-UHFFFAOYSA-N 0 3 410.909 3.515 20 30 HHEDHN C=CCn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000508920699 1003358942 /nfs/dbraw/zinc/35/89/42/1003358942.db2.gz VUDMISKTWUDGLV-GHTZIAJQSA-N 0 3 423.565 3.675 20 30 HHEDHN Cc1ccc(C)n1-c1nc(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000508930212 1003376085 /nfs/dbraw/zinc/37/60/85/1003376085.db2.gz AYNIARCSJONNLU-UHFFFAOYSA-N 0 3 421.570 3.555 20 30 HHEDHN C=CCOc1c(Br)cc(CN[C@@H]2CC(=O)N3CCCC[C@H]23)cc1OCC ZINC000509420703 1003849051 /nfs/dbraw/zinc/84/90/51/1003849051.db2.gz ZQJGHXGQVDEDOZ-IAGOWNOFSA-N 0 3 423.351 3.656 20 30 HHEDHN CC[C@H](C)N[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000509570991 1003952264 /nfs/dbraw/zinc/95/22/64/1003952264.db2.gz RGFSYNRPSGHCHI-UWJYYQICSA-N 0 3 410.518 3.833 20 30 HHEDHN CCN1CCC[C@@H](CN(C)c2nc(C(F)(F)F)ccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000509626723 1003990201 /nfs/dbraw/zinc/99/02/01/1003990201.db2.gz UBLYWJJCJCYJQP-MAUKXSAKSA-N 0 3 406.456 3.615 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000512142958 1004053998 /nfs/dbraw/zinc/05/39/98/1004053998.db2.gz OYXJQGFEGAZCLT-KRWDZBQOSA-N 0 3 421.451 3.873 20 30 HHEDHN C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CCN1Cc1ccccc1 ZINC000500968681 1004085065 /nfs/dbraw/zinc/08/50/65/1004085065.db2.gz SHURYJZETZOSQV-LAUBAEHRSA-N 0 3 415.534 3.512 20 30 HHEDHN CC(C)CNC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000510162547 1004367424 /nfs/dbraw/zinc/36/74/24/1004367424.db2.gz XGECQSLDTMNAIE-UHFFFAOYSA-N 0 3 421.545 3.540 20 30 HHEDHN C=CCN1CCC(NC(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)CC1 ZINC000512637022 1004449606 /nfs/dbraw/zinc/44/96/06/1004449606.db2.gz QQNSDLIEJHDECP-UHFFFAOYSA-N 0 3 423.557 3.936 20 30 HHEDHN CCc1ccc(-c2nn(-c3ccccc3C)cc2CNCCn2cnc(C#N)n2)cc1 ZINC000512904051 1004671955 /nfs/dbraw/zinc/67/19/55/1004671955.db2.gz LRZKURBAOBKMGV-UHFFFAOYSA-N 0 3 411.513 3.663 20 30 HHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000501812957 1004752704 /nfs/dbraw/zinc/75/27/04/1004752704.db2.gz MOBSLGATCWYDIW-DEOSSOPVSA-N 0 3 419.550 3.790 20 30 HHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000501812958 1004752840 /nfs/dbraw/zinc/75/28/40/1004752840.db2.gz MOBSLGATCWYDIW-XMMPIXPASA-N 0 3 419.550 3.790 20 30 HHEDHN CN(C(=O)CN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)C1(C#N)CCCCC1 ZINC000513187642 1004851640 /nfs/dbraw/zinc/85/16/40/1004851640.db2.gz FAWGYXYZTKLNKG-HXUWFJFHSA-N 0 3 423.479 3.681 20 30 HHEDHN C[C@@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H](c1ccccc1)N(C)C ZINC000502677376 1005175471 /nfs/dbraw/zinc/17/54/71/1005175471.db2.gz FQIXRAIPZBZURA-BBGBUTGUSA-N 0 3 421.545 3.634 20 30 HHEDHN CCN1CC[C@H]2OCCN(C(=O)c3ccccc3Sc3ccccc3C#N)[C@H]2C1 ZINC000502726662 1005192539 /nfs/dbraw/zinc/19/25/39/1005192539.db2.gz OFTKGRQVJUIQTG-VQTJNVASSA-N 0 3 407.539 3.645 20 30 HHEDHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000514242082 1005329016 /nfs/dbraw/zinc/32/90/16/1005329016.db2.gz PVUNPPSOXGEBPW-HOCLYGCPSA-N 0 3 402.539 3.598 20 30 HHEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000514242080 1005329178 /nfs/dbraw/zinc/32/91/78/1005329178.db2.gz PVUNPPSOXGEBPW-GOEBONIOSA-N 0 3 402.539 3.598 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000503222488 1005371259 /nfs/dbraw/zinc/37/12/59/1005371259.db2.gz WNHGGTGFOSOBFZ-LJQANCHMSA-N 0 3 419.447 3.529 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Br)c1 ZINC000503375331 1005401702 /nfs/dbraw/zinc/40/17/02/1005401702.db2.gz KTKOTVGUTQWYQK-UHFFFAOYSA-N 0 3 401.308 3.916 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000531449966 1006204441 /nfs/dbraw/zinc/20/44/41/1006204441.db2.gz WPRWWQAVFJOMLD-ZHSNQQFMSA-N 0 3 407.514 3.873 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000515406895 1006444906 /nfs/dbraw/zinc/44/49/06/1006444906.db2.gz QUSPNNJTKNXFRA-NRFANRHFSA-N 0 3 407.514 3.507 20 30 HHEDHN Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(OC(C)C)c1 ZINC000532296008 1006778545 /nfs/dbraw/zinc/77/85/45/1006778545.db2.gz PEJIYFQPANCPSW-UHFFFAOYSA-N 0 3 408.546 3.927 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1-c1ccc(C)cc1 ZINC000538535049 1006796864 /nfs/dbraw/zinc/79/68/64/1006796864.db2.gz OSERQKUZALYBKG-UHFFFAOYSA-N 0 3 401.514 3.565 20 30 HHEDHN CC(C)Oc1ccc([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)N(C)C)cc1 ZINC000516107338 1006887162 /nfs/dbraw/zinc/88/71/62/1006887162.db2.gz XWRYZCWOOCOATF-JOCHJYFZSA-N 0 3 409.505 3.935 20 30 HHEDHN Cc1cccc(C)c1OC[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000516227118 1006961366 /nfs/dbraw/zinc/96/13/66/1006961366.db2.gz IMYFEJBDPURAEG-HXUWFJFHSA-N 0 3 408.546 3.716 20 30 HHEDHN C=C(C)COc1cc(CN2CCC(C(=O)NCC(F)(F)F)CC2)ccc1OC ZINC000535077186 1007093719 /nfs/dbraw/zinc/09/37/19/1007093719.db2.gz SAPNVILVNXBKII-UHFFFAOYSA-N 0 3 400.441 3.541 20 30 HHEDHN COC(=O)COc1ccc(C(=O)C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000516713661 1007250961 /nfs/dbraw/zinc/25/09/61/1007250961.db2.gz GBYHNEDXHXGMAC-GOSISDBHSA-N 0 3 422.462 3.861 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCCN(Cc2ccccc2)CC1 ZINC000532907945 1007283215 /nfs/dbraw/zinc/28/32/15/1007283215.db2.gz ONXTXXAWYPLPOW-NRFANRHFSA-N 0 3 420.557 3.538 20 30 HHEDHN CN(CCC(=O)Nc1sccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000532927032 1007299704 /nfs/dbraw/zinc/29/97/04/1007299704.db2.gz GSSRYKDCUVFYIM-WBVHZDCISA-N 0 3 410.326 3.845 20 30 HHEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535465542 1007529163 /nfs/dbraw/zinc/52/91/63/1007529163.db2.gz ANYBOZFCWWDYOR-HRAATJIYSA-N 0 3 403.548 3.539 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)N(CCN(C)C)C2CCCC2)nnc1-c1ccco1 ZINC000533198542 1007531293 /nfs/dbraw/zinc/53/12/93/1007531293.db2.gz SRMATCLRDDYEEL-UHFFFAOYSA-N 0 3 417.579 3.539 20 30 HHEDHN COc1ccc(C[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2)cc1OC ZINC000539258902 1007553387 /nfs/dbraw/zinc/55/33/87/1007553387.db2.gz JBSPZJRDVGBKRM-YKSBVNFPSA-N 0 3 409.530 3.632 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000539259272 1007554380 /nfs/dbraw/zinc/55/43/80/1007554380.db2.gz BPOUFGLVQLUUJB-OALUTQOASA-N 0 3 417.513 3.867 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000517320525 1007564260 /nfs/dbraw/zinc/56/42/60/1007564260.db2.gz FBUOJPXPGNTXPF-UHFFFAOYSA-N 0 3 411.493 3.869 20 30 HHEDHN CC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000539276976 1007571254 /nfs/dbraw/zinc/57/12/54/1007571254.db2.gz SEEIURSXXBKFSD-OXQOHEQNSA-N 0 3 411.477 3.973 20 30 HHEDHN Cc1ccccc1[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000539363564 1007666682 /nfs/dbraw/zinc/66/66/82/1007666682.db2.gz OEMDVCDHHCHPGW-SFTDATJTSA-N 0 3 408.571 3.603 20 30 HHEDHN N#Cc1cccc(OCCN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1 ZINC000533530599 1007851878 /nfs/dbraw/zinc/85/18/78/1007851878.db2.gz QWHATWHWWLRDCE-UHFFFAOYSA-N 0 3 403.526 3.840 20 30 HHEDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)C2)CC1 ZINC000539797930 1008102273 /nfs/dbraw/zinc/10/22/73/1008102273.db2.gz FIYVHZJOIGZDMK-NRFANRHFSA-N 0 3 418.541 3.591 20 30 HHEDHN C=CCN(Cc1ccc(Oc2cnccn2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831183 1008124310 /nfs/dbraw/zinc/12/43/10/1008124310.db2.gz AXEJBJYURMNIQH-GOSISDBHSA-N 0 3 413.485 3.994 20 30 HHEDHN CC[C@H](CNC(=O)N(C)CCOCc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000518430209 1008302048 /nfs/dbraw/zinc/30/20/48/1008302048.db2.gz OEFRQEFWEDCLOH-XMMPIXPASA-N 0 3 420.557 3.553 20 30 HHEDHN C=CCN1CCC(NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000518501155 1008329580 /nfs/dbraw/zinc/32/95/80/1008329580.db2.gz WLBYZFZWEAQCIM-UHFFFAOYSA-N 0 3 417.351 3.632 20 30 HHEDHN O=C(CN[C@@H](c1ccccc1)[C@@H]1CCOC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000540389580 1008412774 /nfs/dbraw/zinc/41/27/74/1008412774.db2.gz PBXOVXOHPMDTEM-KNQAVFIVSA-N 0 3 416.443 3.541 20 30 HHEDHN O=C(CN[C@@H](c1ccccc1)[C@H]1CCOC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000540389582 1008412828 /nfs/dbraw/zinc/41/28/28/1008412828.db2.gz PBXOVXOHPMDTEM-UGKGYDQZSA-N 0 3 416.443 3.541 20 30 HHEDHN C=CCOc1cccnc1C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000540423970 1008427159 /nfs/dbraw/zinc/42/71/59/1008427159.db2.gz NZWUXGOMWPPSEB-HXUWFJFHSA-N 0 3 417.513 3.851 20 30 HHEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000540554411 1008479131 /nfs/dbraw/zinc/47/91/31/1008479131.db2.gz VWPMDCJJSYFGCG-NOZRDPDXSA-N 0 3 420.532 3.666 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N1CCC[C@@H](C)C1 ZINC000519088805 1008526631 /nfs/dbraw/zinc/52/66/31/1008526631.db2.gz ROFXROYBGGXYHF-MSOLQXFVSA-N 0 3 420.513 3.526 20 30 HHEDHN CS[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1N(C)C ZINC000545421711 1008530869 /nfs/dbraw/zinc/53/08/69/1008530869.db2.gz CLEYIGAWBVTAFE-FGZHOGPDSA-N 0 3 424.570 3.841 20 30 HHEDHN CN(C(=O)c1cccc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1)c1ccccc1 ZINC000519252717 1008658850 /nfs/dbraw/zinc/65/88/50/1008658850.db2.gz QPIXZTMUIZUKQF-FQEVSTJZSA-N 0 3 413.481 3.771 20 30 HHEDHN COc1cccc([C@H]2[C@@H](NCC(=O)Nc3cc(Cl)ccc3C#N)CCN2C2CC2)c1 ZINC000549116458 1008684066 /nfs/dbraw/zinc/68/40/66/1008684066.db2.gz PLTXVGYLYSFJFE-REWPJTCUSA-N 0 3 424.932 3.726 20 30 HHEDHN COc1cc(OC)cc(C2(F)CCN(CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000549118255 1008684955 /nfs/dbraw/zinc/68/49/55/1008684955.db2.gz DYYHMYORDXGLDJ-UHFFFAOYSA-N 0 3 417.506 3.926 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000543120251 1008694301 /nfs/dbraw/zinc/69/43/01/1008694301.db2.gz BYPZKPLJPSESPI-UHFFFAOYSA-N 0 3 412.921 3.599 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000519283665 1008695737 /nfs/dbraw/zinc/69/57/37/1008695737.db2.gz WAYLFHHIBRSODZ-UHFFFAOYSA-N 0 3 405.489 3.610 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC1 ZINC000519287401 1008698893 /nfs/dbraw/zinc/69/88/93/1008698893.db2.gz BUYSIAAOWNEVER-UHFFFAOYSA-N 0 3 404.408 3.523 20 30 HHEDHN N#CCCn1cc(/C=C\c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)c2ccccc21 ZINC000545847782 1008934340 /nfs/dbraw/zinc/93/43/40/1008934340.db2.gz ILNXZLCUYDMLQJ-CLUNNQHJSA-N 0 3 400.486 3.964 20 30 HHEDHN C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000519783701 1009004259 /nfs/dbraw/zinc/00/42/59/1009004259.db2.gz AOUHSSFVPODRCG-YJBOKZPZSA-N 0 3 401.942 3.930 20 30 HHEDHN CS[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H]1N(C)C ZINC000546128272 1009152846 /nfs/dbraw/zinc/15/28/46/1009152846.db2.gz NYYCYZZPEISWHB-FCHUYYIVSA-N 0 3 424.570 3.841 20 30 HHEDHN N#Cc1cccc(-c2nnc(N3CCN(C4CCCC4)CC3)n2Cc2ccccc2)c1 ZINC000549540927 1009157356 /nfs/dbraw/zinc/15/73/56/1009157356.db2.gz YTBBSUPFXXVVEG-UHFFFAOYSA-N 0 3 412.541 3.930 20 30 HHEDHN C=C(C)Cn1c(CC(C)C)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549655382 1009283063 /nfs/dbraw/zinc/28/30/63/1009283063.db2.gz ULMLVWKGCIEDJW-BGYRXZFFSA-N 0 3 403.615 3.768 20 30 HHEDHN C=CCN(Cc1cc(Cl)c2c(c1)OCCO2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195011 1009334429 /nfs/dbraw/zinc/33/44/29/1009334429.db2.gz PJOKGJFBQMJQRS-OAHLLOKOSA-N 0 3 411.893 3.836 20 30 HHEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000543889829 1009468349 /nfs/dbraw/zinc/46/83/49/1009468349.db2.gz VPRYEXSKJWWWRZ-UHFFFAOYSA-N 0 3 412.494 3.540 20 30 HHEDHN CC(=O)Nc1cccc([C@H](C)NCC#CCN[C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000551396561 1010560169 /nfs/dbraw/zinc/56/01/69/1010560169.db2.gz UDWRAKDKUQIPJO-ROUUACIJSA-N 0 3 406.530 3.608 20 30 HHEDHN N#Cc1ccc2ncc(CNC3(c4ccc(Br)cc4)CCOCC3)n2c1 ZINC000551529900 1010641067 /nfs/dbraw/zinc/64/10/67/1010641067.db2.gz KCXXJRVSBUSUQG-UHFFFAOYSA-N 0 3 411.303 3.764 20 30 HHEDHN CC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000540591689 1011248668 /nfs/dbraw/zinc/24/86/68/1011248668.db2.gz KJZZEPXMEQKETR-GOTSBHOMSA-N 0 3 408.521 3.584 20 30 HHEDHN CN1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000536170867 1011302065 /nfs/dbraw/zinc/30/20/65/1011302065.db2.gz VTBYYNLYZJZGGP-PMACEKPBSA-N 0 3 401.432 3.802 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC000540981646 1011616466 /nfs/dbraw/zinc/61/64/66/1011616466.db2.gz MZFGEZQHINOATC-NRFANRHFSA-N 0 3 418.476 3.842 20 30 HHEDHN COC(=O)C1CCN(C(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541084369 1011725630 /nfs/dbraw/zinc/72/56/30/1011725630.db2.gz GWVMQEMYYJPJLA-ZWKOTPCHSA-N 0 3 419.525 3.676 20 30 HHEDHN CC1CCC(N2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CC2)CC1 ZINC000541096916 1011742638 /nfs/dbraw/zinc/74/26/38/1011742638.db2.gz DAFSARKDRNXUSX-UHFFFAOYSA-N 0 3 410.497 3.611 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)N(C)C)cc1 ZINC000541104445 1011751746 /nfs/dbraw/zinc/75/17/46/1011751746.db2.gz BTFFUKJJUIMTPS-OAQYLSRUSA-N 0 3 420.492 3.870 20 30 HHEDHN N#Cc1cc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)ccc1OCC(F)(F)F ZINC000523337343 1011812626 /nfs/dbraw/zinc/81/26/26/1011812626.db2.gz VGFDGLSUSQDGPC-INIZCTEOSA-N 0 3 418.419 3.745 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000523343188 1011822540 /nfs/dbraw/zinc/82/25/40/1011822540.db2.gz QXWTUUFZLGUIMQ-UHFFFAOYSA-N 0 3 408.521 3.892 20 30 HHEDHN C=CCc1cc(CN2CCCN(c3cc(OC)cc(OC)c3)CC2)cc(OC)c1O ZINC000536708837 1011880547 /nfs/dbraw/zinc/88/05/47/1011880547.db2.gz WWNLWKGTYJBSQM-UHFFFAOYSA-N 0 3 412.530 3.859 20 30 HHEDHN CCc1cccc2c1OCC[C@@H]2NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000523626615 1012207765 /nfs/dbraw/zinc/20/77/65/1012207765.db2.gz KRNFVJAVSJFYBE-QFIPXVFZSA-N 0 3 406.530 3.718 20 30 HHEDHN COC(=O)C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCC1 ZINC000541601438 1012397465 /nfs/dbraw/zinc/39/74/65/1012397465.db2.gz CLLVLPPZPNBWFE-IBGZPJMESA-N 0 3 405.926 3.688 20 30 HHEDHN C[S@@](=O)C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000537160451 1012558161 /nfs/dbraw/zinc/55/81/61/1012558161.db2.gz RLTSUUOEZBPTLE-KWMCUTETSA-N 0 3 415.584 3.537 20 30 HHEDHN Cc1cccc([C@H](C)NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1C ZINC000537288028 1012745390 /nfs/dbraw/zinc/74/53/90/1012745390.db2.gz ZTTPKYNQMPOPMT-CVDCTZTESA-N 0 3 408.521 3.502 20 30 HHEDHN C[C@@H](NCc1cnc(N2CCN(C)CC2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542019532 1012910743 /nfs/dbraw/zinc/91/07/43/1012910743.db2.gz XECKSRPFWOYZSP-LJQANCHMSA-N 0 3 412.541 3.618 20 30 HHEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000524130438 1012913501 /nfs/dbraw/zinc/91/35/01/1012913501.db2.gz CIJGHAATEUJKGP-UHFFFAOYSA-N 0 3 403.482 3.934 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)n1C[C@@H]1CCCOC1 ZINC001625997216 1072533031 /nfs/dbraw/zinc/53/30/31/1072533031.db2.gz TWVOQGLIUJFGBE-QHCPKHFHSA-N 0 3 422.573 3.607 20 30 HHEDHN N#Cc1cccc(N2CC[NH+](Cc3c([O-])ccc4cc(Br)ccc43)CC2)n1 ZINC000760552405 1072573896 /nfs/dbraw/zinc/57/38/96/1072573896.db2.gz RRKWUHGJDGHBRZ-UHFFFAOYSA-N 0 3 423.314 3.897 20 30 HHEDHN CC(C)(C#N)CCS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000571603603 1072677672 /nfs/dbraw/zinc/67/76/72/1072677672.db2.gz UTRUKLGWNWDERA-FCHUYYIVSA-N 0 3 411.571 3.514 20 30 HHEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000555105805 1073158276 /nfs/dbraw/zinc/15/82/76/1073158276.db2.gz FOWFOCGLBDXACE-JOCHJYFZSA-N 0 3 409.505 3.585 20 30 HHEDHN C[C@H]1[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCN1Cc1ccccc1 ZINC000572196101 1073225631 /nfs/dbraw/zinc/22/56/31/1073225631.db2.gz JQPNKAOWOMSLLH-YADARESESA-N 0 3 418.541 3.774 20 30 HHEDHN C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000555240588 1073284432 /nfs/dbraw/zinc/28/44/32/1073284432.db2.gz QTJFQJNUHMHTGS-UHFFFAOYSA-N 0 3 411.550 3.506 20 30 HHEDHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000590541854 1073885823 /nfs/dbraw/zinc/88/58/23/1073885823.db2.gz WJABCFQHDHSDLO-OAQYLSRUSA-N 0 3 417.619 3.511 20 30 HHEDHN C=CCOc1cccc(NC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)c1 ZINC000591502306 1074349875 /nfs/dbraw/zinc/34/98/75/1074349875.db2.gz XFDCHOFFEVFQOI-UHFFFAOYSA-N 0 3 408.546 3.533 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)CC1 ZINC000592293873 1074717596 /nfs/dbraw/zinc/71/75/96/1074717596.db2.gz QABXQDRNVQELIR-UHFFFAOYSA-N 0 3 410.518 3.722 20 30 HHEDHN Cc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164897860 721513167 /nfs/dbraw/zinc/51/31/67/721513167.db2.gz GNZKIZBDXJVBIU-WMZOPIPTSA-N 0 3 400.885 3.705 20 30 HHEDHN COc1ccc(CN2CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)cc1 ZINC000301371236 970891650 /nfs/dbraw/zinc/89/16/50/970891650.db2.gz VJLNPONHMJJCKH-UHFFFAOYSA-N 0 3 417.469 3.736 20 30 HHEDHN C[C@H]1CN(CCC2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)C[C@H](C)O1 ZINC000301517300 970964168 /nfs/dbraw/zinc/96/41/68/970964168.db2.gz CFJMXBNMCXCJIG-IRXDYDNUSA-N 0 3 423.517 3.730 20 30 HHEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000303060627 971482650 /nfs/dbraw/zinc/48/26/50/971482650.db2.gz LUDKZSJFCDSSHL-OAQYLSRUSA-N 0 3 411.343 4.000 20 30 HHEDHN CN(Cc1cccc(C#N)c1)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000303101121 971503353 /nfs/dbraw/zinc/50/33/53/971503353.db2.gz HTAAVGDAIDSSMC-NRFANRHFSA-N 0 3 401.432 3.971 20 30 HHEDHN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000303189261 971551043 /nfs/dbraw/zinc/55/10/43/971551043.db2.gz WEBDLFVAVQUANA-MRXNPFEDSA-N 0 3 419.447 3.935 20 30 HHEDHN C=CCN1CCC(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 ZINC000303345885 971646668 /nfs/dbraw/zinc/64/66/68/971646668.db2.gz ZVFXIBWIAOHYTF-UHFFFAOYSA-N 0 3 418.544 3.891 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(CCO)C2CCCCC2)c1C#N ZINC000303509845 971809866 /nfs/dbraw/zinc/80/98/66/971809866.db2.gz SRRFIMGMZMPMBP-UHFFFAOYSA-N 0 3 408.546 3.590 20 30 HHEDHN CCN1CCN(c2ccc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000303926231 972502909 /nfs/dbraw/zinc/50/29/09/972502909.db2.gz ZIYNPHSBKRFYEK-UHFFFAOYSA-N 0 3 415.459 3.629 20 30 HHEDHN C=CCn1c(SCC(=O)NC[C@@H](c2ccccc2)N(C)C)nnc1-c1ccccc1 ZINC000004285908 960570736 /nfs/dbraw/zinc/57/07/36/960570736.db2.gz DIGGOZSVZJNSIW-FQEVSTJZSA-N 0 3 421.570 3.642 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000542308548 1013266174 /nfs/dbraw/zinc/26/61/74/1013266174.db2.gz GHSZSIHGXIWVMO-GGAORHGYSA-N 0 3 410.493 3.591 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000553325831 1013276304 /nfs/dbraw/zinc/27/63/04/1013276304.db2.gz YDJYBPLWHUPVDE-NRFANRHFSA-N 0 3 417.981 3.844 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000553334498 1013281393 /nfs/dbraw/zinc/28/13/93/1013281393.db2.gz PNBAXDAYDCJEJS-RDPSFJRHSA-N 0 3 407.514 3.699 20 30 HHEDHN Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1-c1nnnn1C1CC1 ZINC000542463717 1013411528 /nfs/dbraw/zinc/41/15/28/1013411528.db2.gz LTGHEOPFXJOWAO-UHFFFAOYSA-N 0 3 413.529 3.932 20 30 HHEDHN Cc1ccccc1CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000022919198 963740215 /nfs/dbraw/zinc/74/02/15/963740215.db2.gz CANRYAXJTTZGOQ-UHFFFAOYSA-N 0 3 422.598 3.953 20 30 HHEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000025867648 964378092 /nfs/dbraw/zinc/37/80/92/964378092.db2.gz HSPAUZAVJOOGBJ-RTBURBONSA-N 0 3 407.539 3.982 20 30 HHEDHN N#CCc1ccc(OC[C@H](O)CN(Cc2cccc(Br)c2)C2CC2)cc1 ZINC000051423813 964568660 /nfs/dbraw/zinc/56/86/60/964568660.db2.gz ZSPMSRAIVGKWSM-HXUWFJFHSA-N 0 3 415.331 3.919 20 30 HHEDHN C=CCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)cc1OC ZINC000029376485 965364235 /nfs/dbraw/zinc/36/42/35/965364235.db2.gz ZGAKZKYPQSVEGN-UHFFFAOYSA-N 0 3 409.530 3.963 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000060504984 966178465 /nfs/dbraw/zinc/17/84/65/966178465.db2.gz YMLVZQZBEZWEGB-UHFFFAOYSA-N 0 3 421.541 3.679 20 30 HHEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1cccc(C#N)c1 ZINC000056622282 966398595 /nfs/dbraw/zinc/39/85/95/966398595.db2.gz DSSZLASESXLCJB-UHFFFAOYSA-N 0 3 415.335 3.594 20 30 HHEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)cc1Br)C(C)C ZINC000062205203 966623276 /nfs/dbraw/zinc/62/32/76/966623276.db2.gz YVPBZOJGGCXCRF-GOSISDBHSA-N 0 3 422.367 3.511 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(Br)c1 ZINC000062368218 966650326 /nfs/dbraw/zinc/65/03/26/966650326.db2.gz ZXGSXGGBAHDPRQ-UHFFFAOYSA-N 0 3 401.308 3.916 20 30 HHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC#Cc1ccccc1 ZINC000062477388 966684587 /nfs/dbraw/zinc/68/45/87/966684587.db2.gz SQOJSYIBTRJJDH-UHFFFAOYSA-N 0 3 403.448 3.830 20 30 HHEDHN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538159168 1013720991 /nfs/dbraw/zinc/72/09/91/1013720991.db2.gz MJSMMGWGAQEMDD-HUUCEWRRSA-N 0 3 405.527 3.972 20 30 HHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000046613380 967882569 /nfs/dbraw/zinc/88/25/69/967882569.db2.gz HYVNILYTLYGYEX-INIZCTEOSA-N 0 3 416.472 3.994 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000047283497 968121103 /nfs/dbraw/zinc/12/11/03/968121103.db2.gz FJFINSTZVZCZMF-INIZCTEOSA-N 0 3 406.530 3.667 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000047283497 968121105 /nfs/dbraw/zinc/12/11/05/968121105.db2.gz FJFINSTZVZCZMF-INIZCTEOSA-N 0 3 406.530 3.667 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000538237043 1013785343 /nfs/dbraw/zinc/78/53/43/1013785343.db2.gz HILBSOQOYRFOOV-MOPGFXCFSA-N 0 3 417.513 3.867 20 30 HHEDHN C=CCC[C@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000538259797 1013801328 /nfs/dbraw/zinc/80/13/28/1013801328.db2.gz PBRUTKVBDOQKCP-IBGZPJMESA-N 0 3 409.486 3.793 20 30 HHEDHN C=CCC[C@H](NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000538261596 1013803240 /nfs/dbraw/zinc/80/32/40/1013803240.db2.gz UYXCYGLWTBRNFV-QHCPKHFHSA-N 0 3 405.542 3.836 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1-c1cccc(Cl)c1 ZINC000065930597 968720522 /nfs/dbraw/zinc/72/05/22/968720522.db2.gz DIFLXYQQUICSBG-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN Cc1oc(-c2ccccc2)nc1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930754 968720873 /nfs/dbraw/zinc/72/08/73/968720873.db2.gz OHSWFIXRFZHNDQ-UHFFFAOYSA-N 0 3 402.498 3.655 20 30 HHEDHN COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000072006680 968928327 /nfs/dbraw/zinc/92/83/27/968928327.db2.gz ZSBRYDXOCSSJQR-OAQYLSRUSA-N 0 3 407.514 3.535 20 30 HHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000097261688 969112157 /nfs/dbraw/zinc/11/21/57/969112157.db2.gz TXCQKDKAWXUUSW-KZULUSFZSA-N 0 3 410.886 3.906 20 30 HHEDHN CCCN(CC(=O)Nc1sccc1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000110285094 969648199 /nfs/dbraw/zinc/64/81/99/969648199.db2.gz KDJVQXCFJVVFPL-UHFFFAOYSA-N 0 3 410.543 3.575 20 30 HHEDHN N#CCCN(C(=O)CCC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000110945902 969745380 /nfs/dbraw/zinc/74/53/80/969745380.db2.gz ZBZWPZSTORRZPY-FQEVSTJZSA-N 0 3 424.570 3.728 20 30 HHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000195652824 969934555 /nfs/dbraw/zinc/93/45/55/969934555.db2.gz CTVTYJNKAARAJN-JQWIXIFHSA-N 0 3 422.234 3.915 20 30 HHEDHN COc1cc(C#N)ccc1OCC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000117271919 969945167 /nfs/dbraw/zinc/94/51/67/969945167.db2.gz YSISRQKRCNHGOE-HSZRJFAPSA-N 0 3 421.541 3.535 20 30 HHEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)COCCc1ccccc1 ZINC000138686528 970007825 /nfs/dbraw/zinc/00/78/25/970007825.db2.gz MVWRSKOBRXHEGE-MRXNPFEDSA-N 0 3 400.862 3.564 20 30 HHEDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(N(C)CCC#N)cc3)cc2)C[C@@H](C)O1 ZINC000237658280 970331398 /nfs/dbraw/zinc/33/13/98/970331398.db2.gz CKGHBMBGJZWAAW-WOJBJXKFSA-N 0 3 420.557 3.576 20 30 HHEDHN C#CCCOc1ccc(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000238031528 970421822 /nfs/dbraw/zinc/42/18/22/970421822.db2.gz IIKNIRMXWHYOQU-UHFFFAOYSA-N 0 3 412.555 3.553 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCCC[C@@H]1C ZINC000425940246 974049835 /nfs/dbraw/zinc/04/98/35/974049835.db2.gz ASKPBEOSEPMBHP-ZWKOTPCHSA-N 0 3 420.513 3.668 20 30 HHEDHN C[C@H]1CN(CCC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000426158738 974272676 /nfs/dbraw/zinc/27/26/76/974272676.db2.gz DYXNAGRLNRLTNP-HOTGVXAUSA-N 0 3 404.942 3.955 20 30 HHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CNc1cccc(C#N)c1 ZINC000426436125 974447424 /nfs/dbraw/zinc/44/74/24/974447424.db2.gz PECWUFIPUTYEIP-UHFFFAOYSA-N 0 3 404.436 3.579 20 30 HHEDHN COC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000426610704 974561828 /nfs/dbraw/zinc/56/18/28/974561828.db2.gz FVVUVWQUVWYGRG-OAQYLSRUSA-N 0 3 414.937 3.673 20 30 HHEDHN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN[C@@H](C)Cn3cccn3)sc2C1 ZINC000427003831 974815890 /nfs/dbraw/zinc/81/58/90/974815890.db2.gz ASZJGHPHGQDCGR-HOTGVXAUSA-N 0 3 413.591 3.974 20 30 HHEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429036645 976321045 /nfs/dbraw/zinc/32/10/45/976321045.db2.gz TWTXWUTWUXHRHE-JOCHJYFZSA-N 0 3 411.521 3.814 20 30 HHEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429036646 976321324 /nfs/dbraw/zinc/32/13/24/976321324.db2.gz TWTXWUTWUXHRHE-QFIPXVFZSA-N 0 3 411.521 3.814 20 30 HHEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000429055283 976341988 /nfs/dbraw/zinc/34/19/88/976341988.db2.gz STLDZOPLRKOAKV-QZTJIDSGSA-N 0 3 414.550 3.700 20 30 HHEDHN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN(C1CCC1)C1CCC1)CCCC2 ZINC000429125810 976412161 /nfs/dbraw/zinc/41/21/61/976412161.db2.gz FWCSWFCBIZJAIV-IBGZPJMESA-N 0 3 410.562 3.763 20 30 HHEDHN CCOC(=O)c1cc(COC)cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000430229994 977406098 /nfs/dbraw/zinc/40/60/98/977406098.db2.gz XFOWPKQUARUYBF-UHFFFAOYSA-N 0 3 407.514 3.958 20 30 HHEDHN C=CCN1C(=O)N([C@H]2CCCN(Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430931380 977895984 /nfs/dbraw/zinc/89/59/84/977895984.db2.gz COCUOFFVHSFZDA-GOTSBHOMSA-N 0 3 403.526 3.713 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431224086 978104978 /nfs/dbraw/zinc/10/49/78/978104978.db2.gz MJOOOWAJRXJAOL-AJSBUHFISA-N 0 3 403.526 3.568 20 30 HHEDHN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN[C@@H](CCCC#N)c3ccccc3)CC2)C1 ZINC000433016809 979042970 /nfs/dbraw/zinc/04/29/70/979042970.db2.gz UTLXIVKVZYLVCJ-OFNKIYASSA-N 0 3 424.589 3.508 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1cc(C)ccc1C ZINC000435045690 980593061 /nfs/dbraw/zinc/59/30/61/980593061.db2.gz XOTHMJQKNRZMRE-UHFFFAOYSA-N 0 3 415.541 3.873 20 30 HHEDHN CCN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000435129541 980660787 /nfs/dbraw/zinc/66/07/87/980660787.db2.gz MVRLBNFEUJLHSB-UHFFFAOYSA-N 0 3 416.529 3.583 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)CC1 ZINC000435501194 980906009 /nfs/dbraw/zinc/90/60/09/980906009.db2.gz KOFBIFXMESYYKJ-UHFFFAOYSA-N 0 3 407.562 3.846 20 30 HHEDHN CC(C)Oc1ccc(NC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000435539017 980928975 /nfs/dbraw/zinc/92/89/75/980928975.db2.gz CGYRTUWTLNOBMP-ROUUACIJSA-N 0 3 414.550 3.699 20 30 HHEDHN Cc1cc(NC(=O)CNc2ccc(C#N)cc2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435692972 980989274 /nfs/dbraw/zinc/98/92/74/980989274.db2.gz HQZJLNLIXIIKPY-JOCHJYFZSA-N 0 3 414.513 3.561 20 30 HHEDHN C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)ccc1OC ZINC000436837013 981583755 /nfs/dbraw/zinc/58/37/55/981583755.db2.gz INVXUPHDFSHFGR-UHFFFAOYSA-N 0 3 410.514 3.750 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437213552 981870354 /nfs/dbraw/zinc/87/03/54/981870354.db2.gz BNBZHZJJMPSFLU-UHFFFAOYSA-N 0 3 420.391 3.689 20 30 HHEDHN C=C(C)Cn1c(N(C)[C@H]2CCN(C3CC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000460800123 982552363 /nfs/dbraw/zinc/55/23/63/982552363.db2.gz BANGUHWUZKUNII-KRWDZBQOSA-N 0 3 403.477 3.655 20 30 HHEDHN C=C(C)Cn1c(N(C)[C@@H]2CCN(C3CC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000460800124 982552454 /nfs/dbraw/zinc/55/24/54/982552454.db2.gz BANGUHWUZKUNII-QGZVFWFLSA-N 0 3 403.477 3.655 20 30 HHEDHN C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000460811170 982564522 /nfs/dbraw/zinc/56/45/22/982564522.db2.gz GLWLSFAFRLUTAI-LJQANCHMSA-N 0 3 401.599 3.667 20 30 HHEDHN C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000460950114 982684535 /nfs/dbraw/zinc/68/45/35/982684535.db2.gz DRPVCSKNERATBN-LEWJYISDSA-N 0 3 416.573 3.939 20 30 HHEDHN C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000460963502 982694241 /nfs/dbraw/zinc/69/42/41/982694241.db2.gz OOFUNAZDRBIUCU-NRFANRHFSA-N 0 3 423.605 3.719 20 30 HHEDHN CCN(CC)C(=O)[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ccccc1 ZINC000438310877 982715678 /nfs/dbraw/zinc/71/56/78/982715678.db2.gz FEDSOLIVHDFACM-HRTMPFAESA-N 0 3 406.530 3.843 20 30 HHEDHN N#Cc1cccnc1OC1CCC(N[C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000438327089 982725464 /nfs/dbraw/zinc/72/54/64/982725464.db2.gz XHMNJKXPNCAYDX-VNXZQDSDSA-N 0 3 418.541 3.987 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000438351192 982739515 /nfs/dbraw/zinc/73/95/15/982739515.db2.gz CTLVHIUUGPMNHV-YLJYHZDGSA-N 0 3 414.912 3.980 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000438447211 982798474 /nfs/dbraw/zinc/79/84/74/982798474.db2.gz SXTQNLVNLCULMU-XYWHTSSQSA-N 0 3 412.484 3.856 20 30 HHEDHN N#Cc1cccnc1OC1CCC(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000438632154 982952001 /nfs/dbraw/zinc/95/20/01/982952001.db2.gz SUQRFLLFZBFGEX-UHFFFAOYSA-N 0 3 404.514 3.669 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438825775 983098658 /nfs/dbraw/zinc/09/86/58/983098658.db2.gz WPHCPCLIWXXLHV-HXUWFJFHSA-N 0 3 412.486 3.606 20 30 HHEDHN N#Cc1ccc(CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC000439447974 983413730 /nfs/dbraw/zinc/41/37/30/983413730.db2.gz GKPUWAMBPHDNSA-FQEVSTJZSA-N 0 3 409.965 3.641 20 30 HHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000439636710 983478955 /nfs/dbraw/zinc/47/89/55/983478955.db2.gz DJPZATVFLBQCCS-BSRJHKFKSA-N 0 3 406.530 3.585 20 30 HHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000441695272 984400826 /nfs/dbraw/zinc/40/08/26/984400826.db2.gz XKPUJTCTMPBAMH-CBGDNZLLSA-N 0 3 424.570 3.684 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)CC1 ZINC000442272525 984784046 /nfs/dbraw/zinc/78/40/46/984784046.db2.gz KGIDMGCPTNUGGK-UHFFFAOYSA-N 0 3 413.905 3.837 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Sc3ccccc3)cc2C)CC1 ZINC000442300839 984798652 /nfs/dbraw/zinc/79/86/52/984798652.db2.gz ZXTCTSPCOPQDBE-UHFFFAOYSA-N 0 3 409.555 3.851 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2Oc2c(C)cccc2C)CC1 ZINC000442309535 984806347 /nfs/dbraw/zinc/80/63/47/984806347.db2.gz WXFXQOFKQLOSJQ-UHFFFAOYSA-N 0 3 407.514 3.801 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@@H](C)O1 ZINC000443681273 985893322 /nfs/dbraw/zinc/89/33/22/985893322.db2.gz LYDMMNWDVYRRQC-WOJBJXKFSA-N 0 3 421.541 3.756 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000463203106 986174822 /nfs/dbraw/zinc/17/48/22/986174822.db2.gz JKADYILHQIIMJX-ZLNRFVROSA-N 0 3 413.562 3.738 20 30 HHEDHN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463207049 986179126 /nfs/dbraw/zinc/17/91/26/986179126.db2.gz YPXHPLCBMPCLTA-NJYVYQBISA-N 0 3 422.491 3.579 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1-c1c(F)cccc1F ZINC000469057980 986769672 /nfs/dbraw/zinc/76/96/72/986769672.db2.gz QBWUPLVMSZVWNZ-UHFFFAOYSA-N 0 3 423.467 3.535 20 30 HHEDHN C=CCN1CCC(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)CC1 ZINC000463789445 986780489 /nfs/dbraw/zinc/78/04/89/986780489.db2.gz QCHNUGUROJGTNZ-UHFFFAOYSA-N 0 3 406.461 3.923 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470674019 988697816 /nfs/dbraw/zinc/69/78/16/988697816.db2.gz JFCNVSGHFLHGAE-QFIPXVFZSA-N 0 3 421.541 3.849 20 30 HHEDHN N#Cc1cc(Oc2ccc(NC(=O)CC3(N4CCOCC4)CCCC3)cc2)ccn1 ZINC000464668597 988866180 /nfs/dbraw/zinc/86/61/80/988866180.db2.gz MFVZCVGCZNSSDR-UHFFFAOYSA-N 0 3 406.486 3.719 20 30 HHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464837783 989081505 /nfs/dbraw/zinc/08/15/05/989081505.db2.gz ULGPDDCSYSGELX-YADHBBJMSA-N 0 3 404.558 3.918 20 30 HHEDHN CC1CCN([C@@H](CNC(=O)NCCOc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000465425897 989770377 /nfs/dbraw/zinc/77/03/77/989770377.db2.gz CDOTUXVCVSKPHY-FQEVSTJZSA-N 0 3 412.559 3.771 20 30 HHEDHN CCN1CCN(c2cccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)c2)CC1 ZINC000471637756 989843963 /nfs/dbraw/zinc/84/39/63/989843963.db2.gz ZFXVXWPXRQVFKT-HSZRJFAPSA-N 0 3 406.530 3.742 20 30 HHEDHN C=CCc1ccc(OCC(=O)Nc2cccc(N3CCN(CC)CC3)c2)c(OC)c1 ZINC000471645887 989851683 /nfs/dbraw/zinc/85/16/83/989851683.db2.gz JLHFWPJIBYHBLT-UHFFFAOYSA-N 0 3 409.530 3.583 20 30 HHEDHN COc1ccc([C@H](C)CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000466042788 991213349 /nfs/dbraw/zinc/21/33/49/991213349.db2.gz TVEHPPXKUIWAIX-LJQANCHMSA-N 0 3 408.546 3.834 20 30 HHEDHN COc1ccc(-c2cncc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)cc1 ZINC000466447053 991736724 /nfs/dbraw/zinc/73/67/24/991736724.db2.gz WKSZSWZXYVKQFQ-UHFFFAOYSA-N 0 3 414.509 3.833 20 30 HHEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000466522585 991816110 /nfs/dbraw/zinc/81/61/10/991816110.db2.gz NLRWJGIAKLTJCP-DENIHFKCSA-N 0 3 418.541 3.774 20 30 HHEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000466694768 992008609 /nfs/dbraw/zinc/00/86/09/992008609.db2.gz LPSBGPPTHSQCMG-LJQANCHMSA-N 0 3 416.529 3.578 20 30 HHEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000466971549 992284009 /nfs/dbraw/zinc/28/40/09/992284009.db2.gz SGXBYYWTDZTDTN-LJQANCHMSA-N 0 3 416.529 3.578 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000467046126 992355332 /nfs/dbraw/zinc/35/53/32/992355332.db2.gz MVWUXWCOEMZBKZ-GHTZIAJQSA-N 0 3 407.514 3.505 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN([C@H](C)CO)C2CCCC2)c1C#N ZINC000472609590 993560484 /nfs/dbraw/zinc/56/04/84/993560484.db2.gz HSIZQDADBPTIIG-OAHLLOKOSA-N 0 3 412.509 3.669 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN([C@H](C)CO)C2CCCC2)c1C#N ZINC000472629313 993570725 /nfs/dbraw/zinc/57/07/25/993570725.db2.gz KVFXDHCLNCZHSC-QGZVFWFLSA-N 0 3 408.546 3.589 20 30 HHEDHN C=CCOc1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1OC ZINC000473517346 994372022 /nfs/dbraw/zinc/37/20/22/994372022.db2.gz IEZUNVQDIVUKLR-UHFFFAOYSA-N 0 3 412.452 3.795 20 30 HHEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473522064 994377296 /nfs/dbraw/zinc/37/72/96/994377296.db2.gz LPDKXHSEJZXSSA-UHFFFAOYSA-N 0 3 409.452 3.637 20 30 HHEDHN COc1cc(OC)cc(N2CC[C@H](N[C@H]3CCCCc4cc(C#N)ccc43)C2=O)c1 ZINC000481667734 994528179 /nfs/dbraw/zinc/52/81/79/994528179.db2.gz HJUVMRHUTFIGFH-GOTSBHOMSA-N 0 3 405.498 3.738 20 30 HHEDHN CCNC(=O)COc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000481917512 994789631 /nfs/dbraw/zinc/78/96/31/994789631.db2.gz HRZUAKRWOWBUNW-OAQYLSRUSA-N 0 3 407.514 3.639 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000473988206 994975599 /nfs/dbraw/zinc/97/55/99/994975599.db2.gz SFQNLMNGZDKXOF-OFNKIYASSA-N 0 3 409.530 3.646 20 30 HHEDHN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474236158 995233497 /nfs/dbraw/zinc/23/34/97/995233497.db2.gz XFLMOCVXALABQW-JOCHJYFZSA-N 0 3 410.949 3.793 20 30 HHEDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482495371 995505559 /nfs/dbraw/zinc/50/55/59/995505559.db2.gz IJXOHDWYAJJCHI-JTHBVZDNSA-N 0 3 408.498 3.680 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000482522385 995531208 /nfs/dbraw/zinc/53/12/08/995531208.db2.gz IVOFMLMLUWTVSJ-UHFFFAOYSA-N 0 3 400.954 3.972 20 30 HHEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482893404 995823457 /nfs/dbraw/zinc/82/34/57/995823457.db2.gz ZTSKJDJNJNDVMQ-YOEHRIQHSA-N 0 3 419.497 3.560 20 30 HHEDHN C=CCOc1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)cc1Cl ZINC000475086911 995912894 /nfs/dbraw/zinc/91/28/94/995912894.db2.gz DBZHFXHVJVHRDF-ROUUACIJSA-N 0 3 404.917 3.739 20 30 HHEDHN Cc1cccc(CC2(O)CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000475499785 996183102 /nfs/dbraw/zinc/18/31/02/996183102.db2.gz AOFGWQYNLNSGOQ-UHFFFAOYSA-N 0 3 415.541 3.737 20 30 HHEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(Cc2ccccc2)no1 ZINC000483634448 996299332 /nfs/dbraw/zinc/29/93/32/996299332.db2.gz CUEIXBITZZUBLZ-GOSISDBHSA-N 0 3 401.514 3.847 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1)[C@H]1CCCN(C)C1 ZINC000476136269 996626233 /nfs/dbraw/zinc/62/62/33/996626233.db2.gz FMYGQUICJJPTJR-GGAORHGYSA-N 0 3 418.541 3.879 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1)[C@@H]1CCCN(C)C1 ZINC000476136251 996626262 /nfs/dbraw/zinc/62/62/62/996626262.db2.gz FMYGQUICJJPTJR-FYYLOGMGSA-N 0 3 418.541 3.879 20 30 HHEDHN C[C@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000484338556 996712918 /nfs/dbraw/zinc/71/29/18/996712918.db2.gz WHYJBNVLUYYZEQ-OFVILXPXSA-N 0 3 416.569 3.576 20 30 HHEDHN C=CCOc1ccccc1CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000476636966 997162403 /nfs/dbraw/zinc/16/24/03/997162403.db2.gz ZDILYAZOFOEJNL-JOCHJYFZSA-N 0 3 409.530 3.896 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])cc1F ZINC000476815721 997372438 /nfs/dbraw/zinc/37/24/38/997372438.db2.gz DEKUPGUWQWNKJI-UHFFFAOYSA-N 0 3 405.499 3.832 20 30 HHEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000485293172 997696076 /nfs/dbraw/zinc/69/60/76/997696076.db2.gz XSFKILGIFAHJNY-AOMKIAJQSA-N 0 3 402.498 3.753 20 30 HHEDHN CC(C)NC(=O)Nc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485314094 997723387 /nfs/dbraw/zinc/72/33/87/997723387.db2.gz DXYYUXDLXADFMF-VGOFRKELSA-N 0 3 419.529 3.934 20 30 HHEDHN COCCN1CCC[C@@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000477138248 997794923 /nfs/dbraw/zinc/79/49/23/997794923.db2.gz WMJDOVIFEHVBOQ-JOCHJYFZSA-N 0 3 422.529 3.564 20 30 HHEDHN Cc1cccc(CN(CCN(C)C)C(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000487504886 999201824 /nfs/dbraw/zinc/20/18/24/999201824.db2.gz CMZDLBXHQCVITN-UHFFFAOYSA-N 0 3 410.587 3.869 20 30 HHEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487897064 999308531 /nfs/dbraw/zinc/30/85/31/999308531.db2.gz MYKBTROVWRKSNU-UHFFFAOYSA-N 0 3 407.337 3.978 20 30 HHEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000479323859 999385333 /nfs/dbraw/zinc/38/53/33/999385333.db2.gz ZFTDZVVIVCEBTJ-NRFANRHFSA-N 0 3 411.546 3.697 20 30 HHEDHN Cc1nc(SCC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c(C#N)c(C)c1C ZINC000488896863 999639844 /nfs/dbraw/zinc/63/98/44/999639844.db2.gz GQVGBNLVBCJQDG-IBGZPJMESA-N 0 3 400.523 3.529 20 30 HHEDHN C=CCN1CCC(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000480596202 999836470 /nfs/dbraw/zinc/83/64/70/999836470.db2.gz QTLFFHJXFGBVLT-UHFFFAOYSA-N 0 3 410.358 3.870 20 30 HHEDHN Cc1cc(C(=O)NC2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000491182361 1000052626 /nfs/dbraw/zinc/05/26/26/1000052626.db2.gz JBEVHQKELDZELA-UHFFFAOYSA-N 0 3 417.513 3.563 20 30 HHEDHN C=CCCc1ccccc1NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504455097 1000216092 /nfs/dbraw/zinc/21/60/92/1000216092.db2.gz BGTVSYUXLHNCHW-UHFFFAOYSA-N 0 3 420.557 3.913 20 30 HHEDHN C[C@@H]1CN(c2ccc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)cn2)C[C@@H](C)O1 ZINC000505328864 1000705037 /nfs/dbraw/zinc/70/50/37/1000705037.db2.gz KGIMVQAOBVSGOH-IOASZLSFSA-N 0 3 404.392 3.599 20 30 HHEDHN CC[C@@](C)(C#N)C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000505337629 1000710858 /nfs/dbraw/zinc/71/08/58/1000710858.db2.gz KOWYRUPOZGTQDS-FQEVSTJZSA-N 0 3 410.484 3.664 20 30 HHEDHN CCCN(C)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccc(Cl)cc1 ZINC000506214567 1001282763 /nfs/dbraw/zinc/28/27/63/1001282763.db2.gz KADJBUARBVAEDX-FQEVSTJZSA-N 0 3 412.921 3.658 20 30 HHEDHN CCCN(C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccc(Cl)cc1 ZINC000506230727 1001294506 /nfs/dbraw/zinc/29/45/06/1001294506.db2.gz GJVVKMPMRVNWOG-HXUWFJFHSA-N 0 3 412.921 3.658 20 30 HHEDHN COc1cc(Br)ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497901583 1001557626 /nfs/dbraw/zinc/55/76/26/1001557626.db2.gz VDDONEFVKAZMGX-UHFFFAOYSA-N 0 3 416.319 3.533 20 30 HHEDHN CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000498028572 1001612351 /nfs/dbraw/zinc/61/23/51/1001612351.db2.gz CIDUQUVKRSAXPL-FPOVZHCZSA-N 0 3 420.557 3.892 20 30 HHEDHN CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000498028572 1001612355 /nfs/dbraw/zinc/61/23/55/1001612355.db2.gz CIDUQUVKRSAXPL-FPOVZHCZSA-N 0 3 420.557 3.892 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000498380248 1001810230 /nfs/dbraw/zinc/81/02/30/1001810230.db2.gz DLQNVIQXWKDONK-UHFFFAOYSA-N 0 3 420.488 3.875 20 30 HHEDHN Cc1nc(-c2ccccn2)sc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000498382398 1001812524 /nfs/dbraw/zinc/81/25/24/1001812524.db2.gz LPTZHZXFXUGECS-UHFFFAOYSA-N 0 3 405.527 3.589 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1N1CCCCC1 ZINC000498463598 1001892388 /nfs/dbraw/zinc/89/23/88/1001892388.db2.gz NDQDVLKUIYHMEF-UHFFFAOYSA-N 0 3 419.573 3.822 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507341706 1002010469 /nfs/dbraw/zinc/01/04/69/1002010469.db2.gz QAGURQDGWMDXGX-UGKGYDQZSA-N 0 3 418.541 3.947 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000507539995 1002146777 /nfs/dbraw/zinc/14/67/77/1002146777.db2.gz XJOUHXGFGXRQHS-PGRDOPGGSA-N 0 3 420.532 3.865 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000498926085 1002323647 /nfs/dbraw/zinc/32/36/47/1002323647.db2.gz AVSCWBDYFWXEMQ-UYAOXDASSA-N 0 3 420.561 3.814 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000498926085 1002323655 /nfs/dbraw/zinc/32/36/55/1002323655.db2.gz AVSCWBDYFWXEMQ-UYAOXDASSA-N 0 3 420.561 3.814 20 30 HHEDHN N#Cc1ccc(OC2CCC(NCc3cc(O)ccc3Br)CC2)nc1 ZINC000507767437 1002334365 /nfs/dbraw/zinc/33/43/65/1002334365.db2.gz QYVNQOFJIBDVNX-UHFFFAOYSA-N 0 3 402.292 3.901 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c2c(n1)onc2C(C)C ZINC000499043068 1002422604 /nfs/dbraw/zinc/42/26/04/1002422604.db2.gz JDVXDJNOBRWTQI-UHFFFAOYSA-N 0 3 405.502 3.730 20 30 HHEDHN C=CCOc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1OC ZINC000508050839 1002572272 /nfs/dbraw/zinc/57/22/72/1002572272.db2.gz CHXWQSHUNARJBK-UHFFFAOYSA-N 0 3 410.514 3.717 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000499331132 1002735517 /nfs/dbraw/zinc/73/55/17/1002735517.db2.gz PVAFYPOCKHMRGQ-UHFFFAOYSA-N 0 3 413.591 3.628 20 30 HHEDHN Cc1onc(CC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)c1C#N ZINC000499753117 1003095897 /nfs/dbraw/zinc/09/58/97/1003095897.db2.gz ZDARITVCGIRULG-UHFFFAOYSA-N 0 3 421.328 3.829 20 30 HHEDHN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000508856036 1003276285 /nfs/dbraw/zinc/27/62/85/1003276285.db2.gz JNWUOHSPSJNKEG-QNGMFEMESA-N 0 3 419.614 3.525 20 30 HHEDHN CCN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000499998206 1003315536 /nfs/dbraw/zinc/31/55/36/1003315536.db2.gz GXDMTNZQMOTGIL-OXJNMPFZSA-N 0 3 424.932 3.834 20 30 HHEDHN C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCN(C2CCOCC2)CC1 ZINC000508907753 1003347004 /nfs/dbraw/zinc/34/70/04/1003347004.db2.gz OUIPLFBTMCJGSO-UHFFFAOYSA-N 0 3 422.360 3.739 20 30 HHEDHN C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000508930136 1003375058 /nfs/dbraw/zinc/37/50/58/1003375058.db2.gz DIDABFJXSFKGBB-UHFFFAOYSA-N 0 3 401.942 3.761 20 30 HHEDHN CC[C@@H](C)N[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000509567326 1003949144 /nfs/dbraw/zinc/94/91/44/1003949144.db2.gz IZFZZZNQXPLMGS-UTKZUKDTSA-N 0 3 410.518 3.833 20 30 HHEDHN CC[C@@H](C)N[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000509567324 1003949362 /nfs/dbraw/zinc/94/93/62/1003949362.db2.gz IZFZZZNQXPLMGS-DYESRHJHSA-N 0 3 410.518 3.833 20 30 HHEDHN N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(CCN4CCSCC4)cc3)CC2)c1 ZINC000509828160 1004128448 /nfs/dbraw/zinc/12/84/48/1004128448.db2.gz PFKKADWDQYZHCQ-UHFFFAOYSA-N 0 3 409.530 3.959 20 30 HHEDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc(OC)c1C(C)C ZINC000510190745 1004385756 /nfs/dbraw/zinc/38/57/56/1004385756.db2.gz OLTFNTDDIFQCEQ-UHFFFAOYSA-N 0 3 409.530 3.903 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000512752254 1004537061 /nfs/dbraw/zinc/53/70/61/1004537061.db2.gz MHEIAECVWWYRDA-UHFFFAOYSA-N 0 3 420.557 3.757 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@H](O)COCc3ccccc3Cl)CC2)c(F)c1 ZINC000512811208 1004573183 /nfs/dbraw/zinc/57/31/83/1004573183.db2.gz CHYACUQCGOGIRJ-SFHVURJKSA-N 0 3 418.896 3.772 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000501734351 1004660832 /nfs/dbraw/zinc/66/08/32/1004660832.db2.gz OEXRPKYEJXJGAP-UHFFFAOYSA-N 0 3 408.571 3.539 20 30 HHEDHN C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000513241052 1004876759 /nfs/dbraw/zinc/87/67/59/1004876759.db2.gz GLGVQNSIJBEWKD-HLAWJBBLSA-N 0 3 408.571 3.540 20 30 HHEDHN C=CCn1c(SC[C@H](O)CN2CCc3ccccc3C2)nnc1-c1ccccc1F ZINC000513508415 1004996002 /nfs/dbraw/zinc/99/60/02/1004996002.db2.gz MITOBUJNNFXRDC-LJQANCHMSA-N 0 3 424.545 3.782 20 30 HHEDHN N#CCCn1cc(CN2CCC(N3CCc4ccccc43)CC2)c(-c2ccncc2)n1 ZINC000502324074 1005012663 /nfs/dbraw/zinc/01/26/63/1005012663.db2.gz AEIRZFWQKZJBNW-UHFFFAOYSA-N 0 3 412.541 3.886 20 30 HHEDHN CC1(c2nc3ccccc3s2)CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000511110036 1005023330 /nfs/dbraw/zinc/02/33/30/1005023330.db2.gz SXMJVVNXEFWAOB-SFHVURJKSA-N 0 3 407.539 3.961 20 30 HHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000513672433 1005076869 /nfs/dbraw/zinc/07/68/69/1005076869.db2.gz RMUOLXUSXUUHNM-QGZVFWFLSA-N 0 3 416.868 3.927 20 30 HHEDHN Cc1cc(NC(=O)N(C[C@H](C)C#N)C2CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000513705152 1005089673 /nfs/dbraw/zinc/08/96/73/1005089673.db2.gz OBSXWNMBOFTTOG-DYESRHJHSA-N 0 3 406.534 3.795 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000514163027 1005294573 /nfs/dbraw/zinc/29/45/73/1005294573.db2.gz SHSRPPCMCITOKZ-NRFANRHFSA-N 0 3 409.530 3.506 20 30 HHEDHN CCCc1noc2nc(CC)cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c12 ZINC000503308918 1005387815 /nfs/dbraw/zinc/38/78/15/1005387815.db2.gz HERFSNWSOULLJM-UHFFFAOYSA-N 0 3 419.529 3.813 20 30 HHEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503465656 1005428875 /nfs/dbraw/zinc/42/88/75/1005428875.db2.gz XLDRWPSKBGUZEQ-LJQANCHMSA-N 0 3 417.962 3.744 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCSc1ccc(F)cc1 ZINC000503615037 1005465663 /nfs/dbraw/zinc/46/56/63/1005465663.db2.gz LVXPDWKKAYLISU-UHFFFAOYSA-N 0 3 414.550 3.953 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000503682584 1005480058 /nfs/dbraw/zinc/48/00/58/1005480058.db2.gz AXKBYTMLCUWOKI-UHFFFAOYSA-N 0 3 414.893 3.579 20 30 HHEDHN CC(C)Cn1ncc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C(F)F ZINC000534088118 1006060934 /nfs/dbraw/zinc/06/09/34/1006060934.db2.gz BFOWTAUTMOGQLQ-UHFFFAOYSA-N 0 3 418.492 3.944 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000514874293 1006175815 /nfs/dbraw/zinc/17/58/15/1006175815.db2.gz LYDPNDXSWAYFPG-MRXNPFEDSA-N 0 3 417.554 3.751 20 30 HHEDHN N#Cc1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1OCC(F)(F)F ZINC000515115115 1006298968 /nfs/dbraw/zinc/29/89/68/1006298968.db2.gz YWMRHTKAPHOREK-GOSISDBHSA-N 0 3 418.419 3.895 20 30 HHEDHN N#Cc1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1OCC(F)(F)F ZINC000515115116 1006299083 /nfs/dbraw/zinc/29/90/83/1006299083.db2.gz YWMRHTKAPHOREK-SFHVURJKSA-N 0 3 418.419 3.895 20 30 HHEDHN CN1CC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000534681367 1006659116 /nfs/dbraw/zinc/65/91/16/1006659116.db2.gz VUCOSGMTOILKNV-XZOQPEGZSA-N 0 3 404.514 3.556 20 30 HHEDHN C=CCC[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538391493 1006661666 /nfs/dbraw/zinc/66/16/66/1006661666.db2.gz GGIHVWXUBJFYEM-BJKOFHAPSA-N 0 3 420.532 3.832 20 30 HHEDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000538719368 1006991929 /nfs/dbraw/zinc/99/19/29/1006991929.db2.gz FYXALILGYQYADM-BJKOFHAPSA-N 0 3 406.526 3.889 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc(OC)c1OC ZINC000535397613 1007463915 /nfs/dbraw/zinc/46/39/15/1007463915.db2.gz FGKVLVMKQKNNKI-UNMCSNQZSA-N 0 3 409.530 3.677 20 30 HHEDHN Cc1c(NC(=O)CCN2CCC(Oc3cccc(C#N)c3)CC2)cccc1[N+](=O)[O-] ZINC000533287530 1007598704 /nfs/dbraw/zinc/59/87/04/1007598704.db2.gz RXJUFCQBGRBNMA-UHFFFAOYSA-N 0 3 408.458 3.647 20 30 HHEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000517440164 1007661991 /nfs/dbraw/zinc/66/19/91/1007661991.db2.gz KNEPSIPFXORJFF-AGRHKRQWSA-N 0 3 400.910 3.784 20 30 HHEDHN Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000539365385 1007668361 /nfs/dbraw/zinc/66/83/61/1007668361.db2.gz RMKBIXPHVRVLLE-TUNNFDKTSA-N 0 3 422.598 3.643 20 30 HHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000533366904 1007676174 /nfs/dbraw/zinc/67/61/74/1007676174.db2.gz XNWSUWKTOJDYSX-HXUWFJFHSA-N 0 3 422.529 3.788 20 30 HHEDHN CCc1ccc(C(C)(C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cc1 ZINC000539491338 1007802534 /nfs/dbraw/zinc/80/25/34/1007802534.db2.gz NXGHWCOUBIPSOI-HXUWFJFHSA-N 0 3 410.587 3.544 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1-c1ccc(C)cc1 ZINC000539624467 1007941855 /nfs/dbraw/zinc/94/18/55/1007941855.db2.gz SJSFXEGPOOFCPW-UHFFFAOYSA-N 0 3 401.514 3.565 20 30 HHEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)C2)CC1 ZINC000539797931 1008102158 /nfs/dbraw/zinc/10/21/58/1008102158.db2.gz FIYVHZJOIGZDMK-OAQYLSRUSA-N 0 3 418.541 3.591 20 30 HHEDHN COc1ccc(C[C@H](C)CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000533984461 1008248255 /nfs/dbraw/zinc/24/82/55/1008248255.db2.gz GGFCALYOIKRNIT-IBGZPJMESA-N 0 3 408.546 3.519 20 30 HHEDHN C=CCN1CCC(NC(=O)N(CCC)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000518532483 1008340655 /nfs/dbraw/zinc/34/06/55/1008340655.db2.gz VOESTLCTCVBUBB-UHFFFAOYSA-N 0 3 417.941 3.561 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000518750144 1008413381 /nfs/dbraw/zinc/41/33/81/1008413381.db2.gz HCDVOQWBLGXLNC-GOSISDBHSA-N 0 3 424.570 3.610 20 30 HHEDHN Cc1ccc(S(=O)(=O)NC[C@@H](NCCCSCC#N)c2ccccc2)c(C)c1 ZINC000540456567 1008439726 /nfs/dbraw/zinc/43/97/26/1008439726.db2.gz XMFVYFUAXJTGOX-HXUWFJFHSA-N 0 3 417.600 3.560 20 30 HHEDHN N#C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849201 1008444724 /nfs/dbraw/zinc/44/47/24/1008444724.db2.gz SMHWHBWOPOUDLH-PKOBYXMFSA-N 0 3 402.420 3.693 20 30 HHEDHN C=CCN(Cc1cn(C)nc1-c1cccs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000540481913 1008449047 /nfs/dbraw/zinc/44/90/47/1008449047.db2.gz QQAVPYBNRMQWPY-MRXNPFEDSA-N 0 3 405.531 3.874 20 30 HHEDHN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000549292439 1008865179 /nfs/dbraw/zinc/86/51/79/1008865179.db2.gz RPMBOIZXYXSTFS-VXKWHMMOSA-N 0 3 409.578 3.849 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000543352461 1008939163 /nfs/dbraw/zinc/93/91/63/1008939163.db2.gz SSZAWJHOEHYXDH-GOSISDBHSA-N 0 3 414.531 3.604 20 30 HHEDHN CC(C)C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccs1 ZINC000543487193 1009075930 /nfs/dbraw/zinc/07/59/30/1009075930.db2.gz YDOMZBVBSNWMGO-ZWKOTPCHSA-N 0 3 416.616 3.895 20 30 HHEDHN N#CC(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21)c1ccncn1 ZINC000546152250 1009183138 /nfs/dbraw/zinc/18/31/38/1009183138.db2.gz HEONKKOAQSYWHD-GOSISDBHSA-N 0 3 408.417 3.953 20 30 HHEDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000546225149 1009251221 /nfs/dbraw/zinc/25/12/21/1009251221.db2.gz GHPWQQVDTOFPIZ-DENIHFKCSA-N 0 3 408.521 3.502 20 30 HHEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000520106695 1009263561 /nfs/dbraw/zinc/26/35/61/1009263561.db2.gz YFFMGDAHQOOYQT-MRXNPFEDSA-N 0 3 419.447 3.935 20 30 HHEDHN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000549691199 1009321065 /nfs/dbraw/zinc/32/10/65/1009321065.db2.gz YRXOPIYQTWOFPX-IRLDBZIGSA-N 0 3 409.578 3.555 20 30 HHEDHN C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)N(C)Cc1ccccc1 ZINC000520326947 1009458096 /nfs/dbraw/zinc/45/80/96/1009458096.db2.gz WYNXZXBKYYGJFR-GOSISDBHSA-N 0 3 400.482 3.996 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544142917 1009751743 /nfs/dbraw/zinc/75/17/43/1009751743.db2.gz DLYVQMDLJNWLKT-SFHVURJKSA-N 0 3 419.447 3.529 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000544176169 1009780700 /nfs/dbraw/zinc/78/07/00/1009780700.db2.gz RYIGUPCUXCKGSP-ISKFKSNPSA-N 0 3 406.530 3.511 20 30 HHEDHN CS[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@H]1N(C)C ZINC000546843695 1009802345 /nfs/dbraw/zinc/80/23/45/1009802345.db2.gz BCGITNWHQXTESE-FGZHOGPDSA-N 0 3 424.570 3.955 20 30 HHEDHN N#Cc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)nc1 ZINC000520765009 1009833948 /nfs/dbraw/zinc/83/39/48/1009833948.db2.gz RKABLPKCCMWERL-UHFFFAOYSA-N 0 3 403.313 3.998 20 30 HHEDHN CC[C@@H](NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@H]1CCCO1 ZINC000544460541 1010084038 /nfs/dbraw/zinc/08/40/38/1010084038.db2.gz OMSWBZNHQKVLAC-IFMALSPDSA-N 0 3 406.530 3.713 20 30 HHEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521116291 1010137540 /nfs/dbraw/zinc/13/75/40/1010137540.db2.gz XDUDTZJZPPWVDI-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000550900017 1010247331 /nfs/dbraw/zinc/24/73/31/1010247331.db2.gz HWLBPZZEXRDTEH-UHFFFAOYSA-N 0 3 418.588 3.508 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CC1 ZINC000521573516 1010473348 /nfs/dbraw/zinc/47/33/48/1010473348.db2.gz ACUAJSMGCDWMAS-UHFFFAOYSA-N 0 3 407.543 3.766 20 30 HHEDHN CCOC(=O)c1ccc(C#N)c(SC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000551413091 1010570305 /nfs/dbraw/zinc/57/03/05/1010570305.db2.gz DMTBKSRNIVZWLW-IBGZPJMESA-N 0 3 411.527 3.513 20 30 HHEDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 ZINC000551542261 1010649042 /nfs/dbraw/zinc/64/90/42/1010649042.db2.gz DYUHHIODXXPLSQ-JOCHJYFZSA-N 0 3 419.481 3.772 20 30 HHEDHN N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000548883951 1010752379 /nfs/dbraw/zinc/75/23/79/1010752379.db2.gz RKKLHOFLOAYJBG-HXUWFJFHSA-N 0 3 406.505 3.517 20 30 HHEDHN COc1ccc(CC[C@H]2CCCCN2CC(=O)NCc2ccc(C#N)cc2)cc1OC ZINC000522418495 1010995711 /nfs/dbraw/zinc/99/57/11/1010995711.db2.gz VIRKPCFNZQKOPU-JOCHJYFZSA-N 0 3 421.541 3.679 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC[C@H]2C2CCOCC2)c1C#N ZINC000540826113 1011490205 /nfs/dbraw/zinc/49/02/05/1011490205.db2.gz FQBQMJRMJXORMC-QHCPKHFHSA-N 0 3 420.557 3.854 20 30 HHEDHN CCNC(=O)N1CCc2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc21 ZINC000540837225 1011502344 /nfs/dbraw/zinc/50/23/44/1011502344.db2.gz DJCZSSZYISYNMV-UHFFFAOYSA-N 0 3 403.530 3.727 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540981211 1011615596 /nfs/dbraw/zinc/61/55/96/1011615596.db2.gz LUCBEVAJIZSDDQ-FUHWJXTLSA-N 0 3 418.476 3.840 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129161 1011786696 /nfs/dbraw/zinc/78/66/96/1011786696.db2.gz UMWDXBZBUJMJBL-QZTJIDSGSA-N 0 3 409.452 3.707 20 30 HHEDHN N#Cc1ccncc1NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000536685157 1011848705 /nfs/dbraw/zinc/84/87/05/1011848705.db2.gz QISKRSRCLDHYRM-UHFFFAOYSA-N 0 3 403.452 3.986 20 30 HHEDHN CCN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000551932511 1012028401 /nfs/dbraw/zinc/02/84/01/1012028401.db2.gz WGVJQYUKRZDQED-AWEZNQCLSA-N 0 3 411.303 3.912 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000551962604 1012033939 /nfs/dbraw/zinc/03/39/39/1012033939.db2.gz TWZBNLFMXPPMEI-GOSISDBHSA-N 0 3 403.906 3.759 20 30 HHEDHN CC[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000552321456 1012331134 /nfs/dbraw/zinc/33/11/34/1012331134.db2.gz RSBMPDKGMBEUDL-MRXNPFEDSA-N 0 3 412.342 3.884 20 30 HHEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000537067658 1012405508 /nfs/dbraw/zinc/40/55/08/1012405508.db2.gz ZFMDZRORYLABJX-REWPJTCUSA-N 0 3 406.457 3.847 20 30 HHEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000537108809 1012480429 /nfs/dbraw/zinc/48/04/29/1012480429.db2.gz KMEHRGJFUDQJSH-ZWKOTPCHSA-N 0 3 423.536 3.517 20 30 HHEDHN C[S@](=O)C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000537160450 1012558579 /nfs/dbraw/zinc/55/85/79/1012558579.db2.gz RLTSUUOEZBPTLE-JMQGSBJISA-N 0 3 415.584 3.537 20 30 HHEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000537278344 1012732829 /nfs/dbraw/zinc/73/28/29/1012732829.db2.gz DISNVMSENYJSBX-QYWGDWMGSA-N 0 3 403.548 3.731 20 30 HHEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000537282146 1012737330 /nfs/dbraw/zinc/73/73/30/1012737330.db2.gz WNNHYKJJVWIMIS-QYWGDWMGSA-N 0 3 403.548 3.588 20 30 HHEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000537390727 1012871150 /nfs/dbraw/zinc/87/11/50/1012871150.db2.gz UYMAYCRBJISDOM-UTKZUKDTSA-N 0 3 421.944 3.544 20 30 HHEDHN C[C@@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542025960 1012920019 /nfs/dbraw/zinc/92/00/19/1012920019.db2.gz PHYRCQXBOVMAMF-HXUWFJFHSA-N 0 3 419.573 3.613 20 30 HHEDHN CN1CCC(N(Cc2ccccc2)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000553044016 1013018693 /nfs/dbraw/zinc/01/86/93/1013018693.db2.gz RCWGQULAEUVRQI-NRFANRHFSA-N 0 3 420.532 3.647 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)N(C)C)cc1 ZINC000553053763 1013027961 /nfs/dbraw/zinc/02/79/61/1013027961.db2.gz KEUCCKJKLQTYAT-NFBKMPQASA-N 0 3 408.521 3.505 20 30 HHEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000537524833 1013040993 /nfs/dbraw/zinc/04/09/93/1013040993.db2.gz IVDMHPGQFRYDOS-JOCHJYFZSA-N 0 3 406.530 3.795 20 30 HHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OCC#N)c1 ZINC000760457650 1072365437 /nfs/dbraw/zinc/36/54/37/1072365437.db2.gz ZENQRNFQHUMRFC-UHFFFAOYSA-N 0 3 419.447 3.741 20 30 HHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000586794978 1072444595 /nfs/dbraw/zinc/44/45/95/1072444595.db2.gz KXGFFNKPWOZTAA-KRWDZBQOSA-N 0 3 424.353 3.811 20 30 HHEDHN C=CCc1ccc(OCC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c(OC)c1 ZINC001126870035 1072859004 /nfs/dbraw/zinc/85/90/04/1072859004.db2.gz QKIJZLXFRJIGKM-JOCHJYFZSA-N 0 3 408.542 3.926 20 30 HHEDHN CC(C)N1CC[C@H](NCC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000555129189 1073180472 /nfs/dbraw/zinc/18/04/72/1073180472.db2.gz KRCRYDMNBFAXIE-UNMCSNQZSA-N 0 3 418.532 3.763 20 30 HHEDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cc3ccccc3n2CC#N)N(C)C)cc1 ZINC000588780283 1073205556 /nfs/dbraw/zinc/20/55/56/1073205556.db2.gz KRMGCXRZNWZWFW-HSZRJFAPSA-N 0 3 404.514 3.985 20 30 HHEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000555176310 1073235799 /nfs/dbraw/zinc/23/57/99/1073235799.db2.gz KUGGJLNPSQDAFB-HXUWFJFHSA-N 0 3 412.559 3.615 20 30 HHEDHN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@@H]4CN(C)C[C@H]43)sc2C1 ZINC000590010638 1073449187 /nfs/dbraw/zinc/44/91/87/1073449187.db2.gz RFPZIQRMBSCZDI-GPMSIDNRSA-N 0 3 414.619 3.735 20 30 HHEDHN C=CCn1c2nnc(S[C@H]3CCN(Cc4ccccc4)C3)n2c2ccccc2c1=O ZINC000555468487 1073534973 /nfs/dbraw/zinc/53/49/73/1073534973.db2.gz AHGRJTQCRDQKAF-SFHVURJKSA-N 0 3 417.538 3.597 20 30 HHEDHN C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1=CCN(C)CC1 ZINC000573825845 1074651594 /nfs/dbraw/zinc/65/15/94/1074651594.db2.gz UQCZNHQMTZLZLG-MRXNPFEDSA-N 0 3 400.954 3.585 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CC1 ZINC000592070199 1074687259 /nfs/dbraw/zinc/68/72/59/1074687259.db2.gz BYECGBLBYFUSQK-UHFFFAOYSA-N 0 3 412.534 3.974 20 30 HHEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000760936010 1074700398 /nfs/dbraw/zinc/70/03/98/1074700398.db2.gz KOAXQBKWFWTXJC-HOTGVXAUSA-N 0 3 413.543 3.916 20 30 HHEDHN COc1ccc(COCCCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000760966623 1074741169 /nfs/dbraw/zinc/74/11/69/1074741169.db2.gz VHRXXMCLTXWVRJ-LJQANCHMSA-N 0 3 400.862 3.993 20 30 HHEDHN COc1ccc(CN(CC(=O)N[C@](C)(C#N)C2CC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000573988231 1074749289 /nfs/dbraw/zinc/74/92/89/1074749289.db2.gz CFWGQXRKGXXBIA-GERBCZOESA-N 0 3 413.562 3.893 20 30 HHEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(OCC(F)F)n1 ZINC000760971062 1074759249 /nfs/dbraw/zinc/75/92/49/1074759249.db2.gz XVAUXATWSBNMRJ-LBPRGKRZSA-N 0 3 414.195 3.993 20 30 HHEDHN C=CCN1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000592490222 1074769269 /nfs/dbraw/zinc/76/92/69/1074769269.db2.gz FJUCXIULGNOBPC-QFIPXVFZSA-N 0 3 424.614 3.797 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000592495416 1074771698 /nfs/dbraw/zinc/77/16/98/1074771698.db2.gz VEROUSMANZNRSN-IMRBUKKESA-N 0 3 401.395 3.846 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CC[C@H](C(F)(F)F)C2)c1C#N ZINC000761047633 1075260020 /nfs/dbraw/zinc/26/00/20/1075260020.db2.gz WHYPKRRNJNGIQH-HNNXBMFYSA-N 0 3 408.424 3.831 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CC[C@@H](C(F)(F)F)C2)c1C#N ZINC000761047637 1075260092 /nfs/dbraw/zinc/26/00/92/1075260092.db2.gz WHYPKRRNJNGIQH-OAHLLOKOSA-N 0 3 408.424 3.831 20 30 HHEDHN C=CCN1CCC(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000303239651 971575400 /nfs/dbraw/zinc/57/54/00/971575400.db2.gz ALYFFAFKYKEWMJ-UHFFFAOYSA-N 0 3 417.509 3.994 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000303252688 971581663 /nfs/dbraw/zinc/58/16/63/971581663.db2.gz GDBUTKIVJNPAJQ-UHFFFAOYSA-N 0 3 416.525 3.928 20 30 HHEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000303470752 971772916 /nfs/dbraw/zinc/77/29/16/971772916.db2.gz HOPHRNYVXMOMRA-QIJUGHKUSA-N 0 3 409.574 3.537 20 30 HHEDHN CCCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H](CC)c1ccccc1 ZINC000303596861 971888203 /nfs/dbraw/zinc/88/82/03/971888203.db2.gz JFLBDCKHQPOPMX-QFIPXVFZSA-N 0 3 423.561 3.757 20 30 HHEDHN CN(C)C(=O)C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000553253485 1013220464 /nfs/dbraw/zinc/22/04/64/1013220464.db2.gz NPUWWSQLJXQQEM-IBGZPJMESA-N 0 3 424.570 3.636 20 30 HHEDHN CN(C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000553287516 1013244121 /nfs/dbraw/zinc/24/41/21/1013244121.db2.gz UHCMRXKZYLDFBU-LJQANCHMSA-N 0 3 400.954 3.513 20 30 HHEDHN CC(C)N1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000553289896 1013246961 /nfs/dbraw/zinc/24/69/61/1013246961.db2.gz RICJHVHTMQXGQS-UHFFFAOYSA-N 0 3 402.970 3.761 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000553334497 1013281339 /nfs/dbraw/zinc/28/13/39/1013281339.db2.gz PNBAXDAYDCJEJS-HYBUGGRVSA-N 0 3 407.514 3.699 20 30 HHEDHN COc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000022850465 963728461 /nfs/dbraw/zinc/72/84/61/963728461.db2.gz JGLTUWRNFHCZAP-UHFFFAOYSA-N 0 3 401.457 3.876 20 30 HHEDHN Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000542508703 1013453491 /nfs/dbraw/zinc/45/34/91/1013453491.db2.gz NADBBWLTVHJHDP-GOSISDBHSA-N 0 3 400.906 3.803 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(C(=O)Nc3ccccc3)CC2)c(OC)c1 ZINC000025300214 964232846 /nfs/dbraw/zinc/23/28/46/964232846.db2.gz KGYJDFXCMGFSDP-JOCHJYFZSA-N 0 3 424.541 3.514 20 30 HHEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000025867653 964377982 /nfs/dbraw/zinc/37/79/82/964377982.db2.gz HSPAUZAVJOOGBJ-MOPGFXCFSA-N 0 3 407.539 3.982 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000052485689 964916182 /nfs/dbraw/zinc/91/61/82/964916182.db2.gz MAFATDHNRVSUTP-OTWHNJEPSA-N 0 3 419.639 3.668 20 30 HHEDHN N#Cc1c(NC(=O)CCN2CCN(CCc3ccccc3)CC2)sc2c1CCCC2 ZINC000027576521 964923170 /nfs/dbraw/zinc/92/31/70/964923170.db2.gz PJDVNYBNPZSTEV-UHFFFAOYSA-N 0 3 422.598 3.687 20 30 HHEDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000537984526 1013559648 /nfs/dbraw/zinc/55/96/48/1013559648.db2.gz XXURIECWUBYWJX-CQSZACIVSA-N 0 3 405.376 3.972 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(F)c(Br)c1 ZINC000055388341 965837675 /nfs/dbraw/zinc/83/76/75/965837675.db2.gz XACQRISGNSVMJD-UHFFFAOYSA-N 0 3 418.310 3.593 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000055388377 965838882 /nfs/dbraw/zinc/83/88/82/965838882.db2.gz GKUSAVOQMLBBEE-UHFFFAOYSA-N 0 3 407.905 3.601 20 30 HHEDHN N#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000060090239 966059855 /nfs/dbraw/zinc/05/98/55/966059855.db2.gz ILUUIYJZBUHHMF-OAQYLSRUSA-N 0 3 405.502 3.563 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1sccc1Br ZINC000060591580 966220488 /nfs/dbraw/zinc/22/04/88/966220488.db2.gz LWSLGGFSFNPNJE-UHFFFAOYSA-N 0 3 421.364 3.656 20 30 HHEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1ccc(C#N)cc1 ZINC000056622398 966398733 /nfs/dbraw/zinc/39/87/33/966398733.db2.gz CZJBPGZDVCJZHI-UHFFFAOYSA-N 0 3 415.335 3.594 20 30 HHEDHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000538088437 1013661255 /nfs/dbraw/zinc/66/12/55/1013661255.db2.gz XZLWTZDQWDFYPV-UHFFFAOYSA-N 0 3 412.493 3.542 20 30 HHEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c2cccnc12)C(C)C ZINC000041855838 966651681 /nfs/dbraw/zinc/65/16/81/966651681.db2.gz OYQLBJGCWDNFEK-IBGZPJMESA-N 0 3 414.937 3.642 20 30 HHEDHN N#Cc1cccc(OCCN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 ZINC000538117956 1013678786 /nfs/dbraw/zinc/67/87/86/1013678786.db2.gz MQGMEOGGNSVMBV-FQEVSTJZSA-N 0 3 417.431 3.909 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000042813670 966852126 /nfs/dbraw/zinc/85/21/26/966852126.db2.gz YUBWYBQMOZOSHJ-XMMPIXPASA-N 0 3 417.557 3.617 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(CC2CCCCC2)CC1 ZINC000064130039 967060201 /nfs/dbraw/zinc/06/02/01/967060201.db2.gz VIDLKROCEWVDCC-FQEVSTJZSA-N 0 3 412.578 3.528 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000045303571 967413637 /nfs/dbraw/zinc/41/36/37/967413637.db2.gz YOJZMMKRHRHZPI-UHFFFAOYSA-N 0 3 404.436 3.850 20 30 HHEDHN C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1-n1cccn1 ZINC000538159164 1013720570 /nfs/dbraw/zinc/72/05/70/1013720570.db2.gz MJSMMGWGAQEMDD-CABCVRRESA-N 0 3 405.527 3.972 20 30 HHEDHN C=CCN(Cc1cccs1)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000046120678 967667349 /nfs/dbraw/zinc/66/73/49/967667349.db2.gz PUJXVNWNLMUVSF-UHFFFAOYSA-N 0 3 412.603 3.783 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000538237049 1013785332 /nfs/dbraw/zinc/78/53/32/1013785332.db2.gz HILBSOQOYRFOOV-RTBURBONSA-N 0 3 417.513 3.867 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@H](CC)N2CCc3ccccc3C2)cc1 ZINC000048160242 968462357 /nfs/dbraw/zinc/46/23/57/968462357.db2.gz PBUQEYGMLDWKMG-QFIPXVFZSA-N 0 3 406.530 3.561 20 30 HHEDHN Cc1[nH]c2ccc(CNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2c1C ZINC000065696460 968596124 /nfs/dbraw/zinc/59/61/24/968596124.db2.gz VVCLXEJGVYIWNY-UHFFFAOYSA-N 0 3 403.530 3.930 20 30 HHEDHN CN(Cc1ccc(C#N)cc1)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000110125453 969626702 /nfs/dbraw/zinc/62/67/02/969626702.db2.gz ZAOUFXDIDWPRNG-NRFANRHFSA-N 0 3 401.432 3.971 20 30 HHEDHN COc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000113144802 969825270 /nfs/dbraw/zinc/82/52/70/969825270.db2.gz JNIGLJZVDOGUBK-NSHDSACASA-N 0 3 408.197 3.871 20 30 HHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000140343693 970073561 /nfs/dbraw/zinc/07/35/61/970073561.db2.gz BJJSEYSTXHMJNO-CQSZACIVSA-N 0 3 408.845 3.886 20 30 HHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000140343545 970073750 /nfs/dbraw/zinc/07/37/50/970073750.db2.gz BJJSEYSTXHMJNO-AWEZNQCLSA-N 0 3 408.845 3.886 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000229496354 970130506 /nfs/dbraw/zinc/13/05/06/970130506.db2.gz JKTYKPSBUNSQCF-RBBKRZOGSA-N 0 3 418.541 3.665 20 30 HHEDHN C=CCc1cc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc(OC)c1O ZINC000237240014 970247390 /nfs/dbraw/zinc/24/73/90/970247390.db2.gz BPZJLLUINUXJIE-ROUUACIJSA-N 0 3 424.541 3.669 20 30 HHEDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3cccc(OCCCC#N)c3)cc2)C[C@H](C)O1 ZINC000237548769 970311010 /nfs/dbraw/zinc/31/10/10/970311010.db2.gz JAUPXMURZBAXMO-BGYRXZFFSA-N 0 3 421.541 3.908 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](NCc3cc([N+](=O)[O-])ccc3OC(F)F)C2)c(F)c1 ZINC000237828010 970376443 /nfs/dbraw/zinc/37/64/43/970376443.db2.gz BYPTXGGLDDBHHW-HNNXBMFYSA-N 0 3 420.391 3.966 20 30 HHEDHN N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCCN3Cc3ccccc32)ccc1C(F)(F)F ZINC000410329211 973894891 /nfs/dbraw/zinc/89/48/91/973894891.db2.gz GQJKOOXKHKSKLG-INIZCTEOSA-N 0 3 421.444 3.750 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCCC[C@H]1C ZINC000425940240 974050144 /nfs/dbraw/zinc/05/01/44/974050144.db2.gz ASKPBEOSEPMBHP-MSOLQXFVSA-N 0 3 420.513 3.668 20 30 HHEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426674688 974594659 /nfs/dbraw/zinc/59/46/59/974594659.db2.gz LRKPADLNVGFPLX-MSOLQXFVSA-N 0 3 420.513 3.526 20 30 HHEDHN COc1cc(CN2CCC(Cn3cncn3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000426747764 974632397 /nfs/dbraw/zinc/63/23/97/974632397.db2.gz RQQZMYCSMDMPCO-UHFFFAOYSA-N 0 3 417.513 3.650 20 30 HHEDHN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN[C@H](C)Cn3cccn3)sc2C1 ZINC000427003830 974815994 /nfs/dbraw/zinc/81/59/94/974815994.db2.gz ASZJGHPHGQDCGR-CVEARBPZSA-N 0 3 413.591 3.974 20 30 HHEDHN N#Cc1ccc(O[C@H]2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)C2)nc1 ZINC000428786590 976061642 /nfs/dbraw/zinc/06/16/42/976061642.db2.gz OBJCTZPMIYHXDX-HNNXBMFYSA-N 0 3 405.285 3.742 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@@H]2Cc3cccc(O)c3C2)c1C#N ZINC000429295056 976574965 /nfs/dbraw/zinc/57/49/65/976574965.db2.gz ACSGBWPSALKPHU-GOSISDBHSA-N 0 3 418.472 3.506 20 30 HHEDHN CCC1(CC)[C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@@H]1OC ZINC000429314941 976584351 /nfs/dbraw/zinc/58/43/51/976584351.db2.gz ZDQXLDJNWWRCCE-UXHICEINSA-N 0 3 412.534 3.740 20 30 HHEDHN CC1(C)Cc2c(cccc2Br)[C@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000429387254 976660710 /nfs/dbraw/zinc/66/07/10/976660710.db2.gz KZMDTTWSOHIUAH-HXUWFJFHSA-N 0 3 412.331 3.850 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)CC1 ZINC000429492960 976751250 /nfs/dbraw/zinc/75/12/50/976751250.db2.gz QAOIKOGOGWKFTA-OAQYLSRUSA-N 0 3 413.953 3.901 20 30 HHEDHN CC(C)N1CC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429771690 977058786 /nfs/dbraw/zinc/05/87/86/977058786.db2.gz NDFUOSYWKBILNC-TYPHKJRUSA-N 0 3 408.949 3.647 20 30 HHEDHN CC(C)N1CC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429771687 977058830 /nfs/dbraw/zinc/05/88/30/977058830.db2.gz NDFUOSYWKBILNC-JBACZVJFSA-N 0 3 408.949 3.647 20 30 HHEDHN N#Cc1ccc(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000429829384 977100105 /nfs/dbraw/zinc/10/01/05/977100105.db2.gz OCIZIPRAYUKNGV-UHFFFAOYSA-N 0 3 420.435 3.502 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2CCCN(Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000430931379 977896030 /nfs/dbraw/zinc/89/60/30/977896030.db2.gz COCUOFFVHSFZDA-DHIUTWEWSA-N 0 3 403.526 3.713 20 30 HHEDHN C=CCN1C(=O)N(C[C@@H](c2cccs2)N2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430969753 977919144 /nfs/dbraw/zinc/91/91/44/977919144.db2.gz FEGUBWFBPQDMNS-UXHICEINSA-N 0 3 409.555 3.947 20 30 HHEDHN C=CCN1C(=O)N(C[C@@H]2CCCN2Cc2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431265066 978150778 /nfs/dbraw/zinc/15/07/78/978150778.db2.gz GNMUHVSNUHUCBG-XZOQPEGZSA-N 0 3 403.526 3.713 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)Nc3cccc(C#N)c3C)CC2)c1 ZINC000432262714 978733568 /nfs/dbraw/zinc/73/35/68/978733568.db2.gz CJMQYYGXMHTOOM-UHFFFAOYSA-N 0 3 405.546 3.899 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cscc1Br ZINC000432658466 978927483 /nfs/dbraw/zinc/92/74/83/978927483.db2.gz OCQRFFAVLVFQNW-UHFFFAOYSA-N 0 3 406.349 3.515 20 30 HHEDHN Cc1ccccc1CN1CCN(C(=O)CN[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433013269 979041925 /nfs/dbraw/zinc/04/19/25/979041925.db2.gz WVPWJVILNHSOTJ-DEOSSOPVSA-N 0 3 404.558 3.664 20 30 HHEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000433094301 979069765 /nfs/dbraw/zinc/06/97/65/979069765.db2.gz UFRTZTUAJIAPHW-UHFFFAOYSA-N 0 3 418.463 3.847 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(Br)ccc1F ZINC000434000351 979748087 /nfs/dbraw/zinc/74/80/87/979748087.db2.gz ZFHBTVRFPYYANQ-UHFFFAOYSA-N 0 3 418.310 3.593 20 30 HHEDHN C[C@H]1CN(CCCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000434784730 980397595 /nfs/dbraw/zinc/39/75/95/980397595.db2.gz DLJRFEWWWGVKFN-OALUTQOASA-N 0 3 407.514 3.970 20 30 HHEDHN CCN(Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1COc2ccccc2O1 ZINC000434834891 980431897 /nfs/dbraw/zinc/43/18/97/980431897.db2.gz WGKJPBASJIUGRO-HXUWFJFHSA-N 0 3 403.486 3.521 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1-c1cc(C)ccc1C ZINC000435003574 980563506 /nfs/dbraw/zinc/56/35/06/980563506.db2.gz DYUNJDMLPZJHCJ-UHFFFAOYSA-N 0 3 415.541 3.873 20 30 HHEDHN N#CCCn1cc(CN2CCC(C(=O)NC3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000435134001 980665537 /nfs/dbraw/zinc/66/55/37/980665537.db2.gz VCDKJRJDYKIOGQ-UHFFFAOYSA-N 0 3 420.561 3.520 20 30 HHEDHN N#Cc1ccc(SCC(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000435380404 980828321 /nfs/dbraw/zinc/82/83/21/980828321.db2.gz RBTZVOZTFFLGND-HXUWFJFHSA-N 0 3 417.538 3.933 20 30 HHEDHN C=CCC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000435760654 981019371 /nfs/dbraw/zinc/01/93/71/981019371.db2.gz LOOMVMIRNRRMKE-KMDXXIMOSA-N 0 3 407.558 3.876 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000436373676 981333788 /nfs/dbraw/zinc/33/37/88/981333788.db2.gz TUEGEKISMLJSDT-FUDKSRODSA-N 0 3 423.561 3.741 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000436373686 981333823 /nfs/dbraw/zinc/33/38/23/981333823.db2.gz TUEGEKISMLJSDT-XPNTWCBSSA-N 0 3 423.561 3.741 20 30 HHEDHN Cc1c([C@@H](C)NC2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccccc1 ZINC000437099741 981761080 /nfs/dbraw/zinc/76/10/80/981761080.db2.gz RAEVQQIHQQBWMQ-YLZJTPGZSA-N 0 3 402.502 3.883 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@@H](Oc3ccncc3)C1)CCCCC2 ZINC000448519020 981845515 /nfs/dbraw/zinc/84/55/15/981845515.db2.gz BMLBFBIFNPQLEA-QGZVFWFLSA-N 0 3 410.543 3.766 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000437417424 982058624 /nfs/dbraw/zinc/05/86/24/982058624.db2.gz ZWBFCSUOYQZHQU-CVDCTZTESA-N 0 3 415.578 3.652 20 30 HHEDHN C=CCCOCCNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000460545687 982332398 /nfs/dbraw/zinc/33/23/98/982332398.db2.gz IUGWKMJZVWSVRE-UHFFFAOYSA-N 0 3 424.383 3.648 20 30 HHEDHN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000460562798 982348399 /nfs/dbraw/zinc/34/83/99/982348399.db2.gz IGOFFYGDOCJNDM-GOTSBHOMSA-N 0 3 422.621 3.612 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN(C)Cc2cccc(C)n2)c1C#N ZINC000437895352 982445132 /nfs/dbraw/zinc/44/51/32/982445132.db2.gz ISXQEHLIRVLITK-UHFFFAOYSA-N 0 3 405.502 3.782 20 30 HHEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000438184915 982638863 /nfs/dbraw/zinc/63/88/63/982638863.db2.gz YKJLKEFJVIDEDG-IBGZPJMESA-N 0 3 404.470 3.837 20 30 HHEDHN C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460952001 982685613 /nfs/dbraw/zinc/68/56/13/982685613.db2.gz NLVNOUHWPDNPPH-OALUTQOASA-N 0 3 413.566 3.751 20 30 HHEDHN COCCN1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000438657819 982975617 /nfs/dbraw/zinc/97/56/17/982975617.db2.gz XPIUUEBLHVMBEH-UHFFFAOYSA-N 0 3 412.465 3.722 20 30 HHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000439636717 983479342 /nfs/dbraw/zinc/47/93/42/983479342.db2.gz DJPZATVFLBQCCS-STSQHVNTSA-N 0 3 406.530 3.585 20 30 HHEDHN CCC[C@@H]1CN(CCOc2ccc(C#N)cc2)CCN1CCOc1ccc(C#N)cc1 ZINC000440567302 983798368 /nfs/dbraw/zinc/79/83/68/983798368.db2.gz WGUQQJYLFWGPNF-HSZRJFAPSA-N 0 3 418.541 3.674 20 30 HHEDHN CC(C)[C@H](CNc1c(C#N)cnc2c(Br)cccc21)N1CCN(C)CC1 ZINC000440673122 983847023 /nfs/dbraw/zinc/84/70/23/983847023.db2.gz DOIZIJYPPRVIGS-SFHVURJKSA-N 0 3 416.367 3.553 20 30 HHEDHN COC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000461728129 984743309 /nfs/dbraw/zinc/74/33/09/984743309.db2.gz HGJTTWJLUZAXDL-NRFANRHFSA-N 0 3 414.937 3.673 20 30 HHEDHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NCc2ccccc2C(C)(C)C#N)C1=O ZINC000442798692 985219535 /nfs/dbraw/zinc/21/95/35/985219535.db2.gz YTRSXWMSAHHWLT-WOJBJXKFSA-N 0 3 413.562 3.545 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000462807403 985738818 /nfs/dbraw/zinc/73/88/18/985738818.db2.gz AYKMQOXFIHZJLH-BTYIYWSLSA-N 0 3 406.555 3.803 20 30 HHEDHN CCN1CCN(c2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c(C)c2)CC1 ZINC000468254118 985953852 /nfs/dbraw/zinc/95/38/52/985953852.db2.gz HFEGXPWXCMSCTI-UHFFFAOYSA-N 0 3 415.497 3.916 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463017919 985974982 /nfs/dbraw/zinc/97/49/82/985974982.db2.gz YFUDWWKDUDBJPG-YADARESESA-N 0 3 418.541 3.632 20 30 HHEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000443836249 986034443 /nfs/dbraw/zinc/03/44/43/986034443.db2.gz GSWQNOLEBDUAQU-UWJYYQICSA-N 0 3 406.530 3.542 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443868209 986069941 /nfs/dbraw/zinc/06/99/41/986069941.db2.gz LXZDIVLHTGUOBJ-UHFFFAOYSA-N 0 3 420.391 3.689 20 30 HHEDHN N#CCCN(C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)c1cccc(Cl)c1 ZINC000463214343 986186067 /nfs/dbraw/zinc/18/60/67/986186067.db2.gz PKUFGKRJOVQGSO-NJDAHSKKSA-N 0 3 403.954 3.992 20 30 HHEDHN CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC(C)(C)C ZINC000463374123 986340409 /nfs/dbraw/zinc/34/04/09/986340409.db2.gz ZDEYVLNSPNICLS-QGZVFWFLSA-N 0 3 400.567 3.724 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463506347 986481502 /nfs/dbraw/zinc/48/15/02/986481502.db2.gz JNOBVMAADDAIQS-MSOLQXFVSA-N 0 3 401.432 3.669 20 30 HHEDHN COc1ccc(C[C@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)c2ccc(OC)cc2)cc1 ZINC000469151903 986875154 /nfs/dbraw/zinc/87/51/54/986875154.db2.gz WBDVLILIFKSPEK-JTSKRJEESA-N 0 3 407.514 3.528 20 30 HHEDHN CN1CCN(CCCNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 ZINC000469982914 987599515 /nfs/dbraw/zinc/59/95/15/987599515.db2.gz FLCQEFQACRCALF-QHCPKHFHSA-N 0 3 404.558 3.596 20 30 HHEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000463922746 988031542 /nfs/dbraw/zinc/03/15/42/988031542.db2.gz RFPBMIRSHWZYDB-PGRDOPGGSA-N 0 3 409.530 3.586 20 30 HHEDHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)CC2)c1 ZINC000470552730 988565622 /nfs/dbraw/zinc/56/56/22/988565622.db2.gz ZQKCTEIAFVBGKL-DQEYMECFSA-N 0 3 416.569 3.806 20 30 HHEDHN CC1CCN([C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000470758399 988800344 /nfs/dbraw/zinc/80/03/44/988800344.db2.gz YYDVTLCVOTVCRB-NHCUHLMSSA-N 0 3 406.555 3.891 20 30 HHEDHN CCCN1CCN(c2ccc(NC(=O)COc3ccccc3C#N)c(OCC)c2)CC1 ZINC000471170456 989296731 /nfs/dbraw/zinc/29/67/31/989296731.db2.gz TYQOOVZUJUSRRJ-UHFFFAOYSA-N 0 3 422.529 3.506 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Oc2ccccc2)ccn1 ZINC000465034455 989358829 /nfs/dbraw/zinc/35/88/29/989358829.db2.gz UDKVSBMDWFUQSI-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN CCN1CCN(c2cccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)c2)CC1 ZINC000471637757 989844343 /nfs/dbraw/zinc/84/43/43/989844343.db2.gz ZFXVXWPXRQVFKT-QHCPKHFHSA-N 0 3 406.530 3.742 20 30 HHEDHN C[C@H]1C[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000466522587 991816037 /nfs/dbraw/zinc/81/60/37/991816037.db2.gz NLRWJGIAKLTJCP-SIKLNZKXSA-N 0 3 418.541 3.774 20 30 HHEDHN CCN1CCN(c2ccc(NC(=O)Nc3ncccc3OCCCC#N)c(C)c2)CC1 ZINC000466610722 991927673 /nfs/dbraw/zinc/92/76/73/991927673.db2.gz REDHOUPCOQMQAB-UHFFFAOYSA-N 0 3 422.533 3.859 20 30 HHEDHN C[C@@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)CCN1Cc1ccccc1 ZINC000466614947 991931313 /nfs/dbraw/zinc/93/13/13/991931313.db2.gz ZPZNNDKHOIPSNN-LJQANCHMSA-N 0 3 407.518 3.892 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000467756109 993001104 /nfs/dbraw/zinc/00/11/04/993001104.db2.gz CSACTPMSNBANPB-YJBOKZPZSA-N 0 3 406.555 3.945 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000467824950 993057888 /nfs/dbraw/zinc/05/78/88/993057888.db2.gz CDBYZTYIHZKPNV-UHFFFAOYSA-N 0 3 408.546 3.654 20 30 HHEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(C#N)cc3Br)CC2)cc1 ZINC000480749622 993615780 /nfs/dbraw/zinc/61/57/80/993615780.db2.gz OEYCWJYKOUXIMG-UHFFFAOYSA-N 0 3 409.331 3.900 20 30 HHEDHN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC1CCN(C)CC1 ZINC000481142658 993977030 /nfs/dbraw/zinc/97/70/30/993977030.db2.gz WTNSSAMSWQCYDK-UHFFFAOYSA-N 0 3 412.559 3.849 20 30 HHEDHN Cc1cc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000473234437 994085859 /nfs/dbraw/zinc/08/58/59/994085859.db2.gz MJSSMYDLGVWTIH-QFIPXVFZSA-N 0 3 415.541 3.718 20 30 HHEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000482837971 995782983 /nfs/dbraw/zinc/78/29/83/995782983.db2.gz QHBZDISKYDMZNC-UHFFFAOYSA-N 0 3 407.514 3.559 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 ZINC000483765030 996373201 /nfs/dbraw/zinc/37/32/01/996373201.db2.gz QRJYNVWTJNXFPZ-OAHLLOKOSA-N 0 3 410.356 3.556 20 30 HHEDHN C=CCN(CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)CC1CCCCC1 ZINC000484545901 996878514 /nfs/dbraw/zinc/87/85/14/996878514.db2.gz TUVZWQHWWZQGSB-UHFFFAOYSA-N 0 3 411.590 3.784 20 30 HHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484669080 997008956 /nfs/dbraw/zinc/00/89/56/997008956.db2.gz JRBVVQZYMNPNFE-XKPAQYLNSA-N 0 3 414.638 3.653 20 30 HHEDHN CN(C)[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 ZINC000476597978 997104135 /nfs/dbraw/zinc/10/41/35/997104135.db2.gz OEQXRPZTXAMTSH-LZBANZJXSA-N 0 3 406.530 3.850 20 30 HHEDHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000477131853 997787328 /nfs/dbraw/zinc/78/73/28/997787328.db2.gz HMSJUDJVWKJWOS-OAQYLSRUSA-N 0 3 422.529 3.564 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486828258 998959562 /nfs/dbraw/zinc/95/95/62/998959562.db2.gz UARQLPWPEHWMPU-TYBLODHISA-N 0 3 423.557 3.544 20 30 HHEDHN Cc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000488479823 999502001 /nfs/dbraw/zinc/50/20/01/999502001.db2.gz BUFGXGYFCWCTAK-IIBYNOLFSA-N 0 3 424.932 3.628 20 30 HHEDHN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000488498071 999508306 /nfs/dbraw/zinc/50/83/06/999508306.db2.gz MXUDNYUCNMKHPL-QRWLVFNGSA-N 0 3 417.431 3.951 20 30 HHEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479687443 999537800 /nfs/dbraw/zinc/53/78/00/999537800.db2.gz FGESCPKVVNKIKE-FQEVSTJZSA-N 0 3 409.555 3.892 20 30 HHEDHN C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H](c1ccccc1)N(C)C ZINC000480297313 999765329 /nfs/dbraw/zinc/76/53/29/999765329.db2.gz UGMXUKBMWHFYSI-BTYIYWSLSA-N 0 3 406.465 3.696 20 30 HHEDHN COc1cc(N[C@@H]2CCCN(CCOc3ccc(C#N)cc3OC)C2)cc(OC)c1 ZINC000490019699 999878796 /nfs/dbraw/zinc/87/87/96/999878796.db2.gz PNTKIYDAGXSVPB-GOSISDBHSA-N 0 3 411.502 3.539 20 30 HHEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[C@H]2C1 ZINC000490402187 999951874 /nfs/dbraw/zinc/95/18/74/999951874.db2.gz PIEUAKUBNNMYRD-XXBNENTESA-N 0 3 404.514 3.890 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)CC1 ZINC000490522484 999971780 /nfs/dbraw/zinc/97/17/80/999971780.db2.gz ZDOPLYAFGJAZPT-UHFFFAOYSA-N 0 3 409.412 3.917 20 30 HHEDHN Cn1cc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491115957 1000047320 /nfs/dbraw/zinc/04/73/20/1000047320.db2.gz ZNJSTVODVGANHB-HXUWFJFHSA-N 0 3 413.525 3.601 20 30 HHEDHN Cn1cc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491207779 1000055370 /nfs/dbraw/zinc/05/53/70/1000055370.db2.gz ZHAPIBFZOWYKTJ-UHFFFAOYSA-N 0 3 417.488 3.949 20 30 HHEDHN Cn1cc(CN2CCC(C(=O)NC3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491228604 1000056975 /nfs/dbraw/zinc/05/69/75/1000056975.db2.gz RFMNDWWQNDYVRF-UHFFFAOYSA-N 0 3 405.546 3.620 20 30 HHEDHN CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000491238177 1000057634 /nfs/dbraw/zinc/05/76/34/1000057634.db2.gz GDHSOGVCARKOKH-UHFFFAOYSA-N 0 3 401.514 3.683 20 30 HHEDHN Cc1nc(SCC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c(C#N)c(C)c1C ZINC000494000602 1000262026 /nfs/dbraw/zinc/26/20/26/1000262026.db2.gz SQAVIXZKTXIJNH-WIYYLYMNSA-N 0 3 408.571 3.750 20 30 HHEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@H](OCC4CC4)C3)sc2C1 ZINC000494656199 1000591251 /nfs/dbraw/zinc/59/12/51/1000591251.db2.gz UKKZGWXWRZSCLY-RDJZCZTQSA-N 0 3 401.576 3.964 20 30 HHEDHN CCOc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000505204319 1000617287 /nfs/dbraw/zinc/61/72/87/1000617287.db2.gz NIHCRWMXMXEONC-GOSISDBHSA-N 0 3 424.545 3.800 20 30 HHEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000505431891 1000768814 /nfs/dbraw/zinc/76/88/14/1000768814.db2.gz BJKWDDMTLVHDPA-SFHVURJKSA-N 0 3 403.438 3.974 20 30 HHEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000505431890 1000769051 /nfs/dbraw/zinc/76/90/51/1000769051.db2.gz BJKWDDMTLVHDPA-GOSISDBHSA-N 0 3 403.438 3.974 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(F)cc1C(=O)OC ZINC000505613858 1000935164 /nfs/dbraw/zinc/93/51/64/1000935164.db2.gz VBCNJPPUXXQMDW-UHFFFAOYSA-N 0 3 418.538 3.711 20 30 HHEDHN N#Cc1cccc(COc2cccc(CN3CCC(C(=O)N4CCCC4)CC3)c2)c1 ZINC000506244762 1001303073 /nfs/dbraw/zinc/30/30/73/1001303073.db2.gz DEMCIHLHNLISAO-UHFFFAOYSA-N 0 3 403.526 3.972 20 30 HHEDHN N#Cc1ccccc1COc1cccc(CN2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000506270947 1001320528 /nfs/dbraw/zinc/32/05/28/1001320528.db2.gz WSQNBJBXECEEES-UHFFFAOYSA-N 0 3 403.526 3.972 20 30 HHEDHN N#Cc1ccc(CN2CCCN(Cc3c[nH]nc3-c3c(F)cccc3F)CC2)cc1 ZINC000506296961 1001337540 /nfs/dbraw/zinc/33/75/40/1001337540.db2.gz FUDPDENGSXRNLZ-UHFFFAOYSA-N 0 3 407.468 3.934 20 30 HHEDHN CCOc1cc(Cl)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000506572255 1001462057 /nfs/dbraw/zinc/46/20/57/1001462057.db2.gz FHTFGKHTLHAOQI-UHFFFAOYSA-N 0 3 414.937 3.884 20 30 HHEDHN Cc1cc(NC(=O)N2CCC(C)(C#N)CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000506745084 1001511588 /nfs/dbraw/zinc/51/15/88/1001511588.db2.gz UXEKRXNLJSTFTQ-FQEVSTJZSA-N 0 3 406.534 3.796 20 30 HHEDHN CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000498028574 1001612837 /nfs/dbraw/zinc/61/28/37/1001612837.db2.gz CIDUQUVKRSAXPL-TZIWHRDSSA-N 0 3 420.557 3.892 20 30 HHEDHN CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000498028574 1001612839 /nfs/dbraw/zinc/61/28/39/1001612839.db2.gz CIDUQUVKRSAXPL-TZIWHRDSSA-N 0 3 420.557 3.892 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1 ZINC000498382619 1001812757 /nfs/dbraw/zinc/81/27/57/1001812757.db2.gz FFZLWWFLQUVNEN-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN CCC(CC)[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000498388466 1001818061 /nfs/dbraw/zinc/81/80/61/1001818061.db2.gz DWMONQJFBXTRMI-YADHBBJMSA-N 0 3 400.567 3.615 20 30 HHEDHN CN(C)CCN(CC1CCCCC1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507470606 1002089961 /nfs/dbraw/zinc/08/99/61/1002089961.db2.gz VBWSJCHOVCXREO-UHFFFAOYSA-N 0 3 414.569 3.884 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(C2CCCC2)no1 ZINC000507815867 1002362685 /nfs/dbraw/zinc/36/26/85/1002362685.db2.gz SKBIZEBGQGWHIF-UHFFFAOYSA-N 0 3 402.568 3.825 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)COc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000507848533 1002387234 /nfs/dbraw/zinc/38/72/34/1002387234.db2.gz VVKSFZKSWJHZOZ-GOSISDBHSA-N 0 3 420.431 3.860 20 30 HHEDHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)N(CCC#N)c1ccccc1 ZINC000507894010 1002427783 /nfs/dbraw/zinc/42/77/83/1002427783.db2.gz KCMDLCLFLJLYQW-NRFANRHFSA-N 0 3 400.910 3.819 20 30 HHEDHN C=CCn1c(-c2ccccc2Br)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508480715 1002965314 /nfs/dbraw/zinc/96/53/14/1002965314.db2.gz JLPSBAWFVFFVMB-QGZVFWFLSA-N 0 3 404.356 3.670 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000499792012 1003127834 /nfs/dbraw/zinc/12/78/34/1003127834.db2.gz ORGSVIVFKASAIY-UHFFFAOYSA-N 0 3 421.545 3.548 20 30 HHEDHN C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(CC2CC2)CC1 ZINC000508800613 1003227983 /nfs/dbraw/zinc/22/79/83/1003227983.db2.gz GVTRYLGENDBXSR-UHFFFAOYSA-N 0 3 419.529 3.835 20 30 HHEDHN C=CCn1c(-c2ncccc2C)nnc1N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000508847700 1003269041 /nfs/dbraw/zinc/26/90/41/1003269041.db2.gz LEWGUGPODFKZAZ-NRFANRHFSA-N 0 3 402.546 3.935 20 30 HHEDHN C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508876059 1003295944 /nfs/dbraw/zinc/29/59/44/1003295944.db2.gz WNSGKYLFFPVIIC-PMACEKPBSA-N 0 3 424.593 3.550 20 30 HHEDHN C=CCN1CC[C@H](N(C)CCCC(=O)Nc2c(CC)ccc(Cl)c2CC)C1=O ZINC000500000246 1003318359 /nfs/dbraw/zinc/31/83/59/1003318359.db2.gz XKYGEKZAAGPXSL-IBGZPJMESA-N 0 3 405.970 3.902 20 30 HHEDHN C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508900131 1003333465 /nfs/dbraw/zinc/33/34/65/1003333465.db2.gz AHNZGXKNPYJBJY-MBSDFSHPSA-N 0 3 406.530 3.802 20 30 HHEDHN C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000508921757 1003360483 /nfs/dbraw/zinc/36/04/83/1003360483.db2.gz MUVIPNMFLLULGV-JOCHJYFZSA-N 0 3 409.578 3.555 20 30 HHEDHN CC[C@H](C)N[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccco1 ZINC000509553517 1003941305 /nfs/dbraw/zinc/94/13/05/1003941305.db2.gz HQJSQUPEJNHPSF-ICSRJNTNSA-N 0 3 409.534 3.502 20 30 HHEDHN COc1ccc(CN2CCc3cc(OC)c(OC)cc3CC2)cc1OCCCC#N ZINC000512068463 1003997897 /nfs/dbraw/zinc/99/78/97/1003997897.db2.gz RIPYDFFREAFNCQ-UHFFFAOYSA-N 0 3 410.514 3.996 20 30 HHEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000512340898 1004229247 /nfs/dbraw/zinc/22/92/47/1004229247.db2.gz AMBCFELLOUNMJX-GOTSBHOMSA-N 0 3 402.498 3.973 20 30 HHEDHN COc1ccc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1OCCCC#N ZINC000512595531 1004411054 /nfs/dbraw/zinc/41/10/54/1004411054.db2.gz RBSFKKDKJSIUMN-UHFFFAOYSA-N 0 3 423.513 3.934 20 30 HHEDHN CC(C)[C@H](C)NC(=O)C1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000512609823 1004423191 /nfs/dbraw/zinc/42/31/91/1004423191.db2.gz RBQGBNOPYMNCDJ-IBGZPJMESA-N 0 3 407.562 3.836 20 30 HHEDHN C=CCc1cc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc(OC)c1O ZINC000512648950 1004460186 /nfs/dbraw/zinc/46/01/86/1004460186.db2.gz RQXPPIYVYCVEIO-UHFFFAOYSA-N 0 3 405.498 3.852 20 30 HHEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000510347073 1004498316 /nfs/dbraw/zinc/49/83/16/1004498316.db2.gz GOLFJXOFTUWBDK-UHFFFAOYSA-N 0 3 416.525 3.714 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000512831371 1004589410 /nfs/dbraw/zinc/58/94/10/1004589410.db2.gz CILBWHUDAJJLDM-HYBUGGRVSA-N 0 3 424.516 3.996 20 30 HHEDHN Cc1nc(-c2ccc(CNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)o2)cs1 ZINC000501726185 1004648311 /nfs/dbraw/zinc/64/83/11/1004648311.db2.gz KWIPCPAFAJFVTA-UHFFFAOYSA-N 0 3 423.542 3.857 20 30 HHEDHN N#Cc1ccc(N2CCC(C(=O)NC[C@H]3CCCN3Cc3ccccc3)CC2)c(F)c1 ZINC000512929962 1004702691 /nfs/dbraw/zinc/70/26/91/1004702691.db2.gz KUQRBHGCUGHBIN-JOCHJYFZSA-N 0 3 420.532 3.695 20 30 HHEDHN N#Cc1cccc(NC(=O)CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1 ZINC000513204038 1004859234 /nfs/dbraw/zinc/85/92/34/1004859234.db2.gz BKXKGLBOCYGHKL-HXUWFJFHSA-N 0 3 403.404 3.507 20 30 HHEDHN Cc1ccc([C@@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)N(C)C)cc1 ZINC000511010747 1004978674 /nfs/dbraw/zinc/97/86/74/1004978674.db2.gz BRVQZUOSJNAZRQ-LZBANZJXSA-N 0 3 421.545 3.554 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1)[C@H]1CCCN(C)C1 ZINC000513466286 1004979393 /nfs/dbraw/zinc/97/93/93/1004979393.db2.gz CFYXQVBOXPGTHW-SFHVURJKSA-N 0 3 410.905 3.630 20 30 HHEDHN N#Cc1ccc(OCCN2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1 ZINC000502386712 1005050197 /nfs/dbraw/zinc/05/01/97/1005050197.db2.gz QCPRGVJNPRFOLJ-FQEVSTJZSA-N 0 3 415.497 3.792 20 30 HHEDHN CN1CCN(CCCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000502405583 1005060944 /nfs/dbraw/zinc/06/09/44/1005060944.db2.gz JSQBZLWSJFEAGC-HSZRJFAPSA-N 0 3 419.573 3.988 20 30 HHEDHN O=C(NCC#Cc1cccc(F)c1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000513911919 1005184725 /nfs/dbraw/zinc/18/47/25/1005184725.db2.gz WMJURNLJNBXBJR-OAQYLSRUSA-N 0 3 404.407 3.748 20 30 HHEDHN C[C@@H]1CCC[C@H](N(CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000513959648 1005202998 /nfs/dbraw/zinc/20/29/98/1005202998.db2.gz QUPXAWFSTHKLNF-UDABPDOUSA-N 0 3 411.546 3.850 20 30 HHEDHN N#Cc1ccc(CNC(=O)CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 ZINC000511579809 1005232745 /nfs/dbraw/zinc/23/27/45/1005232745.db2.gz WAJOTEVJLLXRDF-HXUWFJFHSA-N 0 3 403.404 3.814 20 30 HHEDHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000514242084 1005329136 /nfs/dbraw/zinc/32/91/36/1005329136.db2.gz PVUNPPSOXGEBPW-ZBFHGGJFSA-N 0 3 402.539 3.598 20 30 HHEDHN N#CCCn1cc(CN2CCC(NC(=O)c3ccsc3)CC2)c(-c2ccccc2)n1 ZINC000511796768 1005333096 /nfs/dbraw/zinc/33/30/96/1005333096.db2.gz ZJCSMDHWPZPJEO-UHFFFAOYSA-N 0 3 419.554 3.920 20 30 HHEDHN COc1cc(OC)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000503440032 1005421147 /nfs/dbraw/zinc/42/11/47/1005421147.db2.gz WNRYIZQRGVLUOS-UHFFFAOYSA-N 0 3 416.909 3.825 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(Nc3ccccn3)CC1)CCCC2 ZINC000534126594 1006101680 /nfs/dbraw/zinc/10/16/80/1006101680.db2.gz NKHZIWLNQABXKG-UHFFFAOYSA-N 0 3 409.559 3.799 20 30 HHEDHN Cc1[nH]c(=O)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1-c1ccccc1 ZINC000531413525 1006179932 /nfs/dbraw/zinc/17/99/32/1006179932.db2.gz JPPBLCJRWNJGDK-UHFFFAOYSA-N 0 3 414.509 3.838 20 30 HHEDHN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000534508865 1006506958 /nfs/dbraw/zinc/50/69/58/1006506958.db2.gz YNVHURLVDZWOMC-UHFFFAOYSA-N 0 3 401.514 3.769 20 30 HHEDHN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000538390557 1006660566 /nfs/dbraw/zinc/66/05/66/1006660566.db2.gz BTRPGIYMQBZXMR-HXOBKFHXSA-N 0 3 405.498 3.834 20 30 HHEDHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)C2)CC1 ZINC000532351044 1006810912 /nfs/dbraw/zinc/81/09/12/1006810912.db2.gz YIOWZDKTFDPQBQ-DEOSSOPVSA-N 0 3 416.569 3.719 20 30 HHEDHN CC[N@H+](CCC1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1)CC1CC1 ZINC000538915465 1007200050 /nfs/dbraw/zinc/20/00/50/1007200050.db2.gz MPHUKBQJCSJOKO-UHFFFAOYSA-N 0 3 412.578 3.569 20 30 HHEDHN CC[N@@H+](CCC1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1)CC1CC1 ZINC000538915465 1007200057 /nfs/dbraw/zinc/20/00/57/1007200057.db2.gz MPHUKBQJCSJOKO-UHFFFAOYSA-N 0 3 412.578 3.569 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C[C@@H](C)O)C2CCCCC2)c1C#N ZINC000532966129 1007332564 /nfs/dbraw/zinc/33/25/64/1007332564.db2.gz DKVCGOXWZXSTJV-MRXNPFEDSA-N 0 3 412.534 3.572 20 30 HHEDHN CCN1CCN(CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000517084991 1007399014 /nfs/dbraw/zinc/39/90/14/1007399014.db2.gz JBMFANRTXMBDKM-UHFFFAOYSA-N 0 3 422.598 3.608 20 30 HHEDHN C=C[C@H](CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000535356364 1007413149 /nfs/dbraw/zinc/41/31/49/1007413149.db2.gz VKVKROYDPCBXIE-DHIUTWEWSA-N 0 3 418.585 3.802 20 30 HHEDHN CCOc1ccc(C#N)cc1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000517290900 1007542772 /nfs/dbraw/zinc/54/27/72/1007542772.db2.gz GOTDYYJWYNGAED-UHFFFAOYSA-N 0 3 407.518 3.523 20 30 HHEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCCN(Cc2ccccc2)CC1 ZINC000533229379 1007551523 /nfs/dbraw/zinc/55/15/23/1007551523.db2.gz FKUNWOKJJVHREK-QGZVFWFLSA-N 0 3 408.571 3.643 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cc(Br)c(OCCC)c(OC)c2)CC1 ZINC000517304274 1007552487 /nfs/dbraw/zinc/55/24/87/1007552487.db2.gz BTSJQLJDLWTKFC-UHFFFAOYSA-N 0 3 411.340 3.627 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C[C@H](C)O)C2CCCCC2)c1C#N ZINC000533285005 1007597679 /nfs/dbraw/zinc/59/76/79/1007597679.db2.gz LUGRQEVCPOLFBY-SFHVURJKSA-N 0 3 422.573 3.979 20 30 HHEDHN COCCOC1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533297572 1007613026 /nfs/dbraw/zinc/61/30/26/1007613026.db2.gz VJUHFGLRSHGUAN-UHFFFAOYSA-N 0 3 410.514 3.773 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000539330969 1007631379 /nfs/dbraw/zinc/63/13/79/1007631379.db2.gz STOKVDGAVHHNAA-UXHICEINSA-N 0 3 416.529 3.870 20 30 HHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000533386796 1007698870 /nfs/dbraw/zinc/69/88/70/1007698870.db2.gz WKBJSTUOICFZML-GOSISDBHSA-N 0 3 400.542 3.904 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N1CCCC[C@H]1C ZINC000517853108 1008014276 /nfs/dbraw/zinc/01/42/76/1008014276.db2.gz LUKBZKNRLSVHFP-QZTJIDSGSA-N 0 3 420.513 3.668 20 30 HHEDHN Cc1cc(NC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)nn1CCC#N ZINC000539715197 1008030370 /nfs/dbraw/zinc/03/03/70/1008030370.db2.gz JHYOHFMBXDDCDP-KRWDZBQOSA-N 0 3 400.552 3.761 20 30 HHEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)nn1CCC#N ZINC000539717055 1008033044 /nfs/dbraw/zinc/03/30/44/1008033044.db2.gz DYZKMYRHBBCNFJ-UHFFFAOYSA-N 0 3 422.455 3.720 20 30 HHEDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000539818565 1008113041 /nfs/dbraw/zinc/11/30/41/1008113041.db2.gz XPKADOAFWYNDQU-DNQXCXABSA-N 0 3 406.526 3.889 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000540224819 1008342822 /nfs/dbraw/zinc/34/28/22/1008342822.db2.gz JUDKUPDTFDZXTH-UHFFFAOYSA-N 0 3 420.435 3.937 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000518593676 1008359094 /nfs/dbraw/zinc/35/90/94/1008359094.db2.gz ZQOGWTDMEQWYLE-SFHVURJKSA-N 0 3 420.513 3.588 20 30 HHEDHN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000540359587 1008398846 /nfs/dbraw/zinc/39/88/46/1008398846.db2.gz CULWIMAICUZLRT-ZWKOTPCHSA-N 0 3 405.477 3.997 20 30 HHEDHN Cc1ccnc(OC2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000542976751 1008551022 /nfs/dbraw/zinc/55/10/22/1008551022.db2.gz JSXVFCVJZGYMOK-UHFFFAOYSA-N 0 3 410.543 3.684 20 30 HHEDHN N#CC(C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccncn1 ZINC000545446287 1008559239 /nfs/dbraw/zinc/55/92/39/1008559239.db2.gz GKNPIFXHIMMKCF-GOSISDBHSA-N 0 3 408.527 3.755 20 30 HHEDHN CCN1CC[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549116361 1008683214 /nfs/dbraw/zinc/68/32/14/1008683214.db2.gz NBLWHSWXWQMPTJ-FPOVZHCZSA-N 0 3 400.885 3.714 20 30 HHEDHN N#CCCn1cc(C=Cc2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)c2ccccc21 ZINC000545847785 1008934488 /nfs/dbraw/zinc/93/44/88/1008934488.db2.gz ILNXZLCUYDMLQJ-XFLGFHDOSA-N 0 3 400.486 3.964 20 30 HHEDHN CCOc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc(Cl)c1O ZINC000545851489 1008938222 /nfs/dbraw/zinc/93/82/22/1008938222.db2.gz XRJGSQLNLZRVDK-UHFFFAOYSA-N 0 3 413.905 3.732 20 30 HHEDHN C=CCN(CCc1ccccc1)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000520125074 1009278634 /nfs/dbraw/zinc/27/86/34/1009278634.db2.gz BLRBLFIMECJOIA-UHFFFAOYSA-N 0 3 420.601 3.764 20 30 HHEDHN CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000549815241 1009422088 /nfs/dbraw/zinc/42/20/88/1009422088.db2.gz KDSQFMUGNFCFPR-UHFFFAOYSA-N 0 3 422.577 3.839 20 30 HHEDHN N#CCCCOc1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000520314223 1009441164 /nfs/dbraw/zinc/44/11/64/1009441164.db2.gz NRGPQIFVHDTDCF-UHFFFAOYSA-N 0 3 406.530 3.910 20 30 HHEDHN N#Cc1cccc(OC2CCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)c1 ZINC000520606677 1009683181 /nfs/dbraw/zinc/68/31/81/1009683181.db2.gz KNKWDMBAPABSEI-QFIPXVFZSA-N 0 3 402.494 3.995 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000546752887 1009720045 /nfs/dbraw/zinc/72/00/45/1009720045.db2.gz GNCJVXHENDAZDS-XZOQPEGZSA-N 0 3 424.520 3.691 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000520683348 1009752983 /nfs/dbraw/zinc/75/29/83/1009752983.db2.gz VPAGHLJCHOHJEZ-UHFFFAOYSA-N 0 3 401.514 3.705 20 30 HHEDHN C[C@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000520985623 1010026045 /nfs/dbraw/zinc/02/60/45/1010026045.db2.gz SAFPQAWUNMGUOJ-INIZCTEOSA-N 0 3 419.447 3.935 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(F)c1Br ZINC000550648611 1010081786 /nfs/dbraw/zinc/08/17/86/1010081786.db2.gz AQVBOUHHDAFYQR-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000550678689 1010096592 /nfs/dbraw/zinc/09/65/92/1010096592.db2.gz OWYYYIYXJMQKJX-NXXCRTJYSA-N 0 3 418.875 3.852 20 30 HHEDHN N#Cc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1Cl ZINC000521170475 1010203055 /nfs/dbraw/zinc/20/30/55/1010203055.db2.gz ORWCBADRLCPHLT-YQQQUEKLSA-N 0 3 415.946 3.686 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)CC1 ZINC000547276922 1010222435 /nfs/dbraw/zinc/22/24/35/1010222435.db2.gz PNTICSNRRUJVNV-FQEVSTJZSA-N 0 3 401.942 3.503 20 30 HHEDHN N#CC(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccncn1 ZINC000544816221 1010409970 /nfs/dbraw/zinc/40/99/70/1010409970.db2.gz FQACEJGLWGGYAI-ZDUSSCGKSA-N 0 3 411.215 3.574 20 30 HHEDHN CC(=O)Nc1cccc([C@@H](C)NCC#CCN[C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000551396560 1010559813 /nfs/dbraw/zinc/55/98/13/1010559813.db2.gz UDWRAKDKUQIPJO-QZTJIDSGSA-N 0 3 406.530 3.608 20 30 HHEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000540575904 1011233626 /nfs/dbraw/zinc/23/36/26/1011233626.db2.gz XQAWWKZRZHGEEL-UWJYYQICSA-N 0 3 405.926 3.607 20 30 HHEDHN CC[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000540591683 1011248646 /nfs/dbraw/zinc/24/86/46/1011248646.db2.gz KJZZEPXMEQKETR-DHIUTWEWSA-N 0 3 408.521 3.584 20 30 HHEDHN CN1CC[C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H]1c1ccccc1 ZINC000536225452 1011372964 /nfs/dbraw/zinc/37/29/64/1011372964.db2.gz KYPYXXPZXUENFJ-ICOILDSSSA-N 0 3 418.541 3.993 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)N1CCCC[C@@H]1C ZINC000523053542 1011523110 /nfs/dbraw/zinc/52/31/10/1011523110.db2.gz VDQXWNBKYWTTBA-ROUUACIJSA-N 0 3 420.513 3.668 20 30 HHEDHN Cc1cc(NC(=O)N2CCC(CC#N)CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000541040366 1011677720 /nfs/dbraw/zinc/67/77/20/1011677720.db2.gz ALSBTLXYDXPFHM-NRFANRHFSA-N 0 3 406.534 3.796 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129160 1011786337 /nfs/dbraw/zinc/78/63/37/1011786337.db2.gz UMWDXBZBUJMJBL-MSOLQXFVSA-N 0 3 409.452 3.707 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129162 1011787300 /nfs/dbraw/zinc/78/73/00/1011787300.db2.gz UMWDXBZBUJMJBL-ROUUACIJSA-N 0 3 409.452 3.707 20 30 HHEDHN Cn1cc(CN2CCCN(c3ccc(F)c(F)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000551734725 1011895217 /nfs/dbraw/zinc/89/52/17/1011895217.db2.gz ZCWVQFNMKPIZHA-UHFFFAOYSA-N 0 3 407.468 3.949 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)N(CCOC)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000524046811 1012797745 /nfs/dbraw/zinc/79/77/45/1012797745.db2.gz LGDMJFWQOGFXTL-HSZRJFAPSA-N 0 3 408.546 3.582 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)n1C1CCOCC1 ZINC001625995986 1072507543 /nfs/dbraw/zinc/50/75/43/1072507543.db2.gz AVYIVIKXEIPNAC-UHFFFAOYSA-N 0 3 408.546 3.532 20 30 HHEDHN N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C2)c(F)c1 ZINC000587121349 1072512190 /nfs/dbraw/zinc/51/21/90/1072512190.db2.gz UQATYCXPJJDRFZ-GMAHTHKFSA-N 0 3 420.532 3.867 20 30 HHEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)N(C)C)cc1 ZINC000588664859 1073081983 /nfs/dbraw/zinc/08/19/83/1073081983.db2.gz CYHPSNYTFFMRHZ-DHIUTWEWSA-N 0 3 406.530 3.935 20 30 HHEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000555176309 1073235827 /nfs/dbraw/zinc/23/58/27/1073235827.db2.gz KUGGJLNPSQDAFB-FQEVSTJZSA-N 0 3 412.559 3.615 20 30 HHEDHN CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)CC1 ZINC000555435038 1073468147 /nfs/dbraw/zinc/46/81/47/1073468147.db2.gz BTYRHRAEOJKGDD-UHFFFAOYSA-N 0 3 406.559 3.705 20 30 HHEDHN C[C@@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c(Br)c1 ZINC000590192831 1073637504 /nfs/dbraw/zinc/63/75/04/1073637504.db2.gz HFEUHGQHIURLFY-CZUORRHYSA-N 0 3 407.283 3.745 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)CC1 ZINC000592076539 1074688233 /nfs/dbraw/zinc/68/82/33/1074688233.db2.gz CXHXNRKQMOYFFV-UHFFFAOYSA-N 0 3 406.452 3.970 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 ZINC000592336191 1074731114 /nfs/dbraw/zinc/73/11/14/1074731114.db2.gz YLODUNQDJWCGQA-UHFFFAOYSA-N 0 3 424.520 3.918 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2cc(Br)ccc2OC(F)F)CC1 ZINC000592514611 1074777765 /nfs/dbraw/zinc/77/77/65/1074777765.db2.gz PKPSIDCALVNBPU-UHFFFAOYSA-N 0 3 418.282 3.500 20 30 HHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nnc(C3CCCC3)o2)cc1Cl ZINC000761038386 1075235850 /nfs/dbraw/zinc/23/58/50/1075235850.db2.gz RJOYAOJPQBCPGR-AWEZNQCLSA-N 0 3 416.865 3.669 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)c1 ZINC000596842814 1075586075 /nfs/dbraw/zinc/58/60/75/1075586075.db2.gz XVRZEZBMUFVPEN-UHFFFAOYSA-N 0 3 417.513 3.771 20 30 HHEDHN Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nn2)cc1 ZINC001164721676 720338974 /nfs/dbraw/zinc/33/89/74/720338974.db2.gz CZHJSFWMTTWPSX-QPTUXGOLSA-N 0 3 410.525 3.689 20 30 HHEDHN CCN1CCN(Cc2ccccc2CNc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000301251139 970832281 /nfs/dbraw/zinc/83/22/81/970832281.db2.gz CBLBOYFPCWDOTN-UHFFFAOYSA-N 0 3 403.452 3.722 20 30 HHEDHN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCCC1 ZINC000301764744 971058006 /nfs/dbraw/zinc/05/80/06/971058006.db2.gz ROPWLMWIQZRKRW-QGZVFWFLSA-N 0 3 422.510 3.536 20 30 HHEDHN N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000301875038 971094956 /nfs/dbraw/zinc/09/49/56/971094956.db2.gz MBRIVARLUAXRNX-ROUUACIJSA-N 0 3 424.451 3.755 20 30 HHEDHN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000303157657 971533194 /nfs/dbraw/zinc/53/31/94/971533194.db2.gz OGNXNNWGHFBIIY-MRXNPFEDSA-N 0 3 419.447 3.935 20 30 HHEDHN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000303157655 971533609 /nfs/dbraw/zinc/53/36/09/971533609.db2.gz OGNXNNWGHFBIIY-INIZCTEOSA-N 0 3 419.447 3.935 20 30 HHEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000303313978 971622278 /nfs/dbraw/zinc/62/22/78/971622278.db2.gz SYSMLEVCTXNBEX-MRXNPFEDSA-N 0 3 424.372 3.612 20 30 HHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000303425852 971707306 /nfs/dbraw/zinc/70/73/06/971707306.db2.gz ZOIBLMSHAZQFOT-GOSISDBHSA-N 0 3 402.608 3.931 20 30 HHEDHN C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000303788955 972028354 /nfs/dbraw/zinc/02/83/54/972028354.db2.gz JPVGPWSHBNHPFZ-QFBILLFUSA-N 0 3 417.962 3.885 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)N(CC2CCCCC2)CC2CCCCC2)CC1 ZINC000553330180 1013279751 /nfs/dbraw/zinc/27/97/51/1013279751.db2.gz ZQPVAMSHDFJHCV-UHFFFAOYSA-N 0 3 403.611 3.742 20 30 HHEDHN N#Cc1ccc(CN2CCCN(CCOc3cccc(Br)c3)CC2)cc1 ZINC000022850293 963728594 /nfs/dbraw/zinc/72/85/94/963728594.db2.gz MWSGHRZSZQAPDK-UHFFFAOYSA-N 0 3 414.347 3.907 20 30 HHEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)nc(C)n1 ZINC000049405925 964168604 /nfs/dbraw/zinc/16/86/04/964168604.db2.gz GZABICBFHHKPTE-LJQANCHMSA-N 0 3 402.454 3.512 20 30 HHEDHN N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)cc1 ZINC000025081370 964168930 /nfs/dbraw/zinc/16/89/30/964168930.db2.gz YSYZXQQPKMFOKE-UHFFFAOYSA-N 0 3 419.916 3.950 20 30 HHEDHN C=CCOc1c(Br)cc(CNC[C@H]2COc3ccccc3O2)cc1OC ZINC000025261613 964220645 /nfs/dbraw/zinc/22/06/45/964220645.db2.gz QLPDKKKRMTWPGU-HNNXBMFYSA-N 0 3 420.303 3.952 20 30 HHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCCN(Cc3ccccc3)CC2)c1C ZINC000051508288 964597509 /nfs/dbraw/zinc/59/75/09/964597509.db2.gz KALFSWNYMGXEMQ-UHFFFAOYSA-N 0 3 404.558 3.758 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccccc1Br ZINC000055388369 965837740 /nfs/dbraw/zinc/83/77/40/965837740.db2.gz ZWJLRVJFWLOMKM-UHFFFAOYSA-N 0 3 414.347 3.844 20 30 HHEDHN N#Cc1ccccc1NC(=O)CCN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000060090211 966060076 /nfs/dbraw/zinc/06/00/76/966060076.db2.gz KVWLBXNRFKQKBO-FQEVSTJZSA-N 0 3 405.502 3.563 20 30 HHEDHN CC(C)OCCN1CCC(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000538064206 1013640239 /nfs/dbraw/zinc/64/02/39/1013640239.db2.gz OBEBKDORPRIBRP-UHFFFAOYSA-N 0 3 420.557 3.914 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000041167550 966526983 /nfs/dbraw/zinc/52/69/83/966526983.db2.gz ADKRQWPHGUJVIT-OAQYLSRUSA-N 0 3 419.573 3.829 20 30 HHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1cccc(C#N)c1 ZINC000062485214 966688262 /nfs/dbraw/zinc/68/82/62/966688262.db2.gz WKTNTTYVLNVFJA-UHFFFAOYSA-N 0 3 404.436 3.850 20 30 HHEDHN CC(C)[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000043105288 966905984 /nfs/dbraw/zinc/90/59/84/966905984.db2.gz BFHKXHNAPXNQSU-QFIPXVFZSA-N 0 3 418.545 3.905 20 30 HHEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000064140932 967063039 /nfs/dbraw/zinc/06/30/39/967063039.db2.gz OOJXPKFJLVXUAQ-INIZCTEOSA-N 0 3 409.711 3.846 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000064390874 967167414 /nfs/dbraw/zinc/16/74/14/967167414.db2.gz KEANLFOMHRFGMQ-UHFFFAOYSA-N 0 3 407.905 3.601 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1C ZINC000047011559 968031184 /nfs/dbraw/zinc/03/11/84/968031184.db2.gz VHOOENRCONMDNR-UHFFFAOYSA-N 0 3 401.514 3.565 20 30 HHEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Br ZINC000047011117 968031437 /nfs/dbraw/zinc/03/14/37/968031437.db2.gz GLQVCEMYPWPFLY-UHFFFAOYSA-N 0 3 416.319 3.533 20 30 HHEDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1OCC(C)C ZINC000047010758 968031674 /nfs/dbraw/zinc/03/16/74/968031674.db2.gz PQLZVMNACDWRAU-UHFFFAOYSA-N 0 3 409.530 3.806 20 30 HHEDHN CC1CCN(CCNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 ZINC000047783186 968311491 /nfs/dbraw/zinc/31/14/91/968311491.db2.gz PTROWGFMMTVBPS-UHFFFAOYSA-N 0 3 416.576 3.555 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1cccc(C(F)(F)F)c1 ZINC000065931333 968721591 /nfs/dbraw/zinc/72/15/91/968721591.db2.gz YIQUVHTVTLESML-UHFFFAOYSA-N 0 3 405.420 3.546 20 30 HHEDHN Cc1cc([C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2CC2)ccc1F ZINC000538322559 1013849151 /nfs/dbraw/zinc/84/91/51/1013849151.db2.gz CHCZZLMCZPKPGE-QFIPXVFZSA-N 0 3 403.461 3.871 20 30 HHEDHN CCn1c2ccccc2nc1SCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000107876082 969341976 /nfs/dbraw/zinc/34/19/76/969341976.db2.gz ZKFUAXXIMWZHFS-UHFFFAOYSA-N 0 3 421.570 3.610 20 30 HHEDHN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000111176565 969794731 /nfs/dbraw/zinc/79/47/31/969794731.db2.gz CCCMFLCHLMXIMW-QHCPKHFHSA-N 0 3 417.488 3.757 20 30 HHEDHN COc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000113144799 969825205 /nfs/dbraw/zinc/82/52/05/969825205.db2.gz JNIGLJZVDOGUBK-LLVKDONJSA-N 0 3 408.197 3.871 20 30 HHEDHN N#CC(C(=O)COCCc1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000138652159 970006311 /nfs/dbraw/zinc/00/63/11/970006311.db2.gz IDINUYIFWBMZID-KRWDZBQOSA-N 0 3 404.438 3.908 20 30 HHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236897788 970186143 /nfs/dbraw/zinc/18/61/43/970186143.db2.gz XLOUDXKITPCCII-HXUWFJFHSA-N 0 3 405.458 3.966 20 30 HHEDHN C=CCOc1ccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC000237240150 970247131 /nfs/dbraw/zinc/24/71/31/970247131.db2.gz XSCLMRUNYXMMLM-OALUTQOASA-N 0 3 424.541 3.799 20 30 HHEDHN COc1ccc(C(=O)Nc2cccc(CNCCOc3ccc(C#N)cc3)c2)cc1 ZINC000237463779 970293300 /nfs/dbraw/zinc/29/33/00/970293300.db2.gz OYIIKIYZUDTYEU-UHFFFAOYSA-N 0 3 401.466 3.988 20 30 HHEDHN CN1CCC[C@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1cccs1 ZINC000409734058 973208410 /nfs/dbraw/zinc/20/84/10/973208410.db2.gz NBMWEXSISJVWIE-UTKZUKDTSA-N 0 3 405.527 3.618 20 30 HHEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409843433 973312093 /nfs/dbraw/zinc/31/20/93/973312093.db2.gz NTXGAIARXKIWNU-UHFFFAOYSA-N 0 3 407.905 3.601 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCCC[C@H]1C ZINC000425940243 974049964 /nfs/dbraw/zinc/04/99/64/974049964.db2.gz ASKPBEOSEPMBHP-QZTJIDSGSA-N 0 3 420.513 3.668 20 30 HHEDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426561914 974529225 /nfs/dbraw/zinc/52/92/25/974529225.db2.gz YMKISRVWVUDXLB-FQEVSTJZSA-N 0 3 420.513 3.670 20 30 HHEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426561915 974529392 /nfs/dbraw/zinc/52/93/92/974529392.db2.gz YMKISRVWVUDXLB-HXUWFJFHSA-N 0 3 420.513 3.670 20 30 HHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000428190271 975517075 /nfs/dbraw/zinc/51/70/75/975517075.db2.gz DXQZGHWXWAINKN-UHFFFAOYSA-N 0 3 420.494 3.803 20 30 HHEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429035364 976318310 /nfs/dbraw/zinc/31/83/10/976318310.db2.gz LSMYAISLIKMBOF-DEOSSOPVSA-N 0 3 420.557 3.769 20 30 HHEDHN CC1(C)Cc2ccc(Br)cc2[C@@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000429286080 976568429 /nfs/dbraw/zinc/56/84/29/976568429.db2.gz QKZYFAAKBFSKDL-FQEVSTJZSA-N 0 3 412.331 3.850 20 30 HHEDHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000429395042 976669360 /nfs/dbraw/zinc/66/93/60/976669360.db2.gz AYFOSXMGVXPVHS-UKILVPOCSA-N 0 3 412.622 3.706 20 30 HHEDHN C=CCOc1ccccc1CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000429491764 976750220 /nfs/dbraw/zinc/75/02/20/976750220.db2.gz MQSQTEUNYFVOLY-WOJBJXKFSA-N 0 3 415.578 3.672 20 30 HHEDHN CC(C)N1CC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429771686 977058565 /nfs/dbraw/zinc/05/85/65/977058565.db2.gz NDFUOSYWKBILNC-CEWLAPEOSA-N 0 3 408.949 3.647 20 30 HHEDHN COc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc(NC(C)=O)c1OC ZINC000430627146 977660121 /nfs/dbraw/zinc/66/01/21/977660121.db2.gz SWGRODRUSQAYOO-ZDUSSCGKSA-N 0 3 401.488 3.906 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432328412 978762842 /nfs/dbraw/zinc/76/28/42/978762842.db2.gz XEUVOYOLVGQUER-HXUWFJFHSA-N 0 3 418.541 3.790 20 30 HHEDHN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000432571976 978894458 /nfs/dbraw/zinc/89/44/58/978894458.db2.gz IMTWHAARJHMYBY-JOCHJYFZSA-N 0 3 404.514 3.620 20 30 HHEDHN C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN[C@H](CCCC#N)c3ccccc3)CC2)C1 ZINC000433016808 979042886 /nfs/dbraw/zinc/04/28/86/979042886.db2.gz UTLXIVKVZYLVCJ-NZQKXSOJSA-N 0 3 424.589 3.508 20 30 HHEDHN COc1cc2c(cc1OC)CN(C(=O)CN[C@@H](CCCC#N)c1ccccc1)CC2 ZINC000433019704 979043836 /nfs/dbraw/zinc/04/38/36/979043836.db2.gz KZKIKTKDHDJNJI-NRFANRHFSA-N 0 3 407.514 3.613 20 30 HHEDHN N#CCCC[C@H](NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000433025512 979046030 /nfs/dbraw/zinc/04/60/30/979046030.db2.gz LJJCHEUBWBQAJO-QHCPKHFHSA-N 0 3 424.589 3.652 20 30 HHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433320321 979234633 /nfs/dbraw/zinc/23/46/33/979234633.db2.gz RTTDDVKYOOHNCO-OXFYSEKESA-N 0 3 406.368 3.756 20 30 HHEDHN CN(Cc1ccco1)Cc1ccccc1CN[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434861498 980454612 /nfs/dbraw/zinc/45/46/12/980454612.db2.gz NQYMSNSIAMDFNU-NRFANRHFSA-N 0 3 420.538 3.740 20 30 HHEDHN N#CCCn1cc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435132556 980663946 /nfs/dbraw/zinc/66/39/46/980663946.db2.gz KEEKCVYRRFZRKM-HXUWFJFHSA-N 0 3 414.513 3.709 20 30 HHEDHN Cc1cc(NC(=O)N(CCC#N)CC2CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435525242 980919861 /nfs/dbraw/zinc/91/98/61/980919861.db2.gz ITSYVRWRFJPVCQ-NRFANRHFSA-N 0 3 406.534 3.796 20 30 HHEDHN N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000436665843 981499829 /nfs/dbraw/zinc/49/98/29/981499829.db2.gz PYRYQQIPMKLHES-UHFFFAOYSA-N 0 3 403.526 3.991 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)N(C)CCOCc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000460159857 981931936 /nfs/dbraw/zinc/93/19/36/981931936.db2.gz JCPPFLXZCPHEMK-DEOSSOPVSA-N 0 3 420.557 3.862 20 30 HHEDHN CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000460211565 981986415 /nfs/dbraw/zinc/98/64/15/981986415.db2.gz NKULBVDTHCYPSH-MOPGFXCFSA-N 0 3 400.530 3.936 20 30 HHEDHN CCOc1cccc([C@@H]2C[C@H]2NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000438345441 982735002 /nfs/dbraw/zinc/73/50/02/982735002.db2.gz HTNSNCXXDYPDMS-XZOQPEGZSA-N 0 3 406.530 3.586 20 30 HHEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000438442082 982795040 /nfs/dbraw/zinc/79/50/40/982795040.db2.gz IKZLVHRNGNBROP-PKOBYXMFSA-N 0 3 413.484 3.760 20 30 HHEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000438445591 982797189 /nfs/dbraw/zinc/79/71/89/982797189.db2.gz QFYBQSOBFAIFMT-IEBWSBKVSA-N 0 3 413.484 3.760 20 30 HHEDHN C=CCOc1ccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)cc1Cl ZINC000461424612 983087563 /nfs/dbraw/zinc/08/75/63/983087563.db2.gz HSDGQSSDHVJCIZ-UHFFFAOYSA-N 0 3 406.935 3.735 20 30 HHEDHN N#CCC[C@@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000438835150 983104521 /nfs/dbraw/zinc/10/45/21/983104521.db2.gz KNGIMTQGJSCPML-XMMPIXPASA-N 0 3 419.573 3.933 20 30 HHEDHN N#CCC[C@@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000438845232 983112207 /nfs/dbraw/zinc/11/22/07/983112207.db2.gz ZKPZGXDUTFKQRW-XMMPIXPASA-N 0 3 419.573 3.539 20 30 HHEDHN CCCc1c(NC(=O)N(CCN(C)C)Cc2ccco2)cnn1-c1cccc(C#N)c1 ZINC000439684807 983500668 /nfs/dbraw/zinc/50/06/68/983500668.db2.gz XEBIVCLRQGPOBQ-UHFFFAOYSA-N 0 3 420.517 3.885 20 30 HHEDHN Clc1ccccc1C#CCN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000441143146 984088939 /nfs/dbraw/zinc/08/89/39/984088939.db2.gz DLBGECOHKNZDAQ-NRFANRHFSA-N 0 3 408.977 3.621 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(CCCc3ccccc3)c2)CC1 ZINC000442274005 984784605 /nfs/dbraw/zinc/78/46/05/984784605.db2.gz MQFNMFUJIWQLAD-UHFFFAOYSA-N 0 3 405.542 3.567 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)[C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000461903486 984921706 /nfs/dbraw/zinc/92/17/06/984921706.db2.gz UOLUPSSCOTZVBN-NRFANRHFSA-N 0 3 404.558 3.689 20 30 HHEDHN COc1ccc(NC(=O)C2(NCc3ccc(C#N)c(OC)c3)CCCC2)cc1OC ZINC000442846479 985244135 /nfs/dbraw/zinc/24/41/35/985244135.db2.gz ZNDIKKFUHGQUTF-UHFFFAOYSA-N 0 3 409.486 3.625 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000462807410 985738756 /nfs/dbraw/zinc/73/87/56/985738756.db2.gz AYKMQOXFIHZJLH-VFNWGFHPSA-N 0 3 406.555 3.803 20 30 HHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000443673943 985881059 /nfs/dbraw/zinc/88/10/59/985881059.db2.gz IQVLZWIYRZZVRM-HZPDHXFCSA-N 0 3 414.468 3.889 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000443843691 986046010 /nfs/dbraw/zinc/04/60/10/986046010.db2.gz OZLOJXLAICDILK-XMSQKQJNSA-N 0 3 409.530 3.696 20 30 HHEDHN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463207050 986179198 /nfs/dbraw/zinc/17/91/98/986179198.db2.gz YPXHPLCBMPCLTA-PWRODBHTSA-N 0 3 422.491 3.579 20 30 HHEDHN COc1ccc(S(=O)(=O)Nc2cccc(CNCc3ccc(C#N)c(C)c3)c2)cc1 ZINC000444000981 986198984 /nfs/dbraw/zinc/19/89/84/986198984.db2.gz AUFJDPHBUBEIHX-UHFFFAOYSA-N 0 3 421.522 3.966 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000463275207 986241858 /nfs/dbraw/zinc/24/18/58/986241858.db2.gz URPXEEWVFSIVIF-AVRDEDQJSA-N 0 3 408.502 3.813 20 30 HHEDHN Cc1cc(Br)cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000463509068 986484920 /nfs/dbraw/zinc/48/49/20/986484920.db2.gz ZEMNWEJDJPCFKV-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN C[C@@H](N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)NC1(C#N)CCC1 ZINC000468952960 986657192 /nfs/dbraw/zinc/65/71/92/986657192.db2.gz KZVMTPDAIBPYKO-HZPDHXFCSA-N 0 3 408.477 3.680 20 30 HHEDHN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000444635369 986822249 /nfs/dbraw/zinc/82/22/49/986822249.db2.gz ASECEQVWTHIYSI-HXUWFJFHSA-N 0 3 424.545 3.849 20 30 HHEDHN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469338116 987044659 /nfs/dbraw/zinc/04/46/59/987044659.db2.gz NAVBPZPJSGIUJX-CVDCTZTESA-N 0 3 417.557 3.987 20 30 HHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000469437415 987123413 /nfs/dbraw/zinc/12/34/13/987123413.db2.gz YCGYCFRIHXSYEZ-BJKOFHAPSA-N 0 3 420.557 3.798 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@H](Oc3ccncc3)C1)CCCCC2 ZINC000469740841 987391384 /nfs/dbraw/zinc/39/13/84/987391384.db2.gz BMLBFBIFNPQLEA-KRWDZBQOSA-N 0 3 410.543 3.766 20 30 HHEDHN CC(C)OC(=O)C[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000464495597 988669046 /nfs/dbraw/zinc/66/90/46/988669046.db2.gz CBXNMBFFIPRVGM-INIZCTEOSA-N 0 3 417.575 3.881 20 30 HHEDHN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CCN(c2ccccn2)CC1 ZINC000464805165 989035042 /nfs/dbraw/zinc/03/50/42/989035042.db2.gz KIMZVNOONJRBKX-UHFFFAOYSA-N 0 3 411.937 3.784 20 30 HHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C)CC12CCCCC2 ZINC000471038007 989112960 /nfs/dbraw/zinc/11/29/60/989112960.db2.gz INTKADCOBULZQN-GOSISDBHSA-N 0 3 400.592 3.827 20 30 HHEDHN CC1CCN([C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000471791080 989977355 /nfs/dbraw/zinc/97/73/55/989977355.db2.gz UXBVSWYSHXPMGM-DNQXCXABSA-N 0 3 400.526 3.830 20 30 HHEDHN CC(C)(CNC(=O)Nc1ncccc1OCCCC#N)N1CCc2ccccc2C1 ZINC000466598333 991914049 /nfs/dbraw/zinc/91/40/49/991914049.db2.gz DIDJUSFQNIOOGQ-UHFFFAOYSA-N 0 3 407.518 3.723 20 30 HHEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000466939507 992250456 /nfs/dbraw/zinc/25/04/56/992250456.db2.gz RVQHYYJPJPTAAJ-SBUREZEXSA-N 0 3 406.505 3.892 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000467046128 992355231 /nfs/dbraw/zinc/35/52/31/992355231.db2.gz MVWUXWCOEMZBKZ-RXVVDRJESA-N 0 3 407.514 3.505 20 30 HHEDHN CN(CCCSCC#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467274175 992595686 /nfs/dbraw/zinc/59/56/86/992595686.db2.gz FIYULFQWNFNJHU-UHFFFAOYSA-N 0 3 401.370 3.677 20 30 HHEDHN C[C@@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CN1Cc1ccccc1 ZINC000467486172 992774407 /nfs/dbraw/zinc/77/44/07/992774407.db2.gz NMQDUGYIGNFULR-PBHICJAKSA-N 0 3 400.429 3.944 20 30 HHEDHN Cc1nc(SCC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000467755814 993001176 /nfs/dbraw/zinc/00/11/76/993001176.db2.gz SRCLSCFNAGFJKN-YWZLYKJASA-N 0 3 408.571 3.750 20 30 HHEDHN CCOc1cccc2[nH]cc(CC(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c21 ZINC000467836110 993067606 /nfs/dbraw/zinc/06/76/06/993067606.db2.gz FRUJRXHEAXPZRI-UHFFFAOYSA-N 0 3 404.514 3.571 20 30 HHEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000481266610 994085022 /nfs/dbraw/zinc/08/50/22/994085022.db2.gz CXVCXVCPCPAZDO-FGZHOGPDSA-N 0 3 422.598 3.978 20 30 HHEDHN CN1CCN(CCC(C)(C)NC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000473513691 994366461 /nfs/dbraw/zinc/36/64/61/994366461.db2.gz OMQPXBGIVCAKKI-UHFFFAOYSA-N 0 3 404.558 3.624 20 30 HHEDHN CN1CCN(CCC(C)(C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000473668062 994556464 /nfs/dbraw/zinc/55/64/64/994556464.db2.gz RKJLTJWFBQASNR-UHFFFAOYSA-N 0 3 421.545 3.888 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(Br)cc1 ZINC000482074808 995010261 /nfs/dbraw/zinc/01/02/61/995010261.db2.gz XSAGQQCWJQVPCU-UHFFFAOYSA-N 0 3 414.347 3.844 20 30 HHEDHN Cc1nn(-c2ccc(Br)cc2)cc1CNCCOc1ccc(C#N)cc1 ZINC000482561239 995567940 /nfs/dbraw/zinc/56/79/40/995567940.db2.gz KDQLHEJFAXBNAQ-UHFFFAOYSA-N 0 3 411.303 3.984 20 30 HHEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000474792241 995712805 /nfs/dbraw/zinc/71/28/05/995712805.db2.gz VBDCEBBUOXOQQQ-IBGZPJMESA-N 0 3 422.598 3.606 20 30 HHEDHN C=C(C)[C@@H](NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000483315045 996093801 /nfs/dbraw/zinc/09/38/01/996093801.db2.gz NAXBLZMQTVCCDK-GGAORHGYSA-N 0 3 415.484 3.518 20 30 HHEDHN COCCC1(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCCCC1 ZINC000483679067 996324353 /nfs/dbraw/zinc/32/43/53/996324353.db2.gz HFPUWWFKTCKBCJ-UHFFFAOYSA-N 0 3 400.567 3.618 20 30 HHEDHN CO[C@H]1CCCC[C@H]1NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000483736271 996357575 /nfs/dbraw/zinc/35/75/75/996357575.db2.gz XYLZOOCTECPZCZ-IRLDBZIGSA-N 0 3 406.530 3.713 20 30 HHEDHN C[C@H]1C[C@H](N(C)S(=O)(=O)CC2(C#N)CCCCC2)CCN1Cc1ccccc1 ZINC000475789876 996372811 /nfs/dbraw/zinc/37/28/11/996372811.db2.gz KRPDMARZZSHXTB-PZJWPPBQSA-N 0 3 403.592 3.775 20 30 HHEDHN N#CC1(CS(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCCCC1 ZINC000475810852 996385910 /nfs/dbraw/zinc/38/59/10/996385910.db2.gz WXMCZYZQWHKGQC-SEJPIABJSA-N 0 3 401.576 3.575 20 30 HHEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000485324443 997737194 /nfs/dbraw/zinc/73/71/94/997737194.db2.gz WQQAZOUCUZGSBS-OPAMFIHVSA-N 0 3 417.513 3.688 20 30 HHEDHN COCCN1CCC[C@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000477138254 997795077 /nfs/dbraw/zinc/79/50/77/997795077.db2.gz WMJDOVIFEHVBOQ-QFIPXVFZSA-N 0 3 422.529 3.564 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OC)cc2OC2CCCC2)CC1 ZINC000477949983 998676889 /nfs/dbraw/zinc/67/68/89/998676889.db2.gz GOYPJWHQEZLKJM-UHFFFAOYSA-N 0 3 401.551 3.856 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(-n2ccnc2)cc1 ZINC000478534599 999014230 /nfs/dbraw/zinc/01/42/30/999014230.db2.gz KWMZYONLTBHSGP-UHFFFAOYSA-N 0 3 408.575 3.971 20 30 HHEDHN COCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CCC[C@@H]1C ZINC000487991880 999339826 /nfs/dbraw/zinc/33/98/26/999339826.db2.gz UFDJJQRZGMPJQR-HRAATJIYSA-N 0 3 412.534 3.693 20 30 HHEDHN Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000488479821 999501830 /nfs/dbraw/zinc/50/18/30/999501830.db2.gz BUFGXGYFCWCTAK-HRAATJIYSA-N 0 3 424.932 3.628 20 30 HHEDHN CCN(CC)C(=O)c1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000479949859 999659982 /nfs/dbraw/zinc/65/99/82/999659982.db2.gz OVIZGYFGXWSXCI-UHFFFAOYSA-N 0 3 401.514 3.731 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000489026141 999675953 /nfs/dbraw/zinc/67/59/53/999675953.db2.gz OUMWBFSVVNPFNM-UHFFFAOYSA-N 0 3 406.530 3.731 20 30 HHEDHN N#Cc1c(C#N)c2c(nc1NC[C@]1(O)CCN(Cc3ccccc3)C1)CCCCCC2 ZINC000480022841 999690332 /nfs/dbraw/zinc/69/03/32/999690332.db2.gz VWFQTPVXRTWXAK-RUZDIDTESA-N 0 3 415.541 3.533 20 30 HHEDHN C=CCn1c(SC[C@H](O)CN2CCc3ccccc3C2)nnc1-c1cccs1 ZINC000480398124 999789413 /nfs/dbraw/zinc/78/94/13/999789413.db2.gz YTJCSDAHMBKPRI-GOSISDBHSA-N 0 3 412.584 3.704 20 30 HHEDHN C=CCn1c(SC[C@H](O)CN2CCc3ccccc3C2)nnc1-c1ccccc1C ZINC000480416822 999793565 /nfs/dbraw/zinc/79/35/65/999793565.db2.gz MYNAEWJPQLMXGY-OAQYLSRUSA-N 0 3 420.582 3.951 20 30 HHEDHN Cc1csc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1Br ZINC000489891444 999856639 /nfs/dbraw/zinc/85/66/39/999856639.db2.gz VMQOTPJZTJWIBF-UHFFFAOYSA-N 0 3 406.349 3.895 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000490346250 999941875 /nfs/dbraw/zinc/94/18/75/999941875.db2.gz OCPXWSZHQOFROM-KRWDZBQOSA-N 0 3 402.608 3.951 20 30 HHEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[C@@H]2C1 ZINC000490396539 999950802 /nfs/dbraw/zinc/95/08/02/999950802.db2.gz DLOJWGQRNRHEBJ-NFBKMPQASA-N 0 3 404.514 3.890 20 30 HHEDHN Cc1cc(N2CCN(C)CC2)ccc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490583365 999980121 /nfs/dbraw/zinc/98/01/21/999980121.db2.gz BSPOTRUZGPFMTC-UHFFFAOYSA-N 0 3 400.530 3.631 20 30 HHEDHN C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000504455849 1000216195 /nfs/dbraw/zinc/21/61/95/1000216195.db2.gz NXPBMGFSFHBNDH-UHFFFAOYSA-N 0 3 420.557 3.833 20 30 HHEDHN Cc1ccc(-c2cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)[nH]n2)c(C)c1 ZINC000495063085 1000809606 /nfs/dbraw/zinc/80/96/06/1000809606.db2.gz WHTSRPAEGNULAN-UHFFFAOYSA-N 0 3 401.514 3.769 20 30 HHEDHN C=C(C)CN(CC)Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000505891796 1001084324 /nfs/dbraw/zinc/08/43/24/1001084324.db2.gz POSWCLYCIGECPQ-UHFFFAOYSA-N 0 3 413.356 3.713 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccccc1C(=O)OC ZINC000505945207 1001118689 /nfs/dbraw/zinc/11/86/89/1001118689.db2.gz YWFLBHPANIIYGT-UHFFFAOYSA-N 0 3 400.548 3.571 20 30 HHEDHN COCCc1nnc(-c2cccc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)c2)o1 ZINC000496057662 1001118674 /nfs/dbraw/zinc/11/86/74/1001118674.db2.gz ZRLYMLDRIYQNPS-OAHLLOKOSA-N 0 3 416.359 3.829 20 30 HHEDHN CC(C)c1ccc(OCCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000506099130 1001219599 /nfs/dbraw/zinc/21/95/99/1001219599.db2.gz ZRUXXNVEOYVVEO-UHFFFAOYSA-N 0 3 408.546 3.834 20 30 HHEDHN CCCN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccc(Cl)cc1 ZINC000506227145 1001291639 /nfs/dbraw/zinc/29/16/39/1001291639.db2.gz NWMJKEAIPISXEB-FQEVSTJZSA-N 0 3 412.921 3.658 20 30 HHEDHN COC(=O)c1ccc(Cl)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000506937455 1001603987 /nfs/dbraw/zinc/60/39/87/1001603987.db2.gz ROFMFVNACRGFQA-UHFFFAOYSA-N 0 3 414.893 3.594 20 30 HHEDHN C=CCN1CCC(NC(=O)c2ccc(Br)cc2Br)CC1 ZINC000507280669 1001965114 /nfs/dbraw/zinc/96/51/14/1001965114.db2.gz FPCCBNCDPGHXBT-UHFFFAOYSA-N 0 3 402.130 3.592 20 30 HHEDHN CCCN1CCN(c2ccc(NC(=O)c3cccc(CC#N)c3)c(OCC)c2)CC1 ZINC000507611918 1002217869 /nfs/dbraw/zinc/21/78/69/1002217869.db2.gz VHHGQOITUYOUFB-UHFFFAOYSA-N 0 3 406.530 3.936 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1-c1ccc(F)cc1F ZINC000507715916 1002306010 /nfs/dbraw/zinc/30/60/10/1002306010.db2.gz UVKPWHYHCUAGGQ-UHFFFAOYSA-N 0 3 423.467 3.535 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000507847872 1002386719 /nfs/dbraw/zinc/38/67/19/1002386719.db2.gz KSNSGNBOFUDWME-NRFANRHFSA-N 0 3 422.525 3.578 20 30 HHEDHN N#Cc1ccc2ncc(CNCc3ccccc3-c3ccc(Cn4cncn4)cc3)n2c1 ZINC000507849881 1002388258 /nfs/dbraw/zinc/38/82/58/1002388258.db2.gz FICZGISXIDYPGM-UHFFFAOYSA-N 0 3 419.492 3.803 20 30 HHEDHN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000499048053 1002428812 /nfs/dbraw/zinc/42/88/12/1002428812.db2.gz LSAXGQVMWDPFGF-GOSISDBHSA-N 0 3 418.545 3.786 20 30 HHEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1Br ZINC000499054089 1002436828 /nfs/dbraw/zinc/43/68/28/1002436828.db2.gz PWUACHFWDPCYBN-UHFFFAOYSA-N 0 3 416.319 3.533 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1c(Cl)cccc1Cl ZINC000499059815 1002442693 /nfs/dbraw/zinc/44/26/93/1002442693.db2.gz ROFYKALDZHZTHY-UHFFFAOYSA-N 0 3 406.313 3.834 20 30 HHEDHN C=CCn1c(Cc2cccc3ccccc32)nnc1N1CCN(C2CCOCC2)CC1 ZINC000508507679 1002989331 /nfs/dbraw/zinc/98/93/31/1002989331.db2.gz UOFCZQFFDXFNDD-UHFFFAOYSA-N 0 3 417.557 3.509 20 30 HHEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000508715954 1003155618 /nfs/dbraw/zinc/15/56/18/1003155618.db2.gz QDVBGRZQNWTGMT-QFIPXVFZSA-N 0 3 403.530 3.791 20 30 HHEDHN C=CCn1c(-c2cccc3ccccc32)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000508865697 1003284738 /nfs/dbraw/zinc/28/47/38/1003284738.db2.gz WJTKEEVTVPKRNU-UHFFFAOYSA-N 0 3 417.557 3.833 20 30 HHEDHN C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC000508893228 1003322913 /nfs/dbraw/zinc/32/29/13/1003322913.db2.gz FRXDMVKCCZXWFA-GOSISDBHSA-N 0 3 408.550 3.550 20 30 HHEDHN C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C2CCCC2)CC1 ZINC000508895280 1003325280 /nfs/dbraw/zinc/32/52/80/1003325280.db2.gz OCOPSGXXTKCNDS-UHFFFAOYSA-N 0 3 404.518 3.851 20 30 HHEDHN C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508896867 1003327528 /nfs/dbraw/zinc/32/75/28/1003327528.db2.gz VAMZOAKYTJXIQP-RTBURBONSA-N 0 3 413.566 3.748 20 30 HHEDHN C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508901518 1003336303 /nfs/dbraw/zinc/33/63/03/1003336303.db2.gz UUXVSPBSUOQVPS-SBUREZEXSA-N 0 3 424.520 3.942 20 30 HHEDHN C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000508917689 1003356518 /nfs/dbraw/zinc/35/65/18/1003356518.db2.gz KIIJZUZFKWTEFC-QFIPXVFZSA-N 0 3 409.578 3.555 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1cccc(Cl)c1 ZINC000508930994 1003378114 /nfs/dbraw/zinc/37/81/14/1003378114.db2.gz AWJIQLUNXDYUFU-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN C=CCn1c(CC(C)(C)C)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508994777 1003466554 /nfs/dbraw/zinc/46/65/54/1003466554.db2.gz JGESOVNHKFXIRK-RTBURBONSA-N 0 3 403.615 3.768 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1c(F)cccc1N1CCCC1 ZINC000509021804 1003493720 /nfs/dbraw/zinc/49/37/20/1003493720.db2.gz JIZCPGZOHYWQDK-UHFFFAOYSA-N 0 3 423.536 3.571 20 30 HHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000500588598 1003802463 /nfs/dbraw/zinc/80/24/63/1003802463.db2.gz YGHCLKTZIAEXRB-SFHVURJKSA-N 0 3 404.436 3.858 20 30 HHEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCc2ccccc2C1 ZINC000512318825 1004214346 /nfs/dbraw/zinc/21/43/46/1004214346.db2.gz SJAPXNTZYUEZGO-NRFANRHFSA-N 0 3 400.444 3.662 20 30 HHEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000512950556 1004721072 /nfs/dbraw/zinc/72/10/72/1004721072.db2.gz CLJGRDBCQPORDN-INIZCTEOSA-N 0 3 402.435 3.714 20 30 HHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-n3ccnc3SC)cc2)n1 ZINC000512958951 1004728728 /nfs/dbraw/zinc/72/87/28/1004728728.db2.gz QVMYFOMEDWEGSG-CQSZACIVSA-N 0 3 412.496 3.717 20 30 HHEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC(C)(C)CCC#N ZINC000513113184 1004813546 /nfs/dbraw/zinc/81/35/46/1004813546.db2.gz KOTKIFXEGBRBFT-UHFFFAOYSA-N 0 3 409.372 3.852 20 30 HHEDHN C[C@@H]1C[C@H](c2ccccc2)N(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000513241053 1004876400 /nfs/dbraw/zinc/87/64/00/1004876400.db2.gz GLGVQNSIJBEWKD-HMXCVIKNSA-N 0 3 408.571 3.540 20 30 HHEDHN COc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)c1OC ZINC000513422414 1004958837 /nfs/dbraw/zinc/95/88/37/1004958837.db2.gz UURVTYBZWYABSJ-SFHVURJKSA-N 0 3 424.545 3.718 20 30 HHEDHN COc1cc(C)c([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000502282241 1004991944 /nfs/dbraw/zinc/99/19/44/1004991944.db2.gz MQVGQKGLMHHEKB-GOSISDBHSA-N 0 3 424.545 3.718 20 30 HHEDHN N#Cc1cccc(OCCN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000502337318 1005019806 /nfs/dbraw/zinc/01/98/06/1005019806.db2.gz AKYZWQKTKCGYMH-IBGZPJMESA-N 0 3 407.518 3.668 20 30 HHEDHN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000513696199 1005085793 /nfs/dbraw/zinc/08/57/93/1005085793.db2.gz ULFYPTQTZJBLGS-QAPCUYQASA-N 0 3 422.510 3.616 20 30 HHEDHN C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1=CCN(C)CC1 ZINC000511249552 1005090630 /nfs/dbraw/zinc/09/06/30/1005090630.db2.gz LNYGYLZJOZCAFG-INIZCTEOSA-N 0 3 403.486 3.582 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000511338601 1005129964 /nfs/dbraw/zinc/12/99/64/1005129964.db2.gz SDVIQEWOTJIQOB-JOCHJYFZSA-N 0 3 422.529 3.570 20 30 HHEDHN CC(C)(C)CNC(=O)C(C)(C)NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000502732977 1005194817 /nfs/dbraw/zinc/19/48/17/1005194817.db2.gz PVNFOMCCIFUTAR-UHFFFAOYSA-N 0 3 418.607 3.748 20 30 HHEDHN C[C@@H]1CCC[C@H](N(CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000513959646 1005203025 /nfs/dbraw/zinc/20/30/25/1005203025.db2.gz QUPXAWFSTHKLNF-GGDAVEFXSA-N 0 3 411.546 3.850 20 30 HHEDHN N#Cc1cccc(CNC(=O)CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 ZINC000511542373 1005217041 /nfs/dbraw/zinc/21/70/41/1005217041.db2.gz OJDOMCZIMIPDRL-FQEVSTJZSA-N 0 3 403.404 3.814 20 30 HHEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000511670596 1005270052 /nfs/dbraw/zinc/27/00/52/1005270052.db2.gz HUEQVJLHKCAIDR-GOSISDBHSA-N 0 3 404.436 3.703 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503766126 1005490922 /nfs/dbraw/zinc/49/09/22/1005490922.db2.gz QXAFJZWSUSIEJN-JIPZTSHUSA-N 0 3 417.962 3.647 20 30 HHEDHN CC(C)N1CCN(c2cccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)CC1 ZINC000503766945 1005491181 /nfs/dbraw/zinc/49/11/81/1005491181.db2.gz YPOGLOJASNVJTQ-UHFFFAOYSA-N 0 3 406.530 3.885 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000532336192 1006799161 /nfs/dbraw/zinc/79/91/61/1006799161.db2.gz LGITVWYIJKWWCM-UHFFFAOYSA-N 0 3 410.493 3.528 20 30 HHEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000516277065 1006991226 /nfs/dbraw/zinc/99/12/26/1006991226.db2.gz BZQKKKYWOLLDPX-ROUUACIJSA-N 0 3 420.513 3.526 20 30 HHEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@](C)(C#N)CCc3ccccc3)cc2)CC1 ZINC000532688868 1007102105 /nfs/dbraw/zinc/10/21/05/1007102105.db2.gz CALWOIFLUJLKHD-VWLOTQADSA-N 0 3 404.558 3.862 20 30 HHEDHN CC[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)Cc1ccccc1 ZINC000516552349 1007151105 /nfs/dbraw/zinc/15/11/05/1007151105.db2.gz FEFWRPTXLSPYTQ-XMMPIXPASA-N 0 3 404.558 3.503 20 30 HHEDHN COc1ccc(C[C@@H](NCC(=O)NC2(C#N)CCCCC2)c2ccccc2)cc1OC ZINC000539254780 1007548532 /nfs/dbraw/zinc/54/85/32/1007548532.db2.gz SGYWIUYFDGOPME-OAQYLSRUSA-N 0 3 421.541 3.920 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000517335762 1007576312 /nfs/dbraw/zinc/57/63/12/1007576312.db2.gz XLQSRENABPBUSA-UHFFFAOYSA-N 0 3 410.493 3.528 20 30 HHEDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000533397503 1007709783 /nfs/dbraw/zinc/70/97/83/1007709783.db2.gz WGMHJFKVIAOCKM-QFIPXVFZSA-N 0 3 421.541 3.884 20 30 HHEDHN COc1ccnc2c(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cccc12 ZINC000535769932 1007782088 /nfs/dbraw/zinc/78/20/88/1007782088.db2.gz VDUWKJPEPQEZOA-UHFFFAOYSA-N 0 3 403.486 3.711 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)N(C)C)cc1 ZINC000517599578 1007801364 /nfs/dbraw/zinc/80/13/64/1007801364.db2.gz IANOHRVWLSCVBU-OFNKIYASSA-N 0 3 423.536 3.577 20 30 HHEDHN COC(=O)CC1(NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCCCC1 ZINC000533527033 1007846640 /nfs/dbraw/zinc/84/66/40/1007846640.db2.gz LMZWJYKDBGLZAX-UHFFFAOYSA-N 0 3 405.926 3.751 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N1CCCC[C@@H]1C ZINC000517853110 1008014501 /nfs/dbraw/zinc/01/45/01/1008014501.db2.gz LUKBZKNRLSVHFP-ROUUACIJSA-N 0 3 420.513 3.668 20 30 HHEDHN CN(C)[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)Cc1ccccc1 ZINC000533809628 1008127795 /nfs/dbraw/zinc/12/77/95/1008127795.db2.gz ZJPSJKAITVZVSA-HXUWFJFHSA-N 0 3 419.554 3.900 20 30 HHEDHN N#Cc1cc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(N)c1[N+](=O)[O-] ZINC000518349938 1008271808 /nfs/dbraw/zinc/27/18/08/1008271808.db2.gz DZRIERUUALEZOB-UHFFFAOYSA-N 0 3 411.465 3.941 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000518593675 1008359141 /nfs/dbraw/zinc/35/91/41/1008359141.db2.gz ZQOGWTDMEQWYLE-GOSISDBHSA-N 0 3 420.513 3.588 20 30 HHEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1-n1cccn1 ZINC000540359575 1008398784 /nfs/dbraw/zinc/39/87/84/1008398784.db2.gz CULWIMAICUZLRT-MSOLQXFVSA-N 0 3 405.477 3.997 20 30 HHEDHN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000540458311 1008440056 /nfs/dbraw/zinc/44/00/56/1008440056.db2.gz NVKXGPDCFVNNTJ-ILBGXUMGSA-N 0 3 405.542 3.994 20 30 HHEDHN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000540458313 1008440141 /nfs/dbraw/zinc/44/01/41/1008440141.db2.gz NVKXGPDCFVNNTJ-UKILVPOCSA-N 0 3 405.542 3.994 20 30 HHEDHN COC(=O)[C@@H](C)Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000545432006 1008543662 /nfs/dbraw/zinc/54/36/62/1008543662.db2.gz SDVQWZRJSNHQNO-SFHVURJKSA-N 0 3 422.529 3.506 20 30 HHEDHN Cc1nc(-c2ccc(CCNCCS(=O)(=O)c3cccc(C#N)c3)s2)cs1 ZINC000549111095 1008675413 /nfs/dbraw/zinc/67/54/13/1008675413.db2.gz NBBNVLFBFSJXOT-UHFFFAOYSA-N 0 3 417.581 3.658 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000519282867 1008694575 /nfs/dbraw/zinc/69/45/75/1008694575.db2.gz WMDFOFXRVMUWFK-IBGZPJMESA-N 0 3 422.367 3.573 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)CC1 ZINC000519287445 1008699065 /nfs/dbraw/zinc/69/90/65/1008699065.db2.gz FBYSMZQGLWPCKA-UHFFFAOYSA-N 0 3 406.958 3.982 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC000519289038 1008700183 /nfs/dbraw/zinc/70/01/83/1008700183.db2.gz PFNVSRBYJZEPEY-UHFFFAOYSA-N 0 3 409.412 3.917 20 30 HHEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc(CC#N)c1 ZINC000519418668 1008799265 /nfs/dbraw/zinc/79/92/65/1008799265.db2.gz GTLRKDPOKIIIQV-UHFFFAOYSA-N 0 3 400.320 3.719 20 30 HHEDHN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000549292437 1008864974 /nfs/dbraw/zinc/86/49/74/1008864974.db2.gz RPMBOIZXYXSTFS-FCHUYYIVSA-N 0 3 409.578 3.849 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000543349054 1008935440 /nfs/dbraw/zinc/93/54/40/1008935440.db2.gz IJKLASCIULKUSA-LJQANCHMSA-N 0 3 422.529 3.712 20 30 HHEDHN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC000549655560 1009283924 /nfs/dbraw/zinc/28/39/24/1009283924.db2.gz XCGIOUSATFVUNP-LJQANCHMSA-N 0 3 401.555 3.668 20 30 HHEDHN COCCN1CCC(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000543903403 1009487669 /nfs/dbraw/zinc/48/76/69/1009487669.db2.gz VXJYSGWSAHGEMG-GOSISDBHSA-N 0 3 406.530 3.696 20 30 HHEDHN COc1cc(CNCCCC#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000544180828 1009784854 /nfs/dbraw/zinc/78/48/54/1009784854.db2.gz CNWAQKFZJRTNFR-UHFFFAOYSA-N 0 3 405.857 3.899 20 30 HHEDHN CS[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H]1N(C)C ZINC000546851802 1009812807 /nfs/dbraw/zinc/81/28/07/1009812807.db2.gz RSWMXLJUOTYVNU-FXAWDEMLSA-N 0 3 414.506 3.999 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000520978120 1010019449 /nfs/dbraw/zinc/01/94/49/1010019449.db2.gz LEYHXEROKTZAHO-UHFFFAOYSA-N 0 3 422.529 3.949 20 30 HHEDHN CC[C@H](NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@@H]1CCCO1 ZINC000544460544 1010083872 /nfs/dbraw/zinc/08/38/72/1010083872.db2.gz OMSWBZNHQKVLAC-UNMCSNQZSA-N 0 3 406.530 3.713 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)cc1 ZINC000544514250 1010138994 /nfs/dbraw/zinc/13/89/94/1010138994.db2.gz ITLVBNGJYKXOJP-QZTZHPFYSA-N 0 3 407.514 3.875 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)CC1 ZINC000521240491 1010246576 /nfs/dbraw/zinc/24/65/76/1010246576.db2.gz VQCUAVDRABEMTR-GOSISDBHSA-N 0 3 422.367 3.955 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N1CCCC[C@@H]1C ZINC000521332027 1010311222 /nfs/dbraw/zinc/31/12/22/1010311222.db2.gz WUVRJTPTYGNWGA-ROUUACIJSA-N 0 3 420.513 3.668 20 30 HHEDHN N#CC(C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccncn1 ZINC000544817440 1010410634 /nfs/dbraw/zinc/41/06/34/1010410634.db2.gz RGPSLSPHJDVJRP-QGZVFWFLSA-N 0 3 421.254 3.981 20 30 HHEDHN N#CC(C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccncn1 ZINC000544817439 1010410651 /nfs/dbraw/zinc/41/06/51/1010410651.db2.gz RGPSLSPHJDVJRP-KRWDZBQOSA-N 0 3 421.254 3.981 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3cccc(Br)c3)c2C)CC1 ZINC000521573622 1010473021 /nfs/dbraw/zinc/47/30/21/1010473021.db2.gz KGMNAGVYAFAPRG-UHFFFAOYSA-N 0 3 417.351 3.714 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000521585963 1010483666 /nfs/dbraw/zinc/48/36/66/1010483666.db2.gz IEPIOYIJQCJFOI-UHFFFAOYSA-N 0 3 424.520 3.918 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000548171040 1010551322 /nfs/dbraw/zinc/55/13/22/1010551322.db2.gz LVHHAIKZGQHAPR-IBGZPJMESA-N 0 3 404.436 3.935 20 30 HHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000551420130 1010575362 /nfs/dbraw/zinc/57/53/62/1010575362.db2.gz VIYVZEXAJSQHAA-PMACEKPBSA-N 0 3 411.468 3.817 20 30 HHEDHN Cc1n[nH]cc1C1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000551424552 1010579242 /nfs/dbraw/zinc/57/92/42/1010579242.db2.gz KGVWUDZEXUOROU-AWEZNQCLSA-N 0 3 411.575 3.984 20 30 HHEDHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000521813050 1010636588 /nfs/dbraw/zinc/63/65/88/1010636588.db2.gz SPWPIPHSCJIWLW-UHFFFAOYSA-N 0 3 420.513 3.622 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)N(C)C)cc1 ZINC000548822815 1010738245 /nfs/dbraw/zinc/73/82/45/1010738245.db2.gz TVDWDKUUHGSIRD-OAQYLSRUSA-N 0 3 405.546 3.514 20 30 HHEDHN N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522031808 1010765707 /nfs/dbraw/zinc/76/57/07/1010765707.db2.gz LXUPRLPEOCRWNA-UVKLAMSESA-N 0 3 418.541 3.672 20 30 HHEDHN N#Cc1ccc(CNCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000522212415 1010868338 /nfs/dbraw/zinc/86/83/38/1010868338.db2.gz ZXFFKAIVHSOTHX-UHFFFAOYSA-N 0 3 402.498 3.603 20 30 HHEDHN Cc1ccc([C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)N2CCCC2)cc1 ZINC000522470126 1011032231 /nfs/dbraw/zinc/03/22/31/1011032231.db2.gz GDYBLKDPPJDAKH-XMMPIXPASA-N 0 3 417.557 3.535 20 30 HHEDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000522846212 1011286280 /nfs/dbraw/zinc/28/62/80/1011286280.db2.gz QYAGQTNATRWBMJ-IBGZPJMESA-N 0 3 421.545 3.746 20 30 HHEDHN N#CCCn1cc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(-c2ccccc2)n1 ZINC000540697932 1011350668 /nfs/dbraw/zinc/35/06/68/1011350668.db2.gz KMNBILGZAYEYSD-GOSISDBHSA-N 0 3 421.451 3.637 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719233 1011371016 /nfs/dbraw/zinc/37/10/16/1011371016.db2.gz PMUQXDIJCJHLAG-SFTDATJTSA-N 0 3 422.976 3.953 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000536769564 1011973461 /nfs/dbraw/zinc/97/34/61/1011973461.db2.gz WVEAHAKAHNMTBP-UHFFFAOYSA-N 0 3 412.444 3.968 20 30 HHEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000541924564 1012784939 /nfs/dbraw/zinc/78/49/39/1012784939.db2.gz BKJJKSIWQHDBEF-UHFFFAOYSA-N 0 3 424.455 3.618 20 30 HHEDHN COc1ccc(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1-n1cnnn1 ZINC000541950053 1012812252 /nfs/dbraw/zinc/81/22/52/1012812252.db2.gz KXLRSSWKMZCWNE-INIZCTEOSA-N 0 3 416.466 3.593 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553032852 1013010002 /nfs/dbraw/zinc/01/00/02/1013010002.db2.gz BGXKIEFQMQXNMC-DENIHFKCSA-N 0 3 420.532 3.647 20 30 HHEDHN C[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000729686086 1071823169 /nfs/dbraw/zinc/82/31/69/1071823169.db2.gz XIPLZYOWVDNQAK-ZDUSSCGKSA-N 0 3 403.276 3.973 20 30 HHEDHN COC1CCN(CCNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000611855927 1072156653 /nfs/dbraw/zinc/15/66/53/1072156653.db2.gz GVMJTHVPERVPAA-GOSISDBHSA-N 0 3 406.530 3.696 20 30 HHEDHN CN(CCC#N)C(=O)CCN1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000536741249 1072192099 /nfs/dbraw/zinc/19/20/99/1072192099.db2.gz SLYBFEWYRFPEMN-UHFFFAOYSA-N 0 3 423.492 3.590 20 30 HHEDHN N#Cc1csc(CNC2(Cc3ccc(F)cc3Br)CCOCC2)n1 ZINC000555595938 1073661047 /nfs/dbraw/zinc/66/10/47/1073661047.db2.gz FEFMQJQEJCMGMF-UHFFFAOYSA-N 0 3 410.312 3.798 20 30 HHEDHN CSc1ccc([C@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)N(C)C)cc1 ZINC000590532192 1073909586 /nfs/dbraw/zinc/90/95/86/1073909586.db2.gz PVCAYBPPDCHHQJ-VXKWHMMOSA-N 0 3 408.571 3.668 20 30 HHEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1-c1cccc(Br)c1 ZINC000592360866 1074722382 /nfs/dbraw/zinc/72/23/82/1074722382.db2.gz SBKNTZWKQPTCLY-MRXNPFEDSA-N 0 3 410.275 3.840 20 30 HHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cccc(OCC(F)F)n1 ZINC000760965639 1074737380 /nfs/dbraw/zinc/73/73/80/1074737380.db2.gz MFUGFKYHKLKODL-OAHLLOKOSA-N 0 3 401.413 3.811 20 30 HHEDHN C=CCN1CCC(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000592495427 1074771666 /nfs/dbraw/zinc/77/16/66/1074771666.db2.gz VEROUSMANZNRSN-VXGBXAGGSA-N 0 3 401.395 3.846 20 30 HHEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)OC2CCCCCC2)cc1 ZINC000761036055 1075224342 /nfs/dbraw/zinc/22/43/42/1075224342.db2.gz IMRUCGKRZPLODG-DNVCBOLYSA-N 0 3 400.475 3.639 20 30 HHEDHN CC(C)[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000574873865 1075399168 /nfs/dbraw/zinc/39/91/68/1075399168.db2.gz JRBNAKWOYKEPFS-NZQKXSOJSA-N 0 3 405.498 3.812 20 30 HHEDHN N#Cc1ccc(-c2cccs2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879429 721150216 /nfs/dbraw/zinc/15/02/16/721150216.db2.gz SDQZIVFZKZILOX-UXHICEINSA-N 0 3 417.538 3.556 20 30 HHEDHN N#Cc1cc2nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)ccc2[nH]1 ZINC001164906980 721722159 /nfs/dbraw/zinc/72/21/59/721722159.db2.gz PDMKEXOSIQRKJU-OAQYLSRUSA-N 0 3 408.456 3.567 20 30 HHEDHN CC1CCN(C(=O)c2ccc(N3CCCN(Cc4ccc(C#N)cc4)CC3)nc2)CC1 ZINC000301223613 970817606 /nfs/dbraw/zinc/81/76/06/970817606.db2.gz DUUZMDLLFJMEQH-UHFFFAOYSA-N 0 3 417.557 3.538 20 30 HHEDHN CCN1CCN(Cc2ccc(CNc3nc(C(F)(F)F)ccc3C#N)cc2)CC1 ZINC000301255188 970836197 /nfs/dbraw/zinc/83/61/97/970836197.db2.gz DGZAUVQTDNVZPK-UHFFFAOYSA-N 0 3 403.452 3.722 20 30 HHEDHN C=CCN1CCC(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000303324694 971631642 /nfs/dbraw/zinc/63/16/42/971631642.db2.gz VPUHDAIUHJOEOR-UHFFFAOYSA-N 0 3 420.376 3.882 20 30 HHEDHN CN(C)C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553219469 1013186129 /nfs/dbraw/zinc/18/61/29/1013186129.db2.gz YZVNPOPLPYAHNY-YLJYHZDGSA-N 0 3 414.912 3.596 20 30 HHEDHN Cc1cc(Cl)c2ncc(C#N)c(NC3C[C@H]4CC[C@@H](C3)N4CC(=O)N(C)C)c2c1 ZINC000553309391 1013263951 /nfs/dbraw/zinc/26/39/51/1013263951.db2.gz HNQWQRBQKJCFRK-ALOPSCKCSA-N 0 3 411.937 3.564 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)N(CCCCC)Cc2ccc(Cl)cc2)CC1 ZINC000553326682 1013277114 /nfs/dbraw/zinc/27/71/14/1013277114.db2.gz BVWFUYQIPVQMLG-UHFFFAOYSA-N 0 3 405.970 3.625 20 30 HHEDHN COC(=O)C[C@@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000542532477 1013476084 /nfs/dbraw/zinc/47/60/84/1013476084.db2.gz QXCKEBNIYYYSPA-CXAGYDPISA-N 0 3 403.548 3.537 20 30 HHEDHN C=CCOc1ccccc1C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000026962290 964734757 /nfs/dbraw/zinc/73/47/57/964734757.db2.gz XMTAZSOBAUPQJL-UHFFFAOYSA-N 0 3 407.558 3.892 20 30 HHEDHN CC(C)(C)CCN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000055936244 966146770 /nfs/dbraw/zinc/14/67/70/966146770.db2.gz WYURFQBRYSVKFP-UHFFFAOYSA-N 0 3 402.608 3.881 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000044566469 967241101 /nfs/dbraw/zinc/24/11/01/967241101.db2.gz SAYVHTUUSCOLJW-UHFFFAOYSA-N 0 3 418.566 3.738 20 30 HHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H](CO)C2CCCCC2)c1C#N ZINC000542913877 1013753676 /nfs/dbraw/zinc/75/36/76/1013753676.db2.gz PYDOGHDTAQIGMR-NRFANRHFSA-N 0 3 400.567 3.951 20 30 HHEDHN CCOc1c(Cl)cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000047010494 968030585 /nfs/dbraw/zinc/03/05/85/968030585.db2.gz UJOJHUHMJWVUHM-UHFFFAOYSA-N 0 3 415.921 3.823 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000047011328 968031246 /nfs/dbraw/zinc/03/12/46/968031246.db2.gz KPMBHDVWKFSENS-UHFFFAOYSA-N 0 3 413.905 3.577 20 30 HHEDHN N#Cc1cccc(COc2cccc(CNCc3ccc(N4CCOCC4)nc3)c2)c1 ZINC000047700475 968278156 /nfs/dbraw/zinc/27/81/56/968278156.db2.gz WVURGIGMYFEANJ-UHFFFAOYSA-N 0 3 414.509 3.659 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000065930774 968720649 /nfs/dbraw/zinc/72/06/49/968720649.db2.gz GFTZNDVLOBIIMD-UHFFFAOYSA-N 0 3 402.498 3.736 20 30 HHEDHN COc1ccc(Cl)cc1NCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930170 968720681 /nfs/dbraw/zinc/72/06/81/968720681.db2.gz KTCLKLDFQHDJKY-UHFFFAOYSA-N 0 3 414.937 3.613 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000065930420 968720858 /nfs/dbraw/zinc/72/08/58/968720858.db2.gz QYOBGVWCKSOAPL-UHFFFAOYSA-N 0 3 405.420 3.546 20 30 HHEDHN Cc1nc(-c2ccccn2)sc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930940 968721409 /nfs/dbraw/zinc/72/14/09/968721409.db2.gz INBBJTYABADALK-UHFFFAOYSA-N 0 3 405.527 3.589 20 30 HHEDHN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000097261613 969111903 /nfs/dbraw/zinc/11/19/03/969111903.db2.gz BPTZKAVBRDGXTQ-CRAIPNDOSA-N 0 3 422.510 3.616 20 30 HHEDHN Cc1nn(-c2ccccc2)c2sc(C(=O)C(C#N)C(=O)NCCCOC(C)C)cc12 ZINC000113141121 969824866 /nfs/dbraw/zinc/82/48/66/969824866.db2.gz YCCUMWCZBGWWHN-SFHVURJKSA-N 0 3 424.526 3.649 20 30 HHEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000138848789 970012474 /nfs/dbraw/zinc/01/24/74/970012474.db2.gz KLUOBJUXBPVUOP-CYBMUJFWSA-N 0 3 400.225 3.535 20 30 HHEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000143143902 970183997 /nfs/dbraw/zinc/18/39/97/970183997.db2.gz AHFULJUJIGZYEP-HSZRJFAPSA-N 0 3 407.562 3.608 20 30 HHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1 ZINC000237494126 970301341 /nfs/dbraw/zinc/30/13/41/970301341.db2.gz PFPANJOSLVFPAN-SFHVURJKSA-N 0 3 400.482 3.939 20 30 HHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237547950 970311400 /nfs/dbraw/zinc/31/14/00/970311400.db2.gz APBFOHGZPCUCTG-GBESFXJTSA-N 0 3 407.514 3.517 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCC[C@@H](C)C1 ZINC000425917997 974029304 /nfs/dbraw/zinc/02/93/04/974029304.db2.gz HNSWXVVDEUIAMH-MSOLQXFVSA-N 0 3 420.513 3.526 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCC[C@@H](C)C1 ZINC000425917998 974030463 /nfs/dbraw/zinc/03/04/63/974030463.db2.gz HNSWXVVDEUIAMH-QZTJIDSGSA-N 0 3 420.513 3.526 20 30 HHEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000426246132 974340561 /nfs/dbraw/zinc/34/05/61/974340561.db2.gz ZAPMJLNWDGCWTQ-IBGZPJMESA-N 0 3 418.541 3.620 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000426638776 974576576 /nfs/dbraw/zinc/57/65/76/974576576.db2.gz SHVCQEGRVHGGHD-QZTJIDSGSA-N 0 3 415.582 3.858 20 30 HHEDHN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000427638734 975220119 /nfs/dbraw/zinc/22/01/19/975220119.db2.gz VZBJGEFZHDUXCU-UHFFFAOYSA-N 0 3 404.495 3.625 20 30 HHEDHN N#Cc1cc(NC2CCN(CCN3CCOCC3)CC2)ccc1Oc1ccccc1 ZINC000428409920 975729433 /nfs/dbraw/zinc/72/94/33/975729433.db2.gz OKLFBBLYOLJNNC-UHFFFAOYSA-N 0 3 406.530 3.559 20 30 HHEDHN CC(C)N(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H](C)c1ccccc1 ZINC000428851759 976139085 /nfs/dbraw/zinc/13/90/85/976139085.db2.gz RZNUJLIBPIELBJ-TZIWHRDSSA-N 0 3 410.587 3.929 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429084976 976370929 /nfs/dbraw/zinc/37/09/29/976370929.db2.gz PHUBYMPQFFJAAT-CVDCTZTESA-N 0 3 413.525 3.714 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000430563169 977632746 /nfs/dbraw/zinc/63/27/46/977632746.db2.gz HZWQEXDTLGBVFX-KOMQPUFPSA-N 0 3 410.331 3.784 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2CCN([C@@H](C)c3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431036255 977969179 /nfs/dbraw/zinc/96/91/79/977969179.db2.gz VXBPBTGOANSWCM-PMOQBDJRSA-N 0 3 403.526 3.883 20 30 HHEDHN N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000432567017 978891717 /nfs/dbraw/zinc/89/17/17/978891717.db2.gz FQLJRNKLTXDGGV-IBGZPJMESA-N 0 3 410.543 3.682 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)N2CCCC2)cc1 ZINC000432720617 978947944 /nfs/dbraw/zinc/94/79/44/978947944.db2.gz YBBUZHWYCANCTR-QHCPKHFHSA-N 0 3 418.541 3.929 20 30 HHEDHN Cc1cccc(CN2CCN(C(=O)CN[C@H](CCCC#N)c3ccccc3)CC2)c1 ZINC000433012851 979041914 /nfs/dbraw/zinc/04/19/14/979041914.db2.gz VDYSRIBLVSZCLX-XMMPIXPASA-N 0 3 404.558 3.664 20 30 HHEDHN N#Cc1ccc(CNC(=O)CN2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000433294664 979221224 /nfs/dbraw/zinc/22/12/24/979221224.db2.gz NBXYDCAZNCINQR-LJQANCHMSA-N 0 3 412.331 3.502 20 30 HHEDHN N#CCCn1cc(CNCc2cc(Cl)c3c(c2)OCCCO3)c(-c2ccncc2)n1 ZINC000433312599 979230512 /nfs/dbraw/zinc/23/05/12/979230512.db2.gz RKLYRIJEHOPDLU-UHFFFAOYSA-N 0 3 423.904 3.963 20 30 HHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433320323 979234728 /nfs/dbraw/zinc/23/47/28/979234728.db2.gz RTTDDVKYOOHNCO-SYNHAJSKSA-N 0 3 406.368 3.756 20 30 HHEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434687121 980339808 /nfs/dbraw/zinc/33/98/08/980339808.db2.gz WPSQRSPKRDYYMV-SFHVURJKSA-N 0 3 423.536 3.873 20 30 HHEDHN CN(CCC(=O)Nc1cccc(C#N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000434788088 980398976 /nfs/dbraw/zinc/39/89/76/980398976.db2.gz XNQCDROAXFBPLT-AZUAARDMSA-N 0 3 404.297 3.784 20 30 HHEDHN N#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1C(F)(F)F ZINC000435159999 980688569 /nfs/dbraw/zinc/68/85/69/980688569.db2.gz YLBPNDSNHOXZKD-UHFFFAOYSA-N 0 3 423.460 3.651 20 30 HHEDHN N#Cc1cc(F)c(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000435379782 980828213 /nfs/dbraw/zinc/82/82/13/980828213.db2.gz NKVBYNIHIMQFSE-KRWDZBQOSA-N 0 3 407.424 3.732 20 30 HHEDHN Cc1cnn(-c2ccc(C)cc2NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000435559444 980941465 /nfs/dbraw/zinc/94/14/65/980941465.db2.gz PYVQPDCOZYRFEE-UHFFFAOYSA-N 0 3 416.529 3.957 20 30 HHEDHN C=CCC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000435760657 981019679 /nfs/dbraw/zinc/01/96/79/981019679.db2.gz LOOMVMIRNRRMKE-TZRRMPRUSA-N 0 3 407.558 3.876 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](N(Cc3ccc(F)cc3)C3CCOCC3)C2=O)cc1 ZINC000448511083 981841002 /nfs/dbraw/zinc/84/10/02/981841002.db2.gz RKYYBBZGUBZCNE-QHCPKHFHSA-N 0 3 407.489 3.874 20 30 HHEDHN N#Cc1ccc(N2CCC[C@@H](N(Cc3ccc(F)cc3)C3CCOCC3)C2=O)cc1 ZINC000448511082 981841179 /nfs/dbraw/zinc/84/11/79/981841179.db2.gz RKYYBBZGUBZCNE-HSZRJFAPSA-N 0 3 407.489 3.874 20 30 HHEDHN CCn1c(-c2ccc(C)s2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460209832 981985227 /nfs/dbraw/zinc/98/52/27/981985227.db2.gz GUXMLQDTEHUAQX-UHFFFAOYSA-N 0 3 406.559 3.919 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000437417428 982058998 /nfs/dbraw/zinc/05/89/98/982058998.db2.gz ZWBFCSUOYQZHQU-XXBNENTESA-N 0 3 415.578 3.652 20 30 HHEDHN N#Cc1ccc(CN2CCCN(Cc3cnn(Cc4ccc(F)cc4)c3)CC2)cc1 ZINC000437574938 982205974 /nfs/dbraw/zinc/20/59/74/982205974.db2.gz DQVRJBGEOHNORW-UHFFFAOYSA-N 0 3 403.505 3.650 20 30 HHEDHN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460783057 982535744 /nfs/dbraw/zinc/53/57/44/982535744.db2.gz CYLYMDFDKQIENG-SFHVURJKSA-N 0 3 413.591 3.828 20 30 HHEDHN CCOCCCn1c([C@H](C)CC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460795132 982547785 /nfs/dbraw/zinc/54/77/85/982547785.db2.gz YOGVQSVDKBACIU-HXUWFJFHSA-N 0 3 424.593 3.802 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC1 ZINC000461112491 982801895 /nfs/dbraw/zinc/80/18/95/982801895.db2.gz JSEAJMSPDJWYON-UHFFFAOYSA-N 0 3 402.489 3.964 20 30 HHEDHN CC(C)C1CCC(N2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)CC1 ZINC000438549115 982888763 /nfs/dbraw/zinc/88/87/63/982888763.db2.gz YGJFYHNTIOJVRE-UUKMXZOPSA-N 0 3 400.592 3.557 20 30 HHEDHN CN(C)Cc1c2ccccc2oc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000438607698 982935094 /nfs/dbraw/zinc/93/50/94/982935094.db2.gz LOFVGRQOIPQOQM-UHFFFAOYSA-N 0 3 418.497 3.881 20 30 HHEDHN C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000438659217 982977008 /nfs/dbraw/zinc/97/70/08/982977008.db2.gz XQOIBBSFRGUZMM-KNQAVFIVSA-N 0 3 421.541 3.874 20 30 HHEDHN N#CCC[C@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000438845231 983112081 /nfs/dbraw/zinc/11/20/81/983112081.db2.gz ZKPZGXDUTFKQRW-DEOSSOPVSA-N 0 3 419.573 3.539 20 30 HHEDHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000438851628 983118110 /nfs/dbraw/zinc/11/81/10/983118110.db2.gz ZARCHURTEJRILR-DEOSSOPVSA-N 0 3 419.573 3.668 20 30 HHEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000439231761 983321514 /nfs/dbraw/zinc/32/15/14/983321514.db2.gz WBFADEKWFOLGHR-GOSISDBHSA-N 0 3 417.962 3.744 20 30 HHEDHN C[C@@H]1C[C@@H](c2ccccc2)CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000439328175 983367330 /nfs/dbraw/zinc/36/73/30/983367330.db2.gz WXRWTRWXZKMQJA-HJNYFJLDSA-N 0 3 422.598 3.725 20 30 HHEDHN N#Cc1ccc(CN(C[C@H](O)COc2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000439429193 983405184 /nfs/dbraw/zinc/40/51/84/983405184.db2.gz HLCDPQPGECMNMU-IBGZPJMESA-N 0 3 419.294 3.864 20 30 HHEDHN C[C@H](NCc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1cccc(C#N)c1 ZINC000439597245 983465503 /nfs/dbraw/zinc/46/55/03/983465503.db2.gz NNNAZZVMPNAIGV-SFHVURJKSA-N 0 3 402.498 3.900 20 30 HHEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439731732 983518386 /nfs/dbraw/zinc/51/83/86/983518386.db2.gz KPVJLFFORJVELH-WZONZLPQSA-N 0 3 406.530 3.698 20 30 HHEDHN Cc1ccc(-c2ccnn2C)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000439957507 983594687 /nfs/dbraw/zinc/59/46/87/983594687.db2.gz KERRFODOPRDCEB-UHFFFAOYSA-N 0 3 416.529 3.863 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C[C@H](C)O1 ZINC000440252072 983697567 /nfs/dbraw/zinc/69/75/67/983697567.db2.gz DUJKNNCGMQHENM-MZKRTTBSSA-N 0 3 412.578 3.952 20 30 HHEDHN COc1cc(CNCCC(=O)Nc2cc(Br)ccc2C)ccc1C#N ZINC000440828773 983926306 /nfs/dbraw/zinc/92/63/06/983926306.db2.gz UJETYYJDHGLDJP-UHFFFAOYSA-N 0 3 402.292 3.756 20 30 HHEDHN Clc1ccccc1C#CCN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000441143147 984089023 /nfs/dbraw/zinc/08/90/23/984089023.db2.gz DLBGECOHKNZDAQ-OAQYLSRUSA-N 0 3 408.977 3.621 20 30 HHEDHN N#CC1CCC(CN[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000442109869 984640877 /nfs/dbraw/zinc/64/08/77/984640877.db2.gz LWQDPSURIOGNJR-QPFKGPCDSA-N 0 3 405.498 3.692 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461924053 984934135 /nfs/dbraw/zinc/93/41/35/984934135.db2.gz ZLGRVDLDOKEWCU-IRXDYDNUSA-N 0 3 409.452 3.776 20 30 HHEDHN Cc1nc(SCC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c(C#N)c(C)c1C ZINC000462191448 985173724 /nfs/dbraw/zinc/17/37/24/985173724.db2.gz SOCRBQDFMOXCRE-QVKFZJNVSA-N 0 3 408.571 3.607 20 30 HHEDHN CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](NCc2ccccc2C(C)(C)C#N)C1=O ZINC000442798688 985219746 /nfs/dbraw/zinc/21/97/46/985219746.db2.gz YTRSXWMSAHHWLT-UXHICEINSA-N 0 3 413.562 3.545 20 30 HHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(Br)cn2C(C)C)n1 ZINC000442811433 985223938 /nfs/dbraw/zinc/22/39/38/985223938.db2.gz CDSJIRYGFIQEOS-NSHDSACASA-N 0 3 410.293 3.955 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000443671181 985877041 /nfs/dbraw/zinc/87/70/41/985877041.db2.gz BOPWBWQDDWIESU-BGYRXZFFSA-N 0 3 421.541 3.756 20 30 HHEDHN O=C(CN(C[C@H]1CCCO1)C1CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444213073 986396407 /nfs/dbraw/zinc/39/64/07/986396407.db2.gz OTFMREBHHVPEOD-HXUWFJFHSA-N 0 3 408.464 3.597 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)c(Br)c1 ZINC000463483551 986459637 /nfs/dbraw/zinc/45/96/37/986459637.db2.gz IJARRIFKHFLNGK-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)C[C@H](C)O1 ZINC000468812127 986520432 /nfs/dbraw/zinc/52/04/32/986520432.db2.gz CLRCMYWFOXINTI-HDICACEKSA-N 0 3 422.529 3.565 20 30 HHEDHN C=CCc1ccc(OCC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c(OC)c1 ZINC000444539173 986729293 /nfs/dbraw/zinc/72/92/93/986729293.db2.gz DSNDLUBBVGLFND-UHFFFAOYSA-N 0 3 424.541 3.646 20 30 HHEDHN N#Cc1cccc(-c2cc(C(=O)NC[C@H]3CCCN(Cc4cccs4)C3)on2)c1 ZINC000469051075 986760972 /nfs/dbraw/zinc/76/09/72/986760972.db2.gz RKCRWPLZHXSJOF-QGZVFWFLSA-N 0 3 406.511 3.917 20 30 HHEDHN N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)on2)c1 ZINC000469050911 986761076 /nfs/dbraw/zinc/76/10/76/986761076.db2.gz RKCRWPLZHXSJOF-KRWDZBQOSA-N 0 3 406.511 3.917 20 30 HHEDHN COc1ccc(C[C@@H](N[C@H](C)C(=O)NC2(C#N)CCC2)c2ccc(OC)cc2)cc1 ZINC000469152232 986876509 /nfs/dbraw/zinc/87/65/09/986876509.db2.gz WBDVLILIFKSPEK-VGOFRKELSA-N 0 3 407.514 3.528 20 30 HHEDHN C=CC[C@@H]1N(CC(=O)NCC(=O)Nc2ccccc2Br)CCCC1(C)C ZINC000444778649 986937172 /nfs/dbraw/zinc/93/71/72/986937172.db2.gz WYWRRKHZIVUGNK-KRWDZBQOSA-N 0 3 422.367 3.571 20 30 HHEDHN Cc1ccn(-c2ccccc2NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000469854163 987490960 /nfs/dbraw/zinc/49/09/60/987490960.db2.gz VQOIWBFYAWACEZ-UHFFFAOYSA-N 0 3 402.502 3.648 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000470343668 988310049 /nfs/dbraw/zinc/31/00/49/988310049.db2.gz HSXYPQFBWFZWIQ-SFHVURJKSA-N 0 3 408.502 3.579 20 30 HHEDHN CC1CCN([C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000470758401 988800391 /nfs/dbraw/zinc/80/03/91/988800391.db2.gz YYDVTLCVOTVCRB-SFTDATJTSA-N 0 3 406.555 3.891 20 30 HHEDHN CC(C)(C)C(=O)N1CCC(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000471020448 989090910 /nfs/dbraw/zinc/09/09/10/989090910.db2.gz USYFHCKKZHDRSL-OAQYLSRUSA-N 0 3 416.997 3.807 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(Oc3ccccn3)CC1)CCCC2 ZINC000471152423 989266884 /nfs/dbraw/zinc/26/68/84/989266884.db2.gz RGDOHXBCMPDPKW-UHFFFAOYSA-N 0 3 410.543 3.766 20 30 HHEDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000464970557 989271753 /nfs/dbraw/zinc/27/17/53/989271753.db2.gz GLBYBFSZPUKTAR-LJQANCHMSA-N 0 3 420.557 3.662 20 30 HHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000465534377 989896529 /nfs/dbraw/zinc/89/65/29/989896529.db2.gz QEEZNQCIRPSEHT-DNQXCXABSA-N 0 3 402.542 3.916 20 30 HHEDHN CN1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H]1c1ccccc1 ZINC000471957430 990122221 /nfs/dbraw/zinc/12/22/21/990122221.db2.gz VFLMFPKFEZXESX-GHTZIAJQSA-N 0 3 420.904 3.964 20 30 HHEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000466522586 991816297 /nfs/dbraw/zinc/81/62/97/991816297.db2.gz NLRWJGIAKLTJCP-KNQAVFIVSA-N 0 3 418.541 3.774 20 30 HHEDHN CC[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCc2ccccc2C1 ZINC000466622495 991938639 /nfs/dbraw/zinc/93/86/39/991938639.db2.gz YVYZZXDETRFUSY-FQEVSTJZSA-N 0 3 407.518 3.723 20 30 HHEDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000472429814 993430637 /nfs/dbraw/zinc/43/06/37/993430637.db2.gz JYZNPSKUBQFROF-UHFFFAOYSA-N 0 3 402.539 3.742 20 30 HHEDHN C=CCC[C@H](NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1)c1ccccc1 ZINC000473415907 994267985 /nfs/dbraw/zinc/26/79/85/994267985.db2.gz QXMLBZIDXVCLPA-QHCPKHFHSA-N 0 3 420.557 3.591 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)Nc3ccc(F)c(C#N)c3)CC2)c1 ZINC000481689035 994549096 /nfs/dbraw/zinc/54/90/96/994549096.db2.gz XFSGXAMDAXEADW-UHFFFAOYSA-N 0 3 409.509 3.730 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000474335431 995315738 /nfs/dbraw/zinc/31/57/38/995315738.db2.gz ZCXGOVQMDUPQAB-KRWDZBQOSA-N 0 3 419.875 3.732 20 30 HHEDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000474804117 995716328 /nfs/dbraw/zinc/71/63/28/995716328.db2.gz LACBHMDJKDLICR-UHFFFAOYSA-N 0 3 424.520 3.636 20 30 HHEDHN C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000483016305 995921222 /nfs/dbraw/zinc/92/12/22/995921222.db2.gz PQZOAJOLFAXPBP-BWKNWUBXSA-N 0 3 416.569 3.576 20 30 HHEDHN CCN(C(=O)Nc1cc(C#N)ccc1OCCOC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475102510 995923660 /nfs/dbraw/zinc/92/36/60/995923660.db2.gz UEQICOVONJLARS-NRFANRHFSA-N 0 3 422.529 3.712 20 30 HHEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@H]1CCC(C)(C)C1 ZINC000483125073 995990578 /nfs/dbraw/zinc/99/05/78/995990578.db2.gz RETJACVTQOQBTR-ZWKOTPCHSA-N 0 3 412.578 3.867 20 30 HHEDHN CCN1CCC[C@@H](CN(C)C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000476011494 996540283 /nfs/dbraw/zinc/54/02/83/996540283.db2.gz MSQDQFCKRPPTAV-SIKLNZKXSA-N 0 3 407.562 3.766 20 30 HHEDHN C[C@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000484338561 996713027 /nfs/dbraw/zinc/71/30/27/996713027.db2.gz WHYJBNVLUYYZEQ-SQJMNOBHSA-N 0 3 416.569 3.576 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476426839 996895611 /nfs/dbraw/zinc/89/56/11/996895611.db2.gz GPGSXFPOLTYDCA-JIPZTSHUSA-N 0 3 417.962 3.647 20 30 HHEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000485324441 997736849 /nfs/dbraw/zinc/73/68/49/997736849.db2.gz WQQAZOUCUZGSBS-KSFYIVLOSA-N 0 3 417.513 3.688 20 30 HHEDHN C=C(C)[C@@H](NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C)c1ccc(F)c(F)c1 ZINC000477665654 998378648 /nfs/dbraw/zinc/37/86/48/998378648.db2.gz SZQJHXVAACFWTK-HXUWFJFHSA-N 0 3 401.457 3.707 20 30 HHEDHN N#CCCN(CCC#N)C(=O)CNC1(c2cccc(Br)c2)CCCCC1 ZINC000477669135 998381507 /nfs/dbraw/zinc/38/15/07/998381507.db2.gz YNFIHVMSBADUKP-UHFFFAOYSA-N 0 3 417.351 3.854 20 30 HHEDHN CN(C)C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(F)cc1 ZINC000487930138 999319239 /nfs/dbraw/zinc/31/92/39/999319239.db2.gz BNXFYMOYWOQALJ-QGZVFWFLSA-N 0 3 405.271 3.884 20 30 HHEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000479323860 999385362 /nfs/dbraw/zinc/38/53/62/999385362.db2.gz ZFTDZVVIVCEBTJ-OAQYLSRUSA-N 0 3 411.546 3.697 20 30 HHEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000488332722 999444346 /nfs/dbraw/zinc/44/43/46/999444346.db2.gz TWFPCYRZUQWAKJ-IRXDYDNUSA-N 0 3 402.564 3.798 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)NCC(C)(C)N2CCCCC2)nnc1-c1ccco1 ZINC000479831092 999616288 /nfs/dbraw/zinc/61/62/88/999616288.db2.gz QWGWYEJGZJRWQI-UHFFFAOYSA-N 0 3 417.579 3.587 20 30 HHEDHN N#Cc1c(C#N)c2c(nc1NC[C@H]1C[C@H](O)CN1Cc1ccccc1)CCCCCC2 ZINC000480084656 999712956 /nfs/dbraw/zinc/71/29/56/999712956.db2.gz KCYHSGWFWZEIJQ-UXHICEINSA-N 0 3 415.541 3.531 20 30 HHEDHN CCCN(CCN1CCCC1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000480361031 999779951 /nfs/dbraw/zinc/77/99/51/999779951.db2.gz CADLQLVRHLGDSS-UHFFFAOYSA-N 0 3 400.914 3.737 20 30 HHEDHN N#Cc1cccc(OCCN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000493874756 1000199771 /nfs/dbraw/zinc/19/97/71/1000199771.db2.gz PAICAHYZAMAPKZ-MRXNPFEDSA-N 0 3 415.419 3.878 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000494468394 1000508118 /nfs/dbraw/zinc/50/81/18/1000508118.db2.gz BOQBGQBLYFGNOJ-ACRUOGEOSA-N 0 3 413.880 3.966 20 30 HHEDHN C[C@@H](C1CC1)N(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000494787051 1000656266 /nfs/dbraw/zinc/65/62/66/1000656266.db2.gz YFUODYLKURIGME-LPHOPBHVSA-N 0 3 410.562 3.619 20 30 HHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3ccc(N4CCOCC4)nc3)n2)cc1 ZINC000505455840 1000784981 /nfs/dbraw/zinc/78/49/81/1000784981.db2.gz RCOIHHPSTGPDMV-GOSISDBHSA-N 0 3 419.510 3.596 20 30 HHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000505469012 1000795412 /nfs/dbraw/zinc/79/54/12/1000795412.db2.gz YNBKBBZYADNAJE-KRWDZBQOSA-N 0 3 411.508 3.768 20 30 HHEDHN C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000505598370 1000927365 /nfs/dbraw/zinc/92/73/65/1000927365.db2.gz YUXZNBFVYCFGFY-AVRDEDQJSA-N 0 3 401.514 3.885 20 30 HHEDHN COc1cc(NC(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1 ZINC000505770648 1001014405 /nfs/dbraw/zinc/01/44/05/1001014405.db2.gz HOYDKIFEEZUFQI-GOSISDBHSA-N 0 3 404.451 3.945 20 30 HHEDHN CS[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000495671539 1001060271 /nfs/dbraw/zinc/06/02/71/1001060271.db2.gz ODTOOUSGBPCLDB-CTNGQTDRSA-N 0 3 411.596 3.968 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000506492586 1001438107 /nfs/dbraw/zinc/43/81/07/1001438107.db2.gz UYLJDXYMXYRUMQ-MRXNPFEDSA-N 0 3 400.498 3.896 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccnc(OC3CCC(C)CC3)c2)CC1 ZINC000506694910 1001495922 /nfs/dbraw/zinc/49/59/22/1001495922.db2.gz FQZVAUSPURLJED-UHFFFAOYSA-N 0 3 400.567 3.879 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507341704 1002010412 /nfs/dbraw/zinc/01/04/12/1002010412.db2.gz QAGURQDGWMDXGX-KNQAVFIVSA-N 0 3 418.541 3.947 20 30 HHEDHN C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507419626 1002061166 /nfs/dbraw/zinc/06/11/66/1002061166.db2.gz GGUCAZFAPGRKBT-FOIQADDNSA-N 0 3 410.905 3.714 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507768435 1002334940 /nfs/dbraw/zinc/33/49/40/1002334940.db2.gz ALCDCLPBDNQDBM-JOCHJYFZSA-N 0 3 412.505 3.645 20 30 HHEDHN COc1ccc(C[C@@H](NCC(=O)NC2(C#N)CCCCC2)c2ccc(OC)cc2)cc1 ZINC000499051260 1002432450 /nfs/dbraw/zinc/43/24/50/1002432450.db2.gz CJTCRYRFOSQIQZ-HSZRJFAPSA-N 0 3 421.541 3.920 20 30 HHEDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1OCC(C)C ZINC000499054565 1002436749 /nfs/dbraw/zinc/43/67/49/1002436749.db2.gz RVLHCACSESCAMW-UHFFFAOYSA-N 0 3 409.530 3.806 20 30 HHEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000499604968 1002978100 /nfs/dbraw/zinc/97/81/00/1002978100.db2.gz XNSUCYBWLHGQDP-AWEZNQCLSA-N 0 3 409.324 3.971 20 30 HHEDHN C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508793444 1003222196 /nfs/dbraw/zinc/22/21/96/1003222196.db2.gz HUBXHUJDXUVGCB-QGZVFWFLSA-N 0 3 401.580 3.541 20 30 HHEDHN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC000508825606 1003248427 /nfs/dbraw/zinc/24/84/27/1003248427.db2.gz FQKNKFBUXKQPLQ-FQEVSTJZSA-N 0 3 420.561 3.616 20 30 HHEDHN C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508842438 1003263205 /nfs/dbraw/zinc/26/32/05/1003263205.db2.gz BLZANNBZAWUSIA-MBSDFSHPSA-N 0 3 406.530 3.802 20 30 HHEDHN C=CCn1c(-c2ncccc2C)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508845947 1003267050 /nfs/dbraw/zinc/26/70/50/1003267050.db2.gz DTDWTJFDJLFFLL-BGYRXZFFSA-N 0 3 424.593 3.550 20 30 HHEDHN C=CCN1CC[C@@H](N(C)CCCC(=O)Nc2c(CC)ccc(Cl)c2CC)C1=O ZINC000500000250 1003318591 /nfs/dbraw/zinc/31/85/91/1003318591.db2.gz XKYGEKZAAGPXSL-LJQANCHMSA-N 0 3 405.970 3.902 20 30 HHEDHN C=CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000508954128 1003411755 /nfs/dbraw/zinc/41/17/55/1003411755.db2.gz WWIAUBLHMMOYSK-HSZRJFAPSA-N 0 3 416.573 3.941 20 30 HHEDHN N#Cc1ccc(OC2CCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC2)cc1 ZINC000509375172 1003802114 /nfs/dbraw/zinc/80/21/14/1003802114.db2.gz XBAQIHBUWODNQC-XMMPIXPASA-N 0 3 418.541 3.948 20 30 HHEDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000509382280 1003811712 /nfs/dbraw/zinc/81/17/12/1003811712.db2.gz HIZYYMHNFGNGBV-OAQYLSRUSA-N 0 3 424.545 3.800 20 30 HHEDHN CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3ccc(C#N)cc3F)CC2)cc1 ZINC000512637012 1004449309 /nfs/dbraw/zinc/44/93/09/1004449309.db2.gz QPMDPWVWCVOLGY-INIZCTEOSA-N 0 3 415.534 3.811 20 30 HHEDHN C=CCc1cc(CN2CCC(C(=O)NCc3ccc(OC)cc3)CC2)cc(OC)c1O ZINC000512671831 1004481508 /nfs/dbraw/zinc/48/15/08/1004481508.db2.gz CXRRRMRAUQAXQJ-UHFFFAOYSA-N 0 3 424.541 3.666 20 30 HHEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000510534444 1004666082 /nfs/dbraw/zinc/66/60/82/1004666082.db2.gz PRDZDBCCONIWAH-QHCPKHFHSA-N 0 3 418.541 3.897 20 30 HHEDHN N#Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)CC2)c(F)c1 ZINC000512929963 1004703363 /nfs/dbraw/zinc/70/33/63/1004703363.db2.gz KUQRBHGCUGHBIN-QFIPXVFZSA-N 0 3 420.532 3.695 20 30 HHEDHN Cc1nc(COc2ccccc2C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)no1 ZINC000513167241 1004842006 /nfs/dbraw/zinc/84/20/06/1004842006.db2.gz VBMNCMBLMXQIOZ-AWEZNQCLSA-N 0 3 402.332 3.861 20 30 HHEDHN COc1cc(CN2CCC(Cn3ccnn3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000510771359 1004843550 /nfs/dbraw/zinc/84/35/50/1004843550.db2.gz VLHZMBBMRMPVCT-UHFFFAOYSA-N 0 3 417.513 3.650 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2cccs2)n1 ZINC000513471471 1004980527 /nfs/dbraw/zinc/98/05/27/1004980527.db2.gz MQUWGBMVYOLTRQ-UHFFFAOYSA-N 0 3 410.568 3.876 20 30 HHEDHN CN(CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)CC1CCOCC1 ZINC000502506939 1005095603 /nfs/dbraw/zinc/09/56/03/1005095603.db2.gz LVRAHZMCCMWDON-UHFFFAOYSA-N 0 3 406.530 3.525 20 30 HHEDHN CCN1CC[C@H]2OCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)[C@H]2C1 ZINC000502539974 1005109523 /nfs/dbraw/zinc/10/95/23/1005109523.db2.gz VBTXWBFKBIPNKP-FCHUYYIVSA-N 0 3 421.566 3.786 20 30 HHEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC000513790528 1005128790 /nfs/dbraw/zinc/12/87/90/1005128790.db2.gz ZFWDJVSUJLZSFY-OALUTQOASA-N 0 3 400.906 3.742 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000511373318 1005144968 /nfs/dbraw/zinc/14/49/68/1005144968.db2.gz XHDMBYUAEVYKGD-VWNXMTODSA-N 0 3 420.557 3.799 20 30 HHEDHN CCOc1cc(C(=O)C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)OC ZINC000503579283 1005457632 /nfs/dbraw/zinc/45/76/32/1005457632.db2.gz LHTFROOIPZQIHW-AWEZNQCLSA-N 0 3 410.451 3.737 20 30 HHEDHN N#C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000531114869 1006002041 /nfs/dbraw/zinc/00/20/41/1006002041.db2.gz BMTHXQJMPLRGBK-PKOBYXMFSA-N 0 3 418.419 3.573 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000514892195 1006190616 /nfs/dbraw/zinc/19/06/16/1006190616.db2.gz PRYZMZITCJSDCP-UHFFFAOYSA-N 0 3 413.591 3.840 20 30 HHEDHN Cc1cc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F ZINC000515511319 1006506730 /nfs/dbraw/zinc/50/67/30/1006506730.db2.gz BKGSWQBIGMLYMJ-IBGZPJMESA-N 0 3 422.447 3.988 20 30 HHEDHN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000538373035 1006643716 /nfs/dbraw/zinc/64/37/16/1006643716.db2.gz VKCPBHWLIDSFPE-VGOFRKELSA-N 0 3 412.509 3.547 20 30 HHEDHN CCC[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538388856 1006658212 /nfs/dbraw/zinc/65/82/12/1006658212.db2.gz HYIMZUQWPVDNHW-XZOQPEGZSA-N 0 3 408.521 3.666 20 30 HHEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000516277063 1006991670 /nfs/dbraw/zinc/99/16/70/1006991670.db2.gz BZQKKKYWOLLDPX-QZTJIDSGSA-N 0 3 420.513 3.526 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN(C)[C@@H]2CCCc3nc(C)sc32)c(OC)c1 ZINC000532716440 1007128364 /nfs/dbraw/zinc/12/83/64/1007128364.db2.gz QHEQJGPODTZTDO-IEBWSBKVSA-N 0 3 402.560 3.938 20 30 HHEDHN CN1CCN(Cc2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)cc2)CC1 ZINC000532890581 1007270644 /nfs/dbraw/zinc/27/06/44/1007270644.db2.gz PDUVFBJDBNEKOK-UHFFFAOYSA-N 0 3 414.557 3.823 20 30 HHEDHN Cn1cc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000516854991 1007321943 /nfs/dbraw/zinc/32/19/43/1007321943.db2.gz JMJCXOUSPCMMLV-UHFFFAOYSA-N 0 3 409.497 3.704 20 30 HHEDHN CC[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000539276972 1007571366 /nfs/dbraw/zinc/57/13/66/1007571366.db2.gz SEEIURSXXBKFSD-OXJNMPFZSA-N 0 3 411.477 3.973 20 30 HHEDHN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000535544656 1007584900 /nfs/dbraw/zinc/58/49/00/1007584900.db2.gz ZUCNMEJSJKWKSZ-MRXNPFEDSA-N 0 3 418.501 3.547 20 30 HHEDHN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)C2CCC(OC)CC2)cc1 ZINC000533299317 1007615932 /nfs/dbraw/zinc/61/59/32/1007615932.db2.gz VXWFEXXIQOQKCO-UHFFFAOYSA-N 0 3 424.545 3.802 20 30 HHEDHN COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(F)cc1 ZINC000539380376 1007685295 /nfs/dbraw/zinc/68/52/95/1007685295.db2.gz PKARRXOZNOXOAK-SFHVURJKSA-N 0 3 401.507 3.944 20 30 HHEDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000533397501 1007709861 /nfs/dbraw/zinc/70/98/61/1007709861.db2.gz WGMHJFKVIAOCKM-JOCHJYFZSA-N 0 3 421.541 3.884 20 30 HHEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CNC2(c3ccccc3)CCCC2)CC1 ZINC000539489915 1007800754 /nfs/dbraw/zinc/80/07/54/1007800754.db2.gz ALNKZURUUWOZDO-FQEVSTJZSA-N 0 3 408.571 3.516 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000517982454 1008086124 /nfs/dbraw/zinc/08/61/24/1008086124.db2.gz QXWSRUKDOUVKPU-UHFFFAOYSA-N 0 3 405.546 3.851 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000518016439 1008105186 /nfs/dbraw/zinc/10/51/86/1008105186.db2.gz KYPUXUNUMVDPKN-UHFFFAOYSA-N 0 3 410.493 3.528 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000539944963 1008198387 /nfs/dbraw/zinc/19/83/87/1008198387.db2.gz NMYLPIWCIBBKBZ-UHFFFAOYSA-N 0 3 407.514 3.718 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)CC1 ZINC000540233648 1008346732 /nfs/dbraw/zinc/34/67/32/1008346732.db2.gz VOOBEHRSBYDOFI-UHFFFAOYSA-N 0 3 402.322 3.791 20 30 HHEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(-n2cccn2)c1 ZINC000540387155 1008411314 /nfs/dbraw/zinc/41/13/14/1008411314.db2.gz PALCBZVURGVFGX-MSOLQXFVSA-N 0 3 405.477 3.997 20 30 HHEDHN COCCN1CCC(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000518857916 1008448488 /nfs/dbraw/zinc/44/84/88/1008448488.db2.gz KWDCQPBISQROAX-UHFFFAOYSA-N 0 3 409.555 3.691 20 30 HHEDHN C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC[C@@H]1c1ccccc1 ZINC000540553797 1008478876 /nfs/dbraw/zinc/47/88/76/1008478876.db2.gz MEHWJGVGZDMRME-HJNYFJLDSA-N 0 3 422.598 3.583 20 30 HHEDHN C=CCn1c(CCC2CCCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000548948364 1008534060 /nfs/dbraw/zinc/53/40/60/1008534060.db2.gz QSXJKDWZBMIJBJ-QFIPXVFZSA-N 0 3 414.642 3.582 20 30 HHEDHN COC(=O)[C@H](C)Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000545432005 1008543744 /nfs/dbraw/zinc/54/37/44/1008543744.db2.gz SDVQWZRJSNHQNO-GOSISDBHSA-N 0 3 422.529 3.506 20 30 HHEDHN CCN1CC[C@@H](NCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549116363 1008682837 /nfs/dbraw/zinc/68/28/37/1008682837.db2.gz NBLWHSWXWQMPTJ-TZIWHRDSSA-N 0 3 400.885 3.714 20 30 HHEDHN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000549292438 1008864729 /nfs/dbraw/zinc/86/47/29/1008864729.db2.gz RPMBOIZXYXSTFS-FGZHOGPDSA-N 0 3 409.578 3.849 20 30 HHEDHN CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000549400397 1008984958 /nfs/dbraw/zinc/98/49/58/1008984958.db2.gz RBVOGRVWFSRTIN-UHFFFAOYSA-N 0 3 400.530 3.937 20 30 HHEDHN CC(C)C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccs1 ZINC000543487192 1009076328 /nfs/dbraw/zinc/07/63/28/1009076328.db2.gz YDOMZBVBSNWMGO-ROUUACIJSA-N 0 3 416.616 3.895 20 30 HHEDHN N#Cc1cccc(-c2nnc(N3CCN(CC4CC4)CC3)n2CCc2ccccc2)c1 ZINC000549481317 1009081078 /nfs/dbraw/zinc/08/10/78/1009081078.db2.gz HFMKLOBIUIQIHN-UHFFFAOYSA-N 0 3 412.541 3.591 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(-n2cccn2)c1 ZINC000546152275 1009183095 /nfs/dbraw/zinc/18/30/95/1009183095.db2.gz KJYJUSHJEZLOED-UHFFFAOYSA-N 0 3 408.575 3.971 20 30 HHEDHN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000549691200 1009321320 /nfs/dbraw/zinc/32/13/20/1009321320.db2.gz YRXOPIYQTWOFPX-RBBKRZOGSA-N 0 3 409.578 3.555 20 30 HHEDHN COCCN1CCC(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000543903404 1009487630 /nfs/dbraw/zinc/48/76/30/1009487630.db2.gz VXJYSGWSAHGEMG-SFHVURJKSA-N 0 3 406.530 3.696 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000520437320 1009551851 /nfs/dbraw/zinc/55/18/51/1009551851.db2.gz RNNXYOFSYGTSJX-NZQKXSOJSA-N 0 3 417.557 3.615 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000520693591 1009761477 /nfs/dbraw/zinc/76/14/77/1009761477.db2.gz GVVJFCVTRYWZOX-UHFFFAOYSA-N 0 3 401.551 3.856 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000544176171 1009780275 /nfs/dbraw/zinc/78/02/75/1009780275.db2.gz RYIGUPCUXCKGSP-UPVQGACJSA-N 0 3 406.530 3.511 20 30 HHEDHN CC[C@@H](NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@@H]1CCCO1 ZINC000544460542 1010084151 /nfs/dbraw/zinc/08/41/51/1010084151.db2.gz OMSWBZNHQKVLAC-IRLDBZIGSA-N 0 3 406.530 3.713 20 30 HHEDHN C[C@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H](c1ccccc1)N(C)C ZINC000550766603 1010164287 /nfs/dbraw/zinc/16/42/87/1010164287.db2.gz WXQXEVRMOXTONP-KBXCAEBGSA-N 0 3 412.559 3.663 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N1CCCC[C@H]1C ZINC000521332026 1010311740 /nfs/dbraw/zinc/31/17/40/1010311740.db2.gz WUVRJTPTYGNWGA-QZTJIDSGSA-N 0 3 420.513 3.668 20 30 HHEDHN N#CC(C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccncn1 ZINC000544815110 1010407880 /nfs/dbraw/zinc/40/78/80/1010407880.db2.gz XMDHXGBUDUICEG-SKLOBRBISA-N 0 3 414.509 3.799 20 30 HHEDHN Cc1cc(COc2ccc(C(=O)C(C#N)c3ccncn3)cc2Br)on1 ZINC000544815131 1010407904 /nfs/dbraw/zinc/40/79/04/1010407904.db2.gz YUVLIDYJINURMV-AWEZNQCLSA-N 0 3 413.231 3.605 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)CC1 ZINC000521588532 1010484739 /nfs/dbraw/zinc/48/47/39/1010484739.db2.gz FEDVBGCVFYODGC-UHFFFAOYSA-N 0 3 406.958 3.888 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1)[C@H]1CCCN(C)C1 ZINC000547962694 1010485169 /nfs/dbraw/zinc/48/51/69/1010485169.db2.gz DUBTVIBVYAPANZ-IBGZPJMESA-N 0 3 410.905 3.630 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000548171041 1010551180 /nfs/dbraw/zinc/55/11/80/1010551180.db2.gz LVHHAIKZGQHAPR-LJQANCHMSA-N 0 3 404.436 3.935 20 30 HHEDHN N#C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000521886423 1010685749 /nfs/dbraw/zinc/68/57/49/1010685749.db2.gz WOMCAZXPMGWZOO-LPHOPBHVSA-N 0 3 403.313 3.981 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000540786305 1011445807 /nfs/dbraw/zinc/44/58/07/1011445807.db2.gz GMFAJPRAMLDGIY-UHFFFAOYSA-N 0 3 416.569 3.882 20 30 HHEDHN CN(C)[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccccc1 ZINC000541097869 1011744325 /nfs/dbraw/zinc/74/43/25/1011744325.db2.gz RBMHRTQWGYDIQQ-IBGZPJMESA-N 0 3 408.893 3.822 20 30 HHEDHN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C#N)cn1)C(C)(C)NC(C)(C)C2 ZINC000523307046 1011784532 /nfs/dbraw/zinc/78/45/32/1011784532.db2.gz VNFZAIXGSMWEHL-UHFFFAOYSA-N 0 3 412.515 3.603 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2C#N)N(CC)CC)cc1 ZINC000551799630 1011957133 /nfs/dbraw/zinc/95/71/33/1011957133.db2.gz PZRDAJQSVGEVNZ-QFIPXVFZSA-N 0 3 406.530 3.567 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCCCc2ccc(Br)cc2OC)CC1 ZINC000541326937 1012037342 /nfs/dbraw/zinc/03/73/42/1012037342.db2.gz YDKMPNYVVLNIQS-UHFFFAOYSA-N 0 3 424.383 3.730 20 30 HHEDHN N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 ZINC000552199215 1012210950 /nfs/dbraw/zinc/21/09/50/1012210950.db2.gz QNPRLKUBVJZHTI-NRFANRHFSA-N 0 3 417.465 3.549 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000541493853 1012270144 /nfs/dbraw/zinc/27/01/44/1012270144.db2.gz YKJTZLWUFIILGK-QFIPXVFZSA-N 0 3 422.529 3.851 20 30 HHEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000537108807 1012480829 /nfs/dbraw/zinc/48/08/29/1012480829.db2.gz KMEHRGJFUDQJSH-QZTJIDSGSA-N 0 3 423.536 3.517 20 30 HHEDHN C[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000541690132 1012532138 /nfs/dbraw/zinc/53/21/38/1012532138.db2.gz FREBKFWVYONORI-WCJKSRRJSA-N 0 3 416.443 3.716 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CC1 ZINC000523910646 1012628148 /nfs/dbraw/zinc/62/81/48/1012628148.db2.gz URTSEVNXMJHVOS-LJAQVGFWSA-N 0 3 411.571 3.907 20 30 HHEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000537249456 1012695067 /nfs/dbraw/zinc/69/50/67/1012695067.db2.gz UTJCATREPAFNBU-REWPJTCUSA-N 0 3 408.571 3.588 20 30 HHEDHN COc1ccc(C(=O)N2CCCC2)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000541901634 1012762075 /nfs/dbraw/zinc/76/20/75/1012762075.db2.gz BQTKVTJXXONTRV-UHFFFAOYSA-N 0 3 418.541 3.879 20 30 HHEDHN Cc1cc(-c2noc([C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)n2)ccc1C#N ZINC001212065829 1071948701 /nfs/dbraw/zinc/94/87/01/1071948701.db2.gz XNHNFQMGGNBOAD-SFTDATJTSA-N 0 3 417.513 3.690 20 30 HHEDHN C=CCOc1ccc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000487869621 1072106759 /nfs/dbraw/zinc/10/67/59/1072106759.db2.gz KHMXJUBTFKFRNY-GOSISDBHSA-N 0 3 400.544 3.984 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(OC(C)=O)cc1 ZINC000760393770 1072317029 /nfs/dbraw/zinc/31/70/29/1072317029.db2.gz DRCFFCSPRQSYJK-UHFFFAOYSA-N 0 3 400.548 3.710 20 30 HHEDHN N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C2)c(F)c1 ZINC000587121347 1072512086 /nfs/dbraw/zinc/51/20/86/1072512086.db2.gz UQATYCXPJJDRFZ-FYYLOGMGSA-N 0 3 420.532 3.867 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001625996372 1072512287 /nfs/dbraw/zinc/51/22/87/1072512287.db2.gz HWTAXAHKKBAQJP-UHFFFAOYSA-N 0 3 423.517 3.504 20 30 HHEDHN CCN1CC[C@@H](NCC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555132875 1073184297 /nfs/dbraw/zinc/18/42/97/1073184297.db2.gz NHZZEQVLPIGDEP-SJLPKXTDSA-N 0 3 406.914 3.776 20 30 HHEDHN CN(C)C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(F)cc1 ZINC000588769714 1073220953 /nfs/dbraw/zinc/22/09/53/1073220953.db2.gz LVDKQEJWUIIVOA-FQEVSTJZSA-N 0 3 407.445 3.902 20 30 HHEDHN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000555250607 1073280869 /nfs/dbraw/zinc/28/08/69/1073280869.db2.gz ONIYIKZFJCPXMU-QFIPXVFZSA-N 0 3 409.578 3.697 20 30 HHEDHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000555244178 1073286377 /nfs/dbraw/zinc/28/63/77/1073286377.db2.gz YAVPXLAMUOUINL-OALUTQOASA-N 0 3 412.582 3.565 20 30 HHEDHN CN1CCC(N(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c2ccccc2)CC1 ZINC000588879718 1073325580 /nfs/dbraw/zinc/32/55/80/1073325580.db2.gz HNFVGJBGCLSXAE-IBGZPJMESA-N 0 3 406.505 3.651 20 30 HHEDHN CCO[C@@H]1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]1n1cccn1 ZINC000555648768 1073704286 /nfs/dbraw/zinc/70/42/86/1073704286.db2.gz WOEBNLSYSGLOGC-VXNXHJTFSA-N 0 3 402.498 3.842 20 30 HHEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)CC1 ZINC000592068682 1074686727 /nfs/dbraw/zinc/68/67/27/1074686727.db2.gz SENNDRFNQVRZGX-GFCCVEGCSA-N 0 3 401.732 3.636 20 30 HHEDHN N#Cc1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ccc1Cl ZINC001164904035 721586511 /nfs/dbraw/zinc/58/65/11/721586511.db2.gz CPQQTDJPDLSBHX-LJQANCHMSA-N 0 3 403.864 3.739 20 30 HHEDHN N#Cc1ccc(OCCN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000537532780 1013048530 /nfs/dbraw/zinc/04/85/30/1013048530.db2.gz BUTSOLYNMRMJMB-UHFFFAOYSA-N 0 3 420.431 3.905 20 30 HHEDHN C=CCN1CCC(Nc2cc(C(=O)OC)nc3ccc(Br)cc32)CC1 ZINC000301405725 970912529 /nfs/dbraw/zinc/91/25/29/970912529.db2.gz UIYROBROLCDUNI-UHFFFAOYSA-N 0 3 404.308 3.846 20 30 HHEDHN N#Cc1ccc2nc(N3CCC[C@H](CN4CCN(c5ccccn5)CC4)C3)ccc2c1 ZINC000301970044 971136845 /nfs/dbraw/zinc/13/68/45/971136845.db2.gz CTHJMBJMEYVEJY-OAQYLSRUSA-N 0 3 412.541 3.540 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000302949484 971414206 /nfs/dbraw/zinc/41/42/06/971414206.db2.gz CPILBYIMGYIEIV-UHFFFAOYSA-N 0 3 420.488 3.875 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)CC1 ZINC000303269429 971588871 /nfs/dbraw/zinc/58/88/71/971588871.db2.gz CAWNLPBKBDMRAU-GOSISDBHSA-N 0 3 404.986 3.814 20 30 HHEDHN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(CCO)C2CCCCC2)cc1 ZINC000303511915 971811924 /nfs/dbraw/zinc/81/19/24/971811924.db2.gz XCQZDBCULPNCHQ-UHFFFAOYSA-N 0 3 424.545 3.540 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000553325832 1013276380 /nfs/dbraw/zinc/27/63/80/1013276380.db2.gz YDJYBPLWHUPVDE-OAQYLSRUSA-N 0 3 417.981 3.844 20 30 HHEDHN C=CCc1cc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc(OC)c1OC ZINC000011951725 962214245 /nfs/dbraw/zinc/21/42/45/962214245.db2.gz AOUYIYFEXVXWJC-UHFFFAOYSA-N 0 3 409.530 3.827 20 30 HHEDHN CC[C@@H](CNC(=O)Nc1cc(C#N)ccc1OCCOC)N1CCc2ccccc2C1 ZINC000542421000 1013372844 /nfs/dbraw/zinc/37/28/44/1013372844.db2.gz DPIKRLLFXNCYSH-NRFANRHFSA-N 0 3 422.529 3.542 20 30 HHEDHN C=CCOc1cccc(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000017317745 963185591 /nfs/dbraw/zinc/18/55/91/963185591.db2.gz RSLHHCRQZVSJMG-UHFFFAOYSA-N 0 3 400.544 3.716 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCN(C3CCCC3)CC2)c1C#N ZINC000027119821 964789610 /nfs/dbraw/zinc/78/96/10/964789610.db2.gz SBIUIFIIPJHTTR-UHFFFAOYSA-N 0 3 423.536 3.604 20 30 HHEDHN CC(C)Oc1ccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)N(C)C)cc1 ZINC000553670965 1013536291 /nfs/dbraw/zinc/53/62/91/1013536291.db2.gz PGAOHNFNSKRQJT-JOCHJYFZSA-N 0 3 411.571 3.998 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1c(C)cc(C)nc1OC ZINC000553716786 1013567846 /nfs/dbraw/zinc/56/78/46/1013567846.db2.gz FOOBAWIONGYEFG-UHFFFAOYSA-N 0 3 401.580 3.805 20 30 HHEDHN CCN1CCN(c2ccc(N[C@H](C)C(=O)N(CCC#N)c3ccccc3)c(C)c2)CC1 ZINC000056170269 966245145 /nfs/dbraw/zinc/24/51/45/966245145.db2.gz QSNBNQMIDWZCDX-OAQYLSRUSA-N 0 3 419.573 3.884 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(F)c(F)cc2Br)CC1 ZINC000553866220 1013665452 /nfs/dbraw/zinc/66/54/52/1013665452.db2.gz AGBXYLZQOFACIK-UHFFFAOYSA-N 0 3 402.283 3.567 20 30 HHEDHN CCOc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000062410865 966669446 /nfs/dbraw/zinc/66/94/46/966669446.db2.gz RAOCWKFEZMFCQA-UHFFFAOYSA-N 0 3 402.445 3.831 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCc3cc(Br)cc(C)c3C2)CC1 ZINC000538133879 1013695975 /nfs/dbraw/zinc/69/59/75/1013695975.db2.gz JJGLYLHWLXARPG-UHFFFAOYSA-N 0 3 406.368 3.866 20 30 HHEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1noc(Cc2ccccc2)n1 ZINC000542841926 1013702691 /nfs/dbraw/zinc/70/26/91/1013702691.db2.gz GIUQRFCGWNGDML-SFHVURJKSA-N 0 3 401.514 3.847 20 30 HHEDHN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538159169 1013720787 /nfs/dbraw/zinc/72/07/87/1013720787.db2.gz MJSMMGWGAQEMDD-LSDHHAIUSA-N 0 3 405.527 3.972 20 30 HHEDHN Cc1ccccc1CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000045684781 967533475 /nfs/dbraw/zinc/53/34/75/967533475.db2.gz IFVRVULRSXKYBL-UHFFFAOYSA-N 0 3 408.571 3.563 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000047011750 968031025 /nfs/dbraw/zinc/03/10/25/968031025.db2.gz SRUOFRGVEBVFEK-UHFFFAOYSA-N 0 3 404.539 3.815 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000047283499 968121122 /nfs/dbraw/zinc/12/11/22/968121122.db2.gz FJFINSTZVZCZMF-MRXNPFEDSA-N 0 3 406.530 3.667 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000047283499 968121123 /nfs/dbraw/zinc/12/11/23/968121123.db2.gz FJFINSTZVZCZMF-MRXNPFEDSA-N 0 3 406.530 3.667 20 30 HHEDHN C=CCOc1cccnc1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000538254226 1013797062 /nfs/dbraw/zinc/79/70/62/1013797062.db2.gz IVXKGZCPQKXZCT-UHFFFAOYSA-N 0 3 415.921 3.573 20 30 HHEDHN C=CCC[C@@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000538259798 1013801678 /nfs/dbraw/zinc/80/16/78/1013801678.db2.gz PBRUTKVBDOQKCP-LJQANCHMSA-N 0 3 409.486 3.793 20 30 HHEDHN C=CCC[C@@H](NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000538261595 1013803400 /nfs/dbraw/zinc/80/34/00/1013803400.db2.gz UYXCYGLWTBRNFV-HSZRJFAPSA-N 0 3 405.542 3.836 20 30 HHEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065866014 968688768 /nfs/dbraw/zinc/68/87/68/968688768.db2.gz UOEXDFXGKLXRMI-JOCHJYFZSA-N 0 3 409.505 3.585 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000065867495 968689605 /nfs/dbraw/zinc/68/96/05/968689605.db2.gz SKAHAUMNDRNTLS-QFIPXVFZSA-N 0 3 420.532 3.648 20 30 HHEDHN CCn1c2ccccc2nc1SCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931270 968721889 /nfs/dbraw/zinc/72/18/89/968721889.db2.gz SJIRKKLITWZFFR-UHFFFAOYSA-N 0 3 421.570 3.610 20 30 HHEDHN CN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000110125455 969626853 /nfs/dbraw/zinc/62/68/53/969626853.db2.gz ZAOUFXDIDWPRNG-OAQYLSRUSA-N 0 3 401.432 3.971 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000195660520 969938905 /nfs/dbraw/zinc/93/89/05/969938905.db2.gz TVBMOPYQHZJCIY-RPWUZVMVSA-N 0 3 420.557 3.799 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000195702105 969968632 /nfs/dbraw/zinc/96/86/32/969968632.db2.gz PFKKRRWWNUCHLB-HSZRJFAPSA-N 0 3 422.529 3.712 20 30 HHEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000138848685 970012661 /nfs/dbraw/zinc/01/26/61/970012661.db2.gz KLUOBJUXBPVUOP-ZDUSSCGKSA-N 0 3 400.225 3.535 20 30 HHEDHN Cc1sc2ncnc(SCCC(=O)C(C#N)C(=O)Nc3ccccn3)c2c1C ZINC000138862467 970013508 /nfs/dbraw/zinc/01/35/08/970013508.db2.gz YIRQQOHGCWFIJY-CYBMUJFWSA-N 0 3 411.512 3.533 20 30 HHEDHN N#Cc1ccc(N2CCC(NCc3csc(-c4ccc5c(c4)OCO5)n3)CC2)nc1 ZINC000237856746 970383505 /nfs/dbraw/zinc/38/35/05/970383505.db2.gz LFOQIGOPQVYJGD-UHFFFAOYSA-N 0 3 419.510 3.564 20 30 HHEDHN Cc1noc([C@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)C2)n1 ZINC000250901879 970540952 /nfs/dbraw/zinc/54/09/52/970540952.db2.gz OIJSRYDWLOEWDD-ZFWWWQNUSA-N 0 3 413.547 3.644 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCC[C@H](C)C1 ZINC000425917999 974030091 /nfs/dbraw/zinc/03/00/91/974030091.db2.gz HNSWXVVDEUIAMH-ROUUACIJSA-N 0 3 420.513 3.526 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)c1 ZINC000427508252 975152316 /nfs/dbraw/zinc/15/23/16/975152316.db2.gz ZJRWJEKQZRCTJK-VWLOTQADSA-N 0 3 421.541 3.751 20 30 HHEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000428000568 975381226 /nfs/dbraw/zinc/38/12/26/975381226.db2.gz KWXKZCDSORQUOC-GOSISDBHSA-N 0 3 404.514 3.627 20 30 HHEDHN N#Cc1ccc(O[C@@H]2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)C2)nc1 ZINC000428786593 976061763 /nfs/dbraw/zinc/06/17/63/976061763.db2.gz OBJCTZPMIYHXDX-OAHLLOKOSA-N 0 3 405.285 3.742 20 30 HHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429079194 976364389 /nfs/dbraw/zinc/36/43/89/976364389.db2.gz LFGJPPHWWLPZFD-LJQANCHMSA-N 0 3 401.514 3.714 20 30 HHEDHN CC1(C)Cc2ccc(Br)cc2[C@H]1NCC(=O)NCc1cccc(C#N)c1 ZINC000429278419 976562825 /nfs/dbraw/zinc/56/28/25/976562825.db2.gz QUNQXPQSVIFXDD-HXUWFJFHSA-N 0 3 412.331 3.850 20 30 HHEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)nc1 ZINC000430186261 977377992 /nfs/dbraw/zinc/37/79/92/977377992.db2.gz MMIJXQWJAZXJEY-HSZRJFAPSA-N 0 3 422.492 3.854 20 30 HHEDHN N#CCSc1cccc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000430769776 977746020 /nfs/dbraw/zinc/74/60/20/977746020.db2.gz YDLDWZYBVZPLHT-UHFFFAOYSA-N 0 3 422.598 3.630 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431704486 978447701 /nfs/dbraw/zinc/44/77/01/978447701.db2.gz XXUOHYQIOBETKJ-PMOQBDJRSA-N 0 3 403.526 3.711 20 30 HHEDHN Cc1ccccc1CN1CCN(C(=O)CN[C@H](CCCC#N)c2ccccc2)CC1 ZINC000433013271 979041867 /nfs/dbraw/zinc/04/18/67/979041867.db2.gz WVPWJVILNHSOTJ-XMMPIXPASA-N 0 3 404.558 3.664 20 30 HHEDHN N#CCCC[C@@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000433022193 979044731 /nfs/dbraw/zinc/04/47/31/979044731.db2.gz JGQREPSOCQHMNH-HSZRJFAPSA-N 0 3 418.541 3.888 20 30 HHEDHN N#CCCC[C@@H](NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000433025511 979046086 /nfs/dbraw/zinc/04/60/86/979046086.db2.gz LJJCHEUBWBQAJO-HSZRJFAPSA-N 0 3 424.589 3.652 20 30 HHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433320324 979234756 /nfs/dbraw/zinc/23/47/56/979234756.db2.gz RTTDDVKYOOHNCO-WRWLIDTKSA-N 0 3 406.368 3.756 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc(F)ccc1Br ZINC000433770317 979561363 /nfs/dbraw/zinc/56/13/63/979561363.db2.gz DKVHDEIHUDODIF-UHFFFAOYSA-N 0 3 418.310 3.593 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000434784725 980397772 /nfs/dbraw/zinc/39/77/72/980397772.db2.gz DLJRFEWWWGVKFN-KDURUIRLSA-N 0 3 407.514 3.970 20 30 HHEDHN Cc1cnccc1OC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434993443 980555499 /nfs/dbraw/zinc/55/54/99/980555499.db2.gz ZEQODGLCMPMRJQ-UHFFFAOYSA-N 0 3 402.502 3.606 20 30 HHEDHN CC(C)Oc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1C#N ZINC000435547568 980934760 /nfs/dbraw/zinc/93/47/60/980934760.db2.gz HFXIDKJVTUXISO-UHFFFAOYSA-N 0 3 405.502 3.813 20 30 HHEDHN C=CCC[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000435760655 981019905 /nfs/dbraw/zinc/01/99/05/981019905.db2.gz LOOMVMIRNRRMKE-SGNDLWITSA-N 0 3 407.558 3.876 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000437417422 982058978 /nfs/dbraw/zinc/05/89/78/982058978.db2.gz ZWBFCSUOYQZHQU-AUSIDOKSSA-N 0 3 415.578 3.652 20 30 HHEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)NCC2(CC#N)CC2)CC1 ZINC000460752848 982510459 /nfs/dbraw/zinc/51/04/59/982510459.db2.gz GNNVWSDLOXFYMR-UHFFFAOYSA-N 0 3 419.367 3.749 20 30 HHEDHN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460800409 982552536 /nfs/dbraw/zinc/55/25/36/982552536.db2.gz DOKOYJLOKGEFIG-FDFHNCONSA-N 0 3 407.562 3.772 20 30 HHEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)NCC(C)(C)C#N)CC1 ZINC000460880692 982620138 /nfs/dbraw/zinc/62/01/38/982620138.db2.gz ILMQGTXVRMTRPM-UHFFFAOYSA-N 0 3 407.356 3.605 20 30 HHEDHN Cc1oc(NC(=O)[C@H](C)N2CCN(C3CCC(C(C)C)CC3)CC2)c(C#N)c1C ZINC000438542248 982880980 /nfs/dbraw/zinc/88/09/80/982880980.db2.gz TXNREOQECFDJGW-KKXNLOMOSA-N 0 3 400.567 3.928 20 30 HHEDHN C[C@H]1CN(CC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000438643200 982961369 /nfs/dbraw/zinc/96/13/69/982961369.db2.gz DPTDKUUFOONMKJ-GJZGRUSLSA-N 0 3 424.467 3.930 20 30 HHEDHN N#Cc1ccc(CN2CCCN(c3nnc(C4CC4)n3Cc3cccs3)CC2)cc1 ZINC000461503263 983153378 /nfs/dbraw/zinc/15/33/78/983153378.db2.gz QCRSLJMLISBPCJ-UHFFFAOYSA-N 0 3 418.570 3.849 20 30 HHEDHN CCCc1c(NC(=O)NCCN(C)Cc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000439669815 983493684 /nfs/dbraw/zinc/49/36/84/983493684.db2.gz XKGHWRAIUQSVHM-UHFFFAOYSA-N 0 3 416.529 3.950 20 30 HHEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439731731 983518329 /nfs/dbraw/zinc/51/83/29/983518329.db2.gz KPVJLFFORJVELH-MBSDFSHPSA-N 0 3 406.530 3.698 20 30 HHEDHN CCN1CCN(C[C@H](C)CNc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440647193 983836895 /nfs/dbraw/zinc/83/68/95/983836895.db2.gz HFZXSPMENRRARL-OAHLLOKOSA-N 0 3 416.367 3.554 20 30 HHEDHN C[C@@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000440987155 984012946 /nfs/dbraw/zinc/01/29/46/984012946.db2.gz WKYSPPLCBMMKMH-LJQANCHMSA-N 0 3 419.573 3.611 20 30 HHEDHN COc1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc(NC(C)=O)c1OC ZINC000442863586 985250865 /nfs/dbraw/zinc/25/08/65/985250865.db2.gz CYWDZKCWZOMONT-OAHLLOKOSA-N 0 3 422.466 3.671 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cc(I)ccc2Cl)CC1 ZINC000467948960 985585939 /nfs/dbraw/zinc/58/59/39/985585939.db2.gz LKWYDTXMGJLACD-UHFFFAOYSA-N 0 3 419.694 3.717 20 30 HHEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000468166168 985844599 /nfs/dbraw/zinc/84/45/99/985844599.db2.gz AAJUTBXPGFVMHV-KRWDZBQOSA-N 0 3 410.566 3.653 20 30 HHEDHN CC(C)n1cc(Br)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000463118068 986083127 /nfs/dbraw/zinc/08/31/27/986083127.db2.gz JKJFKSILBUPLDR-UHFFFAOYSA-N 0 3 417.351 3.907 20 30 HHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(Br)cc1OCCCO ZINC000463363129 986329433 /nfs/dbraw/zinc/32/94/33/986329433.db2.gz WOSMWFYPVFMDNI-HNNXBMFYSA-N 0 3 419.319 3.812 20 30 HHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000468648472 986361978 /nfs/dbraw/zinc/36/19/78/986361978.db2.gz PMNFZRYCQXMFJK-UHFFFAOYSA-N 0 3 404.558 3.755 20 30 HHEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000463566438 986543246 /nfs/dbraw/zinc/54/32/46/986543246.db2.gz BYZICOIQUYKHRL-RTBURBONSA-N 0 3 416.562 3.612 20 30 HHEDHN N#Cc1cccc(OCCCCC(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1 ZINC000444460636 986642937 /nfs/dbraw/zinc/64/29/37/986642937.db2.gz LFTSRFRWVFJCEF-UHFFFAOYSA-N 0 3 407.514 3.703 20 30 HHEDHN C[C@H](N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)NC1(C#N)CCC1 ZINC000468952693 986656923 /nfs/dbraw/zinc/65/69/23/986656923.db2.gz KZVMTPDAIBPYKO-HOTGVXAUSA-N 0 3 408.477 3.680 20 30 HHEDHN C[C@@]1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCCN1Cc1ccccc1 ZINC000469180449 986905442 /nfs/dbraw/zinc/90/54/42/986905442.db2.gz QJWOBJNQHMMJOR-DEOSSOPVSA-N 0 3 400.482 3.998 20 30 HHEDHN CCOC(=O)c1nnc(C2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)[n-]1 ZINC000444812782 986967041 /nfs/dbraw/zinc/96/70/41/986967041.db2.gz OHSYXPJUUHQSIJ-UHFFFAOYSA-N 0 3 415.497 3.900 20 30 HHEDHN CCOC(=O)c1n[n-]c(C2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)n1 ZINC000444812782 986967049 /nfs/dbraw/zinc/96/70/49/986967049.db2.gz OHSYXPJUUHQSIJ-UHFFFAOYSA-N 0 3 415.497 3.900 20 30 HHEDHN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469338085 987044522 /nfs/dbraw/zinc/04/45/22/987044522.db2.gz NAVBPZPJSGIUJX-AUSIDOKSSA-N 0 3 417.557 3.987 20 30 HHEDHN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000464965756 989266051 /nfs/dbraw/zinc/26/60/51/989266051.db2.gz VMODMIGNKJTQFA-NRFANRHFSA-N 0 3 420.557 3.579 20 30 HHEDHN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000464965756 989266056 /nfs/dbraw/zinc/26/60/56/989266056.db2.gz VMODMIGNKJTQFA-NRFANRHFSA-N 0 3 420.557 3.579 20 30 HHEDHN CCN1CCN(c2cccc(NC(=O)CCCOc3ccc(C#N)cc3OC)c2)CC1 ZINC000471631854 989840001 /nfs/dbraw/zinc/84/00/01/989840001.db2.gz CJXUFSOBJUBDSE-UHFFFAOYSA-N 0 3 422.529 3.506 20 30 HHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000465664590 990050327 /nfs/dbraw/zinc/05/03/27/990050327.db2.gz OSPHYXMZVZZQCU-RTWAWAEBSA-N 0 3 412.603 3.829 20 30 HHEDHN CCc1c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000466690326 992003939 /nfs/dbraw/zinc/00/39/39/992003939.db2.gz JTQOGARNUJKTHB-UHFFFAOYSA-N 0 3 416.529 3.902 20 30 HHEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000472893687 993819863 /nfs/dbraw/zinc/81/98/63/993819863.db2.gz CHFFBRKUNMDNTK-WOJBJXKFSA-N 0 3 419.573 3.611 20 30 HHEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000481217048 994049115 /nfs/dbraw/zinc/04/91/15/994049115.db2.gz CYQLCQCBWNIRSH-UHFFFAOYSA-N 0 3 409.555 3.946 20 30 HHEDHN C=C(C)[C@H](N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000481617678 994476950 /nfs/dbraw/zinc/47/69/50/994476950.db2.gz WFMQIUDVTHNFMG-WGGBDISSSA-N 0 3 413.512 3.951 20 30 HHEDHN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000481668979 994529547 /nfs/dbraw/zinc/52/95/47/994529547.db2.gz JOIADPZCXCUGLQ-LJQANCHMSA-N 0 3 406.530 3.803 20 30 HHEDHN CCN1CCN(c2cccc(NC(=O)NCCSCc3ccccc3C#N)c2)CC1 ZINC000473819133 994746951 /nfs/dbraw/zinc/74/69/51/994746951.db2.gz NBDWWWMJFRJVPB-UHFFFAOYSA-N 0 3 423.586 3.755 20 30 HHEDHN CCNC(=O)COc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000481917509 994789788 /nfs/dbraw/zinc/78/97/88/994789788.db2.gz HRZUAKRWOWBUNW-NRFANRHFSA-N 0 3 407.514 3.639 20 30 HHEDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482495370 995505711 /nfs/dbraw/zinc/50/57/11/995505711.db2.gz IJXOHDWYAJJCHI-GMAHTHKFSA-N 0 3 408.498 3.680 20 30 HHEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000482695621 995687062 /nfs/dbraw/zinc/68/70/62/995687062.db2.gz SZPVUXVUMBGGBA-GCJKJVERSA-N 0 3 402.441 3.600 20 30 HHEDHN CC(C)OCCN1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000474879524 995773834 /nfs/dbraw/zinc/77/38/34/995773834.db2.gz SMFRUYBQVKFVBV-UHFFFAOYSA-N 0 3 421.541 3.756 20 30 HHEDHN CC(C)OCCN1CCC(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000474892656 995783267 /nfs/dbraw/zinc/78/32/67/995783267.db2.gz UMOSPBWWWLRBNN-UHFFFAOYSA-N 0 3 406.530 3.921 20 30 HHEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000482924725 995854071 /nfs/dbraw/zinc/85/40/71/995854071.db2.gz DZDKUSZZDCLETD-UHFFFAOYSA-N 0 3 410.562 3.983 20 30 HHEDHN COc1cc(CN2CCC(O[C@@H]3CCOC3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000483036979 995934157 /nfs/dbraw/zinc/93/41/57/995934157.db2.gz PUHZSLISGIRIIF-HSZRJFAPSA-N 0 3 422.525 3.916 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(N(C)C2CC2)n1 ZINC000475728275 996328372 /nfs/dbraw/zinc/32/83/72/996328372.db2.gz AEDJCMCCOLSUEV-UHFFFAOYSA-N 0 3 418.636 3.840 20 30 HHEDHN C=CCN(CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)CC1CCCCC1 ZINC000484665672 997004198 /nfs/dbraw/zinc/00/41/98/997004198.db2.gz VVVKXYRDABFQBP-FQEVSTJZSA-N 0 3 403.611 3.552 20 30 HHEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000485293176 997696005 /nfs/dbraw/zinc/69/60/05/997696005.db2.gz XSFKILGIFAHJNY-KSFYIVLOSA-N 0 3 402.498 3.753 20 30 HHEDHN C=CCSc1ccccc1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000486231354 998664397 /nfs/dbraw/zinc/66/43/97/998664397.db2.gz VCBOQQVKHYXYKR-UHFFFAOYSA-N 0 3 423.582 3.720 20 30 HHEDHN CC(C)OCCN1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000479039764 999261322 /nfs/dbraw/zinc/26/13/22/999261322.db2.gz AWZRFRBURKGXQS-UHFFFAOYSA-N 0 3 407.514 3.970 20 30 HHEDHN CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488466080 999496056 /nfs/dbraw/zinc/49/60/56/999496056.db2.gz PCJRELOWFCUXAL-FDDCHVKYSA-N 0 3 418.541 3.789 20 30 HHEDHN COCCN(Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)[C@H]1CCO[C@H]1C ZINC000489409265 999760979 /nfs/dbraw/zinc/76/09/79/999760979.db2.gz GLPAABLSDZLSTN-AVRDEDQJSA-N 0 3 410.514 3.772 20 30 HHEDHN CC[C@H](C)[C@H](NCc1cc(C#N)n(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000480394709 999788641 /nfs/dbraw/zinc/78/86/41/999788641.db2.gz OWSWZNPUPFKPLX-CYFREDJKSA-N 0 3 406.574 3.882 20 30 HHEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000489778063 999836443 /nfs/dbraw/zinc/83/64/43/999836443.db2.gz KVXMDRJKCKMFJA-UHFFFAOYSA-N 0 3 420.557 3.635 20 30 HHEDHN COc1cc(N[C@H]2CCCN(CCOc3ccc(C#N)cc3OC)C2)cc(OC)c1 ZINC000490019700 999878801 /nfs/dbraw/zinc/87/88/01/999878801.db2.gz PNTKIYDAGXSVPB-SFHVURJKSA-N 0 3 411.502 3.539 20 30 HHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3cc(-n4cnnn4)ccc3C)n2)cc1 ZINC000505466356 1000793584 /nfs/dbraw/zinc/79/35/84/1000793584.db2.gz GGKGIPKDQCDYPD-KRWDZBQOSA-N 0 3 415.482 3.649 20 30 HHEDHN C=CCOc1ccc(CNC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000505750893 1001006030 /nfs/dbraw/zinc/00/60/30/1001006030.db2.gz NSQLAQWHYSFCEM-HSZRJFAPSA-N 0 3 409.530 3.896 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000496397355 1001170678 /nfs/dbraw/zinc/17/06/78/1001170678.db2.gz WOJMUAGIUNAMPB-UHFFFAOYSA-N 0 3 422.476 3.812 20 30 HHEDHN CN1C[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H](c2ccccc2)C1 ZINC000497415499 1001350407 /nfs/dbraw/zinc/35/04/07/1001350407.db2.gz HILFWNQMAQCSOJ-DQEYMECFSA-N 0 3 411.505 3.965 20 30 HHEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000507419394 1002060584 /nfs/dbraw/zinc/06/05/84/1002060584.db2.gz HOCDBNCFFQJZTD-VFNWGFHPSA-N 0 3 402.498 3.634 20 30 HHEDHN CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507426618 1002066299 /nfs/dbraw/zinc/06/62/99/1002066299.db2.gz HMXRADZRLBDFHX-HTAPYJJXSA-N 0 3 404.514 3.623 20 30 HHEDHN CCCN(CC(=O)Nc1cccc(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507599896 1002206692 /nfs/dbraw/zinc/20/66/92/1002206692.db2.gz MOCFQBPOAQWTHV-UHFFFAOYSA-N 0 3 404.514 3.514 20 30 HHEDHN Cc1cn(-c2ccccc2Cl)nc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000499725352 1003072838 /nfs/dbraw/zinc/07/28/38/1003072838.db2.gz LOCVQWYAWIHYDH-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000508669773 1003109570 /nfs/dbraw/zinc/10/95/70/1003109570.db2.gz JPEDKVKDJJHSDN-BVKOHWRASA-N 0 3 410.562 3.681 20 30 HHEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000508669774 1003109593 /nfs/dbraw/zinc/10/95/93/1003109593.db2.gz JPEDKVKDJJHSDN-HKKHYUGTSA-N 0 3 410.562 3.681 20 30 HHEDHN C=CCN1CC[C@H](N(C)CCCC(=O)Nc2c(C)cc(Br)cc2C)C1=O ZINC000500022369 1003349117 /nfs/dbraw/zinc/34/91/17/1003349117.db2.gz ATLQBAWWNAECBZ-KRWDZBQOSA-N 0 3 422.367 3.503 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccccc2)nc1 ZINC000508939367 1003389462 /nfs/dbraw/zinc/38/94/62/1003389462.db2.gz AOMYSBVGOXJGPO-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC000508997425 1003468842 /nfs/dbraw/zinc/46/88/42/1003468842.db2.gz JXPBHSJYNQSADQ-UHFFFAOYSA-N 0 3 403.477 3.797 20 30 HHEDHN N#Cc1ccc(OC2CCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC2)cc1 ZINC000509348370 1003721094 /nfs/dbraw/zinc/72/10/94/1003721094.db2.gz OELNENVROIQZPG-DEOSSOPVSA-N 0 3 418.541 3.948 20 30 HHEDHN N#Cc1ccc(OC2CCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC2)cc1 ZINC000509375171 1003802368 /nfs/dbraw/zinc/80/23/68/1003802368.db2.gz XBAQIHBUWODNQC-DEOSSOPVSA-N 0 3 418.541 3.948 20 30 HHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000512511795 1004352346 /nfs/dbraw/zinc/35/23/46/1004352346.db2.gz LWRLFNIZESDBTJ-URXFXBBRSA-N 0 3 423.605 3.621 20 30 HHEDHN COc1cc(C#N)ccc1OCCN[C@H]1CCOc2c(Br)cccc21 ZINC000501520781 1004486074 /nfs/dbraw/zinc/48/60/74/1004486074.db2.gz WZMIILXCESLHOB-INIZCTEOSA-N 0 3 403.276 3.822 20 30 HHEDHN Cc1nc(COc2ccc(CN3CCC(Oc4cccc(C#N)c4)CC3)cc2)no1 ZINC000510510054 1004633362 /nfs/dbraw/zinc/63/33/62/1004633362.db2.gz ZRYMMXBNJQFONG-UHFFFAOYSA-N 0 3 404.470 3.872 20 30 HHEDHN CN1CCN(Cc2ccc(CNC(=O)c3ccccc3-c3ccccc3C#N)cc2)CC1 ZINC000513231963 1004872351 /nfs/dbraw/zinc/87/23/51/1004872351.db2.gz YCSOMESZVIFIKQ-UHFFFAOYSA-N 0 3 424.548 3.903 20 30 HHEDHN N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC2)c1 ZINC000511235600 1005085525 /nfs/dbraw/zinc/08/55/25/1005085525.db2.gz OFXBUWFFENZNAT-JOCHJYFZSA-N 0 3 418.541 3.776 20 30 HHEDHN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000513696200 1005085690 /nfs/dbraw/zinc/08/56/90/1005085690.db2.gz ULFYPTQTZJBLGS-YJBOKZPZSA-N 0 3 422.510 3.616 20 30 HHEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000511255293 1005094522 /nfs/dbraw/zinc/09/45/22/1005094522.db2.gz WNYIJQNWPJDZOO-AWEZNQCLSA-N 0 3 410.331 3.936 20 30 HHEDHN COc1ccc(NC(=O)CCN2CC=C(c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000502510762 1005097252 /nfs/dbraw/zinc/09/72/52/1005097252.db2.gz LUBSHRXPPULOAR-UHFFFAOYSA-N 0 3 406.442 3.593 20 30 HHEDHN N#Cc1ccc(NC(=O)CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1Cl ZINC000502549194 1005113851 /nfs/dbraw/zinc/11/38/51/1005113851.db2.gz ZWBRTNNGKQYSRT-FQEVSTJZSA-N 0 3 404.297 3.795 20 30 HHEDHN C[C@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H](c1ccccc1)N(C)C ZINC000502677382 1005175409 /nfs/dbraw/zinc/17/54/09/1005175409.db2.gz FQIXRAIPZBZURA-SQIAZXFVSA-N 0 3 421.545 3.634 20 30 HHEDHN CCN(CC)[C@@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccsc1 ZINC000502961545 1005293688 /nfs/dbraw/zinc/29/36/88/1005293688.db2.gz RXYOIYQPIZYAPF-NRFANRHFSA-N 0 3 407.543 3.927 20 30 HHEDHN Cc1cc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)nn1-c1cccc(C#N)c1 ZINC000503087413 1005344128 /nfs/dbraw/zinc/34/41/28/1005344128.db2.gz KEWNWCPGCOJDHO-UHFFFAOYSA-N 0 3 413.525 3.789 20 30 HHEDHN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000514976916 1006234196 /nfs/dbraw/zinc/23/41/96/1006234196.db2.gz KXYRJMVMPMUQHR-QFIPXVFZSA-N 0 3 418.585 3.892 20 30 HHEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(Br)c1 ZINC000534352915 1006314363 /nfs/dbraw/zinc/31/43/63/1006314363.db2.gz FYZCJXNOGGKUSC-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000534376811 1006345462 /nfs/dbraw/zinc/34/54/62/1006345462.db2.gz LGZKAHXESFSTSM-UHFFFAOYSA-N 0 3 406.530 3.779 20 30 HHEDHN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000538390564 1006660226 /nfs/dbraw/zinc/66/02/26/1006660226.db2.gz SDQSSHKYAPIWPT-DCEJEGHYSA-N 0 3 411.546 3.818 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000532186050 1006705122 /nfs/dbraw/zinc/70/51/22/1006705122.db2.gz VOQJPWUITACBKO-UHFFFAOYSA-N 0 3 413.591 3.605 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1-c1cccc(Cl)c1 ZINC000538577081 1006843455 /nfs/dbraw/zinc/84/34/55/1006843455.db2.gz KNWZSTRJJDPOSI-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN CC(C)Oc1ccc([C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)N(C)C)cc1 ZINC000516107339 1006886782 /nfs/dbraw/zinc/88/67/82/1006886782.db2.gz XWRYZCWOOCOATF-QFIPXVFZSA-N 0 3 409.505 3.935 20 30 HHEDHN N#CCCN(C(=O)CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccccc1 ZINC000538664834 1006944900 /nfs/dbraw/zinc/94/49/00/1006944900.db2.gz BFWWDPBODRIVOI-FQEVSTJZSA-N 0 3 420.561 3.979 20 30 HHEDHN N#CCCN(C(=O)CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccccc1 ZINC000538664838 1006945476 /nfs/dbraw/zinc/94/54/76/1006945476.db2.gz BFWWDPBODRIVOI-HXUWFJFHSA-N 0 3 420.561 3.979 20 30 HHEDHN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN(C1CC1)C1CCCC1)CCCC2 ZINC000532563283 1006995011 /nfs/dbraw/zinc/99/50/11/1006995011.db2.gz XQCFAHQDEYUAFC-IBGZPJMESA-N 0 3 410.562 3.763 20 30 HHEDHN COC1CCC(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000532578766 1007011330 /nfs/dbraw/zinc/01/13/30/1007011330.db2.gz WVGBNYRTBZXYTH-UHFFFAOYSA-N 0 3 408.546 3.853 20 30 HHEDHN COc1ccc(CNc2ccc(CN3CCN(C)CC3)cc2)cc1OCCCC#N ZINC000538823193 1007096970 /nfs/dbraw/zinc/09/69/70/1007096970.db2.gz WSFBIKLQSRVCPN-UHFFFAOYSA-N 0 3 408.546 3.737 20 30 HHEDHN CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N1CCCCC1 ZINC000516735979 1007265330 /nfs/dbraw/zinc/26/53/30/1007265330.db2.gz GTICXPJBAOURDB-UHFFFAOYSA-N 0 3 420.513 3.670 20 30 HHEDHN N#Cc1ccc(CNC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c(F)c1 ZINC000532990285 1007362722 /nfs/dbraw/zinc/36/27/22/1007362722.db2.gz HAJTXYWNYWXHTE-HXUWFJFHSA-N 0 3 407.411 3.879 20 30 HHEDHN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000517002566 1007370038 /nfs/dbraw/zinc/37/00/38/1007370038.db2.gz PMVGNUFEKYHJDE-KKSFZXQISA-N 0 3 403.448 3.956 20 30 HHEDHN N#Cc1ccc(OCCN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1 ZINC000533071365 1007433591 /nfs/dbraw/zinc/43/35/91/1007433591.db2.gz XSIQBUQYSASJAE-UHFFFAOYSA-N 0 3 403.526 3.840 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000535397612 1007464140 /nfs/dbraw/zinc/46/41/40/1007464140.db2.gz FGKVLVMKQKNNKI-RBBKRZOGSA-N 0 3 409.530 3.677 20 30 HHEDHN COc1ccc(C[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c2ccccc2)cc1OC ZINC000539258900 1007553212 /nfs/dbraw/zinc/55/32/12/1007553212.db2.gz JBSPZJRDVGBKRM-HYBUGGRVSA-N 0 3 409.530 3.632 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000517326982 1007568966 /nfs/dbraw/zinc/56/89/66/1007568966.db2.gz BPEDVWXUJHENJS-UHFFFAOYSA-N 0 3 405.564 3.565 20 30 HHEDHN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000539289112 1007586077 /nfs/dbraw/zinc/58/60/77/1007586077.db2.gz QHMRPDXVJWQJCV-GJZGRUSLSA-N 0 3 405.527 3.972 20 30 HHEDHN C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(-n2cccn2)c1 ZINC000539289111 1007586314 /nfs/dbraw/zinc/58/63/14/1007586314.db2.gz QHMRPDXVJWQJCV-CABCVRRESA-N 0 3 405.527 3.972 20 30 HHEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000533346830 1007654421 /nfs/dbraw/zinc/65/44/21/1007654421.db2.gz VOHYFCWYJDZGRK-HNNXBMFYSA-N 0 3 417.575 3.881 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(OC)c(Br)c(OC)c2)CC1 ZINC000539427846 1007733696 /nfs/dbraw/zinc/73/36/96/1007733696.db2.gz QGVPRHNJUVBFGU-UHFFFAOYSA-N 0 3 412.328 3.628 20 30 HHEDHN COCc1nnc(-c2cccc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)c2)o1 ZINC000539586132 1007904626 /nfs/dbraw/zinc/90/46/26/1007904626.db2.gz ZYTCIEQAFZVYCG-AWEZNQCLSA-N 0 3 402.332 3.787 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000517998312 1008093667 /nfs/dbraw/zinc/09/36/67/1008093667.db2.gz ZNVCKBYOZJBQMD-UHFFFAOYSA-N 0 3 419.879 3.505 20 30 HHEDHN N#Cc1cc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000539787398 1008095697 /nfs/dbraw/zinc/09/56/97/1008095697.db2.gz ZGODVICZZFHFHF-UHFFFAOYSA-N 0 3 410.949 3.539 20 30 HHEDHN COc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1OCCCC#N ZINC000518285123 1008239079 /nfs/dbraw/zinc/23/90/79/1008239079.db2.gz IFUPJRHWUGYLPN-QGZVFWFLSA-N 0 3 413.905 3.926 20 30 HHEDHN C[C@@H](N[C@H](C)c1cccc(-n2cccn2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000540387156 1008411236 /nfs/dbraw/zinc/41/12/36/1008411236.db2.gz PALCBZVURGVFGX-QZTJIDSGSA-N 0 3 405.477 3.997 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)N3CCN(C4CCCCC4)CC3)n2)c(Cl)c1 ZINC000542957806 1008529274 /nfs/dbraw/zinc/52/92/74/1008529274.db2.gz UACFXVUQIFWTSQ-UHFFFAOYSA-N 0 3 412.925 3.880 20 30 HHEDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542961743 1008533823 /nfs/dbraw/zinc/53/38/23/1008533823.db2.gz MXLOGEKZWKJESI-UHFFFAOYSA-N 0 3 412.881 3.586 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000543350339 1008936060 /nfs/dbraw/zinc/93/60/60/1008936060.db2.gz RWVNDSXLWBRUEP-IBGZPJMESA-N 0 3 422.529 3.712 20 30 HHEDHN C[C@@H](NCc1cn(CCC#N)nc1-c1ccncc1)c1ccc2c(c1)CCC(=O)N2 ZINC000519844649 1009027462 /nfs/dbraw/zinc/02/74/62/1009027462.db2.gz GLLYVOVZHMCEAZ-MRXNPFEDSA-N 0 3 400.486 3.594 20 30 HHEDHN CC(C)N1CC[C@@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000549467391 1009059329 /nfs/dbraw/zinc/05/93/29/1009059329.db2.gz CMFFTRLRCQEFCG-ARBPTSGCSA-N 0 3 412.484 3.977 20 30 HHEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000546225164 1009251796 /nfs/dbraw/zinc/25/17/96/1009251796.db2.gz GHPWQQVDTOFPIZ-UGKGYDQZSA-N 0 3 408.521 3.502 20 30 HHEDHN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(CC(C)C)CC1 ZINC000549654721 1009281805 /nfs/dbraw/zinc/28/18/05/1009281805.db2.gz DJOWWTNSVRMIDZ-UHFFFAOYSA-N 0 3 415.607 3.933 20 30 HHEDHN C[C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)N(C)Cc1ccccc1 ZINC000543764770 1009335783 /nfs/dbraw/zinc/33/57/83/1009335783.db2.gz KJHKFUQWVPBSIT-MRXNPFEDSA-N 0 3 406.465 3.525 20 30 HHEDHN C=CCNC(=O)c1cccc(-c2noc(-c3ccc(CN4CCSCC4)cc3)n2)c1 ZINC000546362537 1009372595 /nfs/dbraw/zinc/37/25/95/1009372595.db2.gz RQMXOJPYFZDMQX-UHFFFAOYSA-N 0 3 420.538 3.868 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000543885196 1009460785 /nfs/dbraw/zinc/46/07/85/1009460785.db2.gz WPWMBHSRZPUESN-VQIMIIECSA-N 0 3 418.476 3.840 20 30 HHEDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC(C)C ZINC000546928293 1009887375 /nfs/dbraw/zinc/88/73/75/1009887375.db2.gz VSWWNUNONTZAQM-UHFFFAOYSA-N 0 3 410.518 3.950 20 30 HHEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H](c1cccs1)C1CC1 ZINC000544399307 1010019966 /nfs/dbraw/zinc/01/99/66/1010019966.db2.gz ADCGXYPFIRWYCW-FQEVSTJZSA-N 0 3 400.548 3.754 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1 ZINC000521573615 1010473379 /nfs/dbraw/zinc/47/33/79/1010473379.db2.gz JHXXWFBTKPVYHQ-UHFFFAOYSA-N 0 3 409.452 3.603 20 30 HHEDHN C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc2c(c1)CCCC2 ZINC000544898390 1010473690 /nfs/dbraw/zinc/47/36/90/1010473690.db2.gz NMYNABWGFXVHIH-AVRDEDQJSA-N 0 3 422.598 3.687 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 ZINC000521657174 1010529506 /nfs/dbraw/zinc/52/95/06/1010529506.db2.gz UUFZOZPIISZKRF-UHFFFAOYSA-N 0 3 409.486 3.766 20 30 HHEDHN COc1ccccc1[C@@H]1CCN(CC#CCN2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000551385200 1010553217 /nfs/dbraw/zinc/55/32/17/1010553217.db2.gz HVEAKYFUDLZNPL-FGZHOGPDSA-N 0 3 404.554 3.986 20 30 HHEDHN CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1Cc1ccccc1 ZINC000551404139 1010565403 /nfs/dbraw/zinc/56/54/03/1010565403.db2.gz UWWYOGYMHHWXAI-IBGZPJMESA-N 0 3 422.598 3.686 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000522277582 1010900449 /nfs/dbraw/zinc/90/04/49/1010900449.db2.gz PNJZBXADEWXJJJ-JOCHJYFZSA-N 0 3 408.571 3.755 20 30 HHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000540866070 1011543167 /nfs/dbraw/zinc/54/31/67/1011543167.db2.gz YBSNCTAOPSWTEZ-QGZVFWFLSA-N 0 3 406.515 3.613 20 30 HHEDHN COC(=O)C1CCN(C(=O)[C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541084367 1011725791 /nfs/dbraw/zinc/72/57/91/1011725791.db2.gz GWVMQEMYYJPJLA-ROUUACIJSA-N 0 3 419.525 3.676 20 30 HHEDHN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000536589321 1011752132 /nfs/dbraw/zinc/75/21/32/1011752132.db2.gz IDMNRMPOPOPESB-HTAPYJJXSA-N 0 3 412.509 3.547 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)n2)c(F)c1 ZINC000541133301 1011792056 /nfs/dbraw/zinc/79/20/56/1011792056.db2.gz YSHLQJWUUSABOR-SFHVURJKSA-N 0 3 421.451 3.873 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)CC1 ZINC000536928282 1012214430 /nfs/dbraw/zinc/21/44/30/1012214430.db2.gz MIOHXNTUOWQKCX-BEFAXECRSA-N 0 3 424.383 3.865 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000541493852 1012270648 /nfs/dbraw/zinc/27/06/48/1012270648.db2.gz YKJTZLWUFIILGK-JOCHJYFZSA-N 0 3 422.529 3.851 20 30 HHEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000537108808 1012479990 /nfs/dbraw/zinc/47/99/90/1012479990.db2.gz KMEHRGJFUDQJSH-ROUUACIJSA-N 0 3 423.536 3.517 20 30 HHEDHN CC(C)(C)N(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000537165517 1012568188 /nfs/dbraw/zinc/56/81/88/1012568188.db2.gz JBKXJKUGYTWXGQ-HXUWFJFHSA-N 0 3 410.587 3.758 20 30 HHEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000537225613 1012655232 /nfs/dbraw/zinc/65/52/32/1012655232.db2.gz VHULBYSPIBVLLA-MEBBXXQBSA-N 0 3 403.832 3.800 20 30 HHEDHN N#Cc1ccc(CN2CCC(Nc3cccc(OCC(=O)N4CCCC4)c3)CC2)cc1 ZINC000541902758 1012763133 /nfs/dbraw/zinc/76/31/33/1012763133.db2.gz AXRHKVJFFSKRKH-UHFFFAOYSA-N 0 3 418.541 3.636 20 30 HHEDHN C[C@H](NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000537307995 1012766425 /nfs/dbraw/zinc/76/64/25/1012766425.db2.gz UKYMJOOEIDYKAZ-IBGZPJMESA-N 0 3 411.571 3.971 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)NC[C@H](c3ccccc3)N3CCCC3)n2)c(F)c1 ZINC000542027006 1012922444 /nfs/dbraw/zinc/92/24/44/1012922444.db2.gz QKPIXMBSNLLLCM-OAQYLSRUSA-N 0 3 418.476 3.842 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)N(C)C)cc1 ZINC000542034541 1012933185 /nfs/dbraw/zinc/93/31/85/1012933185.db2.gz ICJQUZUJUXLQHH-FQEVSTJZSA-N 0 3 406.465 3.616 20 30 HHEDHN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000555255317 1073303947 /nfs/dbraw/zinc/30/39/47/1073303947.db2.gz CYTHVRKJFBXJOO-IEBWSBKVSA-N 0 3 401.530 3.910 20 30 HHEDHN COc1cc(Br)ccc1[C@@H](C)NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000555316278 1073329502 /nfs/dbraw/zinc/32/95/02/1073329502.db2.gz LOVOSCMOEOJZDZ-RHSMWYFYSA-N 0 3 419.319 3.614 20 30 HHEDHN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000588967157 1073363061 /nfs/dbraw/zinc/36/30/61/1073363061.db2.gz PYKMXAWPQADSMC-KGLIPLIRSA-N 0 3 411.449 3.528 20 30 HHEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000590232055 1073667028 /nfs/dbraw/zinc/66/70/28/1073667028.db2.gz OOUKOGSZKDRCOF-QGZVFWFLSA-N 0 3 424.570 3.589 20 30 HHEDHN CC[C@@](C)(CC(=O)OC)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000760903789 1074618863 /nfs/dbraw/zinc/61/88/63/1074618863.db2.gz MXDSIIIHEXDIOT-QFIPXVFZSA-N 0 3 402.539 3.742 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)CC1 ZINC000592076591 1074688273 /nfs/dbraw/zinc/68/82/73/1074688273.db2.gz LXTCQGXVPBJHRK-UHFFFAOYSA-N 0 3 403.523 3.940 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cc(Br)ccc2Br)CC1 ZINC000592526900 1074781412 /nfs/dbraw/zinc/78/14/12/1074781412.db2.gz VDXMZKFAHJEGAB-UHFFFAOYSA-N 0 3 417.145 3.984 20 30 HHEDHN N#CC(C(=O)CCc1nnc(C2CCCC2)o1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000761035886 1075224759 /nfs/dbraw/zinc/22/47/59/1075224759.db2.gz HQSNCKPNZFODGZ-ZDUSSCGKSA-N 0 3 404.829 3.800 20 30 HHEDHN Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nn2)cc1 ZINC001164721680 720339844 /nfs/dbraw/zinc/33/98/44/720339844.db2.gz CZHJSFWMTTWPSX-XWGVYQGASA-N 0 3 410.525 3.689 20 30 HHEDHN N#Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164880939 721178202 /nfs/dbraw/zinc/17/82/02/721178202.db2.gz XXYWYASVOJJIOJ-PMACEKPBSA-N 0 3 419.916 3.635 20 30 HHEDHN N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000301502473 970958939 /nfs/dbraw/zinc/95/89/39/970958939.db2.gz FMKXDRNAHXXKOL-GOSISDBHSA-N 0 3 424.451 3.539 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)C[C@H](C)O1 ZINC000301517298 970964497 /nfs/dbraw/zinc/96/44/97/970964497.db2.gz CFJMXBNMCXCJIG-CALCHBBNSA-N 0 3 423.517 3.730 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CC1 ZINC000303653462 971933003 /nfs/dbraw/zinc/93/30/03/971933003.db2.gz USQSKPNKNFAZCI-UHFFFAOYSA-N 0 3 423.479 3.749 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C(=O)OC)cc1 ZINC000052485600 964916249 /nfs/dbraw/zinc/91/62/49/964916249.db2.gz XMVXQXQMCUWIIR-UHFFFAOYSA-N 0 3 400.548 3.571 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)COc2ccc(C(F)(F)F)cn2)CC1 ZINC000542752225 1013660358 /nfs/dbraw/zinc/66/03/58/1013660358.db2.gz LAGUATRNFBWYAX-UHFFFAOYSA-N 0 3 414.472 3.598 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000043295463 966947180 /nfs/dbraw/zinc/94/71/80/966947180.db2.gz USWIXVXDURYQSK-DEOSSOPVSA-N 0 3 413.525 3.816 20 30 HHEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cccc(C#N)c1 ZINC000064755513 967284999 /nfs/dbraw/zinc/28/49/99/967284999.db2.gz ISJYCHUSGBADEA-UHFFFAOYSA-N 0 3 404.436 3.850 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000538188155 1013746465 /nfs/dbraw/zinc/74/64/65/1013746465.db2.gz MICAQLAUJHHLKD-IBGZPJMESA-N 0 3 417.513 3.868 20 30 HHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000046608963 967879381 /nfs/dbraw/zinc/87/93/81/967879381.db2.gz LOKIHNLDMNFNBG-INIZCTEOSA-N 0 3 416.472 3.994 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000046815400 967977399 /nfs/dbraw/zinc/97/73/99/967977399.db2.gz VRGGHGPPEALQPA-UHFFFAOYSA-N 0 3 421.541 3.769 20 30 HHEDHN CCN(CC)S(=O)(=O)c1cccc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000047376112 968163646 /nfs/dbraw/zinc/16/36/46/968163646.db2.gz FKONHUBNCWIAQE-LJQANCHMSA-N 0 3 407.495 3.755 20 30 HHEDHN C=CCC[C@@H](NCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccccc1 ZINC000538259393 1013801560 /nfs/dbraw/zinc/80/15/60/1013801560.db2.gz GMPGHBYOKAXTIZ-FCHUYYIVSA-N 0 3 418.603 3.632 20 30 HHEDHN Cc1nc(SCC(=O)N(CCN(C)C)Cc2ccccc2F)c(C#N)c(C)c1C ZINC000065893715 968703266 /nfs/dbraw/zinc/70/32/66/968703266.db2.gz KCGQQDTURKZVBH-UHFFFAOYSA-N 0 3 414.550 3.700 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000065930605 968720781 /nfs/dbraw/zinc/72/07/81/968720781.db2.gz FGIPJPWYGBWCKJ-UHFFFAOYSA-N 0 3 406.313 3.834 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1-c1ccccc1C ZINC000065930568 968720824 /nfs/dbraw/zinc/72/08/24/968720824.db2.gz XQWKQXSGPHFQAV-UHFFFAOYSA-N 0 3 401.514 3.565 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(C)n1CC(F)(F)F ZINC000065930823 968721510 /nfs/dbraw/zinc/72/15/10/968721510.db2.gz STOYUWTZKLELPS-UHFFFAOYSA-N 0 3 406.452 3.743 20 30 HHEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000065936817 968725642 /nfs/dbraw/zinc/72/56/42/968725642.db2.gz XKHCPUWWQIZULX-UHFFFAOYSA-N 0 3 415.969 3.590 20 30 HHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccc(C#N)cc1 ZINC000065938823 968729123 /nfs/dbraw/zinc/72/91/23/968729123.db2.gz SHNVMWMEOOFTGH-UHFFFAOYSA-N 0 3 405.420 3.546 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000110938102 969743656 /nfs/dbraw/zinc/74/36/56/969743656.db2.gz JKTYKPSBUNSQCF-IRLDBZIGSA-N 0 3 418.541 3.665 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000110938099 969743704 /nfs/dbraw/zinc/74/37/04/969743704.db2.gz JKTYKPSBUNSQCF-UNMCSNQZSA-N 0 3 418.541 3.665 20 30 HHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000195652822 969934380 /nfs/dbraw/zinc/93/43/80/969934380.db2.gz CTVTYJNKAARAJN-PWSUYJOCSA-N 0 3 422.234 3.915 20 30 HHEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195674252 969947623 /nfs/dbraw/zinc/94/76/23/969947623.db2.gz JPPRQLSPKDZEHF-AZUAARDMSA-N 0 3 404.297 3.784 20 30 HHEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CCCCC1 ZINC000195674010 969947671 /nfs/dbraw/zinc/94/76/71/969947671.db2.gz GUECYNPHXYSBQF-LJQANCHMSA-N 0 3 412.578 3.868 20 30 HHEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195674253 969947754 /nfs/dbraw/zinc/94/77/54/969947754.db2.gz JPPRQLSPKDZEHF-ICSRJNTNSA-N 0 3 404.297 3.784 20 30 HHEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)COc1ccccc1C#N ZINC000195686505 969957000 /nfs/dbraw/zinc/95/70/00/969957000.db2.gz DUJYXVWRODKCTM-UHFFFAOYSA-N 0 3 405.420 3.546 20 30 HHEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2csc(-c3ccccc3OC)n2)cc1 ZINC000138755845 970010369 /nfs/dbraw/zinc/01/03/69/970010369.db2.gz QKCDZPWWQYOPHW-INIZCTEOSA-N 0 3 407.451 3.788 20 30 HHEDHN Cc1sc2ncnc(SCCC(=O)C(C#N)C(=O)Nc3ccccn3)c2c1C ZINC000138862543 970013255 /nfs/dbraw/zinc/01/32/55/970013255.db2.gz YIRQQOHGCWFIJY-ZDUSSCGKSA-N 0 3 411.512 3.533 20 30 HHEDHN COCCN1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 ZINC000144299887 970227574 /nfs/dbraw/zinc/22/75/74/970227574.db2.gz AKWABQPIXVRDHL-UHFFFAOYSA-N 0 3 408.502 3.891 20 30 HHEDHN N#Cc1ccc(N2CCC(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)nc1 ZINC000238005658 970416328 /nfs/dbraw/zinc/41/63/28/970416328.db2.gz AIMUEZMUVRHXMN-UHFFFAOYSA-N 0 3 420.498 3.744 20 30 HHEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000195562661 970514782 /nfs/dbraw/zinc/51/47/82/970514782.db2.gz AHFRWTSFPWVRPR-UHFFFAOYSA-N 0 3 421.438 3.969 20 30 HHEDHN N#Cc1cccc(-n2ccc(C(=O)N3CCCN(CCCc4ccccc4)CC3)n2)c1 ZINC000409641833 973091760 /nfs/dbraw/zinc/09/17/60/973091760.db2.gz ZKFXRKWLZGQOHN-UHFFFAOYSA-N 0 3 413.525 3.525 20 30 HHEDHN N#Cc1cc(S(=O)(=O)N2C[C@H]3CCCN3Cc3ccccc32)ccc1C(F)(F)F ZINC000410329212 973895699 /nfs/dbraw/zinc/89/56/99/973895699.db2.gz GQJKOOXKHKSKLG-MRXNPFEDSA-N 0 3 421.444 3.750 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C[C@@H](C)O1 ZINC000426158742 974272599 /nfs/dbraw/zinc/27/25/99/974272599.db2.gz DYXNAGRLNRLTNP-HZPDHXFCSA-N 0 3 404.942 3.955 20 30 HHEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426537178 974513876 /nfs/dbraw/zinc/51/38/76/974513876.db2.gz FHOUBKVEXAWKAZ-HDICACEKSA-N 0 3 420.513 3.668 20 30 HHEDHN Cc1ccc(-c2noc(CCCN3CC[C@@H](Oc4ccc(C#N)cn4)C3)n2)cc1F ZINC000428775705 976048740 /nfs/dbraw/zinc/04/87/40/976048740.db2.gz AQGKIMJSGNBGNJ-GOSISDBHSA-N 0 3 407.449 3.537 20 30 HHEDHN CN(C)CCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CCCC1 ZINC000429803309 977078912 /nfs/dbraw/zinc/07/89/12/977078912.db2.gz FIWBYFYNIRVMFF-UHFFFAOYSA-N 0 3 420.513 3.622 20 30 HHEDHN C[C@@H]1C[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CN1Cc1ccccc1 ZINC000429810844 977085620 /nfs/dbraw/zinc/08/56/20/977085620.db2.gz CBHLXESZZTXDLK-KNQAVFIVSA-N 0 3 413.525 3.857 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2CN(Cc3ccccc3)C[C@H]2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431224088 978105015 /nfs/dbraw/zinc/10/50/15/978105015.db2.gz MJOOOWAJRXJAOL-WTIAFYNJSA-N 0 3 403.526 3.568 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCC(F)(F)F)c1 ZINC000431786154 978512071 /nfs/dbraw/zinc/51/20/71/978512071.db2.gz RAFHGSSPNZWGHW-UHFFFAOYSA-N 0 3 405.420 3.703 20 30 HHEDHN COc1cnccc1N1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000432073049 978669357 /nfs/dbraw/zinc/66/93/57/978669357.db2.gz VRYFVACNIHFBRV-INIZCTEOSA-N 0 3 411.531 3.839 20 30 HHEDHN N#CCCC[C@@H](NCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000433011457 979041391 /nfs/dbraw/zinc/04/13/91/979041391.db2.gz ORUKSTIMBZUJKG-HSZRJFAPSA-N 0 3 424.589 3.699 20 30 HHEDHN Cc1cc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)n(-c2nc(C)cc(C)n2)n1 ZINC000433035681 979048387 /nfs/dbraw/zinc/04/83/87/979048387.db2.gz NMZZHSWYZDXPPU-FQEVSTJZSA-N 0 3 417.517 3.551 20 30 HHEDHN O[C@H](COCC(F)(F)F)CN1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000433196522 979135200 /nfs/dbraw/zinc/13/52/00/979135200.db2.gz KLAQUJFIMQTKMT-LBPRGKRZSA-N 0 3 403.338 3.906 20 30 HHEDHN CC(C)C(=O)Nc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433320218 979234826 /nfs/dbraw/zinc/23/48/26/979234826.db2.gz RHSKAIKUPRXHFE-UHFFFAOYSA-N 0 3 402.502 3.743 20 30 HHEDHN COc1cccc(NC2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000435131173 980662079 /nfs/dbraw/zinc/66/20/79/980662079.db2.gz YLPFPRWVMLWPME-UHFFFAOYSA-N 0 3 416.529 3.944 20 30 HHEDHN N#Cc1cc(F)c(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000435379783 980828393 /nfs/dbraw/zinc/82/83/93/980828393.db2.gz NKVBYNIHIMQFSE-QGZVFWFLSA-N 0 3 407.424 3.732 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000436373680 981333990 /nfs/dbraw/zinc/33/39/90/981333990.db2.gz TUEGEKISMLJSDT-GIWBLDEGSA-N 0 3 423.561 3.741 20 30 HHEDHN C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000460809775 982563347 /nfs/dbraw/zinc/56/33/47/982563347.db2.gz OOFUNAZDRBIUCU-OAQYLSRUSA-N 0 3 423.605 3.719 20 30 HHEDHN N#Cc1cccnc1OC1CCC(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000438327091 982725590 /nfs/dbraw/zinc/72/55/90/982725590.db2.gz XHMNJKXPNCAYDX-XPPIMPSXSA-N 0 3 418.541 3.987 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000438385845 982757707 /nfs/dbraw/zinc/75/77/07/982757707.db2.gz FMLLVDCREARMKV-GHTZIAJQSA-N 0 3 414.912 3.980 20 30 HHEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000438442078 982795066 /nfs/dbraw/zinc/79/50/66/982795066.db2.gz IKZLVHRNGNBROP-IEBWSBKVSA-N 0 3 413.484 3.760 20 30 HHEDHN CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO1 ZINC000461145133 982851044 /nfs/dbraw/zinc/85/10/44/982851044.db2.gz FIEJRBGZMPAIHB-SIKLNZKXSA-N 0 3 422.577 3.555 20 30 HHEDHN Cc1oc(NC(=O)[C@@H](C)N2CCN(C3CCC(C(C)C)CC3)CC2)c(C#N)c1C ZINC000438542249 982881065 /nfs/dbraw/zinc/88/10/65/982881065.db2.gz TXNREOQECFDJGW-QHGAOEGBSA-N 0 3 400.567 3.928 20 30 HHEDHN CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000438661520 982979354 /nfs/dbraw/zinc/97/93/54/982979354.db2.gz SIPBNLOLYSFKLU-VQIMIIECSA-N 0 3 424.932 3.834 20 30 HHEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@@H]1C ZINC000461497565 983149050 /nfs/dbraw/zinc/14/90/50/983149050.db2.gz PYWADARHGYRGHS-IRXDYDNUSA-N 0 3 406.559 3.845 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@H](OCc3ccncc3)C1)CCCCC2 ZINC000439000366 983202645 /nfs/dbraw/zinc/20/26/45/983202645.db2.gz AEFWCMFYQFKWJX-SFHVURJKSA-N 0 3 424.570 3.903 20 30 HHEDHN COc1cc(CNCCC(=O)Nc2ccc(Br)cc2C)ccc1C#N ZINC000440803967 983913825 /nfs/dbraw/zinc/91/38/25/983913825.db2.gz BCIAACOWBJHCEJ-UHFFFAOYSA-N 0 3 402.292 3.756 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c(F)cc1Br ZINC000440876636 983947084 /nfs/dbraw/zinc/94/70/84/983947084.db2.gz BKOVSHBBUGUYTF-UHFFFAOYSA-N 0 3 422.273 3.803 20 30 HHEDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000440907603 983964709 /nfs/dbraw/zinc/96/47/09/983964709.db2.gz XGOUZCDRBXRQJL-UHFFFAOYSA-N 0 3 410.518 3.616 20 30 HHEDHN C[C@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000440987153 984013160 /nfs/dbraw/zinc/01/31/60/984013160.db2.gz WKYSPPLCBMMKMH-IBGZPJMESA-N 0 3 419.573 3.611 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461924054 984934186 /nfs/dbraw/zinc/93/41/86/984934186.db2.gz ZLGRVDLDOKEWCU-SJORKVTESA-N 0 3 409.452 3.776 20 30 HHEDHN C=C(C)COc1cc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)ccc1OC ZINC000462759730 985698220 /nfs/dbraw/zinc/69/82/20/985698220.db2.gz YYFUUZXSCDHIFD-BHIFYINESA-N 0 3 406.526 3.897 20 30 HHEDHN CN(CCNC(=O)C1CCN(c2ccc(C#N)c(Cl)c2)CC1)Cc1ccccc1 ZINC000462913556 985845469 /nfs/dbraw/zinc/84/54/69/985845469.db2.gz UKSVABXLJOKNCB-UHFFFAOYSA-N 0 3 410.949 3.676 20 30 HHEDHN C[C@H]1CN(CCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000443674048 985881378 /nfs/dbraw/zinc/88/13/78/985881378.db2.gz KLCBQTFZEDKHGN-PMACEKPBSA-N 0 3 421.541 3.756 20 30 HHEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000443836247 986034477 /nfs/dbraw/zinc/03/44/77/986034477.db2.gz GSWQNOLEBDUAQU-LAUBAEHRSA-N 0 3 406.530 3.542 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000444220023 986404518 /nfs/dbraw/zinc/40/45/18/986404518.db2.gz BKDJVEHWTCLKJI-LJQANCHMSA-N 0 3 408.571 3.837 20 30 HHEDHN CC(C)c1nn(C)c2sc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc12 ZINC000463485824 986461297 /nfs/dbraw/zinc/46/12/97/986461297.db2.gz VTBXLEBPDJSGQD-UHFFFAOYSA-N 0 3 409.559 3.834 20 30 HHEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000468952436 986656966 /nfs/dbraw/zinc/65/69/66/986656966.db2.gz KZVMTPDAIBPYKO-CVEARBPZSA-N 0 3 408.477 3.680 20 30 HHEDHN N#Cc1ccc(F)c(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000464048588 988170124 /nfs/dbraw/zinc/17/01/24/988170124.db2.gz IIOUFVWTUKZLSE-HXUWFJFHSA-N 0 3 405.395 3.768 20 30 HHEDHN C=CCn1c(SCCCN2CCN(C(C)C)CC2)nnc1-c1ccc(OC)cc1 ZINC000470449499 988428593 /nfs/dbraw/zinc/42/85/93/988428593.db2.gz IGZQMZZTSAMNOR-UHFFFAOYSA-N 0 3 415.607 3.648 20 30 HHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000465664589 990050264 /nfs/dbraw/zinc/05/02/64/990050264.db2.gz OSPHYXMZVZZQCU-NHCUHLMSSA-N 0 3 412.603 3.829 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000471970614 990136010 /nfs/dbraw/zinc/13/60/10/990136010.db2.gz OXHUPVDIUHSQKS-OAHLLOKOSA-N 0 3 401.486 3.585 20 30 HHEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000466162944 991351104 /nfs/dbraw/zinc/35/11/04/991351104.db2.gz KCVHZEYFMUAYTP-QGZVFWFLSA-N 0 3 414.937 3.752 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000467756108 993000836 /nfs/dbraw/zinc/00/08/36/993000836.db2.gz CSACTPMSNBANPB-QAPCUYQASA-N 0 3 406.555 3.945 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1CCN(c2ccccc2)CC1 ZINC000472373547 993370929 /nfs/dbraw/zinc/37/09/29/993370929.db2.gz KCGCXWDMNZSWTC-UHFFFAOYSA-N 0 3 419.573 3.548 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H]2CCCO[C@@H]2CC(C)C)c1C#N ZINC000481759332 994612346 /nfs/dbraw/zinc/61/23/46/994612346.db2.gz GFBQXSJYCYPMPE-LEWJYISDSA-N 0 3 412.534 3.740 20 30 HHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccccc1OCCN1CCOCC1 ZINC000481926245 994799091 /nfs/dbraw/zinc/79/90/91/994799091.db2.gz XDBBYSHVNVHTIX-DEOSSOPVSA-N 0 3 405.542 3.827 20 30 HHEDHN CCCOc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000473959049 994937708 /nfs/dbraw/zinc/93/77/08/994937708.db2.gz ILUAFABTYDBMDJ-UHFFFAOYSA-N 0 3 408.546 3.929 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000474221840 995216193 /nfs/dbraw/zinc/21/61/93/995216193.db2.gz AASABJOGOQEOHP-HSZRJFAPSA-N 0 3 420.557 3.538 20 30 HHEDHN CCOc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1OCC(=O)OC ZINC000474440801 995402282 /nfs/dbraw/zinc/40/22/82/995402282.db2.gz VEZOUJMBDDVIEX-AWEZNQCLSA-N 0 3 402.472 3.707 20 30 HHEDHN C=C(C)COc1cc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)ccc1OC ZINC000482736698 995715512 /nfs/dbraw/zinc/71/55/12/995715512.db2.gz XLZDXJWVZQAFDQ-XXBNENTESA-N 0 3 416.468 3.990 20 30 HHEDHN CCN1CCN(Cc2ccccc2CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000474868289 995764363 /nfs/dbraw/zinc/76/43/63/995764363.db2.gz KBDDLTWBPKFFEW-QFIPXVFZSA-N 0 3 404.558 3.528 20 30 HHEDHN C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000483016307 995921072 /nfs/dbraw/zinc/92/10/72/995921072.db2.gz PQZOAJOLFAXPBP-OFVILXPXSA-N 0 3 416.569 3.576 20 30 HHEDHN N#CC(C(=O)c1cc(Br)c2c(c1)OCCO2)c1cnc2ccccc2n1 ZINC000483233904 996051618 /nfs/dbraw/zinc/05/16/18/996051618.db2.gz VCWHWXHOUMXABM-GFCCVEGCSA-N 0 3 410.227 3.654 20 30 HHEDHN N#CC(C(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1cnc2ccccc2n1 ZINC000483242014 996056133 /nfs/dbraw/zinc/05/61/33/996056133.db2.gz WWKXIXPSQFQQAT-LBPRGKRZSA-N 0 3 411.343 3.737 20 30 HHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000483406824 996157355 /nfs/dbraw/zinc/15/73/55/996157355.db2.gz MOAKVCAXBOYFBD-WMZOPIPTSA-N 0 3 414.493 3.922 20 30 HHEDHN CC(C)(C#N)c1ccc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000475914139 996467790 /nfs/dbraw/zinc/46/77/90/996467790.db2.gz DYRJNFVNQGQVDC-UHFFFAOYSA-N 0 3 404.514 3.566 20 30 HHEDHN C[C@@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000484338558 996712836 /nfs/dbraw/zinc/71/28/36/996712836.db2.gz WHYJBNVLUYYZEQ-PXDATVDWSA-N 0 3 416.569 3.576 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1csc([C@@H](C)OC)n1 ZINC000476824587 997383604 /nfs/dbraw/zinc/38/36/04/997383604.db2.gz RXSOBHDHOPOMKU-OAHLLOKOSA-N 0 3 407.609 3.949 20 30 HHEDHN N#Cc1ccc(CN2CCCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)cc1 ZINC000476841161 997403599 /nfs/dbraw/zinc/40/35/99/997403599.db2.gz GFLWBNBDRWGFPP-UHFFFAOYSA-N 0 3 410.525 3.611 20 30 HHEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000477068940 997716770 /nfs/dbraw/zinc/71/67/70/997716770.db2.gz KERBISIYRRYXMW-GMYLUUGSSA-N 0 3 415.584 3.867 20 30 HHEDHN CO[C@H](C)c1nc(CN2CCCN(CCCOc3cccc(C#N)c3)CC2)cs1 ZINC000477274302 997952458 /nfs/dbraw/zinc/95/24/58/997952458.db2.gz YBLLRCUHQVNRGQ-GOSISDBHSA-N 0 3 414.575 3.699 20 30 HHEDHN Clc1cccc(C#CCN2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c1 ZINC000486846812 998970594 /nfs/dbraw/zinc/97/05/94/998970594.db2.gz ZLSRDEFJSRVZMT-VGOFRKELSA-N 0 3 405.889 3.585 20 30 HHEDHN COc1cnccc1N1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000478492082 998991785 /nfs/dbraw/zinc/99/17/85/998991785.db2.gz PNTQGUZKMQWWAW-UHFFFAOYSA-N 0 3 414.465 3.717 20 30 HHEDHN CC(C)([C@@H](NC(=O)CNc1cccc(C#N)c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000487111677 999065829 /nfs/dbraw/zinc/06/58/29/999065829.db2.gz NUXDCTBEFYSKQY-QFIPXVFZSA-N 0 3 412.484 3.980 20 30 HHEDHN C=CCOc1ccc(CNCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1Cl ZINC000479576139 999486370 /nfs/dbraw/zinc/48/63/70/999486370.db2.gz FWUIMMUMCOXZFW-UHFFFAOYSA-N 0 3 424.925 3.874 20 30 HHEDHN N#Cc1ccc(CN2CC[C@H](N[C@H]3CCc4cc(Br)ccc43)C2=O)cc1 ZINC000488477804 999501174 /nfs/dbraw/zinc/50/11/74/999501174.db2.gz KDYAYUMZXAQRQY-PMACEKPBSA-N 0 3 410.315 3.699 20 30 HHEDHN C=CC[C@@H](C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000488687849 999572840 /nfs/dbraw/zinc/57/28/40/999572840.db2.gz GOKWLHIGTIHOPC-LADGPHEKSA-N 0 3 418.585 3.802 20 30 HHEDHN Cc1nc(SCC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c(C#N)c(C)c1C ZINC000488896864 999639811 /nfs/dbraw/zinc/63/98/11/999639811.db2.gz GQVGBNLVBCJQDG-LJQANCHMSA-N 0 3 400.523 3.529 20 30 HHEDHN Cc1ccc([C@@H]2C[C@@H](C)N(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)cc1 ZINC000490058054 999886872 /nfs/dbraw/zinc/88/68/72/999886872.db2.gz FKUHJIHVWJFUJX-CEMLEFRQSA-N 0 3 422.598 3.643 20 30 HHEDHN Cc1cc(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)nn1-c1cccc(C#N)c1 ZINC000490535042 999974060 /nfs/dbraw/zinc/97/40/60/999974060.db2.gz NVUSARMFPPNRSH-RUZDIDTESA-N 0 3 413.525 3.837 20 30 HHEDHN C=CCN1CCC(N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491040068 1000038254 /nfs/dbraw/zinc/03/82/54/1000038254.db2.gz RNVZNFBIZZUMGE-QFIPXVFZSA-N 0 3 402.535 3.559 20 30 HHEDHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)nc1 ZINC000491151039 1000050739 /nfs/dbraw/zinc/05/07/39/1000050739.db2.gz WKJOUMCQUWSOQX-FQEVSTJZSA-N 0 3 414.513 3.513 20 30 HHEDHN C=CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000491194540 1000053990 /nfs/dbraw/zinc/05/39/90/1000053990.db2.gz NXJNHFMYMQJPQE-GOSISDBHSA-N 0 3 424.512 3.684 20 30 HHEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[C@@H]2C1 ZINC000492183100 1000114271 /nfs/dbraw/zinc/11/42/71/1000114271.db2.gz XZQWOULPRJSGHW-WIYYLYMNSA-N 0 3 408.477 3.834 20 30 HHEDHN N#Cc1ccc(OCCN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000493636147 1000182467 /nfs/dbraw/zinc/18/24/67/1000182467.db2.gz QEYPIQAHZWKQBU-INIZCTEOSA-N 0 3 415.419 3.878 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(Br)cs1 ZINC000505146303 1000576605 /nfs/dbraw/zinc/57/66/05/1000576605.db2.gz RSJRSIGDRYZCSA-UHFFFAOYSA-N 0 3 421.364 3.656 20 30 HHEDHN N#CC(C(=O)Nc1ccc2c(c1)C(=O)NC2=O)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000505439220 1000774012 /nfs/dbraw/zinc/77/40/12/1000774012.db2.gz VUNDYRVTZNXQTC-OAHLLOKOSA-N 0 3 422.853 3.593 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1 ZINC000495162162 1000895393 /nfs/dbraw/zinc/89/53/93/1000895393.db2.gz PPJRTHQNTGKBMX-UHFFFAOYSA-N 0 3 421.541 3.850 20 30 HHEDHN CCCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)Cc1ccc(C#N)cc1 ZINC000506939954 1001605976 /nfs/dbraw/zinc/60/59/76/1001605976.db2.gz PRLHIMARIPHQKZ-UHFFFAOYSA-N 0 3 422.598 3.958 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCc2cscn2)c1 ZINC000498380812 1001810955 /nfs/dbraw/zinc/81/09/55/1001810955.db2.gz OSIZJJMEMDSMBE-UHFFFAOYSA-N 0 3 420.538 3.798 20 30 HHEDHN Cc1nc(SCC(=O)N(Cc2ccco2)C2CCN(C)CC2)c(C#N)c(C)c1C ZINC000498452356 1001880253 /nfs/dbraw/zinc/88/02/53/1001880253.db2.gz JXMBMAIGSCIAQF-UHFFFAOYSA-N 0 3 412.559 3.687 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000498926079 1002323223 /nfs/dbraw/zinc/32/32/23/1002323223.db2.gz AVSCWBDYFWXEMQ-ICSRJNTNSA-N 0 3 420.561 3.814 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000498926079 1002323237 /nfs/dbraw/zinc/32/32/37/1002323237.db2.gz AVSCWBDYFWXEMQ-ICSRJNTNSA-N 0 3 420.561 3.814 20 30 HHEDHN N#CCCn1cc(C(=O)CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c2ccccc21 ZINC000498927025 1002324924 /nfs/dbraw/zinc/32/49/24/1002324924.db2.gz SYBZPGZZBVKNHU-QGZVFWFLSA-N 0 3 402.502 3.613 20 30 HHEDHN COc1ccc(C[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c2ccc(OC)cc2)cc1 ZINC000499047525 1002428439 /nfs/dbraw/zinc/42/84/39/1002428439.db2.gz HIAQZQWFJUOXPF-UPVQGACJSA-N 0 3 409.530 3.632 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000499055897 1002438264 /nfs/dbraw/zinc/43/82/64/1002438264.db2.gz YNHSISZKUHCYQQ-UHFFFAOYSA-N 0 3 408.502 3.968 20 30 HHEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000508669775 1003109388 /nfs/dbraw/zinc/10/93/88/1003109388.db2.gz JPEDKVKDJJHSDN-RNWQKYJXSA-N 0 3 410.562 3.681 20 30 HHEDHN C=CCn1c(Cc2ccccn2)nnc1N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000508815964 1003240660 /nfs/dbraw/zinc/24/06/60/1003240660.db2.gz FXLDSEYRFWNWHM-UHFFFAOYSA-N 0 3 408.594 3.787 20 30 HHEDHN C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC000508862598 1003282865 /nfs/dbraw/zinc/28/28/65/1003282865.db2.gz FNDUCFBHOQQBLW-UHFFFAOYSA-N 0 3 411.550 3.603 20 30 HHEDHN C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508896865 1003327571 /nfs/dbraw/zinc/32/75/71/1003327571.db2.gz VAMZOAKYTJXIQP-KDURUIRLSA-N 0 3 413.566 3.748 20 30 HHEDHN C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[C@H](c1ccccc1)N(C)C ZINC000508901513 1003337021 /nfs/dbraw/zinc/33/70/21/1003337021.db2.gz UUXVSPBSUOQVPS-GAJHUEQPSA-N 0 3 424.520 3.942 20 30 HHEDHN C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000508959681 1003420057 /nfs/dbraw/zinc/42/00/57/1003420057.db2.gz GWLKXOXOOYCCMI-IBGZPJMESA-N 0 3 409.578 3.587 20 30 HHEDHN C=CCOc1c(Br)cc(CN[C@H]2CC(=O)N3CCCC[C@H]23)cc1OCC ZINC000509420702 1003848732 /nfs/dbraw/zinc/84/87/32/1003848732.db2.gz ZQJGHXGQVDEDOZ-DLBZAZTESA-N 0 3 423.351 3.656 20 30 HHEDHN C[C@H]1CCCN(C(=O)C2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)C1 ZINC000509537588 1003930909 /nfs/dbraw/zinc/93/09/09/1003930909.db2.gz CWXWPWYGMXWOTR-FQEVSTJZSA-N 0 3 419.573 3.934 20 30 HHEDHN CC[C@H](C)N[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000509567325 1003949024 /nfs/dbraw/zinc/94/90/24/1003949024.db2.gz IZFZZZNQXPLMGS-LAUBAEHRSA-N 0 3 410.518 3.833 20 30 HHEDHN Cc1cc(C)n(-c2cccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)n1 ZINC000509888735 1004182384 /nfs/dbraw/zinc/18/23/84/1004182384.db2.gz VPJVONSWGBIYJQ-UHFFFAOYSA-N 0 3 416.529 3.957 20 30 HHEDHN CN(C)Cc1c2ccccc2oc1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000509954792 1004230504 /nfs/dbraw/zinc/23/05/04/1004230504.db2.gz FMQOWJLFWAPXHO-UHFFFAOYSA-N 0 3 418.497 3.881 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510099399 1004323061 /nfs/dbraw/zinc/32/30/61/1004323061.db2.gz OLTYBZMKNKGTEW-UWJYYQICSA-N 0 3 420.557 3.625 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510099399 1004323064 /nfs/dbraw/zinc/32/30/64/1004323064.db2.gz OLTYBZMKNKGTEW-UWJYYQICSA-N 0 3 420.557 3.625 20 30 HHEDHN C[C@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(C#N)cc1F ZINC000512659583 1004470231 /nfs/dbraw/zinc/47/02/31/1004470231.db2.gz IGRCTCVMIPSEAP-HNNXBMFYSA-N 0 3 421.563 3.827 20 30 HHEDHN N#Cc1ncn(CCNCc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)n1 ZINC000512903884 1004671902 /nfs/dbraw/zinc/67/19/02/1004671902.db2.gz IWRDFHQDRMNPFM-UHFFFAOYSA-N 0 3 423.480 3.598 20 30 HHEDHN COCCCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000511136575 1005039030 /nfs/dbraw/zinc/03/90/30/1005039030.db2.gz AZSKQGVEYOMMBQ-UHFFFAOYSA-N 0 3 421.541 3.502 20 30 HHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000513672432 1005076752 /nfs/dbraw/zinc/07/67/52/1005076752.db2.gz RMUOLXUSXUUHNM-KRWDZBQOSA-N 0 3 416.868 3.927 20 30 HHEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC000513790530 1005128884 /nfs/dbraw/zinc/12/88/84/1005128884.db2.gz ZFWDJVSUJLZSFY-RTBURBONSA-N 0 3 400.906 3.742 20 30 HHEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC000513790529 1005128907 /nfs/dbraw/zinc/12/89/07/1005128907.db2.gz ZFWDJVSUJLZSFY-RBUKOAKNSA-N 0 3 400.906 3.742 20 30 HHEDHN CCCN(CCN1CCCCC1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000502682920 1005178588 /nfs/dbraw/zinc/17/85/88/1005178588.db2.gz WDDWLFCXCPBKRQ-UHFFFAOYSA-N 0 3 413.566 3.551 20 30 HHEDHN CN1CCC(Oc2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)cn2)CC1 ZINC000514070647 1005253009 /nfs/dbraw/zinc/25/30/09/1005253009.db2.gz ZDZULZVTHCLIJV-UHFFFAOYSA-N 0 3 416.529 3.944 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000503056785 1005330774 /nfs/dbraw/zinc/33/07/74/1005330774.db2.gz GOOAMGSOOIVJRR-UHFFFAOYSA-N 0 3 423.467 3.535 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000514249611 1005333022 /nfs/dbraw/zinc/33/30/22/1005333022.db2.gz IERVTXYJPPVSRZ-UHFFFAOYSA-N 0 3 406.368 3.989 20 30 HHEDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000503280106 1005382874 /nfs/dbraw/zinc/38/28/74/1005382874.db2.gz IPWUIRQIYHNBMQ-FQEVSTJZSA-N 0 3 420.513 3.670 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503766125 1005490955 /nfs/dbraw/zinc/49/09/55/1005490955.db2.gz QXAFJZWSUSIEJN-HZPDHXFCSA-N 0 3 417.962 3.647 20 30 HHEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4ccnn4)cc3)n2)cc1 ZINC000534105354 1006079918 /nfs/dbraw/zinc/07/99/18/1006079918.db2.gz GFSKCUCEAHDYQB-GOSISDBHSA-N 0 3 401.451 3.889 20 30 HHEDHN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000514846751 1006169682 /nfs/dbraw/zinc/16/96/82/1006169682.db2.gz LZYGTIIYVJQLLW-KRWDZBQOSA-N 0 3 422.476 3.792 20 30 HHEDHN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538390795 1006660674 /nfs/dbraw/zinc/66/06/74/1006660674.db2.gz ZEGOGIXXVNGRAR-HJPURHCSSA-N 0 3 423.488 3.973 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](NCc3cc4c(cc3OC(F)F)OCO4)C2)c(F)c1 ZINC000538405177 1006673831 /nfs/dbraw/zinc/67/38/31/1006673831.db2.gz YTWKXGIJBQCUBK-HNNXBMFYSA-N 0 3 419.403 3.786 20 30 HHEDHN N#CC1(c2ccccc2)CCC([NH2+]CC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000538428989 1006694175 /nfs/dbraw/zinc/69/41/75/1006694175.db2.gz BWLSYSOLIIHCBJ-UHFFFAOYSA-N 0 3 423.991 3.674 20 30 HHEDHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)CC1 ZINC000532351346 1006812695 /nfs/dbraw/zinc/81/26/95/1006812695.db2.gz MFWMBUKHUDUBCM-MOPGFXCFSA-N 0 3 415.607 3.713 20 30 HHEDHN COc1ccc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1OCCCC#N ZINC000538731826 1007013173 /nfs/dbraw/zinc/01/31/73/1007013173.db2.gz QXRQLMALNRIHNZ-LJQANCHMSA-N 0 3 401.551 3.752 20 30 HHEDHN COc1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1OCCCC#N ZINC000538761541 1007045693 /nfs/dbraw/zinc/04/56/93/1007045693.db2.gz KMEZSIPZDPGROL-OAQYLSRUSA-N 0 3 402.535 3.928 20 30 HHEDHN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C(C)C)C2CCOCC2)cc1 ZINC000532733430 1007143576 /nfs/dbraw/zinc/14/35/76/1007143576.db2.gz CJGPXSJKFZNBIP-UHFFFAOYSA-N 0 3 424.545 3.802 20 30 HHEDHN CN(CCC#N)C(=O)CCN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000538953933 1007241375 /nfs/dbraw/zinc/24/13/75/1007241375.db2.gz NAAIQOBQCQZXGF-UHFFFAOYSA-N 0 3 423.492 3.590 20 30 HHEDHN CCN(CCC#N)C(=O)CN(Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@@H]1C ZINC000538956200 1007244142 /nfs/dbraw/zinc/24/41/42/1007244142.db2.gz OWRZUEGGVSDGGP-AZUAARDMSA-N 0 3 401.551 3.847 20 30 HHEDHN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000517002565 1007369863 /nfs/dbraw/zinc/36/98/63/1007369863.db2.gz PMVGNUFEKYHJDE-IIBYNOLFSA-N 0 3 403.448 3.956 20 30 HHEDHN N#Cc1cccc(OC2CCN(C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000517132930 1007447965 /nfs/dbraw/zinc/44/79/65/1007447965.db2.gz CPRKEHKDKQJADX-SQJMNOBHSA-N 0 3 406.526 3.857 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1-c1ccc(C)cc1 ZINC000517563952 1007772703 /nfs/dbraw/zinc/77/27/03/1007772703.db2.gz RZJYONPOYKPRRJ-UHFFFAOYSA-N 0 3 401.514 3.565 20 30 HHEDHN Clc1cccc(C#CCN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000533463664 1007773866 /nfs/dbraw/zinc/77/38/66/1007773866.db2.gz ZZWXMBREAXFAIR-QFIPXVFZSA-N 0 3 408.977 3.621 20 30 HHEDHN C=C(C)CN(CC)C(=O)CN(CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533532853 1007855611 /nfs/dbraw/zinc/85/56/11/1007855611.db2.gz URWKCIGZJNTQOY-UHFFFAOYSA-N 0 3 401.599 3.624 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N1CCC[C@H](C)C1 ZINC000517852840 1008013560 /nfs/dbraw/zinc/01/35/60/1008013560.db2.gz DLXKJASZNVIMON-ZWKOTPCHSA-N 0 3 420.513 3.526 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)CC1 ZINC000518022597 1008109912 /nfs/dbraw/zinc/10/99/12/1008109912.db2.gz MVPGBDNJULMCMS-UHFFFAOYSA-N 0 3 403.530 3.534 20 30 HHEDHN N#Cc1ccc(OCCN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000540319176 1008377540 /nfs/dbraw/zinc/37/75/40/1008377540.db2.gz KTOBLGJIGMWWPO-HXUWFJFHSA-N 0 3 417.431 3.909 20 30 HHEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H](c2ccccc2)C2CCC2)CC1 ZINC000540554410 1008479255 /nfs/dbraw/zinc/47/92/55/1008479255.db2.gz VWPMDCJJSYFGCG-ILBGXUMGSA-N 0 3 420.532 3.666 20 30 HHEDHN C=CCn1c(-c2ccc(C)o2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000519129626 1008554096 /nfs/dbraw/zinc/55/40/96/1008554096.db2.gz GEPJGRQTMHOIAG-UHFFFAOYSA-N 0 3 402.502 3.617 20 30 HHEDHN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549046016 1008612362 /nfs/dbraw/zinc/61/23/62/1008612362.db2.gz AMQQQYCOPHYRLU-KDURUIRLSA-N 0 3 422.577 3.552 20 30 HHEDHN CCN1CC[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549116362 1008683084 /nfs/dbraw/zinc/68/30/84/1008683084.db2.gz NBLWHSWXWQMPTJ-PZJWPPBQSA-N 0 3 400.885 3.714 20 30 HHEDHN C[C@H](N[C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)N(C)CCC#N ZINC000549116095 1008683202 /nfs/dbraw/zinc/68/32/02/1008683202.db2.gz NJHOVEMJOGMPHC-ZOCIIQOWSA-N 0 3 408.949 3.743 20 30 HHEDHN COc1cccc([C@H]2[C@H](NCC(=O)Nc3cc(Cl)ccc3C#N)CCN2C2CC2)c1 ZINC000549116449 1008684133 /nfs/dbraw/zinc/68/41/33/1008684133.db2.gz PLTXVGYLYSFJFE-OFNKIYASSA-N 0 3 424.932 3.726 20 30 HHEDHN C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000549285475 1008856572 /nfs/dbraw/zinc/85/65/72/1008856572.db2.gz IXGDNEPWGPTIKU-QFIPXVFZSA-N 0 3 414.642 3.582 20 30 HHEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCc2ccccc2)CC1 ZINC000549301558 1008876889 /nfs/dbraw/zinc/87/68/89/1008876889.db2.gz CZSQJIIZSKBJFJ-UHFFFAOYSA-N 0 3 412.541 3.758 20 30 HHEDHN N#CCCn1cc(C=Cc2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)c2ccccc21 ZINC000545847784 1008934662 /nfs/dbraw/zinc/93/46/62/1008934662.db2.gz ILNXZLCUYDMLQJ-WAGRNVLXSA-N 0 3 400.486 3.964 20 30 HHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000519781601 1009003535 /nfs/dbraw/zinc/00/35/35/1009003535.db2.gz SODGHJCGMFIAHH-UHFFFAOYSA-N 0 3 423.605 3.971 20 30 HHEDHN CCN(CC)[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1cccc(OC)c1 ZINC000545964828 1009023389 /nfs/dbraw/zinc/02/33/89/1009023389.db2.gz NTWVVOIESASBEE-QHCPKHFHSA-N 0 3 417.513 3.565 20 30 HHEDHN CC(C)N1CC[C@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000549467399 1009059686 /nfs/dbraw/zinc/05/96/86/1009059686.db2.gz CMFFTRLRCQEFCG-UZQPLGKSSA-N 0 3 412.484 3.977 20 30 HHEDHN COc1cccc([C@@H]2[C@H](NCC(=O)N(CCC#N)c3ccccc3)CCN2C2CC2)c1 ZINC000549468175 1009061359 /nfs/dbraw/zinc/06/13/59/1009061359.db2.gz IMRZAXQBJRTNGM-ILBGXUMGSA-N 0 3 418.541 3.509 20 30 HHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC#Cc1cccc(F)c1 ZINC000549583281 1009209333 /nfs/dbraw/zinc/20/93/33/1009209333.db2.gz HWIFCJFITSTAGQ-UHFFFAOYSA-N 0 3 421.438 3.969 20 30 HHEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000546225162 1009251193 /nfs/dbraw/zinc/25/11/93/1009251193.db2.gz GHPWQQVDTOFPIZ-SIKLNZKXSA-N 0 3 408.521 3.502 20 30 HHEDHN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000549668812 1009299269 /nfs/dbraw/zinc/29/92/69/1009299269.db2.gz ANWIGUFESJLKRS-UHFFFAOYSA-N 0 3 416.573 3.941 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)CC1 ZINC000543694410 1009302859 /nfs/dbraw/zinc/30/28/59/1009302859.db2.gz BBVKIZYOOUNIGP-UHFFFAOYSA-N 0 3 422.367 3.652 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CC1 ZINC000520744244 1009813755 /nfs/dbraw/zinc/81/37/55/1009813755.db2.gz VEEXHAHJTJTWNR-UHFFFAOYSA-N 0 3 404.514 3.661 20 30 HHEDHN N#CC(C(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccncn1 ZINC000546860239 1009823048 /nfs/dbraw/zinc/82/30/48/1009823048.db2.gz KMXOYOPVWCOHGS-OAHLLOKOSA-N 0 3 421.254 3.981 20 30 HHEDHN N#CCCN(C(=O)CN1CCN(CC2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000520848669 1009901573 /nfs/dbraw/zinc/90/15/73/1009901573.db2.gz PXNKJTSOAWWQKA-UHFFFAOYSA-N 0 3 402.970 3.785 20 30 HHEDHN C=CCOc1ccc(-c2nc(-c3ccc(N4CCCN(C)CC4)nc3)no2)cc1OC ZINC000544388498 1010010645 /nfs/dbraw/zinc/01/06/45/1010010645.db2.gz SZEJFKQEVRRJCV-UHFFFAOYSA-N 0 3 421.501 3.514 20 30 HHEDHN N#CC(C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccncn1 ZINC000544815111 1010408148 /nfs/dbraw/zinc/40/81/48/1010408148.db2.gz XMDHXGBUDUICEG-YVXFQLMNSA-N 0 3 414.509 3.799 20 30 HHEDHN Cc1n[nH]cc1C1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000551424553 1010578756 /nfs/dbraw/zinc/57/87/56/1010578756.db2.gz KGVWUDZEXUOROU-CQSZACIVSA-N 0 3 411.575 3.984 20 30 HHEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000522341208 1010941989 /nfs/dbraw/zinc/94/19/89/1010941989.db2.gz TXMNRJOGMNMZAA-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN C=CCc1cc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000522692969 1011161622 /nfs/dbraw/zinc/16/16/22/1011161622.db2.gz HZVRLUPRTNVVSP-UHFFFAOYSA-N 0 3 423.557 3.850 20 30 HHEDHN CN1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000536170886 1011302484 /nfs/dbraw/zinc/30/24/84/1011302484.db2.gz VTBYYNLYZJZGGP-WOJBJXKFSA-N 0 3 401.432 3.802 20 30 HHEDHN CN1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000536170881 1011302561 /nfs/dbraw/zinc/30/25/61/1011302561.db2.gz VTBYYNLYZJZGGP-UXHICEINSA-N 0 3 401.432 3.802 20 30 HHEDHN CN1CC[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H]1c1ccccc1 ZINC000536225442 1011373211 /nfs/dbraw/zinc/37/32/11/1011373211.db2.gz KYPYXXPZXUENFJ-AELPEBTASA-N 0 3 418.541 3.993 20 30 HHEDHN Cc1cc(NC(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)nn1CCC#N ZINC000540818089 1011479791 /nfs/dbraw/zinc/47/97/91/1011479791.db2.gz FAHRGIQTUTXQEX-HXUWFJFHSA-N 0 3 408.550 3.700 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000540826111 1011490255 /nfs/dbraw/zinc/49/02/55/1011490255.db2.gz FQBQMJRMJXORMC-HSZRJFAPSA-N 0 3 420.557 3.854 20 30 HHEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523083423 1011553777 /nfs/dbraw/zinc/55/37/77/1011553777.db2.gz CXTIGYZSKTWMIG-ZWKOTPCHSA-N 0 3 420.513 3.526 20 30 HHEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523083420 1011553886 /nfs/dbraw/zinc/55/38/86/1011553886.db2.gz CXTIGYZSKTWMIG-MSOLQXFVSA-N 0 3 420.513 3.526 20 30 HHEDHN CC(C)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2cccnc2)no1 ZINC000540984722 1011617772 /nfs/dbraw/zinc/61/77/72/1011617772.db2.gz YMIBLFMSYFJNRV-QFIPXVFZSA-N 0 3 416.529 3.955 20 30 HHEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CN1Cc1ccccc1 ZINC000541098503 1011744564 /nfs/dbraw/zinc/74/45/64/1011744564.db2.gz KSCDEURZRQKHSK-QFBILLFUSA-N 0 3 418.476 3.668 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)NC[C@H](c3cccs3)N3CCCC3)n2)c(F)c1 ZINC000541102805 1011749542 /nfs/dbraw/zinc/74/95/42/1011749542.db2.gz ILMKQZQVTINMGO-GOSISDBHSA-N 0 3 424.505 3.903 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)CC1 ZINC000536928284 1012214045 /nfs/dbraw/zinc/21/40/45/1012214045.db2.gz MIOHXNTUOWQKCX-HNAYVOBHSA-N 0 3 424.383 3.865 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000541490664 1012265506 /nfs/dbraw/zinc/26/55/06/1012265506.db2.gz MAVOFCNOUSICBU-NRFANRHFSA-N 0 3 422.529 3.760 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000541500852 1012280673 /nfs/dbraw/zinc/28/06/73/1012280673.db2.gz ZWAOIARLRXTLFW-UHFFFAOYSA-N 0 3 422.529 3.712 20 30 HHEDHN N#CC(C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nnc2n1CCCCC2 ZINC000552274207 1012288283 /nfs/dbraw/zinc/28/82/83/1012288283.db2.gz GQEPLPJFIJKYLC-INIZCTEOSA-N 0 3 414.391 3.699 20 30 HHEDHN C[C@@H](N[C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541636580 1012451009 /nfs/dbraw/zinc/45/10/09/1012451009.db2.gz ADKCIHFBRSUYPJ-KDOFPFPSSA-N 0 3 416.591 3.630 20 30 HHEDHN C=CCC[C@@H](NCC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000537157061 1012553146 /nfs/dbraw/zinc/55/31/46/1012553146.db2.gz LXNCZSPWEJTHPB-NFBKMPQASA-N 0 3 411.590 3.781 20 30 HHEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000537249452 1012694631 /nfs/dbraw/zinc/69/46/31/1012694631.db2.gz UTJCATREPAFNBU-OFNKIYASSA-N 0 3 408.571 3.588 20 30 HHEDHN N#CC(C(=O)Nc1cccc(-c2nnc3n2CCC3)c1)c1nc2ccccc2s1 ZINC000523958446 1012702156 /nfs/dbraw/zinc/70/21/56/1012702156.db2.gz XZEUKVNQEHGLPH-OAHLLOKOSA-N 0 3 400.467 3.747 20 30 HHEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000537278345 1012733117 /nfs/dbraw/zinc/73/31/17/1012733117.db2.gz DISNVMSENYJSBX-VWKPWSFCSA-N 0 3 403.548 3.731 20 30 HHEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000537282144 1012737234 /nfs/dbraw/zinc/73/72/34/1012737234.db2.gz WNNHYKJJVWIMIS-CKJXQJPGSA-N 0 3 403.548 3.588 20 30 HHEDHN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000542035138 1012933946 /nfs/dbraw/zinc/93/39/46/1012933946.db2.gz VNXBOYQIQHEFKP-LJQANCHMSA-N 0 3 420.904 3.793 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1)[C@@H]1CCCN(C)C1 ZINC000537454210 1012947724 /nfs/dbraw/zinc/94/77/24/1012947724.db2.gz FEVXKWPOTAIMGI-JOCHJYFZSA-N 0 3 416.525 3.660 20 30 HHEDHN Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)C(C#N)c3cc(C)nc(C)n3)c12 ZINC000537476551 1012984304 /nfs/dbraw/zinc/98/43/04/1012984304.db2.gz CIEYAABBCQJRKI-SFHVURJKSA-N 0 3 423.480 3.898 20 30 HHEDHN CN(C)Cc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)cc1 ZINC000904622581 1071816685 /nfs/dbraw/zinc/81/66/85/1071816685.db2.gz JPRVTPIKCZCVKK-KRWDZBQOSA-N 0 3 421.888 3.844 20 30 HHEDHN Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000586872984 1072497660 /nfs/dbraw/zinc/49/76/60/1072497660.db2.gz CCSFGFKFVMEALJ-JOCHJYFZSA-N 0 3 420.532 3.567 20 30 HHEDHN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CNC3(CO)CCCC3)sc2C1 ZINC001168323657 1072504493 /nfs/dbraw/zinc/50/44/93/1072504493.db2.gz DIVHGVLPJBCUSG-OAHLLOKOSA-N 0 3 403.592 3.994 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000554903800 1072938420 /nfs/dbraw/zinc/93/84/20/1072938420.db2.gz LYGXLSQYAMHWOR-IBGZPJMESA-N 0 3 400.910 3.680 20 30 HHEDHN CCN1CCN(c2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)c(C)c2)CC1 ZINC000555064554 1073115598 /nfs/dbraw/zinc/11/55/98/1073115598.db2.gz FOTGEPITFMBQAT-UHFFFAOYSA-N 0 3 417.435 3.675 20 30 HHEDHN CN(C)C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000555229178 1073274671 /nfs/dbraw/zinc/27/46/71/1073274671.db2.gz DOPPDOHHKWMOGZ-HXUWFJFHSA-N 0 3 412.921 3.740 20 30 HHEDHN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000555250606 1073280905 /nfs/dbraw/zinc/28/09/05/1073280905.db2.gz ONIYIKZFJCPXMU-JOCHJYFZSA-N 0 3 409.578 3.697 20 30 HHEDHN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1ccccc1C(F)(F)F ZINC000588967160 1073363194 /nfs/dbraw/zinc/36/31/94/1073363194.db2.gz PYKMXAWPQADSMC-UONOGXRCSA-N 0 3 411.449 3.528 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)CC1 ZINC000592075690 1074687856 /nfs/dbraw/zinc/68/78/56/1074687856.db2.gz VGHZYYIIMPCTHM-UHFFFAOYSA-N 0 3 406.452 3.970 20 30 HHEDHN N#C[C@H](c1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nn1)c1ccccc1F ZINC001164723955 720405982 /nfs/dbraw/zinc/40/59/82/720405982.db2.gz IIPODJCCRVCVJE-AJSBUHFISA-N 0 3 414.488 3.519 20 30 HHEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164898538 721517854 /nfs/dbraw/zinc/51/78/54/721517854.db2.gz ILGVWXNOEPKPKS-SJLPKXTDSA-N 0 3 423.879 3.636 20 30 HHEDHN N#Cc1cc2nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)ccc2[nH]1 ZINC001164906978 721721817 /nfs/dbraw/zinc/72/18/17/721721817.db2.gz PDMKEXOSIQRKJU-NRFANRHFSA-N 0 3 408.456 3.567 20 30 HHEDHN N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000301875039 971095255 /nfs/dbraw/zinc/09/52/55/971095255.db2.gz MBRIVARLUAXRNX-ZWKOTPCHSA-N 0 3 424.451 3.755 20 30 HHEDHN C=CCN1CCC(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)CC1 ZINC000303258611 971584498 /nfs/dbraw/zinc/58/44/98/971584498.db2.gz HIBJWAWBQBBOQD-UHFFFAOYSA-N 0 3 411.506 3.515 20 30 HHEDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000303287277 971600543 /nfs/dbraw/zinc/60/05/43/971600543.db2.gz KAQYSTNTOKSPJC-HSZRJFAPSA-N 0 3 420.557 3.947 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303468386 971770968 /nfs/dbraw/zinc/77/09/68/971770968.db2.gz MSXFOSMJFCYZGQ-SEJPIABJSA-N 0 3 418.541 3.520 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303468386 971770976 /nfs/dbraw/zinc/77/09/76/971770976.db2.gz MSXFOSMJFCYZGQ-SEJPIABJSA-N 0 3 418.541 3.520 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(Oc3ccc(F)cc3)CC2)c(OC)c1 ZINC000303634557 971914290 /nfs/dbraw/zinc/91/42/90/971914290.db2.gz GAGOFWBTGLJDOK-FQEVSTJZSA-N 0 3 415.505 3.846 20 30 HHEDHN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000553364103 1013303742 /nfs/dbraw/zinc/30/37/42/1013303742.db2.gz FBZDCXFAPGQZGU-QZTJIDSGSA-N 0 3 405.477 3.997 20 30 HHEDHN Cc1onc(CC(=O)N2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)c1C#N ZINC000553546763 1013442460 /nfs/dbraw/zinc/44/24/60/1013442460.db2.gz LAGMJKMJQMRHOD-NRFANRHFSA-N 0 3 408.546 3.589 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)CC1 ZINC000537911457 1013496772 /nfs/dbraw/zinc/49/67/72/1013496772.db2.gz NNHJZWZVDYPIKK-UHFFFAOYSA-N 0 3 417.382 3.989 20 30 HHEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1ccc(C#N)cc1 ZINC000056996979 965243948 /nfs/dbraw/zinc/24/39/48/965243948.db2.gz UTLWBGGHPZKZSA-UHFFFAOYSA-N 0 3 414.347 3.844 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cc(Br)c2)CC1 ZINC000538017071 1013589377 /nfs/dbraw/zinc/58/93/77/1013589377.db2.gz VGKCHCYGJWNNAD-UHFFFAOYSA-N 0 3 416.157 3.982 20 30 HHEDHN Cc1ccc(C#N)cc1NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000058452104 965738375 /nfs/dbraw/zinc/73/83/75/965738375.db2.gz ODGKCKIRTXMGQF-UHFFFAOYSA-N 0 3 405.546 3.586 20 30 HHEDHN CC(C)(C)c1ccc(OC[C@@H](O)CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000058580499 965792787 /nfs/dbraw/zinc/79/27/87/965792787.db2.gz BVFUAAWRDRRBGQ-QFIPXVFZSA-N 0 3 407.558 3.808 20 30 HHEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000060532073 966193703 /nfs/dbraw/zinc/19/37/03/966193703.db2.gz YXOSLXGURYRWSN-HXUWFJFHSA-N 0 3 412.559 3.615 20 30 HHEDHN N#CC(C(=O)c1ccc(-n2cnnn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041515035 966583509 /nfs/dbraw/zinc/58/35/09/966583509.db2.gz PJFWGMCKPMSJGC-INIZCTEOSA-N 0 3 406.858 3.929 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000042838771 966855304 /nfs/dbraw/zinc/85/53/04/966855304.db2.gz XVCVMKKNINKAMU-UHFFFAOYSA-N 0 3 418.463 3.893 20 30 HHEDHN N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cc1C(F)(F)F ZINC000538131776 1013693472 /nfs/dbraw/zinc/69/34/72/1013693472.db2.gz PVUUWPWZHDCKBB-INIZCTEOSA-N 0 3 421.444 3.750 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1coc(-c2cccs2)n1 ZINC000045345217 967430297 /nfs/dbraw/zinc/43/02/97/967430297.db2.gz LJJOWYYGQSGHOS-UHFFFAOYSA-N 0 3 409.515 3.548 20 30 HHEDHN C=CCOc1ccc(C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)cc1OC ZINC000046939324 968014472 /nfs/dbraw/zinc/01/44/72/968014472.db2.gz IMWUMONWNDWXKP-UHFFFAOYSA-N 0 3 409.530 3.650 20 30 HHEDHN COc1ccc(Br)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047234325 968097832 /nfs/dbraw/zinc/09/78/32/968097832.db2.gz FYBMGWYQRHARIY-UHFFFAOYSA-N 0 3 416.319 3.533 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047287136 968122769 /nfs/dbraw/zinc/12/27/69/968122769.db2.gz NGEPYZUMIOTQIT-UHFFFAOYSA-N 0 3 408.483 3.885 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000065931275 968721473 /nfs/dbraw/zinc/72/14/73/968721473.db2.gz XPCWVABNQUDHJN-UHFFFAOYSA-N 0 3 406.313 3.834 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000065931268 968721551 /nfs/dbraw/zinc/72/15/51/968721551.db2.gz WDPNUKIPHWBEFS-UHFFFAOYSA-N 0 3 404.539 3.815 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000107578950 969317080 /nfs/dbraw/zinc/31/70/80/969317080.db2.gz DCGJSBFTMDYHIR-SFHVURJKSA-N 0 3 413.543 3.741 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000195660519 969939126 /nfs/dbraw/zinc/93/91/26/969939126.db2.gz TVBMOPYQHZJCIY-ZEQRLZLVSA-N 0 3 420.557 3.799 20 30 HHEDHN N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000195661862 969940340 /nfs/dbraw/zinc/94/03/40/969940340.db2.gz PLQCIDXPABQQMR-HXUWFJFHSA-N 0 3 411.546 3.959 20 30 HHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000140309996 970072249 /nfs/dbraw/zinc/07/22/49/970072249.db2.gz OOUHDIBAGLDYSM-MRXNPFEDSA-N 0 3 406.423 3.988 20 30 HHEDHN C#CCOc1ccccc1CNCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000237234337 970246634 /nfs/dbraw/zinc/24/66/34/970246634.db2.gz WYULSVWPQFPONR-UHFFFAOYSA-N 0 3 417.475 3.759 20 30 HHEDHN COc1ccc(CNc2cccc(CN3CCN(C)CC3)c2)cc1OCCCC#N ZINC000237410068 970280550 /nfs/dbraw/zinc/28/05/50/970280550.db2.gz WEMDPEZWVIPPLX-UHFFFAOYSA-N 0 3 408.546 3.737 20 30 HHEDHN N#Cc1ccc(Br)cc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404215811 972882813 /nfs/dbraw/zinc/88/28/13/972882813.db2.gz XJBDIFWHOCQZFH-LEWJYISDSA-N 0 3 412.331 3.800 20 30 HHEDHN COc1cccc([C@H]2[C@H](Nc3ccc(C(F)(F)F)c(C#N)n3)CCN2C2CC2)c1 ZINC000409735626 973210675 /nfs/dbraw/zinc/21/06/75/973210675.db2.gz YLWHCKPXDSSGRU-XLIONFOSSA-N 0 3 402.420 4.371 20 30 HHEDHN COc1cccc([C@@H]2[C@H](Nc3ccc(C(F)(F)F)c(C#N)n3)CCN2C2CC2)c1 ZINC000409735627 973210866 /nfs/dbraw/zinc/21/08/66/973210866.db2.gz YLWHCKPXDSSGRU-YLJYHZDGSA-N 0 3 402.420 4.371 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCC[C@H](C)C1 ZINC000425918000 974030582 /nfs/dbraw/zinc/03/05/82/974030582.db2.gz HNSWXVVDEUIAMH-ZWKOTPCHSA-N 0 3 420.513 3.526 20 30 HHEDHN COC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000426610703 974561814 /nfs/dbraw/zinc/56/18/14/974561814.db2.gz FVVUVWQUVWYGRG-NRFANRHFSA-N 0 3 414.937 3.673 20 30 HHEDHN CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000428526503 975818676 /nfs/dbraw/zinc/81/86/76/975818676.db2.gz IVTYNWOEOSTSLA-JOCHJYFZSA-N 0 3 413.525 3.810 20 30 HHEDHN N#CCC[C@@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000428963124 976251640 /nfs/dbraw/zinc/25/16/40/976251640.db2.gz CBYNAJORJONLNJ-DHIUTWEWSA-N 0 3 406.530 3.622 20 30 HHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429047571 976333755 /nfs/dbraw/zinc/33/37/55/976333755.db2.gz XLCVNDVWIMDYBJ-OAQYLSRUSA-N 0 3 422.529 3.758 20 30 HHEDHN CC1(C)Cc2c(cccc2Br)[C@H]1NCC(=O)NCc1cccc(C#N)c1 ZINC000429386606 976660574 /nfs/dbraw/zinc/66/05/74/976660574.db2.gz WYXOYYDHAMQOHT-HXUWFJFHSA-N 0 3 412.331 3.850 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)c(OC)cc2OC)CC1 ZINC000429662030 976961105 /nfs/dbraw/zinc/96/11/05/976961105.db2.gz QISLNQNUDZPBKD-UHFFFAOYSA-N 0 3 412.328 3.628 20 30 HHEDHN C=CCN1C(=O)N([C@H]2CCCN(Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000430931382 977895847 /nfs/dbraw/zinc/89/58/47/977895847.db2.gz COCUOFFVHSFZDA-XZOQPEGZSA-N 0 3 403.526 3.713 20 30 HHEDHN C=CCN1C(=O)N(C[C@H](c2ccccc2)N2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430949320 977908855 /nfs/dbraw/zinc/90/88/55/977908855.db2.gz CCOIEPRHZIQKKN-XZOQPEGZSA-N 0 3 403.526 3.885 20 30 HHEDHN C=CCN1CCC(NC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000432085657 978674529 /nfs/dbraw/zinc/67/45/29/978674529.db2.gz RGANFWVFEALONR-QGZVFWFLSA-N 0 3 406.368 3.674 20 30 HHEDHN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000432571979 978894298 /nfs/dbraw/zinc/89/42/98/978894298.db2.gz IMTWHAARJHMYBY-QFIPXVFZSA-N 0 3 404.514 3.620 20 30 HHEDHN N#Cc1ccc([C@@H](NCC2(c3cccc(Br)c3)CCCC2)C(N)=O)cc1 ZINC000433451868 979312845 /nfs/dbraw/zinc/31/28/45/979312845.db2.gz DOIYMIOOLHCJJQ-LJQANCHMSA-N 0 3 412.331 3.949 20 30 HHEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434679774 980335658 /nfs/dbraw/zinc/33/56/58/980335658.db2.gz FQTMAAVBGXDGHX-IQJRZOLZSA-N 0 3 411.594 3.718 20 30 HHEDHN N#Cc1cccc(C2(C(=O)NC3CCN(CCOc4ccc(Cl)cc4)CC3)CC2)c1 ZINC000435588787 980951289 /nfs/dbraw/zinc/95/12/89/980951289.db2.gz OLYYHCKZPODCRL-UHFFFAOYSA-N 0 3 423.944 3.903 20 30 HHEDHN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460783056 982535556 /nfs/dbraw/zinc/53/55/56/982535556.db2.gz CYLYMDFDKQIENG-GOSISDBHSA-N 0 3 413.591 3.828 20 30 HHEDHN CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO1 ZINC000461145134 982850845 /nfs/dbraw/zinc/85/08/45/982850845.db2.gz FIEJRBGZMPAIHB-UGKGYDQZSA-N 0 3 422.577 3.555 20 30 HHEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000438643202 982961594 /nfs/dbraw/zinc/96/15/94/982961594.db2.gz DPTDKUUFOONMKJ-HUUCEWRRSA-N 0 3 424.467 3.930 20 30 HHEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@@H]1C ZINC000461497561 983149045 /nfs/dbraw/zinc/14/90/45/983149045.db2.gz PYWADARHGYRGHS-DLBZAZTESA-N 0 3 406.559 3.845 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@H](OCc3ccncc3)C1)CCCC2 ZINC000439007670 983206301 /nfs/dbraw/zinc/20/63/01/983206301.db2.gz VBWCVDRLARTUPO-KRWDZBQOSA-N 0 3 410.543 3.513 20 30 HHEDHN CN(CCNC(=O)C1CCN(Cc2ccc(C#N)cc2Cl)CC1)Cc1ccccc1 ZINC000439454593 983417705 /nfs/dbraw/zinc/41/77/05/983417705.db2.gz SDWZPEZBEZLRHR-UHFFFAOYSA-N 0 3 424.976 3.672 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000439725269 983516143 /nfs/dbraw/zinc/51/61/43/983516143.db2.gz CBVGRCJXSYXOBW-QFIPXVFZSA-N 0 3 418.541 3.820 20 30 HHEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000439993560 983609396 /nfs/dbraw/zinc/60/93/96/983609396.db2.gz GPDXGQZRPOWEQE-UHFFFAOYSA-N 0 3 413.610 3.705 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000440247067 983695895 /nfs/dbraw/zinc/69/58/95/983695895.db2.gz XFGIKBWPIBXXGJ-UHFFFAOYSA-N 0 3 413.525 3.894 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000441686189 984395068 /nfs/dbraw/zinc/39/50/68/984395068.db2.gz IYGKZEXMTCEDOY-CBGDNZLLSA-N 0 3 424.570 3.827 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461924051 984933866 /nfs/dbraw/zinc/93/38/66/984933866.db2.gz ZLGRVDLDOKEWCU-DLBZAZTESA-N 0 3 409.452 3.776 20 30 HHEDHN CN(CCNC(=O)C1CCN(c2cc(Cl)ccc2C#N)CC1)Cc1ccccc1 ZINC000462899773 985827234 /nfs/dbraw/zinc/82/72/34/985827234.db2.gz DFWMNZDORSOLCH-UHFFFAOYSA-N 0 3 410.949 3.676 20 30 HHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000443673944 985881116 /nfs/dbraw/zinc/88/11/16/985881116.db2.gz IQVLZWIYRZZVRM-IYBDPMFKSA-N 0 3 414.468 3.889 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000443681271 985892742 /nfs/dbraw/zinc/89/27/42/985892742.db2.gz LYDMMNWDVYRRQC-BGYRXZFFSA-N 0 3 421.541 3.756 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000443843685 986046097 /nfs/dbraw/zinc/04/60/97/986046097.db2.gz OZLOJXLAICDILK-AVRDEDQJSA-N 0 3 409.530 3.696 20 30 HHEDHN C[C@@H]1CN(CC2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)C[C@@H](C)O1 ZINC000468784773 986496488 /nfs/dbraw/zinc/49/64/88/986496488.db2.gz BQMHBONIVZQDCA-WOJBJXKFSA-N 0 3 422.573 3.906 20 30 HHEDHN CCOC(=O)[C@@](C)(CN[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000468923710 986629763 /nfs/dbraw/zinc/62/97/63/986629763.db2.gz JHSCAIVTYDRAIB-QRQCRPRQSA-N 0 3 413.905 3.649 20 30 HHEDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677693 986859446 /nfs/dbraw/zinc/85/94/46/986859446.db2.gz UOKCVIKAVGQNFQ-GOTSBHOMSA-N 0 3 406.526 3.929 20 30 HHEDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2)CC1 ZINC000469210379 986933637 /nfs/dbraw/zinc/93/36/37/986933637.db2.gz DGWMMMOVBWTNEK-UHFFFAOYSA-N 0 3 415.497 3.996 20 30 HHEDHN CN1CCN(CCCNC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000470020301 987630739 /nfs/dbraw/zinc/63/07/39/987630739.db2.gz XNDSMAMVMOSRTG-DNQXCXABSA-N 0 3 404.558 3.569 20 30 HHEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000464108242 988228803 /nfs/dbraw/zinc/22/88/03/988228803.db2.gz CEBQWNZMRNLDBW-NRFANRHFSA-N 0 3 421.541 3.682 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470674018 988697976 /nfs/dbraw/zinc/69/79/76/988697976.db2.gz JFCNVSGHFLHGAE-JOCHJYFZSA-N 0 3 421.541 3.849 20 30 HHEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000471989938 990156131 /nfs/dbraw/zinc/15/61/31/990156131.db2.gz WCIXFAYFXXNOQP-UHFFFAOYSA-N 0 3 407.558 3.931 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000465857041 990967720 /nfs/dbraw/zinc/96/77/20/990967720.db2.gz HLOHOAHYMCXDAQ-HNNXBMFYSA-N 0 3 410.356 3.556 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000466531317 991830124 /nfs/dbraw/zinc/83/01/24/991830124.db2.gz TVINHQIFKSZBEZ-RXVVDRJESA-N 0 3 408.502 3.955 20 30 HHEDHN CCN(C(=O)Nc1ncccc1OCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000466622374 991938276 /nfs/dbraw/zinc/93/82/76/991938276.db2.gz CSTFLPMUKZAOHD-FQEVSTJZSA-N 0 3 407.518 3.892 20 30 HHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1cccc(C#N)c1 ZINC000466820718 992128846 /nfs/dbraw/zinc/12/88/46/992128846.db2.gz CAHWVUNPTOEYNQ-UHFFFAOYSA-N 0 3 418.463 3.893 20 30 HHEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000466939505 992249988 /nfs/dbraw/zinc/24/99/88/992249988.db2.gz RVQHYYJPJPTAAJ-GAJHUEQPSA-N 0 3 406.505 3.892 20 30 HHEDHN Cc1nc(SCC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000467755812 993000419 /nfs/dbraw/zinc/00/04/19/993000419.db2.gz SRCLSCFNAGFJKN-MGPUTAFESA-N 0 3 408.571 3.750 20 30 HHEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000481266613 994085151 /nfs/dbraw/zinc/08/51/51/994085151.db2.gz CXVCXVCPCPAZDO-VXKWHMMOSA-N 0 3 422.598 3.978 20 30 HHEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473535591 994395387 /nfs/dbraw/zinc/39/53/87/994395387.db2.gz SUTRSWMXLMRFGE-QLOJAFMTSA-N 0 3 423.479 3.883 20 30 HHEDHN COc1cc(OC)cc(N2CC[C@@H](N[C@H]3CCCCc4cc(C#N)ccc43)C2=O)c1 ZINC000481667738 994527885 /nfs/dbraw/zinc/52/78/85/994527885.db2.gz HJUVMRHUTFIGFH-XZOQPEGZSA-N 0 3 405.498 3.738 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000473819345 994747166 /nfs/dbraw/zinc/74/71/66/994747166.db2.gz GRYSDFWZBUGGQI-KRWDZBQOSA-N 0 3 411.377 3.912 20 30 HHEDHN CC(=O)N1CCN(c2ccccc2CN[C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481928908 994800707 /nfs/dbraw/zinc/80/07/07/994800707.db2.gz SXHOMSQYPZEHON-DEOSSOPVSA-N 0 3 402.542 3.784 20 30 HHEDHN C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000483016312 995921186 /nfs/dbraw/zinc/92/11/86/995921186.db2.gz PQZOAJOLFAXPBP-SQJMNOBHSA-N 0 3 416.569 3.576 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000475335729 996076549 /nfs/dbraw/zinc/07/65/49/996076549.db2.gz XKDMWMOEEVRRIH-UHFFFAOYSA-N 0 3 422.529 3.949 20 30 HHEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(OCC(C)C)c1 ZINC000475500153 996183130 /nfs/dbraw/zinc/18/31/30/996183130.db2.gz AJKCCVFOTKPFOW-UHFFFAOYSA-N 0 3 409.530 3.806 20 30 HHEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475529627 996203899 /nfs/dbraw/zinc/20/38/99/996203899.db2.gz MGEHMXWIPXKLEH-UHFFFAOYSA-N 0 3 411.980 3.806 20 30 HHEDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)CC2(C#N)CCCCC2)CCN1Cc1ccccc1 ZINC000475789274 996372336 /nfs/dbraw/zinc/37/23/36/996372336.db2.gz KRPDMARZZSHXTB-CTNGQTDRSA-N 0 3 403.592 3.775 20 30 HHEDHN CCN1CCC[C@@H](CN(C)C(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000476013402 996541524 /nfs/dbraw/zinc/54/15/24/996541524.db2.gz QRCYIHGJZOWGAM-AWRGLXIESA-N 0 3 407.562 3.739 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1)[C@H]1CCCN(C)C1 ZINC000476157680 996642643 /nfs/dbraw/zinc/64/26/43/996642643.db2.gz NSPCYOGBUWUIDB-QFIPXVFZSA-N 0 3 418.541 3.906 20 30 HHEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000476441240 996912756 /nfs/dbraw/zinc/91/27/56/996912756.db2.gz YRYOWSAKAAPHDN-UHFFFAOYSA-N 0 3 400.567 3.615 20 30 HHEDHN CCN(CC)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000476767471 997324449 /nfs/dbraw/zinc/32/44/49/997324449.db2.gz RKVOIGIYLIQPSX-JOCHJYFZSA-N 0 3 406.530 3.938 20 30 HHEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000485324438 997737030 /nfs/dbraw/zinc/73/70/30/997737030.db2.gz WQQAZOUCUZGSBS-AOMKIAJQSA-N 0 3 417.513 3.688 20 30 HHEDHN C=CCc1cc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc(OC)c1OC ZINC000485504411 997961724 /nfs/dbraw/zinc/96/17/24/997961724.db2.gz LGEBTIUIBHTYMM-UHFFFAOYSA-N 0 3 401.551 3.592 20 30 HHEDHN COc1ccc([C@H](CN(C)C)NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000477825497 998580646 /nfs/dbraw/zinc/58/06/46/998580646.db2.gz WNQBPKKDTJWQRQ-FQEVSTJZSA-N 0 3 419.447 3.668 20 30 HHEDHN N#Cc1ccc2ncc(CN3C[C@H]4CCC[C@@]4(c4nc(-c5ccccc5)no4)C3)n2c1 ZINC000486436816 998767137 /nfs/dbraw/zinc/76/71/37/998767137.db2.gz UQDLHOSFOPXEIY-NTKDMRAZSA-N 0 3 410.481 3.810 20 30 HHEDHN CN1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000478369225 998921040 /nfs/dbraw/zinc/92/10/40/998921040.db2.gz JEYNXKPKDAUWOB-RPBOFIJWSA-N 0 3 411.505 3.965 20 30 HHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486822273 998956340 /nfs/dbraw/zinc/95/63/40/998956340.db2.gz JLKBNIUAKIVFFM-DRMXPCRNSA-N 0 3 408.546 3.903 20 30 HHEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000487889901 999305844 /nfs/dbraw/zinc/30/58/44/999305844.db2.gz APPUCJZLLTVHNK-GOSISDBHSA-N 0 3 417.307 3.754 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc(OC)c1OC ZINC000489296432 999739535 /nfs/dbraw/zinc/73/95/35/999739535.db2.gz ZKZKEDCNRQSORC-VGOFRKELSA-N 0 3 411.546 3.923 20 30 HHEDHN CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000489296120 999739601 /nfs/dbraw/zinc/73/96/01/999739601.db2.gz TULBPOLHNZQNHB-KRWDZBQOSA-N 0 3 409.534 3.729 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000489298988 999740009 /nfs/dbraw/zinc/74/00/09/999740009.db2.gz VSDYLBITUDAQRS-UHFFFAOYSA-N 0 3 422.529 3.712 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)CC1 ZINC000490227262 999915505 /nfs/dbraw/zinc/91/55/05/999915505.db2.gz NEVKWEZYALPIPJ-UHFFFAOYSA-N 0 3 407.580 3.562 20 30 HHEDHN N#Cc1ccc(Br)c(CN2CCC(CCCN3CCOCC3)CC2)c1 ZINC000492792628 1000144423 /nfs/dbraw/zinc/14/44/23/1000144423.db2.gz SSWZMHNLPWENRA-UHFFFAOYSA-N 0 3 406.368 3.645 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1C#N ZINC000494050349 1000283789 /nfs/dbraw/zinc/28/37/89/1000283789.db2.gz QIDGRWLCLCIGCK-FOIQADDNSA-N 0 3 406.555 3.945 20 30 HHEDHN COCCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1cc(Br)cs1 ZINC000494114799 1000314268 /nfs/dbraw/zinc/31/42/68/1000314268.db2.gz DCLUDWDKPNLZFP-UHFFFAOYSA-N 0 3 422.348 3.859 20 30 HHEDHN Cc1ccsc1[C@H](CO)NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000494629422 1000580606 /nfs/dbraw/zinc/58/06/06/1000580606.db2.gz GOQGRKBNKNOXGP-INIZCTEOSA-N 0 3 403.573 3.910 20 30 HHEDHN C[C@H](C1CC1)N(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000494787054 1000656025 /nfs/dbraw/zinc/65/60/25/1000656025.db2.gz YFUODYLKURIGME-VQIMIIECSA-N 0 3 410.562 3.619 20 30 HHEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000494793742 1000659863 /nfs/dbraw/zinc/65/98/63/1000659863.db2.gz WAMGRUNPBVJAMG-QYZOEREBSA-N 0 3 412.578 3.867 20 30 HHEDHN COCCn1cc(NC(=O)C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 ZINC000505438447 1000773565 /nfs/dbraw/zinc/77/35/65/1000773565.db2.gz POLUEMOWULGUAH-OAHLLOKOSA-N 0 3 401.879 3.552 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)N(C)C)cc1 ZINC000505459205 1000787845 /nfs/dbraw/zinc/78/78/45/1000787845.db2.gz YDIHROHCVLURSB-HSZRJFAPSA-N 0 3 401.514 3.648 20 30 HHEDHN CC(C)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)N1CCc2ccccc2C1 ZINC000505617571 1000936318 /nfs/dbraw/zinc/93/63/18/1000936318.db2.gz ZRMWNJDWFUZYRX-HSZRJFAPSA-N 0 3 405.517 3.928 20 30 HHEDHN CN(CCC(=O)Nc1ccccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000505784978 1001022198 /nfs/dbraw/zinc/02/21/98/1001022198.db2.gz RRSOQPIIIRTFKE-AZUAARDMSA-N 0 3 404.297 3.784 20 30 HHEDHN CCN(CC)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000505929071 1001108273 /nfs/dbraw/zinc/10/82/73/1001108273.db2.gz ZHGDNBFEPVRIHL-JOCHJYFZSA-N 0 3 409.505 3.937 20 30 HHEDHN CSc1cc2c(cc1CN1CCCN(Cc3ccc(C#N)cc3)CC1)OCCO2 ZINC000506245063 1001303806 /nfs/dbraw/zinc/30/38/06/1001303806.db2.gz GCHYBBGVMMPEEA-UHFFFAOYSA-N 0 3 409.555 3.759 20 30 HHEDHN CN1C[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H](c2ccccc2)C1 ZINC000497399772 1001338471 /nfs/dbraw/zinc/33/84/71/1001338471.db2.gz PCSAJSWILZUKGT-DQEYMECFSA-N 0 3 411.505 3.965 20 30 HHEDHN C=CCc1cc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc(OC)c1O ZINC000506721395 1001504706 /nfs/dbraw/zinc/50/47/06/1001504706.db2.gz AYHCXCBLXWDZLK-UHFFFAOYSA-N 0 3 424.497 3.709 20 30 HHEDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000498433021 1001864043 /nfs/dbraw/zinc/86/40/43/1001864043.db2.gz BUKIHZAIBZATSA-HXUWFJFHSA-N 0 3 420.557 3.548 20 30 HHEDHN CCN1CCN([C@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000498507172 1001928959 /nfs/dbraw/zinc/92/89/59/1001928959.db2.gz CLRCDYZKPZVGNZ-LJQANCHMSA-N 0 3 422.598 3.606 20 30 HHEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000507284517 1001968452 /nfs/dbraw/zinc/96/84/52/1001968452.db2.gz OFJPTQCLPIUHKG-OKILXGFUSA-N 0 3 417.497 3.612 20 30 HHEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000507791492 1002347425 /nfs/dbraw/zinc/34/74/25/1002347425.db2.gz CMDBFTWNQMARCQ-UHFFFAOYSA-N 0 3 420.513 3.623 20 30 HHEDHN Cc1ccc([C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000508392925 1002883127 /nfs/dbraw/zinc/88/31/27/1002883127.db2.gz QQLNILDNVQQGNL-HSZRJFAPSA-N 0 3 406.530 3.722 20 30 HHEDHN COc1cc(Br)ccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000499761796 1003100749 /nfs/dbraw/zinc/10/07/49/1003100749.db2.gz CQUITJARDJRDER-UHFFFAOYSA-N 0 3 416.319 3.533 20 30 HHEDHN C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000508808376 1003234962 /nfs/dbraw/zinc/23/49/62/1003234962.db2.gz GTQUHZUCSHSIKM-UHFFFAOYSA-N 0 3 410.909 3.515 20 30 HHEDHN C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C2CCCC2)CC1 ZINC000508828238 1003250555 /nfs/dbraw/zinc/25/05/55/1003250555.db2.gz OVJZIOMCJFWYJK-UHFFFAOYSA-N 0 3 403.534 3.586 20 30 HHEDHN C=CCn1c(-c2ncccc2C)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508845951 1003267376 /nfs/dbraw/zinc/26/73/76/1003267376.db2.gz DTDWTJFDJLFFLL-WOJBJXKFSA-N 0 3 424.593 3.550 20 30 HHEDHN C=CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000508954129 1003412003 /nfs/dbraw/zinc/41/20/03/1003412003.db2.gz WWIAUBLHMMOYSK-QHCPKHFHSA-N 0 3 416.573 3.941 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000509081834 1003539439 /nfs/dbraw/zinc/53/94/39/1003539439.db2.gz UVQSWSZOXIGKFM-OFVILXPXSA-N 0 3 406.526 3.857 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@](O)(C(F)(F)F)CC1)CCCC2 ZINC000512562346 1004386981 /nfs/dbraw/zinc/38/69/81/1004386981.db2.gz UFWBGZLVTLKWDU-SFHVURJKSA-N 0 3 415.481 3.606 20 30 HHEDHN CCCCN(C)C(=O)C1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000510411916 1004547362 /nfs/dbraw/zinc/54/73/62/1004547362.db2.gz LFOBTCAYOVXJCH-UHFFFAOYSA-N 0 3 407.562 3.934 20 30 HHEDHN N#Cc1cccc(F)c1CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000512787474 1004559800 /nfs/dbraw/zinc/55/98/00/1004559800.db2.gz IXVCEIBDRQGTAG-UHFFFAOYSA-N 0 3 415.896 3.553 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000513087817 1004799097 /nfs/dbraw/zinc/79/90/97/1004799097.db2.gz GOUSNTGDONHTBS-GOSISDBHSA-N 0 3 418.476 3.669 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)n1 ZINC000513107011 1004810506 /nfs/dbraw/zinc/81/05/06/1004810506.db2.gz BSFBFXWZHLIYNZ-HXUWFJFHSA-N 0 3 418.476 3.842 20 30 HHEDHN N#Cc1cccc(NC(=O)CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1 ZINC000513204037 1004859514 /nfs/dbraw/zinc/85/95/14/1004859514.db2.gz BKXKGLBOCYGHKL-FQEVSTJZSA-N 0 3 403.404 3.507 20 30 HHEDHN N#Cc1ccc(NC(=O)CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000513210860 1004862562 /nfs/dbraw/zinc/86/25/62/1004862562.db2.gz SLHFOBCWPGJBKX-HXUWFJFHSA-N 0 3 403.404 3.507 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000510912908 1004928951 /nfs/dbraw/zinc/92/89/51/1004928951.db2.gz CJVZTTNAURLMBK-UHFFFAOYSA-N 0 3 406.515 3.672 20 30 HHEDHN CCCn1nccc1C1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000502301982 1005000923 /nfs/dbraw/zinc/00/09/23/1005000923.db2.gz QASJZZIVTOQWBJ-UHFFFAOYSA-N 0 3 403.534 3.845 20 30 HHEDHN CC(C)(C#N)c1ccc(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000502398686 1005057126 /nfs/dbraw/zinc/05/71/26/1005057126.db2.gz DSECFGRCTYIYEC-UHFFFAOYSA-N 0 3 419.573 3.817 20 30 HHEDHN COc1cc(C(=O)C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)NC(C)C ZINC000513686778 1005082477 /nfs/dbraw/zinc/08/24/77/1005082477.db2.gz FYKGFAGDQPAOPP-HNNXBMFYSA-N 0 3 423.494 3.698 20 30 HHEDHN Cc1nc(COc2ccc(CN3CCC(Oc4ccc(C#N)cc4)CC3)cc2)no1 ZINC000513746032 1005106766 /nfs/dbraw/zinc/10/67/66/1005106766.db2.gz MNGUVENOUBJZNC-UHFFFAOYSA-N 0 3 404.470 3.872 20 30 HHEDHN N#Cc1ccc(CNC(=O)CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 ZINC000511579808 1005232592 /nfs/dbraw/zinc/23/25/92/1005232592.db2.gz WAJOTEVJLLXRDF-FQEVSTJZSA-N 0 3 403.404 3.814 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc(C)c1OC(F)F ZINC000503205530 1005368455 /nfs/dbraw/zinc/36/84/55/1005368455.db2.gz GEUJWRCJGIDSGG-UHFFFAOYSA-N 0 3 401.457 3.981 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000503379760 1005403069 /nfs/dbraw/zinc/40/30/69/1005403069.db2.gz RGOAAPGFILZGPL-UHFFFAOYSA-N 0 3 420.435 3.730 20 30 HHEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503465654 1005428814 /nfs/dbraw/zinc/42/88/14/1005428814.db2.gz XLDRWPSKBGUZEQ-IBGZPJMESA-N 0 3 417.962 3.744 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000504072999 1005546537 /nfs/dbraw/zinc/54/65/37/1005546537.db2.gz QXKOECNGVNHTIP-UHFFFAOYSA-N 0 3 422.529 3.949 20 30 HHEDHN CN(C)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000515386612 1006430675 /nfs/dbraw/zinc/43/06/75/1006430675.db2.gz FIDYCBHLYRVGEG-QGZVFWFLSA-N 0 3 406.408 3.924 20 30 HHEDHN N#CC(C(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1nc(-c2ccccc2)cs1 ZINC000515542304 1006525606 /nfs/dbraw/zinc/52/56/06/1006525606.db2.gz JONPQZFIFPIWNE-GOSISDBHSA-N 0 3 423.519 3.840 20 30 HHEDHN C=CCN(Cc1ccccc1F)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000515806117 1006688133 /nfs/dbraw/zinc/68/81/33/1006688133.db2.gz PADXCMFXVGBNPQ-UHFFFAOYSA-N 0 3 424.564 3.731 20 30 HHEDHN CC(C)Cn1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C(F)F ZINC000534735776 1006725585 /nfs/dbraw/zinc/72/55/85/1006725585.db2.gz QRFOIGROCJTKRA-UHFFFAOYSA-N 0 3 403.477 3.552 20 30 HHEDHN COCCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(C#N)cc1 ZINC000532524158 1006961364 /nfs/dbraw/zinc/96/13/64/1006961364.db2.gz SHNRBYMZUUCLTN-UHFFFAOYSA-N 0 3 406.442 3.813 20 30 HHEDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532557054 1006991435 /nfs/dbraw/zinc/99/14/35/1006991435.db2.gz WWQZYBOECRRTPR-UHFFFAOYSA-N 0 3 408.458 3.647 20 30 HHEDHN C[C@@H](NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000516369886 1007046484 /nfs/dbraw/zinc/04/64/84/1007046484.db2.gz UKMRCFBETIXCKK-OAQYLSRUSA-N 0 3 419.573 3.516 20 30 HHEDHN CN(C)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC000535255722 1007306973 /nfs/dbraw/zinc/30/69/73/1007306973.db2.gz MHMIPKCJMLOUIL-SFHVURJKSA-N 0 3 420.435 3.794 20 30 HHEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000517132929 1007447995 /nfs/dbraw/zinc/44/79/95/1007447995.db2.gz CPRKEHKDKQJADX-PXDATVDWSA-N 0 3 406.526 3.857 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cnc(OC)c(Cl)c1 ZINC000533091092 1007451455 /nfs/dbraw/zinc/45/14/55/1007451455.db2.gz CEEITIFIWNIBOB-UHFFFAOYSA-N 0 3 407.971 3.842 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOCc1ccc(Cl)cc1 ZINC000533158166 1007495871 /nfs/dbraw/zinc/49/58/71/1007495871.db2.gz MVBCXGHJWWFIOM-UHFFFAOYSA-N 0 3 414.937 3.502 20 30 HHEDHN CC(C)CN(CCc1ccccc1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000533249739 1007568373 /nfs/dbraw/zinc/56/83/73/1007568373.db2.gz QXUDCQQSASJATE-UHFFFAOYSA-N 0 3 401.514 3.883 20 30 HHEDHN COc1cc(CN2CCC[C@@H](CCC(N)=O)C2)ccc1OCc1cccc(C#N)c1 ZINC000533265177 1007581405 /nfs/dbraw/zinc/58/14/05/1007581405.db2.gz YSYUYAHOSLMNGB-SFHVURJKSA-N 0 3 407.514 3.623 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000539288388 1007585200 /nfs/dbraw/zinc/58/52/00/1007585200.db2.gz HEXHWCOBNCOMIZ-RBUKOAKNSA-N 0 3 417.513 3.867 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000535673169 1007693981 /nfs/dbraw/zinc/69/39/81/1007693981.db2.gz NFBZUZGJEKNHBP-UHFFFAOYSA-N 0 3 406.530 3.779 20 30 HHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000533386797 1007698728 /nfs/dbraw/zinc/69/87/28/1007698728.db2.gz WKBJSTUOICFZML-SFHVURJKSA-N 0 3 400.542 3.904 20 30 HHEDHN CC[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000539491578 1007803803 /nfs/dbraw/zinc/80/38/03/1007803803.db2.gz QUFFHVBQYUOHBZ-RBUKOAKNSA-N 0 3 416.978 3.851 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N1CCC[C@@H](C)C1 ZINC000517852838 1008013890 /nfs/dbraw/zinc/01/38/90/1008013890.db2.gz DLXKJASZNVIMON-QZTJIDSGSA-N 0 3 420.513 3.526 20 30 HHEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1 ZINC000518516594 1008334860 /nfs/dbraw/zinc/33/48/60/1008334860.db2.gz MKDQWFFZANPCQJ-OAHLLOKOSA-N 0 3 405.435 3.640 20 30 HHEDHN CC1(c2ccccc2)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000540546476 1008476186 /nfs/dbraw/zinc/47/61/86/1008476186.db2.gz PDQZLBKWCQVKRV-OAQYLSRUSA-N 0 3 422.598 3.511 20 30 HHEDHN CC[C@@H](C)N(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000540558486 1008481429 /nfs/dbraw/zinc/48/14/29/1008481429.db2.gz HMJRSMDHDKENBN-CTNGQTDRSA-N 0 3 410.587 3.758 20 30 HHEDHN C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000548957246 1008540601 /nfs/dbraw/zinc/54/06/01/1008540601.db2.gz FLULRMUSRPGRDJ-XZOQPEGZSA-N 0 3 422.621 3.611 20 30 HHEDHN C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000548957240 1008541062 /nfs/dbraw/zinc/54/10/62/1008541062.db2.gz FLULRMUSRPGRDJ-DHIUTWEWSA-N 0 3 422.621 3.611 20 30 HHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549476745 1009074876 /nfs/dbraw/zinc/07/48/76/1009074876.db2.gz HDQKDWHKLZMMEK-MFMILTCTSA-N 0 3 422.976 3.991 20 30 HHEDHN Cc1cc(COc2ccc(C(=O)C(C#N)c3ccncn3)cc2Br)no1 ZINC000546153128 1009184142 /nfs/dbraw/zinc/18/41/42/1009184142.db2.gz MEYCTEPQYVYWBI-AWEZNQCLSA-N 0 3 413.231 3.605 20 30 HHEDHN C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc2c(c1)CCCC2 ZINC000546211932 1009237029 /nfs/dbraw/zinc/23/70/29/1009237029.db2.gz NMYNABWGFXVHIH-GCJKJVERSA-N 0 3 422.598 3.687 20 30 HHEDHN CN(C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000543767945 1009339391 /nfs/dbraw/zinc/33/93/91/1009339391.db2.gz XUCDFMRHTJWNBD-GOSISDBHSA-N 0 3 418.476 3.621 20 30 HHEDHN Cc1oc(-c2ccsc2)nc1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000520234673 1009356035 /nfs/dbraw/zinc/35/60/35/1009356035.db2.gz YHNDFTQWOGIQRL-UHFFFAOYSA-N 0 3 408.527 3.716 20 30 HHEDHN C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)N(C)Cc1ccccc1 ZINC000520326948 1009458259 /nfs/dbraw/zinc/45/82/59/1009458259.db2.gz WYNXZXBKYYGJFR-SFHVURJKSA-N 0 3 400.482 3.996 20 30 HHEDHN CN(CCN1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1)Cc1ccccc1 ZINC000520592119 1009668061 /nfs/dbraw/zinc/66/80/61/1009668061.db2.gz VTZXSUAJOZQEFG-UHFFFAOYSA-N 0 3 419.573 3.769 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000546752885 1009720628 /nfs/dbraw/zinc/72/06/28/1009720628.db2.gz GNCJVXHENDAZDS-GOTSBHOMSA-N 0 3 424.520 3.691 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1)[C@@H]1CCCN(C)C1 ZINC000544399098 1010019305 /nfs/dbraw/zinc/01/93/05/1010019305.db2.gz HTLBBORGLPWSEE-LJQANCHMSA-N 0 3 410.905 3.630 20 30 HHEDHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000550678691 1010097048 /nfs/dbraw/zinc/09/70/48/1010097048.db2.gz OWYYYIYXJMQKJX-OUWQEXSBSA-N 0 3 418.875 3.852 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)CC1 ZINC000521657217 1010529205 /nfs/dbraw/zinc/52/92/05/1010529205.db2.gz XHYYYEFFYKGUPS-UHFFFAOYSA-N 0 3 417.509 3.645 20 30 HHEDHN C=C(C)COc1cc(CN[C@@H](CN2CCN(C)CC2)c2ccccc2)ccc1OC ZINC000521832877 1010645759 /nfs/dbraw/zinc/64/57/59/1010645759.db2.gz KXILFXFUAFWEAD-QHCPKHFHSA-N 0 3 409.574 3.728 20 30 HHEDHN N#Cc1cccc(C2(NCC(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)CC2)c1 ZINC000551713661 1010756764 /nfs/dbraw/zinc/75/67/64/1010756764.db2.gz HYVLAWRMOZZIEE-JOCHJYFZSA-N 0 3 422.960 3.744 20 30 HHEDHN N#CC1(c2ccc(C(=O)NCCCCN3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000540783496 1011442862 /nfs/dbraw/zinc/44/28/62/1011442862.db2.gz FWIACPMAOCWSHS-UHFFFAOYSA-N 0 3 416.569 3.570 20 30 HHEDHN COCCN1CCC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000536428285 1011647923 /nfs/dbraw/zinc/64/79/23/1011647923.db2.gz YDDOPEXVCSIOHN-UHFFFAOYSA-N 0 3 413.905 3.845 20 30 HHEDHN CN(CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)Cc1ccccc1 ZINC000541100993 1011747808 /nfs/dbraw/zinc/74/78/08/1011747808.db2.gz RUAJTSLMBJMORV-UHFFFAOYSA-N 0 3 408.893 3.651 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nnc(C2CC2)n1C1CC1 ZINC000541172253 1011844671 /nfs/dbraw/zinc/84/46/71/1011844671.db2.gz LQGQMVMMQFTJBY-UHFFFAOYSA-N 0 3 413.595 3.589 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000536942841 1012239040 /nfs/dbraw/zinc/23/90/40/1012239040.db2.gz XBUVUSLTBZHVGZ-UXHICEINSA-N 0 3 408.949 3.564 20 30 HHEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537108448 1012478767 /nfs/dbraw/zinc/47/87/67/1012478767.db2.gz UHBAWZVQZCBOKJ-MSOLQXFVSA-N 0 3 423.536 3.517 20 30 HHEDHN C[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000541690131 1012531957 /nfs/dbraw/zinc/53/19/57/1012531957.db2.gz FREBKFWVYONORI-VVBPWWLESA-N 0 3 416.443 3.716 20 30 HHEDHN CC(C)(C)N(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000537165516 1012567331 /nfs/dbraw/zinc/56/73/31/1012567331.db2.gz JBKXJKUGYTWXGQ-FQEVSTJZSA-N 0 3 410.587 3.758 20 30 HHEDHN N#Cc1ccc(NC2CC2)c(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000552576671 1012583426 /nfs/dbraw/zinc/58/34/26/1012583426.db2.gz LBJPUQPCFKLYOK-UHFFFAOYSA-N 0 3 403.530 3.673 20 30 HHEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537369567 1012842498 /nfs/dbraw/zinc/84/24/98/1012842498.db2.gz SZQJHOBFHCHGBG-OALUTQOASA-N 0 3 406.452 3.929 20 30 HHEDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542030161 1012926616 /nfs/dbraw/zinc/92/66/16/1012926616.db2.gz NNRBGOPWORVXAW-UHFFFAOYSA-N 0 3 422.920 3.993 20 30 HHEDHN CN(C)[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccccc1 ZINC000542034894 1012933786 /nfs/dbraw/zinc/93/37/86/1012933786.db2.gz OHAFIFFRHMGOCL-IBGZPJMESA-N 0 3 408.893 3.822 20 30 HHEDHN N#Cc1ccccc1N1CCCN(CCOc2cccc(Br)c2)CC1 ZINC000524156347 1012946324 /nfs/dbraw/zinc/94/63/24/1012946324.db2.gz XTMNPELMNBPNEW-UHFFFAOYSA-N 0 3 400.320 3.912 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)OC)c1ccsc1 ZINC000537511130 1013022772 /nfs/dbraw/zinc/02/27/72/1013022772.db2.gz JFAKNUWZBCFAID-KRWDZBQOSA-N 0 3 406.577 3.560 20 30 HHEDHN C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001212038840 1071923816 /nfs/dbraw/zinc/92/38/16/1071923816.db2.gz IOWSPDKLYQXDPM-VFNWGFHPSA-N 0 3 411.465 3.509 20 30 HHEDHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001212054241 1071936529 /nfs/dbraw/zinc/93/65/29/1071936529.db2.gz XVSPWZXWVKZXPL-GKCIPKSASA-N 0 3 403.486 3.798 20 30 HHEDHN COc1ccc2c(c1)[C@@H](N(CCC(=O)N(C)CCC#N)Cc1ccccc1)CCO2 ZINC000536740639 1072195259 /nfs/dbraw/zinc/19/52/59/1072195259.db2.gz FJJDWJPPEIRISI-QFIPXVFZSA-N 0 3 407.514 3.783 20 30 HHEDHN CCN1CC[C@@H](NCC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555132873 1073184176 /nfs/dbraw/zinc/18/41/76/1073184176.db2.gz NHZZEQVLPIGDEP-AEFFLSMTSA-N 0 3 406.914 3.776 20 30 HHEDHN CCN1CC[C@H](NCC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555132876 1073184242 /nfs/dbraw/zinc/18/42/42/1073184242.db2.gz NHZZEQVLPIGDEP-WMZOPIPTSA-N 0 3 406.914 3.776 20 30 HHEDHN CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)N(C)C)cc1 ZINC000588780335 1073206298 /nfs/dbraw/zinc/20/62/98/1073206298.db2.gz VSMSULCDKKLNMU-DNQXCXABSA-N 0 3 420.557 3.733 20 30 HHEDHN C=C(C)Cn1c(COCC)nnc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000555285582 1073308906 /nfs/dbraw/zinc/30/89/06/1073308906.db2.gz QAOMAJWVXSDAAN-UHFFFAOYSA-N 0 3 405.546 3.866 20 30 HHEDHN COc1cc(Br)ccc1[C@H](C)NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000555316279 1073329337 /nfs/dbraw/zinc/32/93/37/1073329337.db2.gz LOVOSCMOEOJZDZ-WMLDXEAASA-N 0 3 419.319 3.614 20 30 HHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(OCC(F)F)n1 ZINC000760970122 1074758112 /nfs/dbraw/zinc/75/81/12/1074758112.db2.gz SPHRNBZKIVKCGC-JTQLQIEISA-N 0 3 414.195 3.993 20 30 HHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625239 719067275 /nfs/dbraw/zinc/06/72/75/719067275.db2.gz NBRKZSAAPFYFMV-DOTOQJQBSA-N 0 3 417.966 3.761 20 30 HHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625239 719067278 /nfs/dbraw/zinc/06/72/78/719067278.db2.gz NBRKZSAAPFYFMV-DOTOQJQBSA-N 0 3 417.966 3.761 20 30 HHEDHN Cc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164897847 721513694 /nfs/dbraw/zinc/51/36/94/721513694.db2.gz GNZKIZBDXJVBIU-FUHWJXTLSA-N 0 3 400.885 3.705 20 30 HHEDHN N#Cc1cc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)nc2ccc([N+](=O)[O-])cc12 ZINC000302774149 971314015 /nfs/dbraw/zinc/31/40/15/971314015.db2.gz DLBKJIOGJDVBMN-HXUWFJFHSA-N 0 3 417.469 3.718 20 30 HHEDHN C=CCN1CCC(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000553288962 1013245680 /nfs/dbraw/zinc/24/56/80/1013245680.db2.gz WJWFGXFORLTYGX-UHFFFAOYSA-N 0 3 400.954 3.585 20 30 HHEDHN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN[C@@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000542308479 1013266247 /nfs/dbraw/zinc/26/62/47/1013266247.db2.gz DIPPXUCARAPTGZ-UPVQGACJSA-N 0 3 424.520 3.650 20 30 HHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000553452518 1013365284 /nfs/dbraw/zinc/36/52/84/1013365284.db2.gz VOZYFHRDAWYSQH-UHFFFAOYSA-N 0 3 409.578 3.581 20 30 HHEDHN N#Cc1ccc(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC000048745109 964050376 /nfs/dbraw/zinc/05/03/76/964050376.db2.gz KAPAAJCETOEGJB-UHFFFAOYSA-N 0 3 401.489 3.709 20 30 HHEDHN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000048853915 964079025 /nfs/dbraw/zinc/07/90/25/964079025.db2.gz HEQKYWZGBHOQAF-LJQANCHMSA-N 0 3 407.495 3.754 20 30 HHEDHN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)C(C#N)c3cc(C)nc(C)n3)c12 ZINC000049405623 964168464 /nfs/dbraw/zinc/16/84/64/964168464.db2.gz DWEWOLLORCFGLH-HNNXBMFYSA-N 0 3 402.483 3.902 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1C#N ZINC000027064369 964769732 /nfs/dbraw/zinc/76/97/32/964769732.db2.gz WSSAPODQBQAHOM-UHFFFAOYSA-N 0 3 406.555 3.947 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000052485627 964916069 /nfs/dbraw/zinc/91/60/69/964916069.db2.gz KYYSDVQZIUPGQW-IPMKNSEASA-N 0 3 419.639 3.526 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N(C)C1CCC(C)CC1 ZINC000052485699 964916590 /nfs/dbraw/zinc/91/65/90/964916590.db2.gz BMMHXIPJAMFTAC-UHFFFAOYSA-N 0 3 419.639 3.622 20 30 HHEDHN COc1cc([C@H](C)NCCSCc2ccccc2C#N)ccc1S(C)(=O)=O ZINC000537974097 1013550949 /nfs/dbraw/zinc/55/09/49/1013550949.db2.gz NATZLPWAKQPWSV-HNNXBMFYSA-N 0 3 404.557 3.554 20 30 HHEDHN Cc1nc(SCC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c(C#N)c(C)c1C ZINC000056168338 966243616 /nfs/dbraw/zinc/24/36/16/966243616.db2.gz KCVYICOZXQMWKF-ICSRJNTNSA-N 0 3 408.571 3.922 20 30 HHEDHN N#Cc1cccc(OCCN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 ZINC000538117957 1013678924 /nfs/dbraw/zinc/67/89/24/1013678924.db2.gz MQGMEOGGNSVMBV-HXUWFJFHSA-N 0 3 417.431 3.909 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000042813675 966853000 /nfs/dbraw/zinc/85/30/00/966853000.db2.gz YUBWYBQMOZOSHJ-DEOSSOPVSA-N 0 3 417.557 3.617 20 30 HHEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000063786824 966956856 /nfs/dbraw/zinc/95/68/56/966956856.db2.gz HSAAYJNNULDTLQ-UHFFFAOYSA-N 0 3 420.557 3.553 20 30 HHEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3ccc(C(C)C)cc3)C(C)C)CC2)o1 ZINC000538141182 1013703120 /nfs/dbraw/zinc/70/31/20/1013703120.db2.gz KYGAZEQZRLCKMQ-HSZRJFAPSA-N 0 3 423.561 3.614 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(Cc2ccccc2)n1 ZINC000044566472 967241660 /nfs/dbraw/zinc/24/16/60/967241660.db2.gz MBOGZRQXHRLNDI-UHFFFAOYSA-N 0 3 404.539 3.810 20 30 HHEDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047234332 968097880 /nfs/dbraw/zinc/09/78/80/968097880.db2.gz LZFRYEBGBCRTBM-INIZCTEOSA-N 0 3 412.515 3.537 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccncc2)cc1 ZINC000047287149 968122707 /nfs/dbraw/zinc/12/27/07/968122707.db2.gz RSZVNUVJWNVNKC-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN CCN(CC)S(=O)(=O)c1cccc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000047376111 968163470 /nfs/dbraw/zinc/16/34/70/968163470.db2.gz FKONHUBNCWIAQE-IBGZPJMESA-N 0 3 407.495 3.755 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)n2)c(Cl)c1 ZINC000542955830 1013786181 /nfs/dbraw/zinc/78/61/81/1013786181.db2.gz GHKPGSKDAHXDFQ-SFHVURJKSA-N 0 3 420.904 3.793 20 30 HHEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n(Cc2ccccc2)n1 ZINC000065798629 968649411 /nfs/dbraw/zinc/64/94/11/968649411.db2.gz ILKINUHSUMKOSR-UHFFFAOYSA-N 0 3 416.529 3.707 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000065930173 968720811 /nfs/dbraw/zinc/72/08/11/968720811.db2.gz HLVBDIFILUJZEO-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000108933975 969436582 /nfs/dbraw/zinc/43/65/82/969436582.db2.gz LZOXUPRUECGDCE-SFHVURJKSA-N 0 3 404.514 3.853 20 30 HHEDHN CCN(CC)[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000111072460 969772566 /nfs/dbraw/zinc/77/25/66/969772566.db2.gz PCDQXWRGEKXPPR-XMMPIXPASA-N 0 3 404.558 3.676 20 30 HHEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1nc(-c2ccccc2)oc1C ZINC000113140465 969824918 /nfs/dbraw/zinc/82/49/18/969824918.db2.gz FXZWSHHGXOGQOV-KRWDZBQOSA-N 0 3 403.438 3.939 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000195702104 969968359 /nfs/dbraw/zinc/96/83/59/969968359.db2.gz PFKKRRWWNUCHLB-QHCPKHFHSA-N 0 3 422.529 3.712 20 30 HHEDHN C=CCOc1ccc(CNCCNC(=O)c2cccc(Br)c2)cc1OC ZINC000237174265 970235658 /nfs/dbraw/zinc/23/56/58/970235658.db2.gz FWXBGWHCWXGBHL-UHFFFAOYSA-N 0 3 419.319 3.542 20 30 HHEDHN N#CCCn1cc(CNCc2cccc(CN3CCOCC3)c2)c(-c2ccccc2)n1 ZINC000237832354 970377819 /nfs/dbraw/zinc/37/78/19/970377819.db2.gz TYQGKHFPBYBVRM-UHFFFAOYSA-N 0 3 415.541 3.586 20 30 HHEDHN C#CCOc1ccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000238043975 970425474 /nfs/dbraw/zinc/42/54/74/970425474.db2.gz XPIBLUUKBUNLAC-UHFFFAOYSA-N 0 3 400.482 3.705 20 30 HHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000426176450 974287029 /nfs/dbraw/zinc/28/70/29/974287029.db2.gz MWHLXKCODAOJNV-CABCVRRESA-N 0 3 417.575 3.737 20 30 HHEDHN Clc1ccc(C#CCN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000427017495 974828990 /nfs/dbraw/zinc/82/89/90/974828990.db2.gz WCJURSSDJCWJHL-JOCHJYFZSA-N 0 3 408.977 3.621 20 30 HHEDHN N#CCCn1ncc(C(=O)NCC2(N3CCSCC3)CCCC2)c1-c1ccccc1 ZINC000428195511 975520608 /nfs/dbraw/zinc/52/06/08/975520608.db2.gz OGOSHAILQXVPCM-UHFFFAOYSA-N 0 3 423.586 3.555 20 30 HHEDHN C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)N(C)Cc1ccccc1 ZINC000428709542 976000268 /nfs/dbraw/zinc/00/02/68/976000268.db2.gz MHKLUHCNPMGFDH-IBGZPJMESA-N 0 3 401.514 3.714 20 30 HHEDHN CC(C)Oc1ccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1C#N ZINC000429619885 976906413 /nfs/dbraw/zinc/90/64/13/976906413.db2.gz IQHBXAAICBIFDU-JOCHJYFZSA-N 0 3 422.529 3.758 20 30 HHEDHN CN(C)CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CCCC1 ZINC000429794898 977072702 /nfs/dbraw/zinc/07/27/02/977072702.db2.gz WSEQHZPYDVVALJ-UHFFFAOYSA-N 0 3 420.513 3.622 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000431783423 978510088 /nfs/dbraw/zinc/51/00/88/978510088.db2.gz HZEOCERPMJOOTN-UHFFFAOYSA-N 0 3 419.447 3.632 20 30 HHEDHN C[C@H](c1ccccc1)N1CCN(C(=O)CN[C@H](CCCC#N)c2ccccc2)CC1 ZINC000433012488 979041424 /nfs/dbraw/zinc/04/14/24/979041424.db2.gz TWPMRMURKGILQE-ZJSXRUAMSA-N 0 3 404.558 3.917 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000433872709 979640617 /nfs/dbraw/zinc/64/06/17/979640617.db2.gz ADJFPFVZMDJULO-UHFFFAOYSA-N 0 3 415.497 3.690 20 30 HHEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC(c3ncc4n3CCCC4)CC2)c1C ZINC000434687331 980339888 /nfs/dbraw/zinc/33/98/88/980339888.db2.gz DCCMZTJGUMYQJI-UHFFFAOYSA-N 0 3 419.573 3.963 20 30 HHEDHN Cc1cc(NC(=O)COc2ccccc2C#N)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435265205 980749137 /nfs/dbraw/zinc/74/91/37/980749137.db2.gz FGCVLEUXTFCRLF-OAQYLSRUSA-N 0 3 415.497 3.528 20 30 HHEDHN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435370224 980819790 /nfs/dbraw/zinc/81/97/90/980819790.db2.gz HZARUFNQRAYRKG-WIYYLYMNSA-N 0 3 415.497 3.608 20 30 HHEDHN CC(C)Oc1ccc(NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1C#N ZINC000435553595 980938364 /nfs/dbraw/zinc/93/83/64/980938364.db2.gz HOPMLUXOZHLZQV-UHFFFAOYSA-N 0 3 421.545 3.911 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000460673871 982439546 /nfs/dbraw/zinc/43/95/46/982439546.db2.gz RDQFLWUOJAWUQH-SFHVURJKSA-N 0 3 419.639 3.622 20 30 HHEDHN N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000437895757 982445965 /nfs/dbraw/zinc/44/59/65/982445965.db2.gz NFIJNNAVTQGVJB-OAQYLSRUSA-N 0 3 402.498 3.810 20 30 HHEDHN CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO1 ZINC000461144751 982849789 /nfs/dbraw/zinc/84/97/89/982849789.db2.gz FIEJRBGZMPAIHB-KNQAVFIVSA-N 0 3 422.577 3.555 20 30 HHEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000438643196 982961641 /nfs/dbraw/zinc/96/16/41/982961641.db2.gz DPTDKUUFOONMKJ-GASCZTMLSA-N 0 3 424.467 3.930 20 30 HHEDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000439099151 983249614 /nfs/dbraw/zinc/24/96/14/983249614.db2.gz MURRMNQSTQUILF-UHFFFAOYSA-N 0 3 400.866 3.632 20 30 HHEDHN C=CCn1c(SCC(=O)N(CCN(C)C)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000439616575 983472634 /nfs/dbraw/zinc/47/26/34/983472634.db2.gz SAZANJCQXOKDQK-UHFFFAOYSA-N 0 3 421.998 3.675 20 30 HHEDHN N#Cc1ccccc1-c1ccccc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000440515723 983782641 /nfs/dbraw/zinc/78/26/41/983782641.db2.gz FSSWJFZXOKDWFI-AREMUKBSSA-N 0 3 411.505 3.592 20 30 HHEDHN CCC[C@@H]1CN(CCOc2cccc(C#N)c2)CCN1CCOc1cccc(C#N)c1 ZINC000440571046 983799518 /nfs/dbraw/zinc/79/95/18/983799518.db2.gz KXVMAPAMKMNIGG-HSZRJFAPSA-N 0 3 418.541 3.674 20 30 HHEDHN CC(C)[C@@H](CNc1c(C#N)cnc2c(Br)cccc21)N1CCN(C)CC1 ZINC000440673112 983847448 /nfs/dbraw/zinc/84/74/48/983847448.db2.gz DOIZIJYPPRVIGS-GOSISDBHSA-N 0 3 416.367 3.553 20 30 HHEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000441276611 984154320 /nfs/dbraw/zinc/15/43/20/984154320.db2.gz KVJYPGACQITRQK-SFTDATJTSA-N 0 3 412.509 3.650 20 30 HHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000441695279 984400723 /nfs/dbraw/zinc/40/07/23/984400723.db2.gz XKPUJTCTMPBAMH-WWMYMODYSA-N 0 3 424.570 3.684 20 30 HHEDHN Cc1cccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1C#N ZINC000441976242 984576223 /nfs/dbraw/zinc/57/62/23/984576223.db2.gz LKPGKUNAZPRFEV-QHCPKHFHSA-N 0 3 409.555 3.544 20 30 HHEDHN Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1C#N ZINC000441981269 984578467 /nfs/dbraw/zinc/57/84/67/984578467.db2.gz AJFLVIPRPYNLRQ-RBBKRZOGSA-N 0 3 409.555 3.542 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)CC1 ZINC000442273226 984784578 /nfs/dbraw/zinc/78/45/78/984784578.db2.gz PNZVXWBLSLSTBR-UHFFFAOYSA-N 0 3 415.603 3.958 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)CC1 ZINC000442287164 984791671 /nfs/dbraw/zinc/79/16/71/984791671.db2.gz WKFVBXLAVIULSP-UHFFFAOYSA-N 0 3 401.576 3.568 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)CC1 ZINC000442290374 984793888 /nfs/dbraw/zinc/79/38/88/984793888.db2.gz AMZWVGRCLVLEHC-UHFFFAOYSA-N 0 3 415.896 3.851 20 30 HHEDHN Cc1cc(=O)c(C(=O)C(C#N)c2nc3ccccc3[nH]2)nn1-c1cccc(Cl)c1 ZINC000442611361 985090561 /nfs/dbraw/zinc/09/05/61/985090561.db2.gz RYRKGLAOICITFR-HNNXBMFYSA-N 0 3 403.829 3.561 20 30 HHEDHN Cc1cc(=O)c(C(=O)C(C#N)c2nc3ccccc3n2C)nn1-c1cccc(Cl)c1 ZINC000442620525 985096774 /nfs/dbraw/zinc/09/67/74/985096774.db2.gz SIKZOPUALDXSMF-MRXNPFEDSA-N 0 3 417.856 3.571 20 30 HHEDHN CC[C@]1(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)OCCc2ccccc21 ZINC000462158279 985132501 /nfs/dbraw/zinc/13/25/01/985132501.db2.gz VPCQGSCZQMXECK-RUZDIDTESA-N 0 3 420.557 3.510 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000462252690 985236631 /nfs/dbraw/zinc/23/66/31/985236631.db2.gz CJBRSTZKMOXECI-RDTXWAMCSA-N 0 3 400.429 3.802 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000468313232 986009641 /nfs/dbraw/zinc/00/96/41/986009641.db2.gz RBENUNJPRXZKQW-UHFFFAOYSA-N 0 3 413.525 3.894 20 30 HHEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N)N(C)C ZINC000443845574 986047633 /nfs/dbraw/zinc/04/76/33/986047633.db2.gz SGZMMJINGTXBIM-LAUBAEHRSA-N 0 3 424.570 3.747 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000463121304 986085786 /nfs/dbraw/zinc/08/57/86/986085786.db2.gz VTBBLJWXBWMXPE-UHFFFAOYSA-N 0 3 424.520 3.886 20 30 HHEDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)ccc1C#N ZINC000443902046 986099932 /nfs/dbraw/zinc/09/99/32/986099932.db2.gz QOPSEVMAQXLRBQ-GMAHTHKFSA-N 0 3 409.555 3.542 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000463263358 986230725 /nfs/dbraw/zinc/23/07/25/986230725.db2.gz VILUMPIUNQZYQP-PKTZIBPZSA-N 0 3 406.530 3.552 20 30 HHEDHN C[C@H]1CN(CC2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)C[C@H](C)O1 ZINC000468784695 986496518 /nfs/dbraw/zinc/49/65/18/986496518.db2.gz BQMHBONIVZQDCA-PMACEKPBSA-N 0 3 422.573 3.906 20 30 HHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000444459248 986641736 /nfs/dbraw/zinc/64/17/36/986641736.db2.gz TZXOGUIBDQDJAC-OAHLLOKOSA-N 0 3 417.446 3.805 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)c(F)cc1F ZINC000469092156 986806062 /nfs/dbraw/zinc/80/60/62/986806062.db2.gz YJWOSKXLKIDTAP-UHFFFAOYSA-N 0 3 422.273 3.803 20 30 HHEDHN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000444635368 986821964 /nfs/dbraw/zinc/82/19/64/986821964.db2.gz ASECEQVWTHIYSI-FQEVSTJZSA-N 0 3 424.545 3.849 20 30 HHEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469161183 986885342 /nfs/dbraw/zinc/88/53/42/986885342.db2.gz ZQDPKLADTIOSQP-OAQYLSRUSA-N 0 3 415.497 3.735 20 30 HHEDHN CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C1CCN(Cc2ccccc2)CC1 ZINC000469174694 986899745 /nfs/dbraw/zinc/89/97/45/986899745.db2.gz XERVORLDFWCRLY-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN C=CC[C@H]1N(CC(=O)NCC(=O)Nc2ccccc2Br)CCCC1(C)C ZINC000444778650 986937115 /nfs/dbraw/zinc/93/71/15/986937115.db2.gz WYWRRKHZIVUGNK-QGZVFWFLSA-N 0 3 422.367 3.571 20 30 HHEDHN COC(=O)[C@](C)(CN[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccccc1 ZINC000469216240 986938720 /nfs/dbraw/zinc/93/87/20/986938720.db2.gz HFFVQIIXKNKUPS-NBGIEHNGSA-N 0 3 421.541 3.659 20 30 HHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000469437417 987124022 /nfs/dbraw/zinc/12/40/22/987124022.db2.gz YCGYCFRIHXSYEZ-RPWUZVMVSA-N 0 3 420.557 3.798 20 30 HHEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000469584936 987250800 /nfs/dbraw/zinc/25/08/00/987250800.db2.gz MEVOEFXHMBBZQA-KRWDZBQOSA-N 0 3 411.525 3.811 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cnn(C)c1C(F)(F)F ZINC000464784446 989013877 /nfs/dbraw/zinc/01/38/77/989013877.db2.gz XWEWDPMIFOEZMR-UHFFFAOYSA-N 0 3 414.501 3.537 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(Br)s1 ZINC000471198691 989336812 /nfs/dbraw/zinc/33/68/12/989336812.db2.gz HIXGYXSETDJIDN-UHFFFAOYSA-N 0 3 406.349 3.895 20 30 HHEDHN CC1CCN([C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000471791078 989977530 /nfs/dbraw/zinc/97/75/30/989977530.db2.gz UXBVSWYSHXPMGM-BJKOFHAPSA-N 0 3 400.526 3.830 20 30 HHEDHN C=CCN1CCC(NC(=O)N(CC)CCOc2ccc(Br)cc2)CC1 ZINC000465856879 990967702 /nfs/dbraw/zinc/96/77/02/990967702.db2.gz RJMVEWOPBNJJOS-UHFFFAOYSA-N 0 3 410.356 3.510 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000467046129 992354909 /nfs/dbraw/zinc/35/49/09/992354909.db2.gz MVWUXWCOEMZBKZ-WIYYLYMNSA-N 0 3 407.514 3.505 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000467541912 992820909 /nfs/dbraw/zinc/82/09/09/992820909.db2.gz HKUGCRXEBJONLG-UHFFFAOYSA-N 0 3 406.530 3.544 20 30 HHEDHN Cc1nc(SCC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000467755813 993001057 /nfs/dbraw/zinc/00/10/57/993001057.db2.gz SRCLSCFNAGFJKN-QRWLVFNGSA-N 0 3 408.571 3.750 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000473808911 994735157 /nfs/dbraw/zinc/73/51/57/994735157.db2.gz PMDJJHLPJAUJRO-KRWDZBQOSA-N 0 3 411.377 3.912 20 30 HHEDHN Cc1cc(C)n(-c2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2F)n1 ZINC000482476587 995481814 /nfs/dbraw/zinc/48/18/14/995481814.db2.gz IUVBECSXFKOCLZ-UHFFFAOYSA-N 0 3 419.504 3.704 20 30 HHEDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482495150 995505636 /nfs/dbraw/zinc/50/56/36/995505636.db2.gz MTBYOFSOTIBMTK-GGAORHGYSA-N 0 3 408.498 3.680 20 30 HHEDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482495369 995505770 /nfs/dbraw/zinc/50/57/70/995505770.db2.gz IJXOHDWYAJJCHI-GGAORHGYSA-N 0 3 408.498 3.680 20 30 HHEDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482495152 995505806 /nfs/dbraw/zinc/50/58/06/995505806.db2.gz MTBYOFSOTIBMTK-JTHBVZDNSA-N 0 3 408.498 3.680 20 30 HHEDHN N#CC[C@@H](CC(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000474956001 995824504 /nfs/dbraw/zinc/82/45/04/995824504.db2.gz RZDZBDALGSWKIN-QHCPKHFHSA-N 0 3 404.558 3.793 20 30 HHEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000483406823 996157434 /nfs/dbraw/zinc/15/74/34/996157434.db2.gz MOAKVCAXBOYFBD-SJLPKXTDSA-N 0 3 414.493 3.922 20 30 HHEDHN C[C@@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000484338554 996713060 /nfs/dbraw/zinc/71/30/60/996713060.db2.gz WHYJBNVLUYYZEQ-BWKNWUBXSA-N 0 3 416.569 3.576 20 30 HHEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476315517 996751780 /nfs/dbraw/zinc/75/17/80/996751780.db2.gz SZXCUCDWBXOBRK-NRFANRHFSA-N 0 3 403.592 3.634 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000476432282 996903055 /nfs/dbraw/zinc/90/30/55/996903055.db2.gz RZVHMSGLIUMCRI-RTBURBONSA-N 0 3 403.592 3.536 20 30 HHEDHN CN(C)C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 ZINC000476495067 996981096 /nfs/dbraw/zinc/98/10/96/996981096.db2.gz XPTVBMDDZUZRIH-HRTMPFAESA-N 0 3 406.530 3.850 20 30 HHEDHN CN(C)[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)Cc1ccccc1 ZINC000476570164 997067502 /nfs/dbraw/zinc/06/75/02/997067502.db2.gz RHAYRWUMMFNCTA-KOENEWCDSA-N 0 3 420.557 3.720 20 30 HHEDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000477076878 997729193 /nfs/dbraw/zinc/72/91/93/997729193.db2.gz POYMVKJXRIYFRM-PGGUUEOZSA-N 0 3 403.935 3.971 20 30 HHEDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000477131852 997786919 /nfs/dbraw/zinc/78/69/19/997786919.db2.gz HMSJUDJVWKJWOS-NRFANRHFSA-N 0 3 422.529 3.564 20 30 HHEDHN CCN(C[C@H]1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1)CC(F)(F)F ZINC000477713450 998435218 /nfs/dbraw/zinc/43/52/18/998435218.db2.gz DPEGGOFGOHQRHK-AGYKMIKPSA-N 0 3 416.532 3.512 20 30 HHEDHN C[C@H]1CN(CCCOc2cccc(C#N)c2)CCN1CCCOc1cccc(C#N)c1 ZINC000477759217 998506344 /nfs/dbraw/zinc/50/63/44/998506344.db2.gz JUTNDQBFVKGMNH-NRFANRHFSA-N 0 3 418.541 3.674 20 30 HHEDHN Cn1cc(CN[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478272388 998856494 /nfs/dbraw/zinc/85/64/94/998856494.db2.gz HIZREWTXJYGRMK-QGZVFWFLSA-N 0 3 423.879 3.646 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486828253 998959803 /nfs/dbraw/zinc/95/98/03/998959803.db2.gz UARQLPWPEHWMPU-DNRQZRRGSA-N 0 3 423.557 3.544 20 30 HHEDHN CC(C)c1ccccc1OCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000479170073 999307525 /nfs/dbraw/zinc/30/75/25/999307525.db2.gz UBDWTWOPRVCXHG-UHFFFAOYSA-N 0 3 408.546 3.834 20 30 HHEDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487967633 999330622 /nfs/dbraw/zinc/33/06/22/999330622.db2.gz LNZFUPTXJNRSGF-UHFFFAOYSA-N 0 3 401.308 3.916 20 30 HHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000488305538 999432064 /nfs/dbraw/zinc/43/20/64/999432064.db2.gz FEEKTBHFCZQTOE-SJORKVTESA-N 0 3 402.564 3.655 20 30 HHEDHN C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000489792619 999839219 /nfs/dbraw/zinc/83/92/19/999839219.db2.gz BEXSRPKLVARURF-UHFFFAOYSA-N 0 3 407.558 3.584 20 30 HHEDHN Cn1cc(CNCc2ccc(NC(=O)CCCOc3ccccc3)cc2)cc1C#N ZINC000480643034 999849308 /nfs/dbraw/zinc/84/93/08/999849308.db2.gz KWYWPVIEKVCGFG-UHFFFAOYSA-N 0 3 402.498 3.984 20 30 HHEDHN C=CCN1CCC(N[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491043199 1000038676 /nfs/dbraw/zinc/03/86/76/1000038676.db2.gz ZUVYTKQSNUKMBH-XMMPIXPASA-N 0 3 412.599 3.982 20 30 HHEDHN Cc1ccsc1[C@@H](CO)NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000494629423 1000580875 /nfs/dbraw/zinc/58/08/75/1000580875.db2.gz GOQGRKBNKNOXGP-MRXNPFEDSA-N 0 3 403.573 3.910 20 30 HHEDHN CC(C)(NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)c1ccccc1 ZINC000494819449 1000676598 /nfs/dbraw/zinc/67/65/98/1000676598.db2.gz NVUZIBPMFKWOCY-IBGZPJMESA-N 0 3 420.557 3.881 20 30 HHEDHN CC(C)(NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)c1ccccc1 ZINC000494819450 1000676637 /nfs/dbraw/zinc/67/66/37/1000676637.db2.gz NVUZIBPMFKWOCY-LJQANCHMSA-N 0 3 420.557 3.881 20 30 HHEDHN CC1CCN([C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000505799404 1001032612 /nfs/dbraw/zinc/03/26/12/1001032612.db2.gz QBONUYMFGZUNRX-RDPSFJRHSA-N 0 3 413.562 3.837 20 30 HHEDHN CN1C[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H](c2ccccc2)C1 ZINC000497415502 1001350744 /nfs/dbraw/zinc/35/07/44/1001350744.db2.gz HILFWNQMAQCSOJ-RPBOFIJWSA-N 0 3 411.505 3.965 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)CC1 ZINC000506696221 1001496618 /nfs/dbraw/zinc/49/66/18/1001496618.db2.gz KCEBDJSRHAOKAL-SFHVURJKSA-N 0 3 421.545 3.735 20 30 HHEDHN N#Cc1ccc(CSCC(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000507124744 1001823103 /nfs/dbraw/zinc/82/31/03/1001823103.db2.gz DUCFPEYTMZOMJE-UHFFFAOYSA-N 0 3 407.583 3.959 20 30 HHEDHN COc1ccc(-c2nc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cs2)cc1 ZINC000499052739 1002434622 /nfs/dbraw/zinc/43/46/22/1002434622.db2.gz KKYJUFWOVLAIGT-UHFFFAOYSA-N 0 3 420.538 3.894 20 30 HHEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000508064951 1002586450 /nfs/dbraw/zinc/58/64/50/1002586450.db2.gz RGNVLLNWVWBESL-UHFFFAOYSA-N 0 3 422.577 3.839 20 30 HHEDHN C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC2CC2)CC1 ZINC000508480251 1002964429 /nfs/dbraw/zinc/96/44/29/1002964429.db2.gz DUSASMGEHYNOST-UHFFFAOYSA-N 0 3 420.330 3.565 20 30 HHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000508569557 1003035310 /nfs/dbraw/zinc/03/53/10/1003035310.db2.gz OGWBKRDXAJVWHZ-UHFFFAOYSA-N 0 3 408.454 3.748 20 30 HHEDHN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000508834446 1003256334 /nfs/dbraw/zinc/25/63/34/1003256334.db2.gz UQQKUUSTBJLZJY-OAHLLOKOSA-N 0 3 422.360 3.596 20 30 HHEDHN C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000508834527 1003256393 /nfs/dbraw/zinc/25/63/93/1003256393.db2.gz VDGWKXWTVJSESM-UHFFFAOYSA-N 0 3 417.557 3.509 20 30 HHEDHN Cn1cc(CN2CCCN(c3ccccc3C#N)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509128330 1003573518 /nfs/dbraw/zinc/57/35/18/1003573518.db2.gz VWPYPRLLQMSLJW-UHFFFAOYSA-N 0 3 416.485 3.579 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000512494414 1004342961 /nfs/dbraw/zinc/34/29/61/1004342961.db2.gz PCYBYWFHGXRBAB-UHFFFAOYSA-N 0 3 419.916 3.873 20 30 HHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000512511796 1004352188 /nfs/dbraw/zinc/35/21/88/1004352188.db2.gz LWRLFNIZESDBTJ-XUZZJYLKSA-N 0 3 423.605 3.621 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@H](CO)c1cccc(Br)c1 ZINC000501424781 1004412703 /nfs/dbraw/zinc/41/27/03/1004412703.db2.gz JVBAHXRJWFAYIX-VQTJNVASSA-N 0 3 420.347 3.583 20 30 HHEDHN CCOCc1cc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC ZINC000512622471 1004436516 /nfs/dbraw/zinc/43/65/16/1004436516.db2.gz MQBJABANRKBFQA-UHFFFAOYSA-N 0 3 407.514 3.954 20 30 HHEDHN C=CCOc1ccc(CN2CCC(C(=O)NCc3ccc(OC)cc3)CC2)cc1OC ZINC000512683140 1004490489 /nfs/dbraw/zinc/49/04/89/1004490489.db2.gz NCKDNIUNFQKEKM-UHFFFAOYSA-N 0 3 424.541 3.797 20 30 HHEDHN CC(C)(C(=O)NCC1(N2CCSCC2)CCCCC1)c1cc(F)cc(C#N)c1 ZINC000512682956 1004490715 /nfs/dbraw/zinc/49/07/15/1004490715.db2.gz KZMURFVDXOPLBA-UHFFFAOYSA-N 0 3 403.567 3.843 20 30 HHEDHN CC(C)Oc1ccc([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)N(C)C)cc1 ZINC000512912068 1004682006 /nfs/dbraw/zinc/68/20/06/1004682006.db2.gz NADVQDDQGHHZOC-QFIPXVFZSA-N 0 3 406.530 3.937 20 30 HHEDHN C=CCOc1cccc(NC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000510731107 1004821977 /nfs/dbraw/zinc/82/19/77/1004821977.db2.gz FQZHLMUSZYZYOZ-QHCPKHFHSA-N 0 3 408.546 3.752 20 30 HHEDHN N#Cc1ccc(NC(=O)CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000513210859 1004862706 /nfs/dbraw/zinc/86/27/06/1004862706.db2.gz SLHFOBCWPGJBKX-FQEVSTJZSA-N 0 3 403.404 3.507 20 30 HHEDHN N#Cc1cccc(OC2CCN(C(=O)NCCCN3CCc4ccccc4C3)CC2)c1 ZINC000510919382 1004933016 /nfs/dbraw/zinc/93/30/16/1004933016.db2.gz RXYBKRMYQMZNCZ-UHFFFAOYSA-N 0 3 418.541 3.559 20 30 HHEDHN N#Cc1ccc(CN2CC[C@@H](N[C@H]3CCc4ccc(Br)cc43)C2=O)cc1 ZINC000511052897 1004998205 /nfs/dbraw/zinc/99/82/05/1004998205.db2.gz ZQUCHNMZLLXQBN-VQTJNVASSA-N 0 3 410.315 3.699 20 30 HHEDHN CN(C(=O)CNC(C)(C)COc1ncccc1C(F)(F)F)C1(C#N)CCCCC1 ZINC000502336874 1005019183 /nfs/dbraw/zinc/01/91/83/1005019183.db2.gz JGJOTGNNUMCXPY-UHFFFAOYSA-N 0 3 412.456 3.532 20 30 HHEDHN Cc1cc(NC(=O)N(C[C@H](C)C#N)C2CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000513705154 1005089803 /nfs/dbraw/zinc/08/98/03/1005089803.db2.gz OBSXWNMBOFTTOG-UTKZUKDTSA-N 0 3 406.534 3.795 20 30 HHEDHN COc1cc(CN2CCC(CCC(N)=O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000502534621 1005107093 /nfs/dbraw/zinc/10/70/93/1005107093.db2.gz PUKNWCKFMBYKSB-UHFFFAOYSA-N 0 3 407.514 3.623 20 30 HHEDHN COc1ccc2cccc(CC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2c1 ZINC000513853356 1005159237 /nfs/dbraw/zinc/15/92/37/1005159237.db2.gz WZSIGYQOMNDDCJ-UHFFFAOYSA-N 0 3 401.510 3.853 20 30 HHEDHN C=CCc1ccc(OCC(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c(OC)c1 ZINC000502899652 1005265677 /nfs/dbraw/zinc/26/56/77/1005265677.db2.gz RVKLEEHMXZJLHE-UHFFFAOYSA-N 0 3 423.557 3.972 20 30 HHEDHN CN1CCC(N(Cc2ccco2)C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000514453416 1005997538 /nfs/dbraw/zinc/99/75/38/1005997538.db2.gz NLSODPYTHQIBKI-UHFFFAOYSA-N 0 3 412.559 3.690 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000531571266 1006278286 /nfs/dbraw/zinc/27/82/86/1006278286.db2.gz IEELZIBNWOWSSF-UHFFFAOYSA-N 0 3 424.520 3.918 20 30 HHEDHN CC1CC(C#N)(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000532068123 1006613650 /nfs/dbraw/zinc/61/36/50/1006613650.db2.gz VSJUVSLNVCBUHX-UHFFFAOYSA-N 0 3 422.495 3.664 20 30 HHEDHN CCC[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538388855 1006658075 /nfs/dbraw/zinc/65/80/75/1006658075.db2.gz HYIMZUQWPVDNHW-PKTZIBPZSA-N 0 3 408.521 3.666 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)N(Cc2cccc3ccccc32)C2CCCC2)CC1 ZINC000515817470 1006696302 /nfs/dbraw/zinc/69/63/02/1006696302.db2.gz UTZUIUKYJSPZAK-UHFFFAOYSA-N 0 3 419.569 3.878 20 30 HHEDHN CCCOc1cc(C)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000532296195 1006778755 /nfs/dbraw/zinc/77/87/55/1006778755.db2.gz WRBDFTBPVXLREO-UHFFFAOYSA-N 0 3 408.546 3.929 20 30 HHEDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000532743380 1007153340 /nfs/dbraw/zinc/15/33/40/1007153340.db2.gz NXQAIYUMUXOYGZ-UHFFFAOYSA-N 0 3 414.509 3.910 20 30 HHEDHN CCN(CCC#N)C(=O)CN(Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@@H]1C ZINC000538956201 1007244309 /nfs/dbraw/zinc/24/43/09/1007244309.db2.gz OWRZUEGGVSDGGP-ICSRJNTNSA-N 0 3 401.551 3.847 20 30 HHEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000535339387 1007391158 /nfs/dbraw/zinc/39/11/58/1007391158.db2.gz FCJZTLCBWAHGHW-UHFFFAOYSA-N 0 3 400.320 3.719 20 30 HHEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)c1 ZINC000517132927 1007447931 /nfs/dbraw/zinc/44/79/31/1007447931.db2.gz CPRKEHKDKQJADX-BWKNWUBXSA-N 0 3 406.526 3.857 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000539330971 1007631149 /nfs/dbraw/zinc/63/11/49/1007631149.db2.gz STOKVDGAVHHNAA-WOJBJXKFSA-N 0 3 416.529 3.870 20 30 HHEDHN Cc1ccccc1[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000539363559 1007666571 /nfs/dbraw/zinc/66/65/71/1007666571.db2.gz OEMDVCDHHCHPGW-LEWJYISDSA-N 0 3 408.571 3.603 20 30 HHEDHN Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000539365386 1007668488 /nfs/dbraw/zinc/66/84/88/1007668488.db2.gz RMKBIXPHVRVLLE-VWPQPMDRSA-N 0 3 422.598 3.643 20 30 HHEDHN COC(=O)c1cc2cc(CN3CCC(C(=O)Nc4cccc(C#N)c4)CC3)ccc2o1 ZINC000533360617 1007668964 /nfs/dbraw/zinc/66/89/64/1007668964.db2.gz JQVPVOADUMUQMD-UHFFFAOYSA-N 0 3 417.465 3.942 20 30 HHEDHN Clc1cccc(C#CCN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000533463663 1007774027 /nfs/dbraw/zinc/77/40/27/1007774027.db2.gz ZZWXMBREAXFAIR-JOCHJYFZSA-N 0 3 408.977 3.621 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000533501257 1007811472 /nfs/dbraw/zinc/81/14/72/1007811472.db2.gz ZRPMBOLTBDPBLO-JOCHJYFZSA-N 0 3 412.505 3.645 20 30 HHEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)nn1CCC#N ZINC000539718629 1008037579 /nfs/dbraw/zinc/03/75/79/1008037579.db2.gz ZTTNGNSTIXKXOB-UHFFFAOYSA-N 0 3 422.455 3.720 20 30 HHEDHN C=CCN1CCC(NC(=O)c2nc(CC)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000518500871 1008329478 /nfs/dbraw/zinc/32/94/78/1008329478.db2.gz BGZROMXRFXONDB-UHFFFAOYSA-N 0 3 408.333 3.517 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)CC1 ZINC000518582100 1008354588 /nfs/dbraw/zinc/35/45/88/1008354588.db2.gz ZLEIUXMBWSNAGO-UHFFFAOYSA-N 0 3 400.454 3.751 20 30 HHEDHN C=CCN1CCC(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)CC1 ZINC000519270393 1008679678 /nfs/dbraw/zinc/67/96/78/1008679678.db2.gz KWELEOQIHOXNQJ-UHFFFAOYSA-N 0 3 404.967 3.693 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CC1 ZINC000519271079 1008679770 /nfs/dbraw/zinc/67/97/70/1008679770.db2.gz OQZWVQLYVVWCFF-UHFFFAOYSA-N 0 3 407.493 3.572 20 30 HHEDHN C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CCCC2)CC1 ZINC000549248407 1008818953 /nfs/dbraw/zinc/81/89/53/1008818953.db2.gz QAUAIVZYTBUYOP-UHFFFAOYSA-N 0 3 411.550 3.506 20 30 HHEDHN CN(CCc1nc(-c2ccccc2)no1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000519476804 1008851782 /nfs/dbraw/zinc/85/17/82/1008851782.db2.gz AKDJKJCZGLULKQ-UHFFFAOYSA-N 0 3 413.485 3.583 20 30 HHEDHN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC2CC2)CC1 ZINC000549291499 1008864218 /nfs/dbraw/zinc/86/42/18/1008864218.db2.gz GIMCSUALABHAFJ-UHFFFAOYSA-N 0 3 401.942 3.715 20 30 HHEDHN CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CCN1C ZINC000549528970 1009139349 /nfs/dbraw/zinc/13/93/49/1009139349.db2.gz HXASDFUBOGNXIM-JOCHJYFZSA-N 0 3 400.530 3.641 20 30 HHEDHN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CCN1C ZINC000549528971 1009139751 /nfs/dbraw/zinc/13/97/51/1009139751.db2.gz HXASDFUBOGNXIM-QFIPXVFZSA-N 0 3 400.530 3.641 20 30 HHEDHN C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000549654350 1009282097 /nfs/dbraw/zinc/28/20/97/1009282097.db2.gz ONPXLOVJIFDNPI-FQEVSTJZSA-N 0 3 423.605 3.977 20 30 HHEDHN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CCN1C ZINC000549963469 1009571109 /nfs/dbraw/zinc/57/11/09/1009571109.db2.gz NPVNPCVXMWFHQY-FQEVSTJZSA-N 0 3 406.559 3.703 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000546752884 1009720184 /nfs/dbraw/zinc/72/01/84/1009720184.db2.gz GNCJVXHENDAZDS-DHIUTWEWSA-N 0 3 424.520 3.691 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000520696879 1009763872 /nfs/dbraw/zinc/76/38/72/1009763872.db2.gz UWOSAZDZEYSPMV-UHFFFAOYSA-N 0 3 421.467 3.731 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)CC1 ZINC000520697656 1009765013 /nfs/dbraw/zinc/76/50/13/1009765013.db2.gz NYABQJOEGJOSPB-UHFFFAOYSA-N 0 3 406.958 3.984 20 30 HHEDHN Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000520895221 1009950358 /nfs/dbraw/zinc/95/03/58/1009950358.db2.gz YVPTWZVUCWMVGP-UHFFFAOYSA-N 0 3 411.513 3.547 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N1CCCC[C@H]1C ZINC000521332023 1010311077 /nfs/dbraw/zinc/31/10/77/1010311077.db2.gz WUVRJTPTYGNWGA-MSOLQXFVSA-N 0 3 420.513 3.668 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000521600242 1010496905 /nfs/dbraw/zinc/49/69/05/1010496905.db2.gz HICVQSFOTOWNCL-QFIPXVFZSA-N 0 3 423.557 3.937 20 30 HHEDHN N#C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000521886422 1010685865 /nfs/dbraw/zinc/68/58/65/1010685865.db2.gz WOMCAZXPMGWZOO-APWZRJJASA-N 0 3 403.313 3.981 20 30 HHEDHN N#C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000521886425 1010685945 /nfs/dbraw/zinc/68/59/45/1010685945.db2.gz WOMCAZXPMGWZOO-QFBILLFUSA-N 0 3 403.313 3.981 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(Oc2ccccc2)c1 ZINC000522176411 1010848446 /nfs/dbraw/zinc/84/84/46/1010848446.db2.gz CSYMSYMDWJBBNS-UHFFFAOYSA-N 0 3 400.482 3.950 20 30 HHEDHN COc1ccc(C2(CN[C@H](C(N)=O)c3ccc(C#N)cc3)CCCCC2)cc1OC ZINC000522377282 1010967153 /nfs/dbraw/zinc/96/71/53/1010967153.db2.gz URSUKXGXRVKKOY-QFIPXVFZSA-N 0 3 407.514 3.594 20 30 HHEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000540575903 1011233498 /nfs/dbraw/zinc/23/34/98/1011233498.db2.gz XQAWWKZRZHGEEL-UTKZUKDTSA-N 0 3 405.926 3.607 20 30 HHEDHN Cc1ccccc1[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 ZINC000540591751 1011248270 /nfs/dbraw/zinc/24/82/70/1011248270.db2.gz YZNQLRWDYQENLL-NFBKMPQASA-N 0 3 408.571 3.506 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719022 1011370451 /nfs/dbraw/zinc/37/04/51/1011370451.db2.gz PMUQXDIJCJHLAG-NHCUHLMSSA-N 0 3 422.976 3.953 20 30 HHEDHN CN1CC[C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H]1c1ccccc1 ZINC000536225451 1011373112 /nfs/dbraw/zinc/37/31/12/1011373112.db2.gz KYPYXXPZXUENFJ-HNYUPJOQSA-N 0 3 418.541 3.993 20 30 HHEDHN CCN(CC)C(=O)COc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000540974406 1011608835 /nfs/dbraw/zinc/60/88/35/1011608835.db2.gz ZWZJCPBGARLGTO-UHFFFAOYSA-N 0 3 420.557 3.882 20 30 HHEDHN CCOC(=O)C1CCN(C(=O)CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541086294 1011728596 /nfs/dbraw/zinc/72/85/96/1011728596.db2.gz CWNQVBXIPCQCTA-GOSISDBHSA-N 0 3 419.525 3.678 20 30 HHEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(Br)c1 ZINC000523378927 1011857871 /nfs/dbraw/zinc/85/78/71/1011857871.db2.gz YJBMDJDWAVHZKQ-UHFFFAOYSA-N 0 3 416.319 3.533 20 30 HHEDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000523622565 1012202741 /nfs/dbraw/zinc/20/27/41/1012202741.db2.gz NYUMXLQATQVDEW-OAHLLOKOSA-N 0 3 403.470 3.510 20 30 HHEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000523666846 1012261449 /nfs/dbraw/zinc/26/14/49/1012261449.db2.gz BXSUKENREPQLGR-QFIPXVFZSA-N 0 3 418.541 3.747 20 30 HHEDHN CC[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000552321455 1012331467 /nfs/dbraw/zinc/33/14/67/1012331467.db2.gz RSBMPDKGMBEUDL-INIZCTEOSA-N 0 3 412.342 3.884 20 30 HHEDHN CN(CCC(=O)N(C)CCC#N)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000552431297 1012451508 /nfs/dbraw/zinc/45/15/08/1012451508.db2.gz CUBFJYIXJRXTLH-UHFFFAOYSA-N 0 3 407.543 3.795 20 30 HHEDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)N(C)C)cc1 ZINC000552457017 1012482708 /nfs/dbraw/zinc/48/27/08/1012482708.db2.gz DPMICLKOJCQLPD-SFHVURJKSA-N 0 3 420.435 3.792 20 30 HHEDHN C=CCC[C@H](NCC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000537157063 1012553292 /nfs/dbraw/zinc/55/32/92/1012553292.db2.gz LXNCZSPWEJTHPB-OFNKIYASSA-N 0 3 411.590 3.781 20 30 HHEDHN Cc1cccc([C@@H]2CCCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000537162181 1012561980 /nfs/dbraw/zinc/56/19/80/1012561980.db2.gz OEFMGNJXZMBHCS-SFTDATJTSA-N 0 3 408.571 3.603 20 30 HHEDHN Cn1cc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(-c2cccs2)n1 ZINC000537162573 1012563541 /nfs/dbraw/zinc/56/35/41/1012563541.db2.gz KYSDTDUHBMUMPG-UHFFFAOYSA-N 0 3 405.527 3.871 20 30 HHEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000537249390 1012694321 /nfs/dbraw/zinc/69/43/21/1012694321.db2.gz REICLPPKVJLLPJ-ZJSXRUAMSA-N 0 3 422.598 3.978 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H](c3ccccc3)N3CCCC3)n2)c(F)c1 ZINC000542027005 1012922693 /nfs/dbraw/zinc/92/26/93/1012922693.db2.gz QKPIXMBSNLLLCM-NRFANRHFSA-N 0 3 418.476 3.842 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1)[C@H]1CCCN(C)C1 ZINC000537454211 1012947116 /nfs/dbraw/zinc/94/71/16/1012947116.db2.gz FEVXKWPOTAIMGI-QFIPXVFZSA-N 0 3 416.525 3.660 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000524156073 1012947131 /nfs/dbraw/zinc/94/71/31/1012947131.db2.gz GJTCVTVPQIGSCO-GOSISDBHSA-N 0 3 420.340 3.817 20 30 HHEDHN N#CCOc1ccc(CNCc2sc(N3CCOCC3)nc2-c2ccccc2)cc1 ZINC000729685403 1071808162 /nfs/dbraw/zinc/80/81/62/1071808162.db2.gz RMBLIBYCNKHRKN-UHFFFAOYSA-N 0 3 420.538 3.839 20 30 HHEDHN N#CCc1ccc(S(=O)(=O)N(CCN2CCCCCC2)C2CCC2)c(Cl)c1 ZINC001212038133 1071929146 /nfs/dbraw/zinc/92/91/46/1071929146.db2.gz UJFOKPAFONNRMS-UHFFFAOYSA-N 0 3 409.983 3.825 20 30 HHEDHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001212065594 1071948123 /nfs/dbraw/zinc/94/81/23/1071948123.db2.gz LXXFJEOIWFFLPC-PMACEKPBSA-N 0 3 421.476 3.521 20 30 HHEDHN C=CCOc1ccc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000487869622 1072106718 /nfs/dbraw/zinc/10/67/18/1072106718.db2.gz KHMXJUBTFKFRNY-SFHVURJKSA-N 0 3 400.544 3.984 20 30 HHEDHN CC(C)n1ccc(=O)nc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000729821316 1072138145 /nfs/dbraw/zinc/13/81/45/1072138145.db2.gz JZOGYFQFJXNXJR-OAHLLOKOSA-N 0 3 410.524 3.916 20 30 HHEDHN COc1ccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1OCCCC#N ZINC000554886070 1072925973 /nfs/dbraw/zinc/92/59/73/1072925973.db2.gz CAFCULWNWAOODV-DEOSSOPVSA-N 0 3 412.505 3.944 20 30 HHEDHN CN(C)C[C@@H](NC(=O)NCCSCc1ccccc1C#N)c1ccc(F)cc1 ZINC000588257574 1072970441 /nfs/dbraw/zinc/97/04/41/1072970441.db2.gz RDNRWBTXVCPFJD-HXUWFJFHSA-N 0 3 400.523 3.533 20 30 HHEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555130739 1073180995 /nfs/dbraw/zinc/18/09/95/1073180995.db2.gz VEDKGSQHCLFCIO-UYAOXDASSA-N 0 3 408.949 3.745 20 30 HHEDHN N#CCCC[C@@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccccc1 ZINC000590121797 1073568960 /nfs/dbraw/zinc/56/89/60/1073568960.db2.gz XQZWYAHKGGMFFW-GOSISDBHSA-N 0 3 411.303 3.982 20 30 HHEDHN C=CCc1cc(CNc2ccc(C(=O)NCCN3CCCC3)cc2)cc(OC)c1O ZINC000555505943 1073572159 /nfs/dbraw/zinc/57/21/59/1073572159.db2.gz LMIFSPSUVADXFS-UHFFFAOYSA-N 0 3 409.530 3.567 20 30 HHEDHN C=CCN1CCC(NC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)CC1 ZINC000592069423 1074686719 /nfs/dbraw/zinc/68/67/19/1074686719.db2.gz KLCLCVICNIUSDL-UHFFFAOYSA-N 0 3 404.514 3.602 20 30 HHEDHN C=CCN1CCC(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 ZINC000592069449 1074686735 /nfs/dbraw/zinc/68/67/35/1074686735.db2.gz NYLBAXZPBRWSJV-UHFFFAOYSA-N 0 3 404.514 3.602 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)CC1 ZINC000592075590 1074687821 /nfs/dbraw/zinc/68/78/21/1074687821.db2.gz PSKQHKCWIFCUSQ-UHFFFAOYSA-N 0 3 409.559 3.620 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000592476636 1074763663 /nfs/dbraw/zinc/76/36/63/1074763663.db2.gz IBGYHXQENHYRND-UHFFFAOYSA-N 0 3 415.541 3.989 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)CC1 ZINC000592526807 1074781429 /nfs/dbraw/zinc/78/14/29/1074781429.db2.gz BGFJXYYVHDDFMC-UHFFFAOYSA-N 0 3 406.530 3.664 20 30 HHEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@H](C)OC2CCCCCC2)cc1 ZINC000761036057 1075224265 /nfs/dbraw/zinc/22/42/65/1075224265.db2.gz IMRUCGKRZPLODG-HNAYVOBHSA-N 0 3 400.475 3.639 20 30 HHEDHN N#Cc1ccc(CN2CCCN(c3ccnc4cc(Br)cnc43)CC2)cc1 ZINC000302105004 971177078 /nfs/dbraw/zinc/17/70/78/971177078.db2.gz NDEAUXCHIDSIAL-UHFFFAOYSA-N 0 3 422.330 3.976 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000303278388 971593797 /nfs/dbraw/zinc/59/37/97/971593797.db2.gz DTXSMXIFRREMJK-UHFFFAOYSA-N 0 3 424.520 3.918 20 30 HHEDHN N#Cc1ccc(N2CC[C@H](N3CCC[C@H](c4nc(C5CCCCC5)n[nH]4)C3)C2=O)cc1 ZINC000537561609 1013093427 /nfs/dbraw/zinc/09/34/27/1013093427.db2.gz HOSOZTADUNOYBA-FPOVZHCZSA-N 0 3 418.545 3.709 20 30 HHEDHN N#Cc1ccc(N2CC[C@H](N3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)C2=O)cc1 ZINC000537561609 1013093445 /nfs/dbraw/zinc/09/34/45/1013093445.db2.gz HOSOZTADUNOYBA-FPOVZHCZSA-N 0 3 418.545 3.709 20 30 HHEDHN C=CCN1CCC(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)CC1 ZINC000303285605 971599156 /nfs/dbraw/zinc/59/91/56/971599156.db2.gz NDVAOKVRGVYCSG-UHFFFAOYSA-N 0 3 408.527 3.749 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000303320581 971627585 /nfs/dbraw/zinc/62/75/85/971627585.db2.gz UZGKCSMOJIGHNK-UHFFFAOYSA-N 0 3 407.514 3.718 20 30 HHEDHN N#Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1Cl ZINC000303424627 971705241 /nfs/dbraw/zinc/70/52/41/971705241.db2.gz AIOUBYKLKYKTDY-YQQQUEKLSA-N 0 3 415.946 3.686 20 30 HHEDHN C[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000303471075 971772847 /nfs/dbraw/zinc/77/28/47/971772847.db2.gz NCROOFBPHBYDOP-GOSISDBHSA-N 0 3 403.482 3.981 20 30 HHEDHN C=CCc1ccc(OCC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000303799916 972036368 /nfs/dbraw/zinc/03/63/68/972036368.db2.gz GPDHTMBQHRONQX-FQEVSTJZSA-N 0 3 408.542 3.926 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)c2ccc(N3CCN(CC)CC3)cc2)cc1 ZINC000303860902 972401829 /nfs/dbraw/zinc/40/18/29/972401829.db2.gz TYMMEQBMHDEAOE-UHFFFAOYSA-N 0 3 406.530 3.788 20 30 HHEDHN Cc1ccc([C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)N(C)C)cc1 ZINC000553535962 1013433501 /nfs/dbraw/zinc/43/35/01/1013433501.db2.gz ALIFNPCCTCSZND-JOCHJYFZSA-N 0 3 424.520 3.862 20 30 HHEDHN N#Cc1ccsc1NC(=O)CCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000023009253 963753113 /nfs/dbraw/zinc/75/31/13/963753113.db2.gz HGCDKTANZGKXHD-UHFFFAOYSA-N 0 3 402.951 3.810 20 30 HHEDHN COC(=O)C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000542532478 1013476300 /nfs/dbraw/zinc/47/63/00/1013476300.db2.gz QXCKEBNIYYYSPA-DYVFJYSZSA-N 0 3 403.548 3.537 20 30 HHEDHN COC(=O)C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C1CCCCC1 ZINC000542529494 1013471814 /nfs/dbraw/zinc/47/18/14/1013471814.db2.gz GSHCPTFVZVIPLW-OXJNMPFZSA-N 0 3 403.498 3.562 20 30 HHEDHN COC(=O)C[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C1CCCCC1 ZINC000542529495 1013472168 /nfs/dbraw/zinc/47/21/68/1013472168.db2.gz GSHCPTFVZVIPLW-OXQOHEQNSA-N 0 3 403.498 3.562 20 30 HHEDHN Cc1nnc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)c(C#N)c1C ZINC000029620581 965432075 /nfs/dbraw/zinc/43/20/75/965432075.db2.gz QEFSMJZWKCEZHJ-UHFFFAOYSA-N 0 3 412.541 3.899 20 30 HHEDHN Cc1noc([C@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000054677397 965607271 /nfs/dbraw/zinc/60/72/71/965607271.db2.gz YIJFBLZVYDQRRE-HNNXBMFYSA-N 0 3 413.547 3.788 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000054720113 965621788 /nfs/dbraw/zinc/62/17/88/965621788.db2.gz RNNXYOFSYGTSJX-REWPJTCUSA-N 0 3 417.557 3.615 20 30 HHEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(CC1CCCCC1)C1CC1 ZINC000059391077 966021047 /nfs/dbraw/zinc/02/10/47/966021047.db2.gz LXDOCRSCGKEOIH-UHFFFAOYSA-N 0 3 400.567 3.996 20 30 HHEDHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)N(CCC#N)c3ccccc3)c(C)c2)CC1 ZINC000056170268 966244698 /nfs/dbraw/zinc/24/46/98/966244698.db2.gz QSNBNQMIDWZCDX-NRFANRHFSA-N 0 3 419.573 3.884 20 30 HHEDHN N#CC(C(=O)c1ccc(-n2cnnn2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041549310 966592138 /nfs/dbraw/zinc/59/21/38/966592138.db2.gz HGSNQCKNPJDWNU-CYBMUJFWSA-N 0 3 414.372 3.781 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000063401910 966845115 /nfs/dbraw/zinc/84/51/15/966845115.db2.gz XGBWCOANNSXEOI-UHFFFAOYSA-N 0 3 408.502 3.741 20 30 HHEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(CC2CCCCC2)CC1 ZINC000064130061 967060115 /nfs/dbraw/zinc/06/01/15/967060115.db2.gz FGYKLODBWHHTKD-MRXNPFEDSA-N 0 3 400.592 3.633 20 30 HHEDHN N#CC(C(=O)c1ccc(Oc2cccnc2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000064670438 967266224 /nfs/dbraw/zinc/26/62/24/967266224.db2.gz CQXGDADWGSVSHS-LJQANCHMSA-N 0 3 423.436 3.875 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000047522534 968220645 /nfs/dbraw/zinc/22/06/45/968220645.db2.gz DTAVFKYVBKWEBG-MRXNPFEDSA-N 0 3 406.530 3.809 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000047522534 968220658 /nfs/dbraw/zinc/22/06/58/968220658.db2.gz DTAVFKYVBKWEBG-MRXNPFEDSA-N 0 3 406.530 3.809 20 30 HHEDHN COc1ccc(CN2CC[C@H](N[C@@H]3CCCCc4cc(C#N)ccc43)C2=O)c(OC)c1 ZINC000554078845 1013788863 /nfs/dbraw/zinc/78/88/63/1013788863.db2.gz NNEITEHVXHMHQX-PKTZIBPZSA-N 0 3 419.525 3.734 20 30 HHEDHN C=CCC[C@@H](NCC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)c1ccccc1 ZINC000538256089 1013797945 /nfs/dbraw/zinc/79/79/45/1013797945.db2.gz CAXGNKDHWBOHQE-HXUWFJFHSA-N 0 3 404.518 3.823 20 30 HHEDHN Cc1nc(SCC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c(C#N)c(C)c1C ZINC000065826828 968665692 /nfs/dbraw/zinc/66/56/92/968665692.db2.gz KCVYICOZXQMWKF-QUCCMNQESA-N 0 3 408.571 3.922 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(F)c(Br)c1 ZINC000065930288 968720490 /nfs/dbraw/zinc/72/04/90/968720490.db2.gz AQCZYFGEGPRDRO-UHFFFAOYSA-N 0 3 418.310 3.593 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000065930268 968720609 /nfs/dbraw/zinc/72/06/09/968720609.db2.gz SOCFTJGAVPCTEH-UHFFFAOYSA-N 0 3 407.905 3.601 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)c(F)c1 ZINC000065930345 968720800 /nfs/dbraw/zinc/72/08/00/968720800.db2.gz GGCURXKWPNOCHU-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN Cc1nn(CC(C)C)c(C)c1CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930937 968721430 /nfs/dbraw/zinc/72/14/30/968721430.db2.gz HIBIRKPRQQEIFP-UHFFFAOYSA-N 0 3 409.578 3.551 20 30 HHEDHN COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000072006679 968928672 /nfs/dbraw/zinc/92/86/72/968928672.db2.gz ZSBRYDXOCSSJQR-NRFANRHFSA-N 0 3 407.514 3.535 20 30 HHEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000116676014 969913808 /nfs/dbraw/zinc/91/38/08/969913808.db2.gz XWKRSZVMVUHNRC-GOEBONIOSA-N 0 3 406.552 3.716 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000195660517 969939134 /nfs/dbraw/zinc/93/91/34/969939134.db2.gz TVBMOPYQHZJCIY-BJKOFHAPSA-N 0 3 420.557 3.799 20 30 HHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000138738828 970009134 /nfs/dbraw/zinc/00/91/34/970009134.db2.gz JPNGPYKRHWSWHV-ZDUSSCGKSA-N 0 3 400.772 3.765 20 30 HHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000138738828 970009138 /nfs/dbraw/zinc/00/91/38/970009138.db2.gz JPNGPYKRHWSWHV-ZDUSSCGKSA-N 0 3 400.772 3.765 20 30 HHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCOc2ccccc2Cl)cc1OC ZINC000140362289 970073531 /nfs/dbraw/zinc/07/35/31/970073531.db2.gz YGEIVPGBMHKQPP-HNNXBMFYSA-N 0 3 416.861 3.864 20 30 HHEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2ccccc2Cl)cc1 ZINC000140416308 970075935 /nfs/dbraw/zinc/07/59/35/970075935.db2.gz DQQPUVDUQCDQMH-QGZVFWFLSA-N 0 3 400.862 3.533 20 30 HHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000554723930 1014032024 /nfs/dbraw/zinc/03/20/24/1014032024.db2.gz XZHRXAABULQLHV-GOSISDBHSA-N 0 3 400.482 3.996 20 30 HHEDHN CCN1CCC[C@@H](CN(C)c2ccc(C(F)(F)F)c(C#N)n2)[C@@H]1c1cnn(C)c1 ZINC000409665164 973122030 /nfs/dbraw/zinc/12/20/30/973122030.db2.gz KRGDVWJYJYMUFU-IFXJQAMLSA-N 0 3 406.456 3.615 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000410100197 973575355 /nfs/dbraw/zinc/57/53/55/973575355.db2.gz HAUDRMXVAWWZNP-QGZVFWFLSA-N 0 3 408.340 3.612 20 30 HHEDHN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN[C@H](C)Cn3cccn3)sc2C1 ZINC000427003832 974815770 /nfs/dbraw/zinc/81/57/70/974815770.db2.gz ASZJGHPHGQDCGR-HZPDHXFCSA-N 0 3 413.591 3.974 20 30 HHEDHN CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)cc1 ZINC000427480775 975139909 /nfs/dbraw/zinc/13/99/09/975139909.db2.gz QTSRDZSGGAHKQO-VWLOTQADSA-N 0 3 418.541 3.597 20 30 HHEDHN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000427644608 975222142 /nfs/dbraw/zinc/22/21/42/975222142.db2.gz JVXMPWNFLXOEGT-UHFFFAOYSA-N 0 3 404.495 3.625 20 30 HHEDHN C=CCOc1cccc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000428488078 975787532 /nfs/dbraw/zinc/78/75/32/975787532.db2.gz YSESKYQBOMGKTF-SFHVURJKSA-N 0 3 400.544 3.984 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cc(OC)ccc2Br)CC1 ZINC000428626224 975930062 /nfs/dbraw/zinc/93/00/62/975930062.db2.gz KQWSPUUTDKSFAN-UHFFFAOYSA-N 0 3 410.356 3.640 20 30 HHEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000428701635 975992937 /nfs/dbraw/zinc/99/29/37/975992937.db2.gz RVXZDPXXGIUDBR-HXUWFJFHSA-N 0 3 409.534 3.527 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429084977 976370349 /nfs/dbraw/zinc/37/03/49/976370349.db2.gz PHUBYMPQFFJAAT-WMZHIEFXSA-N 0 3 413.525 3.714 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000429222147 976515285 /nfs/dbraw/zinc/51/52/85/976515285.db2.gz PYTYMAKNSRMGLQ-HZPDHXFCSA-N 0 3 404.942 3.955 20 30 HHEDHN Cc1nc(COc2ccc(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2)cs1 ZINC000430176368 977370562 /nfs/dbraw/zinc/37/05/62/977370562.db2.gz JRIJNAKREXNCFP-NRFANRHFSA-N 0 3 406.511 3.951 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431704488 978447713 /nfs/dbraw/zinc/44/77/13/978447713.db2.gz XXUOHYQIOBETKJ-UEVCKROQSA-N 0 3 403.526 3.711 20 30 HHEDHN N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000432567020 978891467 /nfs/dbraw/zinc/89/14/67/978891467.db2.gz FQLJRNKLTXDGGV-LJQANCHMSA-N 0 3 410.543 3.682 20 30 HHEDHN N#CCCn1cc(CNCc2cc(Cl)c3c(c2)OCCO3)c(-c2ccncc2)n1 ZINC000433326720 979239249 /nfs/dbraw/zinc/23/92/49/979239249.db2.gz MDMDPPIJQKWUFW-UHFFFAOYSA-N 0 3 409.877 3.573 20 30 HHEDHN CCN(CC)C(=O)c1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433335315 979244475 /nfs/dbraw/zinc/24/44/75/979244475.db2.gz PDGOWQPNALSUCS-UHFFFAOYSA-N 0 3 416.529 3.631 20 30 HHEDHN CCN(Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1COc2ccccc2O1 ZINC000434834890 980431970 /nfs/dbraw/zinc/43/19/70/980431970.db2.gz WGKJPBASJIUGRO-FQEVSTJZSA-N 0 3 403.486 3.521 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435331180 980789436 /nfs/dbraw/zinc/78/94/36/980789436.db2.gz YZAPYIMYCBUZTC-UHFFFAOYSA-N 0 3 411.300 3.828 20 30 HHEDHN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435370222 980819556 /nfs/dbraw/zinc/81/95/56/980819556.db2.gz HZARUFNQRAYRKG-NQIIRXRSSA-N 0 3 415.497 3.608 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000437417426 982058864 /nfs/dbraw/zinc/05/88/64/982058864.db2.gz ZWBFCSUOYQZHQU-WMZHIEFXSA-N 0 3 415.578 3.652 20 30 HHEDHN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000460568044 982352600 /nfs/dbraw/zinc/35/26/00/982352600.db2.gz RPILWEKLUAASDG-QFIPXVFZSA-N 0 3 414.642 3.583 20 30 HHEDHN CCOCCCn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460685426 982449063 /nfs/dbraw/zinc/44/90/63/982449063.db2.gz AIKAPZQLMYUECQ-UHFFFAOYSA-N 0 3 422.577 3.556 20 30 HHEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000460886037 982624436 /nfs/dbraw/zinc/62/44/36/982624436.db2.gz UPHAJBIATKZDJS-HNAYVOBHSA-N 0 3 419.367 3.747 20 30 HHEDHN C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000438659216 982976897 /nfs/dbraw/zinc/97/68/97/982976897.db2.gz XQOIBBSFRGUZMM-DENIHFKCSA-N 0 3 421.541 3.874 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438825774 983098330 /nfs/dbraw/zinc/09/83/30/983098330.db2.gz WPHCPCLIWXXLHV-FQEVSTJZSA-N 0 3 412.486 3.606 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)OC)c1ccccc1C ZINC000438892662 983140535 /nfs/dbraw/zinc/14/05/35/983140535.db2.gz GVWRBBMVXUFMTB-FQEVSTJZSA-N 0 3 414.575 3.807 20 30 HHEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000439231764 983321609 /nfs/dbraw/zinc/32/16/09/983321609.db2.gz WBFADEKWFOLGHR-SFHVURJKSA-N 0 3 417.962 3.744 20 30 HHEDHN Cc1nc(SCC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(C#N)c(C)c1C ZINC000439770000 983531706 /nfs/dbraw/zinc/53/17/06/983531706.db2.gz WJWZCEZRPGNRQY-SFHVURJKSA-N 0 3 423.586 3.707 20 30 HHEDHN COc1cc(CNCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)ccc1C#N ZINC000440828042 983926453 /nfs/dbraw/zinc/92/64/53/983926453.db2.gz SHAZAKIEQTVKKA-UHFFFAOYSA-N 0 3 418.463 3.627 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)CC1 ZINC000442308139 984805320 /nfs/dbraw/zinc/80/53/20/984805320.db2.gz NWTXSJANFXUTJQ-UHFFFAOYSA-N 0 3 413.905 3.837 20 30 HHEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000463017288 985973595 /nfs/dbraw/zinc/97/35/95/985973595.db2.gz ZPKDCZXSOGYJRT-DVECYGJZSA-N 0 3 400.526 3.877 20 30 HHEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N)N(C)C ZINC000443845402 986048046 /nfs/dbraw/zinc/04/80/46/986048046.db2.gz SGZMMJINGTXBIM-DYESRHJHSA-N 0 3 424.570 3.747 20 30 HHEDHN Cc1cc(CNCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)ccc1C#N ZINC000443992740 986193752 /nfs/dbraw/zinc/19/37/52/986193752.db2.gz XWYOFEZVGPPOAY-UHFFFAOYSA-N 0 3 416.525 3.911 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463506957 986482370 /nfs/dbraw/zinc/48/23/70/986482370.db2.gz MQMWGGYBOQUMLS-MSOLQXFVSA-N 0 3 401.432 3.669 20 30 HHEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469170037 986893875 /nfs/dbraw/zinc/89/38/75/986893875.db2.gz ZKNLBZBGCITMTR-UHFFFAOYSA-N 0 3 410.424 3.695 20 30 HHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000469634218 987293452 /nfs/dbraw/zinc/29/34/52/987293452.db2.gz RXBFQMMRRHSLSH-QFIPXVFZSA-N 0 3 420.557 3.699 20 30 HHEDHN CN1CCN(CCCNC(=O)C[C@H](CC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000470020303 987630916 /nfs/dbraw/zinc/63/09/16/987630916.db2.gz XNDSMAMVMOSRTG-ZEQRLZLVSA-N 0 3 404.558 3.569 20 30 HHEDHN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)CC1CCN(c2ccccn2)CC1 ZINC000464801739 989030150 /nfs/dbraw/zinc/03/01/50/989030150.db2.gz IRMPVWRDEJHYHZ-UHFFFAOYSA-N 0 3 411.937 3.784 20 30 HHEDHN CN(C)[C@H](CNc1ccc(C#N)c(NC[C@H](c2ccco2)N(C)C)n1)c1ccco1 ZINC000472040798 990210919 /nfs/dbraw/zinc/21/09/19/990210919.db2.gz AETYTWVUMVEWMR-QZTJIDSGSA-N 0 3 408.506 3.569 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000465855633 990966800 /nfs/dbraw/zinc/96/68/00/990966800.db2.gz BBFNCVRSTQJCLM-OAHLLOKOSA-N 0 3 410.356 3.556 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(CC)CCOc2ccc(Br)cc2)CC1 ZINC000465869241 990981865 /nfs/dbraw/zinc/98/18/65/990981865.db2.gz ZFJDDIHPYYETHO-UHFFFAOYSA-N 0 3 424.383 3.900 20 30 HHEDHN COc1ccc([C@@H](C)CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000466042784 991213104 /nfs/dbraw/zinc/21/31/04/991213104.db2.gz TVEHPPXKUIWAIX-IBGZPJMESA-N 0 3 408.546 3.834 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN([C@H](C)CO)C2CCCC2)c1C#N ZINC000472611238 993560659 /nfs/dbraw/zinc/56/06/59/993560659.db2.gz KAVSHLBYXMOEER-OAHLLOKOSA-N 0 3 412.509 3.669 20 30 HHEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000472893685 993820057 /nfs/dbraw/zinc/82/00/57/993820057.db2.gz CHFFBRKUNMDNTK-UXHICEINSA-N 0 3 419.573 3.611 20 30 HHEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000482156775 995111274 /nfs/dbraw/zinc/11/12/74/995111274.db2.gz YWYMIFWESBMZQM-UHFFFAOYSA-N 0 3 401.576 3.584 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)NCCN2CCCC[C@H]2CC)nnc1-c1ccco1 ZINC000482197606 995175733 /nfs/dbraw/zinc/17/57/33/995175733.db2.gz ITCSKVLETIVBNA-QGZVFWFLSA-N 0 3 417.579 3.587 20 30 HHEDHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000474868647 995764301 /nfs/dbraw/zinc/76/43/01/995764301.db2.gz KTPDCDPJLJRYBW-UHFFFAOYSA-N 0 3 404.558 3.555 20 30 HHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(CC2CCC2)[C@@H](C)CO)c1C#N ZINC000483132876 995994191 /nfs/dbraw/zinc/99/41/91/995994191.db2.gz GXSVEBYXOGEXSB-INIZCTEOSA-N 0 3 400.567 3.903 20 30 HHEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000475286066 996045755 /nfs/dbraw/zinc/04/57/55/996045755.db2.gz OQHHCOIWTYUTJT-UHFFFAOYSA-N 0 3 424.541 3.511 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476426837 996895474 /nfs/dbraw/zinc/89/54/74/996895474.db2.gz GPGSXFPOLTYDCA-HOTGVXAUSA-N 0 3 417.962 3.647 20 30 HHEDHN CN(CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)Cc1ccccc1 ZINC000476709678 997251422 /nfs/dbraw/zinc/25/14/22/997251422.db2.gz QPJACJVDZNEJNF-UHFFFAOYSA-N 0 3 406.530 3.679 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc(OCC(F)(F)F)cc3)C2=O)cc1 ZINC000485281202 997677337 /nfs/dbraw/zinc/67/73/37/997677337.db2.gz BTAAKTQSQWQLKY-IBGZPJMESA-N 0 3 403.404 3.785 20 30 HHEDHN COCCN1CCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000477138385 997795132 /nfs/dbraw/zinc/79/51/32/997795132.db2.gz WSSPIRLTAIHDSI-HSZRJFAPSA-N 0 3 424.520 3.520 20 30 HHEDHN C=CCSc1ccccc1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000485462514 997906902 /nfs/dbraw/zinc/90/69/02/997906902.db2.gz IBROZZDFLYLDOI-UHFFFAOYSA-N 0 3 409.555 3.914 20 30 HHEDHN CCN1CCN(c2ccc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000477248872 997923509 /nfs/dbraw/zinc/92/35/09/997923509.db2.gz FUGLYUOZYFXWBL-UHFFFAOYSA-N 0 3 415.459 3.629 20 30 HHEDHN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000477861909 998613107 /nfs/dbraw/zinc/61/31/07/998613107.db2.gz OMBUJBBQQXWRIA-HXUWFJFHSA-N 0 3 401.432 3.631 20 30 HHEDHN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000477861908 998613281 /nfs/dbraw/zinc/61/32/81/998613281.db2.gz OMBUJBBQQXWRIA-FQEVSTJZSA-N 0 3 401.432 3.631 20 30 HHEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000487889902 999305736 /nfs/dbraw/zinc/30/57/36/999305736.db2.gz APPUCJZLLTVHNK-SFHVURJKSA-N 0 3 417.307 3.754 20 30 HHEDHN COCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H]1CCC[C@H]1C ZINC000487991881 999339641 /nfs/dbraw/zinc/33/96/41/999339641.db2.gz UFDJJQRZGMPJQR-IERDGZPVSA-N 0 3 412.534 3.693 20 30 HHEDHN CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488466082 999496194 /nfs/dbraw/zinc/49/61/94/999496194.db2.gz PCJRELOWFCUXAL-MBSDFSHPSA-N 0 3 418.541 3.789 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NC2(Cc3ccccc3Br)CC2)CC1 ZINC000488845003 999625501 /nfs/dbraw/zinc/62/55/01/999625501.db2.gz PIJVNBZGFGFZRF-UHFFFAOYSA-N 0 3 406.368 3.864 20 30 HHEDHN CCOc1c(OC)cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000479928060 999651978 /nfs/dbraw/zinc/65/19/78/999651978.db2.gz RHAZSUDCVSPPAJ-UHFFFAOYSA-N 0 3 406.486 3.664 20 30 HHEDHN C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000480296774 999765122 /nfs/dbraw/zinc/76/51/22/999765122.db2.gz BKKSEOSHFOQIRC-BTYIYWSLSA-N 0 3 406.465 3.696 20 30 HHEDHN C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H](c1ccccc1)N(C)C ZINC000480297317 999765307 /nfs/dbraw/zinc/76/53/07/999765307.db2.gz UGMXUKBMWHFYSI-VFNWGFHPSA-N 0 3 406.465 3.696 20 30 HHEDHN CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000489772072 999835243 /nfs/dbraw/zinc/83/52/43/999835243.db2.gz DJBSXMVVLIKJAA-UHFFFAOYSA-N 0 3 406.530 3.766 20 30 HHEDHN COCCN(CCOc1ccc(F)cc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491229061 1000056939 /nfs/dbraw/zinc/05/69/39/1000056939.db2.gz TYEJOSUCTURJMF-UHFFFAOYSA-N 0 3 408.477 3.625 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1C#N ZINC000494050359 1000283642 /nfs/dbraw/zinc/28/36/42/1000283642.db2.gz QIDGRWLCLCIGCK-MGPUTAFESA-N 0 3 406.555 3.945 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1ccc(F)cc1Cl ZINC000494168143 1000338910 /nfs/dbraw/zinc/33/89/10/1000338910.db2.gz GIQMIAQVAKKHGW-UHFFFAOYSA-N 0 3 403.885 3.710 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000494468414 1000508413 /nfs/dbraw/zinc/50/84/13/1000508413.db2.gz BOQBGQBLYFGNOJ-QHAWAJNXSA-N 0 3 413.880 3.966 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000494468410 1000508425 /nfs/dbraw/zinc/50/84/25/1000508425.db2.gz BOQBGQBLYFGNOJ-HKBOAZHASA-N 0 3 413.880 3.966 20 30 HHEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000494776687 1000649122 /nfs/dbraw/zinc/64/91/22/1000649122.db2.gz DRHUNWVMYQMDGO-UHFFFAOYSA-N 0 3 419.481 3.640 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000505449802 1000781515 /nfs/dbraw/zinc/78/15/15/1000781515.db2.gz USLBHRNPUIXBDU-UHFFFAOYSA-N 0 3 423.489 3.971 20 30 HHEDHN CC(C)C(=O)Nc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000505802080 1001033704 /nfs/dbraw/zinc/03/37/04/1001033704.db2.gz NKSUBNQBQHEFFA-UHFFFAOYSA-N 0 3 407.518 3.748 20 30 HHEDHN N#C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccccc1F ZINC000505934473 1001111674 /nfs/dbraw/zinc/11/16/74/1001111674.db2.gz ZXXJKDFSMZPSEZ-QUCCMNQESA-N 0 3 405.395 3.961 20 30 HHEDHN CN1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](c2ccccc2)C1 ZINC000497402451 1001340710 /nfs/dbraw/zinc/34/07/10/1001340710.db2.gz CQJPTXFSIVQSHG-ZEQRLZLVSA-N 0 3 411.505 3.965 20 30 HHEDHN CN1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H](c2ccccc2)C1 ZINC000497418948 1001352714 /nfs/dbraw/zinc/35/27/14/1001352714.db2.gz SKINSXWCSIATSY-DQEYMECFSA-N 0 3 411.505 3.965 20 30 HHEDHN COC(=O)c1cc(Cl)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000506992592 1001752657 /nfs/dbraw/zinc/75/26/57/1001752657.db2.gz ZHDWEOMIWHLTEU-UHFFFAOYSA-N 0 3 414.893 3.594 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000498371798 1001802934 /nfs/dbraw/zinc/80/29/34/1001802934.db2.gz DXGAHCHBEJLSRO-UHFFFAOYSA-N 0 3 406.313 3.834 20 30 HHEDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000498433020 1001863302 /nfs/dbraw/zinc/86/33/02/1001863302.db2.gz BUKIHZAIBZATSA-FQEVSTJZSA-N 0 3 420.557 3.548 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(Nc3ccc(F)cc3)CC2)c(OC)c1 ZINC000507220468 1001906397 /nfs/dbraw/zinc/90/63/97/1001906397.db2.gz XAQDPEGXBIQSNV-QFIPXVFZSA-N 0 3 414.521 3.879 20 30 HHEDHN C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507419631 1002061089 /nfs/dbraw/zinc/06/10/89/1002061089.db2.gz GGUCAZFAPGRKBT-QRWLVFNGSA-N 0 3 410.905 3.714 20 30 HHEDHN C=CCN1CC[C@@H](NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)C1=O ZINC000499548723 1002930919 /nfs/dbraw/zinc/93/09/19/1002930919.db2.gz MCQMVAKSURIEKR-HSZRJFAPSA-N 0 3 406.526 3.648 20 30 HHEDHN CN(C)CCN(Cc1ccccc1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000508532324 1003009646 /nfs/dbraw/zinc/00/96/46/1003009646.db2.gz DHUINZPGPDPIST-UHFFFAOYSA-N 0 3 408.521 3.504 20 30 HHEDHN Cc1nn2c(CN[C@H]3CCCN(c4ccc(C#N)cc4F)C3)c(C(C)C)nc2s1 ZINC000499706362 1003056073 /nfs/dbraw/zinc/05/60/73/1003056073.db2.gz QTWRPTWJOYQYOZ-INIZCTEOSA-N 0 3 412.538 3.992 20 30 HHEDHN C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC000508906673 1003344638 /nfs/dbraw/zinc/34/46/38/1003344638.db2.gz HTBPKLQMKNOSBW-LJQANCHMSA-N 0 3 413.566 3.781 20 30 HHEDHN C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508913548 1003352653 /nfs/dbraw/zinc/35/26/53/1003352653.db2.gz PIJDEUFFLBTZFZ-NQIIRXRSSA-N 0 3 413.566 3.779 20 30 HHEDHN Cc1onc(CC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1C#N ZINC000500108497 1003469877 /nfs/dbraw/zinc/46/98/77/1003469877.db2.gz GXCLQIWUVNNLMS-UHFFFAOYSA-N 0 3 402.498 3.558 20 30 HHEDHN CC[C@@H](C)N[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000509570990 1003951938 /nfs/dbraw/zinc/95/19/38/1003951938.db2.gz RGFSYNRPSGHCHI-UTKZUKDTSA-N 0 3 410.518 3.833 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000500834223 1003990749 /nfs/dbraw/zinc/99/07/49/1003990749.db2.gz ABILOEDQUBBSPL-GHTZIAJQSA-N 0 3 407.514 3.678 20 30 HHEDHN C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CCN1Cc1ccccc1 ZINC000500968683 1004085319 /nfs/dbraw/zinc/08/53/19/1004085319.db2.gz SHURYJZETZOSQV-UWJYYQICSA-N 0 3 415.534 3.512 20 30 HHEDHN C=CCc1cc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc(OC)c1O ZINC000512260193 1004162038 /nfs/dbraw/zinc/16/20/38/1004162038.db2.gz MHUKMZFSZBFZGZ-UHFFFAOYSA-N 0 3 406.526 3.931 20 30 HHEDHN C=CCc1cc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc(OC)c1O ZINC000512349790 1004237865 /nfs/dbraw/zinc/23/78/65/1004237865.db2.gz AKICUAWULZTGCI-UHFFFAOYSA-N 0 3 414.571 3.762 20 30 HHEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000510385804 1004526837 /nfs/dbraw/zinc/52/68/37/1004526837.db2.gz DHMDFLPJIVYIMV-QFIPXVFZSA-N 0 3 406.530 3.925 20 30 HHEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000510640209 1004771237 /nfs/dbraw/zinc/77/12/37/1004771237.db2.gz ZHRSMXZWDMGFAB-UHFFFAOYSA-N 0 3 403.477 3.989 20 30 HHEDHN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000513696198 1005085829 /nfs/dbraw/zinc/08/58/29/1005085829.db2.gz ULFYPTQTZJBLGS-MAUKXSAKSA-N 0 3 422.510 3.616 20 30 HHEDHN N#CC1(CS(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CCCC1 ZINC000511243823 1005088242 /nfs/dbraw/zinc/08/82/42/1005088242.db2.gz WLYLOBANMCQGST-XZOQPEGZSA-N 0 3 423.582 3.658 20 30 HHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000513724889 1005097267 /nfs/dbraw/zinc/09/72/67/1005097267.db2.gz KAZRGHMHFREUCR-GAJHUEQPSA-N 0 3 413.541 3.534 20 30 HHEDHN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@H](C)C3=CCN(C)CC3)c2)c1 ZINC000511265140 1005097371 /nfs/dbraw/zinc/09/73/71/1005097371.db2.gz JQVKIABSESNSAQ-GOSISDBHSA-N 0 3 417.509 3.645 20 30 HHEDHN CC(C)[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(F)cc1 ZINC000502564536 1005120842 /nfs/dbraw/zinc/12/08/42/1005120842.db2.gz VRWJDVQALQOOEY-KNQAVFIVSA-N 0 3 414.550 3.583 20 30 HHEDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)[C@H]2C1 ZINC000502680420 1005177549 /nfs/dbraw/zinc/17/75/49/1005177549.db2.gz QRTKNWWKCLMBLB-LEWJYISDSA-N 0 3 407.539 3.645 20 30 HHEDHN CCCN(CC)C(=O)c1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000511536570 1005214588 /nfs/dbraw/zinc/21/45/88/1005214588.db2.gz KAXJOONDMDNHBS-UHFFFAOYSA-N 0 3 420.557 3.634 20 30 HHEDHN CSCC[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1nnc2ccccn21 ZINC000514097043 1005263975 /nfs/dbraw/zinc/26/39/75/1005263975.db2.gz ZOCARFQSKBOSRO-HXUWFJFHSA-N 0 3 406.559 3.654 20 30 HHEDHN Cc1nccn1CCCN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000503053222 1005329207 /nfs/dbraw/zinc/32/92/07/1005329207.db2.gz ZWNPCCFAGCDDRP-UHFFFAOYSA-N 0 3 410.566 3.947 20 30 HHEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(C)C ZINC000503414647 1005413268 /nfs/dbraw/zinc/41/32/68/1005413268.db2.gz YLLBTVGWIDJSTI-OAQYLSRUSA-N 0 3 409.534 3.978 20 30 HHEDHN CCOc1cc(C(=O)C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)OC ZINC000503579284 1005457646 /nfs/dbraw/zinc/45/76/46/1005457646.db2.gz LHTFROOIPZQIHW-CQSZACIVSA-N 0 3 410.451 3.737 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000531449956 1006204424 /nfs/dbraw/zinc/20/44/24/1006204424.db2.gz WPRWWQAVFJOMLD-DDOIHHOZSA-N 0 3 407.514 3.873 20 30 HHEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C2)CC1 ZINC000531578316 1006282531 /nfs/dbraw/zinc/28/25/31/1006282531.db2.gz MUKBYWWHIFCCLP-XMMPIXPASA-N 0 3 417.557 3.542 20 30 HHEDHN C=CCN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(OC)cc1 ZINC000515780653 1006666793 /nfs/dbraw/zinc/66/67/93/1006666793.db2.gz WHKBMUAJXUXONN-UHFFFAOYSA-N 0 3 407.514 3.839 20 30 HHEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)C2)CC1 ZINC000532351441 1006812227 /nfs/dbraw/zinc/81/22/27/1006812227.db2.gz YLGAQJWAOORJFP-RUZDIDTESA-N 0 3 416.569 3.719 20 30 HHEDHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000532551871 1006982450 /nfs/dbraw/zinc/98/24/50/1006982450.db2.gz BAOMBBTUDDAMGW-QHCPKHFHSA-N 0 3 417.488 3.757 20 30 HHEDHN C/C=C\c1ccc(OC[C@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)c(OC)c1 ZINC000517134751 1007449314 /nfs/dbraw/zinc/44/93/14/1007449314.db2.gz GYGCBKMBDBJRCW-VEBBDIFPSA-N 0 3 422.525 3.883 20 30 HHEDHN C[C@@H](N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)(C)C ZINC000533250280 1007568551 /nfs/dbraw/zinc/56/85/51/1007568551.db2.gz QESAGRUOFXPFIC-IAGOWNOFSA-N 0 3 400.567 3.722 20 30 HHEDHN CC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccc2c(c1)OCCO2 ZINC000539278599 1007573053 /nfs/dbraw/zinc/57/30/53/1007573053.db2.gz DJZIZUZSHJODJP-IEBWSBKVSA-N 0 3 423.513 3.842 20 30 HHEDHN COc1ccc([C@@H](Cc2ccc(F)cc2)NCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000539278674 1007574119 /nfs/dbraw/zinc/57/41/19/1007574119.db2.gz VMUCFSVMOVBGGX-XMMPIXPASA-N 0 3 417.484 3.896 20 30 HHEDHN C[C@@H](N[C@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000539289113 1007586443 /nfs/dbraw/zinc/58/64/43/1007586443.db2.gz QHMRPDXVJWQJCV-HUUCEWRRSA-N 0 3 405.527 3.972 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000539330967 1007631261 /nfs/dbraw/zinc/63/12/61/1007631261.db2.gz STOKVDGAVHHNAA-PMACEKPBSA-N 0 3 416.529 3.870 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N1CCC[C@@H](C)C1 ZINC000517524796 1007742697 /nfs/dbraw/zinc/74/26/97/1007742697.db2.gz LXLPEEYWPNGQGF-QZTJIDSGSA-N 0 3 420.513 3.526 20 30 HHEDHN CC[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000539491579 1007803493 /nfs/dbraw/zinc/80/34/93/1007803493.db2.gz QUFFHVBQYUOHBZ-RTBURBONSA-N 0 3 416.978 3.851 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N1CCC[C@H](C)C1 ZINC000517852839 1008013651 /nfs/dbraw/zinc/01/36/51/1008013651.db2.gz DLXKJASZNVIMON-ROUUACIJSA-N 0 3 420.513 3.526 20 30 HHEDHN Cc1nc(NC(=O)CCCN2CCN(c3ccccc3)CC2)sc1SCC#N ZINC000518347111 1008270670 /nfs/dbraw/zinc/27/06/70/1008270670.db2.gz RMYHCGXZNLBRRH-UHFFFAOYSA-N 0 3 415.588 3.608 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)N1CCCC1 ZINC000518462958 1008317998 /nfs/dbraw/zinc/31/79/98/1008317998.db2.gz DWTMIOOPXFCZRH-OXJNMPFZSA-N 0 3 424.932 3.534 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC000518510491 1008332387 /nfs/dbraw/zinc/33/23/87/1008332387.db2.gz RRBNKRLPHRHLPP-UHFFFAOYSA-N 0 3 405.970 3.728 20 30 HHEDHN C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000540432212 1008430900 /nfs/dbraw/zinc/43/09/00/1008430900.db2.gz ODQZRRUOZZATKA-INIZCTEOSA-N 0 3 408.893 3.518 20 30 HHEDHN Cc1ccc(S(=O)(=O)NC[C@H](NCCCSCC#N)c2ccccc2)c(C)c1 ZINC000540456564 1008439732 /nfs/dbraw/zinc/43/97/32/1008439732.db2.gz XMFVYFUAXJTGOX-FQEVSTJZSA-N 0 3 417.600 3.560 20 30 HHEDHN CC[C@@H](C)N(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000540558491 1008481452 /nfs/dbraw/zinc/48/14/52/1008481452.db2.gz HMJRSMDHDKENBN-TZIWHRDSSA-N 0 3 410.587 3.758 20 30 HHEDHN COc1ccccc1C1(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCC1 ZINC000545447773 1008561011 /nfs/dbraw/zinc/56/10/11/1008561011.db2.gz GWPGQXFEMKHUMN-UHFFFAOYSA-N 0 3 420.557 3.762 20 30 HHEDHN CC[NH+](CC)CCCC1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000543023263 1008603915 /nfs/dbraw/zinc/60/39/15/1008603915.db2.gz RKGVLNBZBBPHIZ-UHFFFAOYSA-N 0 3 400.567 3.569 20 30 HHEDHN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549046017 1008612052 /nfs/dbraw/zinc/61/20/52/1008612052.db2.gz AMQQQYCOPHYRLU-OALUTQOASA-N 0 3 422.577 3.552 20 30 HHEDHN N#Cc1ccc(CN2CCC(Nc3ccc(CN4C(=O)CCCC4=O)cc3)CC2)cc1 ZINC000545557205 1008653803 /nfs/dbraw/zinc/65/38/03/1008653803.db2.gz CTRKIQXXCDXOIZ-UHFFFAOYSA-N 0 3 416.525 3.674 20 30 HHEDHN CCN1CC[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549117398 1008684640 /nfs/dbraw/zinc/68/46/40/1008684640.db2.gz VBZPGZCELDFGKM-AZUAARDMSA-N 0 3 406.933 3.547 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000519292958 1008704342 /nfs/dbraw/zinc/70/43/42/1008704342.db2.gz QJRWQTCUEIVNBR-XMMPIXPASA-N 0 3 423.557 3.937 20 30 HHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549476739 1009074125 /nfs/dbraw/zinc/07/41/25/1009074125.db2.gz HDQKDWHKLZMMEK-JJXUHFIVSA-N 0 3 422.976 3.991 20 30 HHEDHN CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000543495837 1009084952 /nfs/dbraw/zinc/08/49/52/1009084952.db2.gz DJYCCHICERJELD-LEWJYISDSA-N 0 3 412.509 3.650 20 30 HHEDHN Cc1cc(COc2ccc(C(=O)C(C#N)c3ccncn3)cc2Br)no1 ZINC000546153129 1009183793 /nfs/dbraw/zinc/18/37/93/1009183793.db2.gz MEYCTEPQYVYWBI-CQSZACIVSA-N 0 3 413.231 3.605 20 30 HHEDHN C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000549731354 1009354672 /nfs/dbraw/zinc/35/46/72/1009354672.db2.gz HIBMMUOOVTUFJB-UHFFFAOYSA-N 0 3 401.599 3.526 20 30 HHEDHN C=C(C)Cn1c(C2CCC2)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549734737 1009357860 /nfs/dbraw/zinc/35/78/60/1009357860.db2.gz QLFCQJLJNZRZFL-KDURUIRLSA-N 0 3 401.599 3.837 20 30 HHEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C[C@@H]1CC=CCC1 ZINC000544106511 1009715905 /nfs/dbraw/zinc/71/59/05/1009715905.db2.gz OGXYTXRBFOAYOZ-MOPGFXCFSA-N 0 3 410.562 3.644 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000520697517 1009764950 /nfs/dbraw/zinc/76/49/50/1009764950.db2.gz JFWCTJQWZVIJLH-RTBURBONSA-N 0 3 412.578 3.967 20 30 HHEDHN Cc1cc(COc2ccc(C(=O)C(C#N)c3ccncn3)cc2Br)on1 ZINC000544815132 1010408040 /nfs/dbraw/zinc/40/80/40/1010408040.db2.gz YUVLIDYJINURMV-CQSZACIVSA-N 0 3 413.231 3.605 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000521508326 1010422940 /nfs/dbraw/zinc/42/29/40/1010422940.db2.gz LDQVWGDZYKUQQX-GOTSBHOMSA-N 0 3 424.520 3.691 20 30 HHEDHN COCCN1CCC[C@@H]1CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000522648104 1011136328 /nfs/dbraw/zinc/13/63/28/1011136328.db2.gz WWKORDUQCUKDRE-QGZVFWFLSA-N 0 3 413.905 3.845 20 30 HHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000540866069 1011543329 /nfs/dbraw/zinc/54/33/29/1011543329.db2.gz YBSNCTAOPSWTEZ-KRWDZBQOSA-N 0 3 406.515 3.613 20 30 HHEDHN COc1ccc(CC[C@@H]2CCCCN2CC(=O)NCc2cccc(C#N)c2)cc1OC ZINC000523197132 1011685324 /nfs/dbraw/zinc/68/53/24/1011685324.db2.gz BSWKDLDYFYGOMU-QFIPXVFZSA-N 0 3 421.541 3.679 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H](c3cccs3)N3CCCC3)n2)c(F)c1 ZINC000541102806 1011749392 /nfs/dbraw/zinc/74/93/92/1011749392.db2.gz ILMKQZQVTINMGO-SFHVURJKSA-N 0 3 424.505 3.903 20 30 HHEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537108449 1012479157 /nfs/dbraw/zinc/47/91/57/1012479157.db2.gz UHBAWZVQZCBOKJ-QZTJIDSGSA-N 0 3 423.536 3.517 20 30 HHEDHN C[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000541690130 1012531537 /nfs/dbraw/zinc/53/15/37/1012531537.db2.gz FREBKFWVYONORI-PONJGIIJSA-N 0 3 416.443 3.716 20 30 HHEDHN C=CCC[C@H](NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 ZINC000537154713 1012550125 /nfs/dbraw/zinc/55/01/25/1012550125.db2.gz BPDYJLSOLJXLAZ-QHCPKHFHSA-N 0 3 405.542 3.705 20 30 HHEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000537249387 1012694522 /nfs/dbraw/zinc/69/45/22/1012694522.db2.gz REICLPPKVJLLPJ-XUZZJYLKSA-N 0 3 422.598 3.978 20 30 HHEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000537249385 1012694611 /nfs/dbraw/zinc/69/46/11/1012694611.db2.gz REICLPPKVJLLPJ-URXFXBBRSA-N 0 3 422.598 3.978 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1-c1cccc(Cl)c1 ZINC000537433167 1012922263 /nfs/dbraw/zinc/92/22/63/1012922263.db2.gz PXMCSQRSJXERLS-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cccc(OCC#N)c1 ZINC000760453779 1072360335 /nfs/dbraw/zinc/36/03/35/1072360335.db2.gz DQZRHYILQQWPIE-UHFFFAOYSA-N 0 3 419.447 3.741 20 30 HHEDHN C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000555267425 1073300307 /nfs/dbraw/zinc/30/03/07/1073300307.db2.gz ZLORZCDIKDXVHJ-UHFFFAOYSA-N 0 3 415.969 3.723 20 30 HHEDHN C=C(C)Cn1c(CC2CC2)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000555268501 1073301135 /nfs/dbraw/zinc/30/11/35/1073301135.db2.gz MKSZVKUXTDWHJZ-OALUTQOASA-N 0 3 401.599 3.522 20 30 HHEDHN COc1cc(Br)ccc1[C@H](C)NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000555316280 1073329264 /nfs/dbraw/zinc/32/92/64/1073329264.db2.gz LOVOSCMOEOJZDZ-YOEHRIQHSA-N 0 3 419.319 3.614 20 30 HHEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000573040056 1074070231 /nfs/dbraw/zinc/07/02/31/1074070231.db2.gz NRULGURFQLCEDD-LJQANCHMSA-N 0 3 406.530 3.632 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CC1 ZINC000592301905 1074719410 /nfs/dbraw/zinc/71/94/10/1074719410.db2.gz CFQGRWCBWAPNIT-UHFFFAOYSA-N 0 3 413.541 3.830 20 30 HHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCCNC(=O)OCc1ccccc1 ZINC000761000564 1075128035 /nfs/dbraw/zinc/12/80/35/1075128035.db2.gz DMDAWEMLNOOUCR-SFHVURJKSA-N 0 3 404.470 3.846 20 30 HHEDHN N#CC(C(=O)CCc1nnc(C2CCCC2)o1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000761035884 1075224809 /nfs/dbraw/zinc/22/48/09/1075224809.db2.gz HQSNCKPNZFODGZ-CYBMUJFWSA-N 0 3 404.829 3.800 20 30 HHEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164898536 721517720 /nfs/dbraw/zinc/51/77/20/721517720.db2.gz ILGVWXNOEPKPKS-AEFFLSMTSA-N 0 3 423.879 3.636 20 30 HHEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164898539 721518310 /nfs/dbraw/zinc/51/83/10/721518310.db2.gz ILGVWXNOEPKPKS-WMZOPIPTSA-N 0 3 423.879 3.636 20 30 HHEDHN N#Cc1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ccc1Cl ZINC001164904031 721586328 /nfs/dbraw/zinc/58/63/28/721586328.db2.gz CPQQTDJPDLSBHX-IBGZPJMESA-N 0 3 403.864 3.739 20 30 HHEDHN N#Cc1ccc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164906229 721691526 /nfs/dbraw/zinc/69/15/26/721691526.db2.gz MLKXZYOFFDFJPK-QFIPXVFZSA-N 0 3 420.467 3.634 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000537539344 1013053565 /nfs/dbraw/zinc/05/35/65/1013053565.db2.gz FDOSXLIEVKJMDQ-NRFANRHFSA-N 0 3 410.493 3.684 20 30 HHEDHN N#Cc1ccc2nc(N3CCC[C@@H](CN4CCN(c5ccccn5)CC4)C3)ccc2c1 ZINC000301970043 971136949 /nfs/dbraw/zinc/13/69/49/971136949.db2.gz CTHJMBJMEYVEJY-NRFANRHFSA-N 0 3 412.541 3.540 20 30 HHEDHN CN(Cc1cccc(C#N)c1)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000303101125 971503539 /nfs/dbraw/zinc/50/35/39/971503539.db2.gz HTAAVGDAIDSSMC-OAQYLSRUSA-N 0 3 401.432 3.971 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)CC1 ZINC000303297600 971608887 /nfs/dbraw/zinc/60/88/87/971608887.db2.gz PKHIAQXZMWDOKB-UHFFFAOYSA-N 0 3 404.917 3.803 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CC1 ZINC000303355817 971654544 /nfs/dbraw/zinc/65/45/44/971654544.db2.gz RPULFIYMWUUBLY-UHFFFAOYSA-N 0 3 417.557 3.924 20 30 HHEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2cc(OC)c(OC)cc2[N+](=O)[O-])c([O-])c1 ZINC000005327322 960706263 /nfs/dbraw/zinc/70/62/63/960706263.db2.gz DQJVJGVUMDFHAR-HYARGMPZSA-N 0 3 401.463 3.825 20 30 HHEDHN N#Cc1cccc(OC2CCN(C[C@H](O)COc3ccccc3C(F)(F)F)CC2)c1 ZINC000542281205 1013242411 /nfs/dbraw/zinc/24/24/11/1013242411.db2.gz ZNNVPBISZBJMFW-KRWDZBQOSA-N 0 3 420.431 3.860 20 30 HHEDHN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN[C@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000542308477 1013266203 /nfs/dbraw/zinc/26/62/03/1013266203.db2.gz DIPPXUCARAPTGZ-ISKFKSNPSA-N 0 3 424.520 3.650 20 30 HHEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000537728659 1013290329 /nfs/dbraw/zinc/29/03/29/1013290329.db2.gz OCSRXYDNWOACTN-QFIPXVFZSA-N 0 3 409.555 3.753 20 30 HHEDHN N#Cc1ccc(CN2CCCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000025303795 964235381 /nfs/dbraw/zinc/23/53/81/964235381.db2.gz FETBRQYPQGMXKC-RUZDIDTESA-N 0 3 415.537 3.659 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000057489915 965473782 /nfs/dbraw/zinc/47/37/82/965473782.db2.gz BWFRQFQGMLNRBJ-UHFFFAOYSA-N 0 3 407.905 3.601 20 30 HHEDHN CN(C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC000058560392 965784247 /nfs/dbraw/zinc/78/42/47/965784247.db2.gz MHMIPKCJMLOUIL-GOSISDBHSA-N 0 3 420.435 3.794 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000058580621 965793200 /nfs/dbraw/zinc/79/32/00/965793200.db2.gz VVRRVTPEHOFOFH-WIOPSUGQSA-N 0 3 405.542 3.525 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1cccc(C(F)(F)F)c1 ZINC000058967277 965975404 /nfs/dbraw/zinc/97/54/04/965975404.db2.gz BIQKDGJGWKVIQV-UHFFFAOYSA-N 0 3 405.420 3.546 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)N(CCOC)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000060531886 966193861 /nfs/dbraw/zinc/19/38/61/966193861.db2.gz LGDMJFWQOGFXTL-QHCPKHFHSA-N 0 3 408.546 3.582 20 30 HHEDHN N#CC(C(=O)c1ccc(-n2cnnn2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041549312 966592279 /nfs/dbraw/zinc/59/22/79/966592279.db2.gz HGSNQCKNPJDWNU-ZDUSSCGKSA-N 0 3 414.372 3.781 20 30 HHEDHN COc1ccc([C@@H](CCO)NCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000538128240 1013690642 /nfs/dbraw/zinc/69/06/42/1013690642.db2.gz LVWMJXZFSSBLRJ-LJQANCHMSA-N 0 3 413.543 3.549 20 30 HHEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3ccc(C(C)C)cc3)C(C)C)CC2)o1 ZINC000538141192 1013702994 /nfs/dbraw/zinc/70/29/94/1013702994.db2.gz KYGAZEQZRLCKMQ-QHCPKHFHSA-N 0 3 423.561 3.614 20 30 HHEDHN C=CCC[C@H](NCC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)c1ccccc1 ZINC000538256088 1013797453 /nfs/dbraw/zinc/79/74/53/1013797453.db2.gz CAXGNKDHWBOHQE-FQEVSTJZSA-N 0 3 404.518 3.823 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000065930748 968720360 /nfs/dbraw/zinc/72/03/60/968720360.db2.gz PCWZQYCGWQWJEH-UHFFFAOYSA-N 0 3 407.905 3.806 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cc1F ZINC000065930910 968721750 /nfs/dbraw/zinc/72/17/50/968721750.db2.gz JZJONDIIVNIIMJ-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CSCc1ccc(C#N)cc1 ZINC000065937599 968726857 /nfs/dbraw/zinc/72/68/57/968726857.db2.gz SDXQFYYUBVIAKS-UHFFFAOYSA-N 0 3 403.498 3.660 20 30 HHEDHN COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000071812401 968861459 /nfs/dbraw/zinc/86/14/59/968861459.db2.gz CKWFUCHDWAAHDZ-SFHVURJKSA-N 0 3 413.543 3.597 20 30 HHEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000109357793 969505369 /nfs/dbraw/zinc/50/53/69/969505369.db2.gz SMYLBRXIILEOEV-MRXNPFEDSA-N 0 3 419.447 3.935 20 30 HHEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000116676012 969913640 /nfs/dbraw/zinc/91/36/40/969913640.db2.gz XWKRSZVMVUHNRC-ZBFHGGJFSA-N 0 3 406.552 3.716 20 30 HHEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000140229700 970069709 /nfs/dbraw/zinc/06/97/09/970069709.db2.gz PPELELWKDBNHAM-FQEVSTJZSA-N 0 3 417.557 3.896 20 30 HHEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)ccc1OC ZINC000237020944 970207778 /nfs/dbraw/zinc/20/77/78/970207778.db2.gz KVBPAZZZRFZNOG-IBGZPJMESA-N 0 3 413.493 3.642 20 30 HHEDHN C=CCOc1ccc(CNCCNC(=O)c2ccc(Br)cc2)cc1OC ZINC000237172650 970235914 /nfs/dbraw/zinc/23/59/14/970235914.db2.gz PFSVOABLIWMBEF-UHFFFAOYSA-N 0 3 419.319 3.542 20 30 HHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cc([N+](=O)[O-])ccc3OC(F)F)C2)c(F)c1 ZINC000237827684 970375783 /nfs/dbraw/zinc/37/57/83/970375783.db2.gz BYPTXGGLDDBHHW-OAHLLOKOSA-N 0 3 420.391 3.966 20 30 HHEDHN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000255308549 970583567 /nfs/dbraw/zinc/58/35/67/970583567.db2.gz BPTZKAVBRDGXTQ-YJBOKZPZSA-N 0 3 422.510 3.616 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000410100196 973575197 /nfs/dbraw/zinc/57/51/97/973575197.db2.gz HAUDRMXVAWWZNP-KRWDZBQOSA-N 0 3 408.340 3.612 20 30 HHEDHN CN1CCN(CCCNC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000426130894 974252369 /nfs/dbraw/zinc/25/23/69/974252369.db2.gz MBWWMHPSFULJSZ-OAQYLSRUSA-N 0 3 411.937 3.712 20 30 HHEDHN CN1CCN(CCCNC(=O)Nc2ccc(C#N)cc2Cl)[C@H](c2ccccc2)C1 ZINC000426130892 974252740 /nfs/dbraw/zinc/25/27/40/974252740.db2.gz MBWWMHPSFULJSZ-NRFANRHFSA-N 0 3 411.937 3.712 20 30 HHEDHN N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCCN3C3CCOCC3)c2)c1 ZINC000427902143 975340668 /nfs/dbraw/zinc/34/06/68/975340668.db2.gz MWDQLOAYCLIWEO-HSZRJFAPSA-N 0 3 405.498 3.719 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Br)c1F ZINC000428190689 975517112 /nfs/dbraw/zinc/51/71/12/975517112.db2.gz GSZHQMCJRYXIRR-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN N#CCCn1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000428274348 975589466 /nfs/dbraw/zinc/58/94/66/975589466.db2.gz HXVXMCACASTUDV-UHFFFAOYSA-N 0 3 413.525 3.858 20 30 HHEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429039336 976325025 /nfs/dbraw/zinc/32/50/25/976325025.db2.gz DLUITNYUUOFGRP-DEOSSOPVSA-N 0 3 423.557 3.684 20 30 HHEDHN CN(CCCC1(C#N)CCOCC1)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429388000 976661617 /nfs/dbraw/zinc/66/16/17/976661617.db2.gz MROADSVMSAKVIS-UHFFFAOYSA-N 0 3 405.542 3.925 20 30 HHEDHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000429395043 976669702 /nfs/dbraw/zinc/66/97/02/976669702.db2.gz AYFOSXMGVXPVHS-ZCYQVOJMSA-N 0 3 412.622 3.706 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C[C@@H](C)O1 ZINC000430693126 977698687 /nfs/dbraw/zinc/69/86/87/977698687.db2.gz ZMSBGRSHOXFJFS-QZTJIDSGSA-N 0 3 401.576 3.654 20 30 HHEDHN COc1ccc(CN2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1OCCCC#N ZINC000430875974 977841614 /nfs/dbraw/zinc/84/16/14/977841614.db2.gz PLYRSTRPMZJQPT-FQEVSTJZSA-N 0 3 407.514 3.863 20 30 HHEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ncc(C#N)cc1Cl ZINC000432534327 978870315 /nfs/dbraw/zinc/87/03/15/978870315.db2.gz JWAXVRKLZNMUSG-UHFFFAOYSA-N 0 3 410.827 3.829 20 30 HHEDHN N#CCCC[C@H](NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000433021718 979044393 /nfs/dbraw/zinc/04/43/93/979044393.db2.gz YCGFGQAHICVTMN-QHCPKHFHSA-N 0 3 418.541 3.564 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436293348 981286560 /nfs/dbraw/zinc/28/65/60/981286560.db2.gz CVYJJLNULATJRC-QIJUGHKUSA-N 0 3 403.519 3.889 20 30 HHEDHN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460565851 982350862 /nfs/dbraw/zinc/35/08/62/982350862.db2.gz IVSBZMWIFRJSME-SFHVURJKSA-N 0 3 401.942 3.760 20 30 HHEDHN CC(C)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460621359 982397909 /nfs/dbraw/zinc/39/79/09/982397909.db2.gz RYTBMUKKMGOAOX-UHFFFAOYSA-N 0 3 415.545 3.580 20 30 HHEDHN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460774590 982527523 /nfs/dbraw/zinc/52/75/23/982527523.db2.gz NZMUPWTYKKZQJQ-FKBYEOEOSA-N 0 3 407.562 3.772 20 30 HHEDHN C=C(C)Cn1c(-c2ccccc2C)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC000460938965 982677204 /nfs/dbraw/zinc/67/72/04/982677204.db2.gz RRVVVVJIUAFBOM-UHFFFAOYSA-N 0 3 419.577 3.627 20 30 HHEDHN CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438661794 982980057 /nfs/dbraw/zinc/98/00/57/982980057.db2.gz AQRIZXGVRNWLII-QFBILLFUSA-N 0 3 424.932 3.834 20 30 HHEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000439231428 983321006 /nfs/dbraw/zinc/32/10/06/983321006.db2.gz BDMBMZDWWOPENR-SFHVURJKSA-N 0 3 417.962 3.744 20 30 HHEDHN N#Cc1ccc(CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC000439447975 983413604 /nfs/dbraw/zinc/41/36/04/983413604.db2.gz GKPUWAMBPHDNSA-HXUWFJFHSA-N 0 3 409.965 3.641 20 30 HHEDHN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000439882621 983568414 /nfs/dbraw/zinc/56/84/14/983568414.db2.gz KKMYHWXXZISAHM-UHFFFAOYSA-N 0 3 422.529 3.723 20 30 HHEDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000439979406 983603183 /nfs/dbraw/zinc/60/31/83/983603183.db2.gz LZFHULSAAXIMTH-HKKHYUGTSA-N 0 3 410.562 3.681 20 30 HHEDHN CN(C(=O)N[C@H](CCC#N)c1ccccc1)C1CCN(CCc2ccccn2)CC1 ZINC000440252200 983698025 /nfs/dbraw/zinc/69/80/25/983698025.db2.gz FSXNDLAKHLUYHW-HSZRJFAPSA-N 0 3 405.546 3.775 20 30 HHEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000441695274 984400739 /nfs/dbraw/zinc/40/07/39/984400739.db2.gz XKPUJTCTMPBAMH-LLGFUMIMSA-N 0 3 424.570 3.684 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccc(OCC)cc3)cc2)CC1 ZINC000442283498 984789590 /nfs/dbraw/zinc/78/95/90/984789590.db2.gz FYKJCBOUFFJPDT-UHFFFAOYSA-N 0 3 423.513 3.583 20 30 HHEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCCO1 ZINC000461843291 984852747 /nfs/dbraw/zinc/85/27/47/984852747.db2.gz SICOPPPYQRUBKB-QFIPXVFZSA-N 0 3 422.577 3.555 20 30 HHEDHN Cc1cccc(N2CCN(CCC(=O)Nc3cccc(OCCCC#N)c3)CC2)c1 ZINC000461885442 984909479 /nfs/dbraw/zinc/90/94/79/984909479.db2.gz FETFORGOMQFDEE-UHFFFAOYSA-N 0 3 406.530 3.828 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000462190523 985172709 /nfs/dbraw/zinc/17/27/09/985172709.db2.gz LXHYKBOFEZWFQB-MBSDFSHPSA-N 0 3 412.493 3.996 20 30 HHEDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000462486094 985441486 /nfs/dbraw/zinc/44/14/86/985441486.db2.gz QAJATGVYUJIUIP-OAQYLSRUSA-N 0 3 408.502 3.626 20 30 HHEDHN C=C(C)COc1cc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)ccc1OC ZINC000462759869 985699222 /nfs/dbraw/zinc/69/92/22/985699222.db2.gz YYFUUZXSCDHIFD-VSKRKVRLSA-N 0 3 406.526 3.897 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000462807408 985738466 /nfs/dbraw/zinc/73/84/66/985738466.db2.gz AYKMQOXFIHZJLH-QVKFZJNVSA-N 0 3 406.555 3.803 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000463203104 986174746 /nfs/dbraw/zinc/17/47/46/986174746.db2.gz JKADYILHQIIMJX-DNVJHFABSA-N 0 3 413.562 3.738 20 30 HHEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1C ZINC000468479530 986175434 /nfs/dbraw/zinc/17/54/34/986175434.db2.gz OWPVAIZMPAPPIT-NRFANRHFSA-N 0 3 407.562 3.931 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1C#N ZINC000444454423 986637231 /nfs/dbraw/zinc/63/72/31/986637231.db2.gz NRSFOCILRVOWER-UHFFFAOYSA-N 0 3 422.554 3.762 20 30 HHEDHN CC(C)N(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CCC1 ZINC000444771515 986931612 /nfs/dbraw/zinc/93/16/12/986931612.db2.gz PNSQLCHPKZYRMQ-LJQANCHMSA-N 0 3 412.578 3.867 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000444806738 986962789 /nfs/dbraw/zinc/96/27/89/986962789.db2.gz WZOUWWAEXWRFGO-SJORKVTESA-N 0 3 409.452 3.776 20 30 HHEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000469584280 987249998 /nfs/dbraw/zinc/24/99/98/987249998.db2.gz FBNXCIBCKFWGQQ-KRWDZBQOSA-N 0 3 411.525 3.811 20 30 HHEDHN CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)CC1 ZINC000470532663 988536136 /nfs/dbraw/zinc/53/61/36/988536136.db2.gz YARMKSDTDIDVQW-DNQXCXABSA-N 0 3 402.542 3.740 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(C(=O)OC)sc1C ZINC000464783833 989012865 /nfs/dbraw/zinc/01/28/65/989012865.db2.gz RCASURNHEKZILU-UHFFFAOYSA-N 0 3 420.604 3.941 20 30 HHEDHN Cc1ccc([C@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)c(C)c1 ZINC000471012621 989081832 /nfs/dbraw/zinc/08/18/32/989081832.db2.gz RJEISHRDROYLMO-RBBKRZOGSA-N 0 3 422.598 3.563 20 30 HHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000471489275 989685902 /nfs/dbraw/zinc/68/59/02/989685902.db2.gz SHPGCVVFXNUBFN-IBGZPJMESA-N 0 3 416.529 3.578 20 30 HHEDHN COC(=O)c1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)cc1C ZINC000471856142 990028711 /nfs/dbraw/zinc/02/87/11/990028711.db2.gz JINKFDGRYFKCKA-UHFFFAOYSA-N 0 3 408.502 3.557 20 30 HHEDHN CN1CC[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1c1ccccc1 ZINC000471956794 990121559 /nfs/dbraw/zinc/12/15/59/990121559.db2.gz GDULFOCPFIJWEI-GHTZIAJQSA-N 0 3 420.904 3.964 20 30 HHEDHN CN1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H]1c1ccccc1 ZINC000471957432 990122490 /nfs/dbraw/zinc/12/24/90/990122490.db2.gz VFLMFPKFEZXESX-RXVVDRJESA-N 0 3 420.904 3.964 20 30 HHEDHN CN(C)[C@H](CNc1ccc(C#N)c(NC[C@@H](c2ccco2)N(C)C)n1)c1ccco1 ZINC000472040797 990211304 /nfs/dbraw/zinc/21/13/04/990211304.db2.gz AETYTWVUMVEWMR-MSOLQXFVSA-N 0 3 408.506 3.569 20 30 HHEDHN CC(C)[C@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCc2ccccc2C1 ZINC000466593539 991909108 /nfs/dbraw/zinc/90/91/08/991909108.db2.gz QVRAXERODXOWIH-NRFANRHFSA-N 0 3 421.545 3.969 20 30 HHEDHN CN(C(=O)Nc1ncccc1OCCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466603117 991919478 /nfs/dbraw/zinc/91/94/78/991919478.db2.gz AJGPZQZMRHTEED-FQEVSTJZSA-N 0 3 407.518 3.892 20 30 HHEDHN C[C@H]1CCc2ccccc2N1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000467529619 992807267 /nfs/dbraw/zinc/80/72/67/992807267.db2.gz BOLDFTCHGPJOPG-FQEVSTJZSA-N 0 3 404.558 3.680 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000467546021 992825311 /nfs/dbraw/zinc/82/53/11/992825311.db2.gz JOPMAOAKCGBSGZ-UHFFFAOYSA-N 0 3 420.557 3.853 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN([C@@H](C)CO)C2CCCC2)c1C#N ZINC000472609585 993560356 /nfs/dbraw/zinc/56/03/56/993560356.db2.gz HSIZQDADBPTIIG-HNNXBMFYSA-N 0 3 412.509 3.669 20 30 HHEDHN CCOC(=O)C[C@](C)(NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000481705645 994566450 /nfs/dbraw/zinc/56/64/50/994566450.db2.gz VBUYTWQRELGQAM-QHCPKHFHSA-N 0 3 416.566 3.988 20 30 HHEDHN CCOC(=O)C[C@@](C)(NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000481705644 994566675 /nfs/dbraw/zinc/56/66/75/994566675.db2.gz VBUYTWQRELGQAM-HSZRJFAPSA-N 0 3 416.566 3.988 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000473988204 994976115 /nfs/dbraw/zinc/97/61/15/994976115.db2.gz SFQNLMNGZDKXOF-NFBKMPQASA-N 0 3 409.530 3.646 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000482132853 995083026 /nfs/dbraw/zinc/08/30/26/995083026.db2.gz IQQUVDIHWGFLLU-FQEVSTJZSA-N 0 3 408.546 3.899 20 30 HHEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000474209993 995204830 /nfs/dbraw/zinc/20/48/30/995204830.db2.gz KOPCDCHPZFGGFC-QHCPKHFHSA-N 0 3 409.555 3.544 20 30 HHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000474231044 995226952 /nfs/dbraw/zinc/22/69/52/995226952.db2.gz LWZAANUXRPVDKF-HSZRJFAPSA-N 0 3 404.558 3.756 20 30 HHEDHN COc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1OCC(=O)NC(C)C ZINC000474428116 995391217 /nfs/dbraw/zinc/39/12/17/995391217.db2.gz CQKAUBIELUZZIO-HNNXBMFYSA-N 0 3 415.515 3.669 20 30 HHEDHN COc1ccc(CN2CCC(c3nnc4n3CCCC4)CC2)cc1OCCCC#N ZINC000482480619 995486391 /nfs/dbraw/zinc/48/63/91/995486391.db2.gz CCDDCZCBLOSSDA-UHFFFAOYSA-N 0 3 409.534 3.685 20 30 HHEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000474792244 995712739 /nfs/dbraw/zinc/71/27/39/995712739.db2.gz VBDCEBBUOXOQQQ-LJQANCHMSA-N 0 3 422.598 3.606 20 30 HHEDHN CCN1CCN(Cc2ccc(CNC(=O)C[C@H](CC#N)c3ccccc3)cc2)CC1 ZINC000474906361 995792343 /nfs/dbraw/zinc/79/23/43/995792343.db2.gz OHLWQWMEOOTIJU-DEOSSOPVSA-N 0 3 404.558 3.528 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000475131736 995943005 /nfs/dbraw/zinc/94/30/05/995943005.db2.gz VTLISPIOIXAJLM-IBGZPJMESA-N 0 3 411.468 3.829 20 30 HHEDHN C=C(C)[C@@H](NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000483315044 996093914 /nfs/dbraw/zinc/09/39/14/996093914.db2.gz NAXBLZMQTVCCDK-FYYLOGMGSA-N 0 3 415.484 3.518 20 30 HHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000483432413 996175557 /nfs/dbraw/zinc/17/55/57/996175557.db2.gz IFKKQULGGCISBS-NSHDSACASA-N 0 3 411.252 3.951 20 30 HHEDHN CC[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1ccccc1F ZINC000483984177 996505882 /nfs/dbraw/zinc/50/58/82/996505882.db2.gz SKKCAKKFGBABEA-HXUWFJFHSA-N 0 3 412.509 3.628 20 30 HHEDHN CN(C)C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 ZINC000476495068 996980592 /nfs/dbraw/zinc/98/05/92/996980592.db2.gz XPTVBMDDZUZRIH-LZBANZJXSA-N 0 3 406.530 3.850 20 30 HHEDHN CCN1CCN(c2ccc(N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c(C)c2)CC1 ZINC000484986156 997348773 /nfs/dbraw/zinc/34/87/73/997348773.db2.gz HGDMOQINJZRGJT-DEOSSOPVSA-N 0 3 417.557 3.616 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])cc1OC ZINC000485370597 997796100 /nfs/dbraw/zinc/79/61/00/997796100.db2.gz FKYYWKWXKPSTTN-UHFFFAOYSA-N 0 3 417.535 3.702 20 30 HHEDHN C=CCN1CCC(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)CC1 ZINC000485603896 998050404 /nfs/dbraw/zinc/05/04/04/998050404.db2.gz HJXIBMNNIAUFQX-UHFFFAOYSA-N 0 3 408.271 3.623 20 30 HHEDHN CCN(C[C@@H]1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1)CC(F)(F)F ZINC000477713454 998435034 /nfs/dbraw/zinc/43/50/34/998435034.db2.gz DPEGGOFGOHQRHK-NRGCRIOASA-N 0 3 416.532 3.512 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)N(C)Cc1ccccc1 ZINC000478143477 998784101 /nfs/dbraw/zinc/78/41/01/998784101.db2.gz JOHOCNHXCPQDKE-ZWKOTPCHSA-N 0 3 424.570 3.514 20 30 HHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486821986 998955870 /nfs/dbraw/zinc/95/58/70/998955870.db2.gz NTZGMNMYTMCLAD-MFSJNOQSSA-N 0 3 406.530 3.679 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(/C=C\c2ccco2)s1 ZINC000486939844 999012964 /nfs/dbraw/zinc/01/29/64/999012964.db2.gz GWAHBBYFBSVXQC-KTKRTIGZSA-N 0 3 422.514 3.769 20 30 HHEDHN CN(CCN1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1)Cc1ccccc1 ZINC000488175162 999402457 /nfs/dbraw/zinc/40/24/57/999402457.db2.gz HPJYLRSVJCHFHM-UHFFFAOYSA-N 0 3 421.495 3.639 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000488332720 999444468 /nfs/dbraw/zinc/44/44/68/999444468.db2.gz TWFPCYRZUQWAKJ-DLBZAZTESA-N 0 3 402.564 3.798 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1csc(-c2ccco2)n1 ZINC000479591136 999492717 /nfs/dbraw/zinc/49/27/17/999492717.db2.gz LSOVPBABZXVULG-UHFFFAOYSA-N 0 3 409.515 3.548 20 30 HHEDHN Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000488482792 999503004 /nfs/dbraw/zinc/50/30/04/999503004.db2.gz SDSISISGYNZVSB-KKSFZXQISA-N 0 3 424.932 3.628 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC(=O)Nc1ccccc1C ZINC000488556429 999526967 /nfs/dbraw/zinc/52/69/67/999526967.db2.gz CRUXPLKHRIHSLJ-UHFFFAOYSA-N 0 3 413.591 3.922 20 30 HHEDHN Cc1nccn1-c1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000479947456 999658954 /nfs/dbraw/zinc/65/89/54/999658954.db2.gz IDLQYIZOBFUDMI-UHFFFAOYSA-N 0 3 400.461 3.882 20 30 HHEDHN Cn1cc(CN[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000480075704 999710320 /nfs/dbraw/zinc/71/03/20/999710320.db2.gz VSKRNYHSGMEVPH-SFHVURJKSA-N 0 3 405.889 3.507 20 30 HHEDHN C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000480296775 999765060 /nfs/dbraw/zinc/76/50/60/999765060.db2.gz BKKSEOSHFOQIRC-QVKFZJNVSA-N 0 3 406.465 3.696 20 30 HHEDHN C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000480296779 999765374 /nfs/dbraw/zinc/76/53/74/999765374.db2.gz BKKSEOSHFOQIRC-YCRPNKLZSA-N 0 3 406.465 3.696 20 30 HHEDHN CN(CCNC(=O)C1CCN(Cc2ccc(Cl)cc2C#N)CC1)Cc1ccccc1 ZINC000480565749 999828091 /nfs/dbraw/zinc/82/80/91/999828091.db2.gz HCQBISLONRAYJI-UHFFFAOYSA-N 0 3 424.976 3.672 20 30 HHEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[C@H]2C1 ZINC000490396561 999950784 /nfs/dbraw/zinc/95/07/84/999950784.db2.gz DLOJWGQRNRHEBJ-REWPJTCUSA-N 0 3 404.514 3.890 20 30 HHEDHN C=CCn1c(SCCN2CCC(C)CC2)nnc1[C@@H]1COc2ccccc2O1 ZINC000492555607 1000132199 /nfs/dbraw/zinc/13/21/99/1000132199.db2.gz DKTJBMGDVRJOMW-IBGZPJMESA-N 0 3 400.548 3.801 20 30 HHEDHN N#Cc1ccccc1OCCN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493661478 1000183617 /nfs/dbraw/zinc/18/36/17/1000183617.db2.gz SZNKYFQUZUPFIS-INIZCTEOSA-N 0 3 415.419 3.878 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)CC1 ZINC000493836210 1000196659 /nfs/dbraw/zinc/19/66/59/1000196659.db2.gz OZCSBJCMAZUMBW-RTBURBONSA-N 0 3 412.361 3.633 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CC1 ZINC000493836208 1000196703 /nfs/dbraw/zinc/19/67/03/1000196703.db2.gz OZCSBJCMAZUMBW-OALUTQOASA-N 0 3 412.361 3.633 20 30 HHEDHN N#Cc1ccc(N2CCC(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC2)c(F)c1 ZINC000505236037 1000637397 /nfs/dbraw/zinc/63/73/97/1000637397.db2.gz SXCLWNBHUZEWTG-QHCPKHFHSA-N 0 3 420.532 3.867 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)c3cc(C#N)ccc3Cl)CC2)c1 ZINC000505274634 1000663004 /nfs/dbraw/zinc/66/30/04/1000663004.db2.gz USUDXWVCBWYFFR-UHFFFAOYSA-N 0 3 410.949 3.852 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C)CC12CCCCC2 ZINC000494891761 1000715027 /nfs/dbraw/zinc/71/50/27/1000715027.db2.gz KDKUOIXSGQMPGE-GOSISDBHSA-N 0 3 400.592 3.970 20 30 HHEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000505425830 1000764213 /nfs/dbraw/zinc/76/42/13/1000764213.db2.gz DGHOGFFLMDBTLG-SFHVURJKSA-N 0 3 403.438 3.974 20 30 HHEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000505439720 1000774522 /nfs/dbraw/zinc/77/45/22/1000774522.db2.gz ZXURQTQWEMVJGF-INIZCTEOSA-N 0 3 407.451 3.836 20 30 HHEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000505439721 1000774609 /nfs/dbraw/zinc/77/46/09/1000774609.db2.gz ZXURQTQWEMVJGF-MRXNPFEDSA-N 0 3 407.451 3.836 20 30 HHEDHN CC(C)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)N1CCc2ccccc2C1 ZINC000505617573 1000936602 /nfs/dbraw/zinc/93/66/02/1000936602.db2.gz ZRMWNJDWFUZYRX-QHCPKHFHSA-N 0 3 405.517 3.928 20 30 HHEDHN N#Cc1ccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)o1 ZINC000497401258 1001339651 /nfs/dbraw/zinc/33/96/51/1001339651.db2.gz YXFCXCIKRMONOO-UHFFFAOYSA-N 0 3 400.482 3.768 20 30 HHEDHN C[C@H](SCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000497888329 1001551399 /nfs/dbraw/zinc/55/13/99/1001551399.db2.gz CVQUVQYXQVJMNO-KRWDZBQOSA-N 0 3 421.570 3.819 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)NC1CCCC1)C(C)C ZINC000497928722 1001568709 /nfs/dbraw/zinc/56/87/09/1001568709.db2.gz WSXHMLVABOCHAE-HXUWFJFHSA-N 0 3 419.639 3.668 20 30 HHEDHN CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000498028573 1001612276 /nfs/dbraw/zinc/61/22/76/1001612276.db2.gz CIDUQUVKRSAXPL-PZJWPPBQSA-N 0 3 420.557 3.892 20 30 HHEDHN CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000498028573 1001612281 /nfs/dbraw/zinc/61/22/81/1001612281.db2.gz CIDUQUVKRSAXPL-PZJWPPBQSA-N 0 3 420.557 3.892 20 30 HHEDHN CCC(CC)[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000498388463 1001817975 /nfs/dbraw/zinc/81/79/75/1001817975.db2.gz DWMONQJFBXTRMI-FCHUYYIVSA-N 0 3 400.567 3.615 20 30 HHEDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000507284519 1001968226 /nfs/dbraw/zinc/96/82/26/1001968226.db2.gz OFJPTQCLPIUHKG-ZIAGYGMSSA-N 0 3 417.497 3.612 20 30 HHEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000507419392 1002060889 /nfs/dbraw/zinc/06/08/89/1002060889.db2.gz HOCDBNCFFQJZTD-QVKFZJNVSA-N 0 3 402.498 3.634 20 30 HHEDHN CC(C)(C(=O)NCCCCN1CCN(c2ccccc2)CC1)c1cc(F)cc(C#N)c1 ZINC000507681559 1002275429 /nfs/dbraw/zinc/27/54/29/1002275429.db2.gz BLLGBBVGCWJJBF-UHFFFAOYSA-N 0 3 422.548 3.694 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H](c3nnc(C4CC4)[nH]3)C1)CCCC2 ZINC000498910072 1002303764 /nfs/dbraw/zinc/30/37/64/1002303764.db2.gz BUXFPAGJEPRJHX-OAHLLOKOSA-N 0 3 424.574 3.702 20 30 HHEDHN Cc1c(NC(=O)CCN2CCC(Oc3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000507848553 1002387435 /nfs/dbraw/zinc/38/74/35/1002387435.db2.gz VZEYHCSCCQMMAQ-UHFFFAOYSA-N 0 3 408.458 3.647 20 30 HHEDHN C/C=C/c1ccc(OC[C@@H](O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000507850829 1002389543 /nfs/dbraw/zinc/38/95/43/1002389543.db2.gz YWTSKPNQYMTKDJ-SHTLVRLNSA-N 0 3 422.525 3.883 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)ccc1F ZINC000499061041 1002444741 /nfs/dbraw/zinc/44/47/41/1002444741.db2.gz YELNGPRGLNMWAP-UHFFFAOYSA-N 0 3 404.283 3.664 20 30 HHEDHN N#Cc1ccc(CSCC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000508070586 1002593089 /nfs/dbraw/zinc/59/30/89/1002593089.db2.gz LOZCIYUJDIRDCY-UHFFFAOYSA-N 0 3 409.555 3.634 20 30 HHEDHN C=CCn1c(-c2ncccc2C)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508845949 1003267211 /nfs/dbraw/zinc/26/72/11/1003267211.db2.gz DTDWTJFDJLFFLL-PMACEKPBSA-N 0 3 424.593 3.550 20 30 HHEDHN C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508913547 1003352832 /nfs/dbraw/zinc/35/28/32/1003352832.db2.gz PIJDEUFFLBTZFZ-GHTZIAJQSA-N 0 3 413.566 3.779 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(OC)c2OC2CCCC2)CC1 ZINC000500833339 1003989850 /nfs/dbraw/zinc/98/98/50/1003989850.db2.gz HKDXCOKWUQTANV-UHFFFAOYSA-N 0 3 401.551 3.856 20 30 HHEDHN Cc1nccn1CCCCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501046173 1004147295 /nfs/dbraw/zinc/14/72/95/1004147295.db2.gz LLYPTLGDNPPQEU-FQEVSTJZSA-N 0 3 416.367 3.617 20 30 HHEDHN C=CCn1c(Cc2ccccc2)nnc1SC[C@H](O)CN1CCc2ccccc2C1 ZINC000512504324 1004347371 /nfs/dbraw/zinc/34/73/71/1004347371.db2.gz QHDCFHHTXZMWDM-JOCHJYFZSA-N 0 3 420.582 3.566 20 30 HHEDHN CC(C)n1ncc2cc(CN3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cnc21 ZINC000512622300 1004436497 /nfs/dbraw/zinc/43/64/97/1004436497.db2.gz LKDGBFSSZFQBKD-UHFFFAOYSA-N 0 3 402.502 3.735 20 30 HHEDHN CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3ccc(C#N)cc3F)CC2)cc1 ZINC000512637013 1004449546 /nfs/dbraw/zinc/44/95/46/1004449546.db2.gz QPMDPWVWCVOLGY-MRXNPFEDSA-N 0 3 415.534 3.811 20 30 HHEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000510385803 1004526778 /nfs/dbraw/zinc/52/67/78/1004526778.db2.gz DHMDFLPJIVYIMV-JOCHJYFZSA-N 0 3 406.530 3.925 20 30 HHEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000512950500 1004721127 /nfs/dbraw/zinc/72/11/27/1004721127.db2.gz BOEUEYCFKJGDOQ-INIZCTEOSA-N 0 3 407.451 3.851 20 30 HHEDHN Cc1nc(COc2ccccc2C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)no1 ZINC000513167243 1004841835 /nfs/dbraw/zinc/84/18/35/1004841835.db2.gz VBMNCMBLMXQIOZ-CQSZACIVSA-N 0 3 402.332 3.861 20 30 HHEDHN N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)c1 ZINC000502028055 1004870105 /nfs/dbraw/zinc/87/01/05/1004870105.db2.gz CSRPDPQSFRBRGF-UHFFFAOYSA-N 0 3 416.525 3.645 20 30 HHEDHN C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000513241051 1004876840 /nfs/dbraw/zinc/87/68/40/1004876840.db2.gz GLGVQNSIJBEWKD-GIVPXCGWSA-N 0 3 408.571 3.540 20 30 HHEDHN C=CCn1c(SC[C@H](O)CN2CCc3ccccc3C2)nnc1-c1ccoc1C ZINC000513516441 1005000446 /nfs/dbraw/zinc/00/04/46/1005000446.db2.gz WPSNPJYJNUASIU-LJQANCHMSA-N 0 3 410.543 3.544 20 30 HHEDHN C[C@@H]1CCC[C@H](N(CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000513959647 1005203275 /nfs/dbraw/zinc/20/32/75/1005203275.db2.gz QUPXAWFSTHKLNF-ODNSNXTGSA-N 0 3 411.546 3.850 20 30 HHEDHN N#Cc1cccc(CNC(=O)CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 ZINC000511542374 1005216976 /nfs/dbraw/zinc/21/69/76/1005216976.db2.gz OJDOMCZIMIPDRL-HXUWFJFHSA-N 0 3 403.404 3.814 20 30 HHEDHN Cc1nccn1CCCN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000503048899 1005327619 /nfs/dbraw/zinc/32/76/19/1005327619.db2.gz QQVXJPHLSUUABY-UHFFFAOYSA-N 0 3 422.508 3.570 20 30 HHEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000503491064 1005435655 /nfs/dbraw/zinc/43/56/55/1005435655.db2.gz FWSFRUXQFVJGFT-NRFANRHFSA-N 0 3 408.502 3.924 20 30 HHEDHN CCN1CC[C@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000514426195 1005984829 /nfs/dbraw/zinc/98/48/29/1005984829.db2.gz MUEAIYYOTAJEJX-WNYOCNMUSA-N 0 3 422.495 3.560 20 30 HHEDHN Cc1ccc(CSCCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000514458527 1005998051 /nfs/dbraw/zinc/99/80/51/1005998051.db2.gz OSLFRBQLUKLWTI-UHFFFAOYSA-N 0 3 410.587 3.873 20 30 HHEDHN C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000515239247 1006351911 /nfs/dbraw/zinc/35/19/11/1006351911.db2.gz AKVJJEIWXIIHQA-IBGZPJMESA-N 0 3 419.550 3.885 20 30 HHEDHN COCCOc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)nc2ccccc21 ZINC000534668273 1006645295 /nfs/dbraw/zinc/64/52/95/1006645295.db2.gz RLCOKYUOSFOXPT-INIZCTEOSA-N 0 3 400.438 3.637 20 30 HHEDHN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000538390571 1006660642 /nfs/dbraw/zinc/66/06/42/1006660642.db2.gz SDQSSHKYAPIWPT-SJMXVYMZSA-N 0 3 411.546 3.818 20 30 HHEDHN C=CCC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538391496 1006661445 /nfs/dbraw/zinc/66/14/45/1006661445.db2.gz GGIHVWXUBJFYEM-ZEQRLZLVSA-N 0 3 420.532 3.832 20 30 HHEDHN C=CCN1CCC(NC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000534714170 1006700484 /nfs/dbraw/zinc/70/04/84/1006700484.db2.gz LTWFNTNWPCCXCP-UHFFFAOYSA-N 0 3 404.967 3.956 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1-c1ccc(Cl)cc1 ZINC000538654486 1006927380 /nfs/dbraw/zinc/92/73/80/1006927380.db2.gz LFMLSLYGHGJNMD-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN(C1CC1)C1CCCC1)CCCC2 ZINC000532563307 1006994846 /nfs/dbraw/zinc/99/48/46/1006994846.db2.gz XQCFAHQDEYUAFC-LJQANCHMSA-N 0 3 410.562 3.763 20 30 HHEDHN N#Cc1cccc(COc2cccc(CN[C@@H]3CCCN(CC(F)(F)F)C3=O)c2)c1 ZINC000532569789 1007001702 /nfs/dbraw/zinc/00/17/02/1007001702.db2.gz YCGWBRQSPALJRV-HXUWFJFHSA-N 0 3 417.431 3.780 20 30 HHEDHN CCCc1nc2ccccc2n1CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000538789206 1007071376 /nfs/dbraw/zinc/07/13/76/1007071376.db2.gz OYTIITOTFOPXKW-UHFFFAOYSA-N 0 3 417.557 3.841 20 30 HHEDHN CCN(C[C@@H](C)C#N)C(=O)CN(Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000538788665 1007071848 /nfs/dbraw/zinc/07/18/48/1007071848.db2.gz ULRLLVMVKZFIIX-SFHVURJKSA-N 0 3 401.551 3.847 20 30 HHEDHN CN(CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)Cc1ccccc1 ZINC000516622261 1007199310 /nfs/dbraw/zinc/19/93/10/1007199310.db2.gz JGLZICRDJRGRRV-UHFFFAOYSA-N 0 3 405.527 3.859 20 30 HHEDHN Cc1nc2ccccc2n1C[C@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000535207637 1007256415 /nfs/dbraw/zinc/25/64/15/1007256415.db2.gz RIWBCBLZFBZIQA-OAQYLSRUSA-N 0 3 401.514 3.756 20 30 HHEDHN CCCN(Cc1cccc(C(=O)OC)c1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000535208022 1007257435 /nfs/dbraw/zinc/25/74/35/1007257435.db2.gz WAJMHXWESAIELG-UHFFFAOYSA-N 0 3 419.525 3.862 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCCN(Cc2ccccc2)CC1 ZINC000532907946 1007283063 /nfs/dbraw/zinc/28/30/63/1007283063.db2.gz ONXTXXAWYPLPOW-OAQYLSRUSA-N 0 3 420.557 3.538 20 30 HHEDHN C=CCc1cc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000535397610 1007463995 /nfs/dbraw/zinc/46/39/95/1007463995.db2.gz FGKVLVMKQKNNKI-IFMALSPDSA-N 0 3 409.530 3.677 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2onc(C(C)(C)C)c2c1 ZINC000517282852 1007536486 /nfs/dbraw/zinc/53/64/86/1007536486.db2.gz NDKABBGHNYIYPQ-UHFFFAOYSA-N 0 3 405.502 3.596 20 30 HHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000539330970 1007631331 /nfs/dbraw/zinc/63/13/31/1007631331.db2.gz STOKVDGAVHHNAA-VQTJNVASSA-N 0 3 416.529 3.870 20 30 HHEDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000539365383 1007668622 /nfs/dbraw/zinc/66/86/22/1007668622.db2.gz RMKBIXPHVRVLLE-KCZVDYSFSA-N 0 3 422.598 3.643 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N1CCC[C@@H](C)C1 ZINC000517524795 1007742890 /nfs/dbraw/zinc/74/28/90/1007742890.db2.gz LXLPEEYWPNGQGF-MSOLQXFVSA-N 0 3 420.513 3.526 20 30 HHEDHN COC1CCC(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 ZINC000533436137 1007749384 /nfs/dbraw/zinc/74/93/84/1007749384.db2.gz DFWJXLZJORCTEC-UHFFFAOYSA-N 0 3 412.509 3.933 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000533501258 1007811794 /nfs/dbraw/zinc/81/17/94/1007811794.db2.gz ZRPMBOLTBDPBLO-QFIPXVFZSA-N 0 3 412.505 3.645 20 30 HHEDHN C=CCN1CCC(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000518016653 1008105974 /nfs/dbraw/zinc/10/59/74/1008105974.db2.gz NPVYRUVXYVFSPX-LJQANCHMSA-N 0 3 408.949 3.566 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCSCc2ccccc2C#N)C1 ZINC000518402199 1008289900 /nfs/dbraw/zinc/28/99/00/1008289900.db2.gz PUQJUGHMGZSVLX-XMSQKQJNSA-N 0 3 408.571 3.926 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2nc(CCC)n(-c3ccccc3Cl)n2)CC1 ZINC000518508537 1008331952 /nfs/dbraw/zinc/33/19/52/1008331952.db2.gz XLBWEFCJFNUQRW-UHFFFAOYSA-N 0 3 401.942 3.644 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)CC1 ZINC000518513266 1008333657 /nfs/dbraw/zinc/33/36/57/1008333657.db2.gz ZLTMNBGUQXQVRA-UHFFFAOYSA-N 0 3 410.518 3.722 20 30 HHEDHN CC[C@@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1 ZINC000540343660 1008389999 /nfs/dbraw/zinc/38/99/99/1008389999.db2.gz BOVMGOQMNZUNJN-HXUWFJFHSA-N 0 3 404.432 3.923 20 30 HHEDHN C=CCOc1cccnc1C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000540423969 1008427128 /nfs/dbraw/zinc/42/71/28/1008427128.db2.gz NZWUXGOMWPPSEB-FQEVSTJZSA-N 0 3 417.513 3.851 20 30 HHEDHN CC(C)(C)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000540468463 1008443607 /nfs/dbraw/zinc/44/36/07/1008443607.db2.gz PCSVFSPFEUMQBF-SIKLNZKXSA-N 0 3 410.587 3.834 20 30 HHEDHN N#C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849198 1008444801 /nfs/dbraw/zinc/44/48/01/1008444801.db2.gz SMHWHBWOPOUDLH-HKUYNNGSSA-N 0 3 402.420 3.693 20 30 HHEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H](c2ccccc2)C2CCC2)CC1 ZINC000540554413 1008479210 /nfs/dbraw/zinc/47/92/10/1008479210.db2.gz VWPMDCJJSYFGCG-UKILVPOCSA-N 0 3 420.532 3.666 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cccnc2SCc2c(C)noc2C)CC1 ZINC000519270299 1008679886 /nfs/dbraw/zinc/67/98/86/1008679886.db2.gz GNDYWNGROIQTHW-UHFFFAOYSA-N 0 3 400.548 3.749 20 30 HHEDHN C[C@H](N[C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)N(C)CCC#N ZINC000549116092 1008683348 /nfs/dbraw/zinc/68/33/48/1008683348.db2.gz NJHOVEMJOGMPHC-GDIGMMSISA-N 0 3 408.949 3.743 20 30 HHEDHN COc1cccc([C@@H]2[C@@H](NCC(=O)Nc3cc(Cl)ccc3C#N)CCN2C2CC2)c1 ZINC000549116446 1008683915 /nfs/dbraw/zinc/68/39/15/1008683915.db2.gz PLTXVGYLYSFJFE-NZQKXSOJSA-N 0 3 424.932 3.726 20 30 HHEDHN CCN1CC[C@@H](NCC(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549117402 1008685344 /nfs/dbraw/zinc/68/53/44/1008685344.db2.gz VBZPGZCELDFGKM-QUCCMNQESA-N 0 3 406.933 3.547 20 30 HHEDHN N#Cc1ccc(CNCc2cccc(OCCN3CCOCC3)c2)c(C(F)(F)F)c1 ZINC000519719338 1008974314 /nfs/dbraw/zinc/97/43/14/1008974314.db2.gz CQPHLFZJEIMYAW-UHFFFAOYSA-N 0 3 419.447 3.578 20 30 HHEDHN N#CC(C(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccncn1 ZINC000546153434 1009185025 /nfs/dbraw/zinc/18/50/25/1009185025.db2.gz LTCPZIKGBZNCBG-MRXNPFEDSA-N 0 3 421.254 3.981 20 30 HHEDHN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000549655064 1009282622 /nfs/dbraw/zinc/28/26/22/1009282622.db2.gz LQKQAZHDEWRZSX-QFIPXVFZSA-N 0 3 423.561 3.821 20 30 HHEDHN C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC000549655160 1009282854 /nfs/dbraw/zinc/28/28/54/1009282854.db2.gz OAPVMPJSYXAQCF-UHFFFAOYSA-N 0 3 419.932 3.615 20 30 HHEDHN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000549693087 1009322648 /nfs/dbraw/zinc/32/26/48/1009322648.db2.gz HAFSLUAADYKUOX-NRFANRHFSA-N 0 3 401.599 3.526 20 30 HHEDHN C=CCN(Cc1cc(Cl)c2c(c1)OCCO2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195010 1009334802 /nfs/dbraw/zinc/33/48/02/1009334802.db2.gz PJOKGJFBQMJQRS-HNNXBMFYSA-N 0 3 411.893 3.836 20 30 HHEDHN N#Cc1c(NC(=O)CCN[C@H](CO)c2cccc(F)c2)sc2c1CCCCC2 ZINC000543811731 1009373984 /nfs/dbraw/zinc/37/39/84/1009373984.db2.gz WJICPVYTOSMSEL-GOSISDBHSA-N 0 3 401.507 3.680 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000543885194 1009461053 /nfs/dbraw/zinc/46/10/53/1009461053.db2.gz WPWMBHSRZPUESN-LPHOPBHVSA-N 0 3 418.476 3.840 20 30 HHEDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000520977455 1010019113 /nfs/dbraw/zinc/01/91/13/1010019113.db2.gz RHRCDJJLMZREBC-INIZCTEOSA-N 0 3 412.515 3.537 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)cc1 ZINC000544514252 1010138750 /nfs/dbraw/zinc/13/87/50/1010138750.db2.gz ITLVBNGJYKXOJP-RHGYRFJNSA-N 0 3 407.514 3.875 20 30 HHEDHN N#Cc1cc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)ccc1Cl ZINC000544617656 1010242964 /nfs/dbraw/zinc/24/29/64/1010242964.db2.gz YKIFJHVUGKHKFD-UHFFFAOYSA-N 0 3 401.869 3.624 20 30 HHEDHN CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544848652 1010433505 /nfs/dbraw/zinc/43/35/05/1010433505.db2.gz CXUZYRMXPBTWAD-JOCHJYFZSA-N 0 3 421.541 3.849 20 30 HHEDHN Cc1cc(NC(=O)c2ccc(F)c(C#N)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000551302830 1010504816 /nfs/dbraw/zinc/50/48/16/1010504816.db2.gz WVIVKUCRHIAWKB-HXUWFJFHSA-N 0 3 403.461 3.902 20 30 HHEDHN CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1Cc1ccccc1 ZINC000551404142 1010564977 /nfs/dbraw/zinc/56/49/77/1010564977.db2.gz UWWYOGYMHHWXAI-LJQANCHMSA-N 0 3 422.598 3.686 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)N(C)C)cc1 ZINC000548822814 1010738103 /nfs/dbraw/zinc/73/81/03/1010738103.db2.gz TVDWDKUUHGSIRD-NRFANRHFSA-N 0 3 405.546 3.514 20 30 HHEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1 ZINC000521969224 1010743688 /nfs/dbraw/zinc/74/36/88/1010743688.db2.gz GZEACXGFFNFFNK-UHFFFAOYSA-N 0 3 404.470 3.851 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)N2CCCC2)cc1 ZINC000522470125 1011032103 /nfs/dbraw/zinc/03/21/03/1011032103.db2.gz GDYBLKDPPJDAKH-DEOSSOPVSA-N 0 3 417.557 3.535 20 30 HHEDHN Cn1ccnc1[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000540596795 1011253235 /nfs/dbraw/zinc/25/32/35/1011253235.db2.gz IBPIZFSFDVXETA-HSZRJFAPSA-N 0 3 403.505 3.774 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)CC1 ZINC000522975106 1011425636 /nfs/dbraw/zinc/42/56/36/1011425636.db2.gz POZSJGZZJWHVRK-QFIPXVFZSA-N 0 3 419.529 3.502 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000536314606 1011508852 /nfs/dbraw/zinc/50/88/52/1011508852.db2.gz JHTGFBKROJLLTM-UHFFFAOYSA-N 0 3 424.932 3.542 20 30 HHEDHN N#Cc1ccc(CN2CCC(Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)CC2)cc1 ZINC000540974413 1011608344 /nfs/dbraw/zinc/60/83/44/1011608344.db2.gz AWXSVJGVPOWDAT-HSZRJFAPSA-N 0 3 404.514 3.752 20 30 HHEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000536589322 1011751918 /nfs/dbraw/zinc/75/19/18/1011751918.db2.gz IDMNRMPOPOPESB-JTSKRJEESA-N 0 3 412.509 3.547 20 30 HHEDHN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000536589323 1011752390 /nfs/dbraw/zinc/75/23/90/1011752390.db2.gz IDMNRMPOPOPESB-VGOFRKELSA-N 0 3 412.509 3.547 20 30 HHEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000552145603 1012166622 /nfs/dbraw/zinc/16/66/22/1012166622.db2.gz VYXBOISMHUQQOY-OXJNMPFZSA-N 0 3 409.313 3.512 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)CC1 ZINC000536928283 1012214237 /nfs/dbraw/zinc/21/42/37/1012214237.db2.gz MIOHXNTUOWQKCX-DNVCBOLYSA-N 0 3 424.383 3.865 20 30 HHEDHN CN1CCN(CCCNc2nc(C(F)(F)F)ccc2C#N)[C@H](c2ccccc2)C1 ZINC000523755319 1012380948 /nfs/dbraw/zinc/38/09/48/1012380948.db2.gz MIHHLPUTTIXQMO-SFHVURJKSA-N 0 3 403.452 3.763 20 30 HHEDHN COC(=O)C[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCC1 ZINC000541601439 1012397906 /nfs/dbraw/zinc/39/79/06/1012397906.db2.gz CLLVLPPZPNBWFE-LJQANCHMSA-N 0 3 405.926 3.688 20 30 HHEDHN C=CCC[C@H](NCC(=O)N1CCC(C(=O)OC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000537127730 1012512542 /nfs/dbraw/zinc/51/25/42/1012512542.db2.gz CMJJSNRUZOTMEY-SFHVURJKSA-N 0 3 412.452 3.714 20 30 HHEDHN Cc1cccc([C@@H]2CCCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000537162178 1012561880 /nfs/dbraw/zinc/56/18/80/1012561880.db2.gz OEFMGNJXZMBHCS-LEWJYISDSA-N 0 3 408.571 3.603 20 30 HHEDHN COCCN(CCN(C)C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000523952661 1012692485 /nfs/dbraw/zinc/69/24/85/1012692485.db2.gz CQEYKBJRKNVYEY-UHFFFAOYSA-N 0 3 401.894 3.654 20 30 HHEDHN Cc1cccc([C@H](C)NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1C ZINC000537288029 1012744788 /nfs/dbraw/zinc/74/47/88/1012744788.db2.gz ZTTPKYNQMPOPMT-WMZHIEFXSA-N 0 3 408.521 3.502 20 30 HHEDHN C=CCC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537290777 1012749489 /nfs/dbraw/zinc/74/94/89/1012749489.db2.gz KOCRHWMWRJTUAL-SFTDATJTSA-N 0 3 408.571 3.754 20 30 HHEDHN N#Cc1ccc(CN2CCC(Nc3cccc(C(=O)N4CCSCC4)c3)CC2)cc1 ZINC000541901622 1012761435 /nfs/dbraw/zinc/76/14/35/1012761435.db2.gz YTDNBFKEBYRLQO-UHFFFAOYSA-N 0 3 420.582 3.824 20 30 HHEDHN C[C@@H](NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000537308002 1012766043 /nfs/dbraw/zinc/76/60/43/1012766043.db2.gz UKYMJOOEIDYKAZ-LJQANCHMSA-N 0 3 411.571 3.971 20 30 HHEDHN C[C@H](CN1CCCCC1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552814091 1012822079 /nfs/dbraw/zinc/82/20/79/1012822079.db2.gz CGWVILINFDXSAF-QGZVFWFLSA-N 0 3 402.970 3.809 20 30 HHEDHN C[C@H](NCc1cnc(N2CCN(C)CC2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542019530 1012910596 /nfs/dbraw/zinc/91/05/96/1012910596.db2.gz XECKSRPFWOYZSP-IBGZPJMESA-N 0 3 412.541 3.618 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000542025178 1012918373 /nfs/dbraw/zinc/91/83/73/1012918373.db2.gz ANZLNJPBTJEMJQ-LJQANCHMSA-N 0 3 411.468 3.829 20 30 HHEDHN C=CCc1cc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000729683223 1071799045 /nfs/dbraw/zinc/79/90/45/1071799045.db2.gz HIDGFTJLXXNZRF-UHFFFAOYSA-N 0 3 407.470 3.841 20 30 HHEDHN CC(C)n1ccc(=O)nc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000729821315 1072138197 /nfs/dbraw/zinc/13/81/97/1072138197.db2.gz JZOGYFQFJXNXJR-HNNXBMFYSA-N 0 3 410.524 3.916 20 30 HHEDHN CN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001127053522 1072228552 /nfs/dbraw/zinc/22/85/52/1072228552.db2.gz JZFMXUKOSJTCLO-HXUWFJFHSA-N 0 3 412.331 3.596 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)n1C[C@H]1CCCOC1 ZINC001625997215 1072532918 /nfs/dbraw/zinc/53/29/18/1072532918.db2.gz TWVOQGLIUJFGBE-HSZRJFAPSA-N 0 3 422.573 3.607 20 30 HHEDHN CCN(CCC#N)C(=O)CN[C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555130737 1073181022 /nfs/dbraw/zinc/18/10/22/1073181022.db2.gz VEDKGSQHCLFCIO-ICSRJNTNSA-N 0 3 408.949 3.745 20 30 HHEDHN CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)N(C)C)cc1 ZINC000588780338 1073206383 /nfs/dbraw/zinc/20/63/83/1073206383.db2.gz VSMSULCDKKLNMU-ZEQRLZLVSA-N 0 3 420.557 3.733 20 30 HHEDHN C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000555248707 1073278855 /nfs/dbraw/zinc/27/88/55/1073278855.db2.gz UNEBZWNNTOEOSI-FQEVSTJZSA-N 0 3 417.557 3.833 20 30 HHEDHN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000555253643 1073282916 /nfs/dbraw/zinc/28/29/16/1073282916.db2.gz NYWMGHKLIFBBGD-UHFFFAOYSA-N 0 3 404.518 3.560 20 30 HHEDHN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000588967163 1073363127 /nfs/dbraw/zinc/36/31/27/1073363127.db2.gz PYKMXAWPQADSMC-ZIAGYGMSSA-N 0 3 411.449 3.528 20 30 HHEDHN N#Cc1cc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cnc1C(F)(F)F ZINC000555618176 1073683617 /nfs/dbraw/zinc/68/36/17/1073683617.db2.gz KDSSTMNXMJKUAP-UHFFFAOYSA-N 0 3 420.460 3.816 20 30 HHEDHN CSc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)N(C)C)cc1 ZINC000590532190 1073909532 /nfs/dbraw/zinc/90/95/32/1073909532.db2.gz PVCAYBPPDCHHQJ-FCHUYYIVSA-N 0 3 408.571 3.668 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000573406105 1074398657 /nfs/dbraw/zinc/39/86/57/1074398657.db2.gz OYNDJZBGUNGVRM-UHFFFAOYSA-N 0 3 402.502 3.554 20 30 HHEDHN C=CCN1CCC(NC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)CC1 ZINC000592069250 1074687269 /nfs/dbraw/zinc/68/72/69/1074687269.db2.gz UCKJDVVROFDPHS-KRWDZBQOSA-N 0 3 413.591 3.775 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000592302014 1074719521 /nfs/dbraw/zinc/71/95/21/1074719521.db2.gz QSYZCFVNAFUUJI-BETUJISGSA-N 0 3 401.395 3.799 20 30 HHEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1-c1cccc(Br)c1 ZINC000592360865 1074722481 /nfs/dbraw/zinc/72/24/81/1074722481.db2.gz SBKNTZWKQPTCLY-INIZCTEOSA-N 0 3 410.275 3.840 20 30 HHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(OCC(F)F)n1 ZINC000760970126 1074758495 /nfs/dbraw/zinc/75/84/95/1074758495.db2.gz SPHRNBZKIVKCGC-SNVBAGLBSA-N 0 3 414.195 3.993 20 30 HHEDHN Oc1ccc(Br)cc1/C=N/C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000760977986 1074770036 /nfs/dbraw/zinc/77/00/36/1074770036.db2.gz FUDFJPSNBQWTDI-OZNZCJATSA-N 0 3 403.320 3.865 20 30 HHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625242 719066860 /nfs/dbraw/zinc/06/68/60/719066860.db2.gz NBRKZSAAPFYFMV-NVXWUHKLSA-N 0 3 417.966 3.761 20 30 HHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625242 719066864 /nfs/dbraw/zinc/06/68/64/719066864.db2.gz NBRKZSAAPFYFMV-NVXWUHKLSA-N 0 3 417.966 3.761 20 30 HHEDHN N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000301875036 971094807 /nfs/dbraw/zinc/09/48/07/971094807.db2.gz MBRIVARLUAXRNX-MSOLQXFVSA-N 0 3 424.451 3.755 20 30 HHEDHN CN(c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C1CCN(CCc2ccccn2)CC1 ZINC000302643282 971269116 /nfs/dbraw/zinc/26/91/16/971269116.db2.gz IPJRUCVGXRMIIA-UHFFFAOYSA-N 0 3 416.485 3.553 20 30 HHEDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000303253368 971582608 /nfs/dbraw/zinc/58/26/08/971582608.db2.gz BULADOLBZKOLPQ-OAQYLSRUSA-N 0 3 415.497 3.532 20 30 HHEDHN C[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000303471076 971772808 /nfs/dbraw/zinc/77/28/08/971772808.db2.gz NCROOFBPHBYDOP-SFHVURJKSA-N 0 3 403.482 3.981 20 30 HHEDHN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000303523548 971824068 /nfs/dbraw/zinc/82/40/68/971824068.db2.gz PXTGHYILRTVZIH-OAHLLOKOSA-N 0 3 403.885 3.708 20 30 HHEDHN C=CCc1cc(CN2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)cc(OC)c1O ZINC000537649845 1013210147 /nfs/dbraw/zinc/21/01/47/1013210147.db2.gz ISSCHJQIHFNWJG-QGZVFWFLSA-N 0 3 414.468 3.752 20 30 HHEDHN CN(C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[C@H]1CCN(C2CC2)C1 ZINC000553287515 1013243990 /nfs/dbraw/zinc/24/39/90/1013243990.db2.gz UHCMRXKZYLDFBU-IBGZPJMESA-N 0 3 400.954 3.513 20 30 HHEDHN COc1ccc(-c2cc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)on2)cc1 ZINC000021406654 963460904 /nfs/dbraw/zinc/46/09/04/963460904.db2.gz KHARLIIWIUVHLR-UHFFFAOYSA-N 0 3 402.498 3.930 20 30 HHEDHN Cc1ccc2c(CN3CCCN(Cc4ccc(C#N)cc4)CC3)cc(=O)oc2c1C ZINC000022819156 963723100 /nfs/dbraw/zinc/72/31/00/963723100.db2.gz AFHICOUTYWDZRQ-UHFFFAOYSA-N 0 3 401.510 3.989 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(OC2CCCCC2)c1 ZINC000537867158 1013440723 /nfs/dbraw/zinc/44/07/23/1013440723.db2.gz FUZNRTNSIVFREX-UHFFFAOYSA-N 0 3 406.530 3.869 20 30 HHEDHN C=CCc1ccc(OCC(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)c(OC)c1 ZINC000025186779 964203700 /nfs/dbraw/zinc/20/37/00/964203700.db2.gz DFVQWBRGYZUQPI-UHFFFAOYSA-N 0 3 423.557 3.892 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(-c2ccsc2)no1 ZINC000052485685 964915983 /nfs/dbraw/zinc/91/59/83/964915983.db2.gz CULTVPOWVZJXQO-UHFFFAOYSA-N 0 3 416.576 3.896 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000052485688 964916010 /nfs/dbraw/zinc/91/60/10/964916010.db2.gz MAFATDHNRVSUTP-QRVBRYPASA-N 0 3 419.639 3.668 20 30 HHEDHN N#Cc1ccccc1OCc1ccc(C(=O)NCCCN2CCc3ccccc3C2)o1 ZINC000052579748 964933693 /nfs/dbraw/zinc/93/36/93/964933693.db2.gz PQTMNBLXGHTQEV-UHFFFAOYSA-N 0 3 415.493 3.908 20 30 HHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000052825612 964994629 /nfs/dbraw/zinc/99/46/29/964994629.db2.gz UGQRHKWKPYEVTF-UHFFFAOYSA-N 0 3 411.303 3.741 20 30 HHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)Cc3ccc4c(c3)OCO4)sc2C1 ZINC000054427368 965512972 /nfs/dbraw/zinc/51/29/72/965512972.db2.gz JZBQFXMJANEICO-CQSZACIVSA-N 0 3 411.527 3.934 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000054785368 965646812 /nfs/dbraw/zinc/64/68/12/965646812.db2.gz GDIBJCVTAIXDMR-OAQYLSRUSA-N 0 3 410.493 3.684 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000058580513 965792950 /nfs/dbraw/zinc/79/29/50/965792950.db2.gz UVWUWEZEWLAYEX-QGZVFWFLSA-N 0 3 420.340 3.817 20 30 HHEDHN CC(C)Oc1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000055388373 965837646 /nfs/dbraw/zinc/83/76/46/965837646.db2.gz HDJHEXZVXGORLD-UHFFFAOYSA-N 0 3 400.910 3.598 20 30 HHEDHN C=C(C)COc1cc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1OC ZINC000060948897 966334512 /nfs/dbraw/zinc/33/45/12/966334512.db2.gz FKDHFXIRTAQJGH-KRWDZBQOSA-N 0 3 418.559 3.751 20 30 HHEDHN Cc1cc(C)n(Cc2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)n1 ZINC000061160651 966384972 /nfs/dbraw/zinc/38/49/72/966384972.db2.gz WDRDVKDMLHUJSR-UHFFFAOYSA-N 0 3 415.541 3.624 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000061227983 966402385 /nfs/dbraw/zinc/40/23/85/966402385.db2.gz ORLPVFHVPZEZAX-UHFFFAOYSA-N 0 3 422.529 3.954 20 30 HHEDHN C=CCOc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC000063561450 966890360 /nfs/dbraw/zinc/89/03/60/966890360.db2.gz XSCLMRUNYXMMLM-KDURUIRLSA-N 0 3 424.541 3.799 20 30 HHEDHN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCN2CCCCC2)c1 ZINC000063812446 966966680 /nfs/dbraw/zinc/96/66/80/966966680.db2.gz LSCOTLMFDAQCPZ-UHFFFAOYSA-N 0 3 422.554 3.505 20 30 HHEDHN C[C@H](OC[C@@H](O)CN1CCCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000046086923 967656737 /nfs/dbraw/zinc/65/67/37/967656737.db2.gz ICAWFWLOMYDHHY-AVRDEDQJSA-N 0 3 413.949 3.862 20 30 HHEDHN Cc1oc(-c2ccccc2)nc1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010269 968030158 /nfs/dbraw/zinc/03/01/58/968030158.db2.gz BNWSWLFTTSXJSY-UHFFFAOYSA-N 0 3 402.498 3.655 20 30 HHEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H](C)c2ccc(-n3ccnn3)cc2)ccc1Cl ZINC000538229978 1013779023 /nfs/dbraw/zinc/77/90/23/1013779023.db2.gz WGPXRIAZTMFRJX-QGZVFWFLSA-N 0 3 422.920 3.827 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N2CCCN(Cc3ccccc3C)CC2)cc1 ZINC000048160125 968462406 /nfs/dbraw/zinc/46/24/06/968462406.db2.gz KNISXASWAVRPOX-UHFFFAOYSA-N 0 3 406.530 3.651 20 30 HHEDHN CCN1CCN(Cc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)CC1 ZINC000048229047 968493242 /nfs/dbraw/zinc/49/32/42/968493242.db2.gz NNDQXGAXKMXXTM-UHFFFAOYSA-N 0 3 408.571 3.568 20 30 HHEDHN COc1ccc2c(c1)CCC[C@H]2CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930191 968720554 /nfs/dbraw/zinc/72/05/54/968720554.db2.gz GOXIQKBHCOJKDN-QFIPXVFZSA-N 0 3 405.542 3.967 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCc2cccnc2)c1 ZINC000065930413 968720586 /nfs/dbraw/zinc/72/05/86/968720586.db2.gz AXHAGYNFNJBARV-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN C[C@@H](Oc1ccccc1C#N)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000113145327 969825932 /nfs/dbraw/zinc/82/59/32/969825932.db2.gz UUGNTVMTFRMOJD-BXUZGUMPSA-N 0 3 402.237 3.980 20 30 HHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000195652823 969934567 /nfs/dbraw/zinc/93/45/67/969934567.db2.gz CTVTYJNKAARAJN-CMPLNLGQSA-N 0 3 422.234 3.915 20 30 HHEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000195662321 969940542 /nfs/dbraw/zinc/94/05/42/969940542.db2.gz AGHJTYYYGMBHII-WZONZLPQSA-N 0 3 415.493 3.901 20 30 HHEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000195701022 969967747 /nfs/dbraw/zinc/96/77/47/969967747.db2.gz FCEMNVDZROOBRZ-UHFFFAOYSA-N 0 3 416.529 3.957 20 30 HHEDHN C#CCN1CCC(C(=O)Nc2cc(OCC)c(OCC)cc2Br)CC1 ZINC000195717381 969977989 /nfs/dbraw/zinc/97/79/89/969977989.db2.gz GNLAJEHEXMCRRU-UHFFFAOYSA-N 0 3 409.324 3.530 20 30 HHEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)COCCc1ccccc1 ZINC000138686391 970007914 /nfs/dbraw/zinc/00/79/14/970007914.db2.gz MVWRSKOBRXHEGE-INIZCTEOSA-N 0 3 400.862 3.564 20 30 HHEDHN COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3F)c2)cc1Cl ZINC000138740586 970009342 /nfs/dbraw/zinc/00/93/42/970009342.db2.gz RATZFJRDIIIMHS-CQSZACIVSA-N 0 3 412.808 3.635 20 30 HHEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(-c3ccccc3F)c2)cc1Cl ZINC000138740586 970009351 /nfs/dbraw/zinc/00/93/51/970009351.db2.gz RATZFJRDIIIMHS-CQSZACIVSA-N 0 3 412.808 3.635 20 30 HHEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2csc(-c3ccccc3OC)n2)cc1 ZINC000138755958 970010448 /nfs/dbraw/zinc/01/04/48/970010448.db2.gz QKCDZPWWQYOPHW-MRXNPFEDSA-N 0 3 407.451 3.788 20 30 HHEDHN CN(CCC#N)c1ccc(CNCc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000237206878 970241302 /nfs/dbraw/zinc/24/13/02/970241302.db2.gz SUMOTHYCRULFFO-UHFFFAOYSA-N 0 3 402.498 3.849 20 30 HHEDHN N#CCCn1cc(CNCc2ccccc2CN2CCOCC2)c(-c2ccccc2)n1 ZINC000237831512 970376117 /nfs/dbraw/zinc/37/61/17/970376117.db2.gz YTTKOROFJJHKEH-UHFFFAOYSA-N 0 3 415.541 3.586 20 30 HHEDHN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000255308547 970583740 /nfs/dbraw/zinc/58/37/40/970583740.db2.gz BPTZKAVBRDGXTQ-QAPCUYQASA-N 0 3 422.510 3.616 20 30 HHEDHN COc1cccc([C@H]2[C@@H](Nc3ccc(C(F)(F)F)c(C#N)n3)CCN2C2CC2)c1 ZINC000409735625 973210364 /nfs/dbraw/zinc/21/03/64/973210364.db2.gz YLWHCKPXDSSGRU-PXNSSMCTSA-N 0 3 402.420 4.371 20 30 HHEDHN CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)cc1 ZINC000427480774 975140016 /nfs/dbraw/zinc/14/00/16/975140016.db2.gz QTSRDZSGGAHKQO-RUZDIDTESA-N 0 3 418.541 3.597 20 30 HHEDHN CC1CCC(N2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)CC1 ZINC000428719686 976008549 /nfs/dbraw/zinc/00/85/49/976008549.db2.gz QDGPRTLLUMZDBS-UHFFFAOYSA-N 0 3 405.546 3.800 20 30 HHEDHN CC1(C)Cc2ccc(Br)cc2[C@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000429286082 976568984 /nfs/dbraw/zinc/56/89/84/976568984.db2.gz QKZYFAAKBFSKDL-HXUWFJFHSA-N 0 3 412.331 3.850 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@H]2Cc3cccc(O)c3C2)c1C#N ZINC000429295057 976575228 /nfs/dbraw/zinc/57/52/28/976575228.db2.gz ACSGBWPSALKPHU-SFHVURJKSA-N 0 3 418.472 3.506 20 30 HHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H]2Cc3cccc(O)c3C2)c1C#N ZINC000429323484 976590359 /nfs/dbraw/zinc/59/03/59/976590359.db2.gz WTFUKZIMQNFQKT-GOSISDBHSA-N 0 3 406.530 3.883 20 30 HHEDHN COc1ccccc1-c1ncc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000430017734 977274919 /nfs/dbraw/zinc/27/49/19/977274919.db2.gz UCOYFOMKXVLMSY-UHFFFAOYSA-N 0 3 413.525 3.732 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2CCCN(Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430931381 977895727 /nfs/dbraw/zinc/89/57/27/977895727.db2.gz COCUOFFVHSFZDA-PKTZIBPZSA-N 0 3 403.526 3.713 20 30 HHEDHN C=CCN1C(=O)N([C@@H]2CCN([C@@H](C)c3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431036261 977969420 /nfs/dbraw/zinc/96/94/20/977969420.db2.gz VXBPBTGOANSWCM-WWPVKYPJSA-N 0 3 403.526 3.883 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000431760241 978491125 /nfs/dbraw/zinc/49/11/25/978491125.db2.gz RNZALDHJXMFHSJ-AWEZNQCLSA-N 0 3 403.914 3.791 20 30 HHEDHN Cc1ccc([C@@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)N2CCCC2)cc1 ZINC000432720615 978947889 /nfs/dbraw/zinc/94/78/89/978947889.db2.gz YBBUZHWYCANCTR-HSZRJFAPSA-N 0 3 418.541 3.929 20 30 HHEDHN N#CCCC[C@@H](NCC(=O)NCC1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000433010570 979040983 /nfs/dbraw/zinc/04/09/83/979040983.db2.gz CNMFZCXIGBRLTL-HSZRJFAPSA-N 0 3 405.542 3.876 20 30 HHEDHN Cc1cccc(CN2CCN(C(=O)CN[C@@H](CCCC#N)c3ccccc3)CC2)c1 ZINC000433012850 979041829 /nfs/dbraw/zinc/04/18/29/979041829.db2.gz VDYSRIBLVSZCLX-DEOSSOPVSA-N 0 3 404.558 3.664 20 30 HHEDHN CCN(C[C@H]1COc2ccccc2O1)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433021476 979044329 /nfs/dbraw/zinc/04/43/29/979044329.db2.gz XIQXNTXETSTZTI-LEWJYISDSA-N 0 3 407.514 3.700 20 30 HHEDHN CC[C@@H](NCc1cn(CCC#N)nc1-c1ccncc1)c1ccc2c(c1)OCCO2 ZINC000433308268 979227914 /nfs/dbraw/zinc/22/79/14/979227914.db2.gz YBCGAJOAVPXGGK-HXUWFJFHSA-N 0 3 403.486 3.871 20 30 HHEDHN CC[C@H](NCc1cn(CCC#N)nc1-c1ccncc1)c1ccc2c(c1)OCCO2 ZINC000433308266 979227953 /nfs/dbraw/zinc/22/79/53/979227953.db2.gz YBCGAJOAVPXGGK-FQEVSTJZSA-N 0 3 403.486 3.871 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000433652729 979454405 /nfs/dbraw/zinc/45/44/05/979454405.db2.gz ZCTGLXMSCJEGFG-IBGZPJMESA-N 0 3 422.426 3.916 20 30 HHEDHN CC(C)Oc1ccc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000435539015 980929021 /nfs/dbraw/zinc/92/90/21/980929021.db2.gz CGYRTUWTLNOBMP-HDICACEKSA-N 0 3 414.550 3.699 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000436307797 981290094 /nfs/dbraw/zinc/29/00/94/981290094.db2.gz LMPGOVJCKOBVFE-MUKKUYKPSA-N 0 3 405.340 3.970 20 30 HHEDHN CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460201898 981976433 /nfs/dbraw/zinc/97/64/33/981976433.db2.gz NNJRQSZFQQNKFH-UHFFFAOYSA-N 0 3 418.520 3.997 20 30 HHEDHN COC(=O)COc1c(C)cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1C ZINC000437361100 982009233 /nfs/dbraw/zinc/00/92/33/982009233.db2.gz ZDQUFGXHPPACMF-QGZVFWFLSA-N 0 3 421.478 3.864 20 30 HHEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)NCCCCC#N)CC1 ZINC000460262963 982039233 /nfs/dbraw/zinc/03/92/33/982039233.db2.gz UCEAIHWEZAWRHL-UHFFFAOYSA-N 0 3 407.356 3.749 20 30 HHEDHN CC(C)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460613977 982393053 /nfs/dbraw/zinc/39/30/53/982393053.db2.gz SRTITNSMLPARDT-UHFFFAOYSA-N 0 3 415.545 3.580 20 30 HHEDHN C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000460950116 982684434 /nfs/dbraw/zinc/68/44/34/982684434.db2.gz DRPVCSKNERATBN-RTWAWAEBSA-N 0 3 416.573 3.939 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000438442080 982794861 /nfs/dbraw/zinc/79/48/61/982794861.db2.gz IKZLVHRNGNBROP-MJGOQNOKSA-N 0 3 413.484 3.760 20 30 HHEDHN N#Cc1ccc([C@@H](C(N)=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC000438513049 982852756 /nfs/dbraw/zinc/85/27/56/982852756.db2.gz YTZIAKDOXQHCLE-QHCPKHFHSA-N 0 3 402.542 3.605 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C[C@H](C)O1 ZINC000440252082 983697957 /nfs/dbraw/zinc/69/79/57/983697957.db2.gz DUJKNNCGMQHENM-ZRCGQRJVSA-N 0 3 412.578 3.952 20 30 HHEDHN CN(C(=O)N[C@@H](CCC#N)c1ccccc1)C1CCN(CCc2ccccn2)CC1 ZINC000440252203 983697970 /nfs/dbraw/zinc/69/79/70/983697970.db2.gz FSXNDLAKHLUYHW-QHCPKHFHSA-N 0 3 405.546 3.775 20 30 HHEDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000462422404 985395119 /nfs/dbraw/zinc/39/51/19/985395119.db2.gz NQXBSMMZFSWVRV-OAQYLSRUSA-N 0 3 408.502 3.626 20 30 HHEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443483657 985659392 /nfs/dbraw/zinc/65/93/92/985659392.db2.gz AMNXIZWXACTREN-AOMKIAJQSA-N 0 3 402.458 3.539 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000462807414 985738648 /nfs/dbraw/zinc/73/86/48/985738648.db2.gz AYKMQOXFIHZJLH-YCRPNKLZSA-N 0 3 406.555 3.803 20 30 HHEDHN CN(C)Cc1ccc(N2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)nc1 ZINC000462815452 985743827 /nfs/dbraw/zinc/74/38/27/985743827.db2.gz DIRWSJRCLJEDJG-UHFFFAOYSA-N 0 3 424.911 3.682 20 30 HHEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000443843689 986045706 /nfs/dbraw/zinc/04/57/06/986045706.db2.gz OZLOJXLAICDILK-PGRDOPGGSA-N 0 3 409.530 3.696 20 30 HHEDHN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463207047 986179394 /nfs/dbraw/zinc/17/93/94/986179394.db2.gz YPXHPLCBMPCLTA-HBMCJLEFSA-N 0 3 422.491 3.579 20 30 HHEDHN Cc1cc(CNCc2ccc(Br)cc2N2CCOCC2)ccc1C#N ZINC000443988276 986190054 /nfs/dbraw/zinc/19/00/54/986190054.db2.gz LYPCNXVNGRWZQH-UHFFFAOYSA-N 0 3 400.320 3.756 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000463275208 986241726 /nfs/dbraw/zinc/24/17/26/986241726.db2.gz URPXEEWVFSIVIF-GCJKJVERSA-N 0 3 408.502 3.813 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463506960 986482505 /nfs/dbraw/zinc/48/25/05/986482505.db2.gz MQMWGGYBOQUMLS-ZWKOTPCHSA-N 0 3 401.432 3.669 20 30 HHEDHN N#Cc1cccc(-c2cc(C(=O)NCC3(N4CCSCC4)CCCCC3)on2)c1 ZINC000468833838 986543803 /nfs/dbraw/zinc/54/38/03/986543803.db2.gz DLQCVMPVRQJMPS-UHFFFAOYSA-N 0 3 410.543 3.695 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2c(Cl)cccc2I)CC1 ZINC000463748317 986738225 /nfs/dbraw/zinc/73/82/25/986738225.db2.gz KNMJCHZBTVUTGP-UHFFFAOYSA-N 0 3 418.706 3.715 20 30 HHEDHN COC(=O)[C@@](C)(CN[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccccc1 ZINC000469216219 986939038 /nfs/dbraw/zinc/93/90/38/986939038.db2.gz HFFVQIIXKNKUPS-CPJSRVTESA-N 0 3 421.541 3.659 20 30 HHEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000463922745 988031743 /nfs/dbraw/zinc/03/17/43/988031743.db2.gz RFPBMIRSHWZYDB-GCJKJVERSA-N 0 3 409.530 3.586 20 30 HHEDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000464970554 989271923 /nfs/dbraw/zinc/27/19/23/989271923.db2.gz GLBYBFSZPUKTAR-IBGZPJMESA-N 0 3 420.557 3.662 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000471970588 990136235 /nfs/dbraw/zinc/13/62/35/990136235.db2.gz OXHUPVDIUHSQKS-HNNXBMFYSA-N 0 3 401.486 3.585 20 30 HHEDHN N#CCCCOc1cccnc1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000466602825 991919269 /nfs/dbraw/zinc/91/92/69/991919269.db2.gz VMQWUICJMDEFOD-UHFFFAOYSA-N 0 3 421.545 3.937 20 30 HHEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000467530337 992808684 /nfs/dbraw/zinc/80/86/84/992808684.db2.gz GTALXKAVIPPMNI-UHFFFAOYSA-N 0 3 404.558 3.818 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)NC[C@H](C)N2CCCC[C@H]2C)nnc1-c1ccco1 ZINC000480787594 993655138 /nfs/dbraw/zinc/65/51/38/993655138.db2.gz DQZMLZHAWNCKJE-SJORKVTESA-N 0 3 417.579 3.585 20 30 HHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000481136101 993970509 /nfs/dbraw/zinc/97/05/09/993970509.db2.gz FZBLRVXVZYNEPC-UHFFFAOYSA-N 0 3 419.639 3.913 20 30 HHEDHN C=CCNc1ncc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)s1 ZINC000473924557 994895157 /nfs/dbraw/zinc/89/51/57/994895157.db2.gz VNTUALWEDQRQGO-UHFFFAOYSA-N 0 3 420.966 3.668 20 30 HHEDHN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CC(C)(C)O ZINC000474178320 995168551 /nfs/dbraw/zinc/16/85/51/995168551.db2.gz PCGJRJOETRPFLX-UHFFFAOYSA-N 0 3 400.498 3.526 20 30 HHEDHN COc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1OCC(=O)NC(C)C ZINC000474428117 995391350 /nfs/dbraw/zinc/39/13/50/995391350.db2.gz CQKAUBIELUZZIO-OAHLLOKOSA-N 0 3 415.515 3.669 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000482469695 995473637 /nfs/dbraw/zinc/47/36/37/995473637.db2.gz UFRFZJPWOBBKOF-CQSZACIVSA-N 0 3 412.347 3.859 20 30 HHEDHN CCN1CCN(Cc2ccc(CNC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000474906754 995792752 /nfs/dbraw/zinc/79/27/52/995792752.db2.gz QASSYCKRIDJTAY-UHFFFAOYSA-N 0 3 404.558 3.555 20 30 HHEDHN N#CC[C@H](CC(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000474955999 995824619 /nfs/dbraw/zinc/82/46/19/995824619.db2.gz RZDZBDALGSWKIN-HSZRJFAPSA-N 0 3 404.558 3.793 20 30 HHEDHN N#CC(C(=O)c1ccc(F)c(I)c1)c1cnc2ccccc2n1 ZINC000483201427 996034781 /nfs/dbraw/zinc/03/47/81/996034781.db2.gz MTLJEUHQKNJUMG-NSHDSACASA-N 0 3 417.181 3.864 20 30 HHEDHN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN(CC1CC1)C1CCC1)CCCC2 ZINC000483292731 996084193 /nfs/dbraw/zinc/08/41/93/996084193.db2.gz LHRRDGUVLQODLB-IBGZPJMESA-N 0 3 410.562 3.621 20 30 HHEDHN CNC(=O)C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000483410049 996160234 /nfs/dbraw/zinc/16/02/34/996160234.db2.gz BFRSRNCHHIWXCR-LJQANCHMSA-N 0 3 424.570 3.684 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cc(Br)ccc2Br)CC1 ZINC000476220047 996685965 /nfs/dbraw/zinc/68/59/65/996685965.db2.gz FWYGOODFKYDANP-UHFFFAOYSA-N 0 3 402.130 3.592 20 30 HHEDHN CN(C)[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)Cc1ccccc1 ZINC000476570166 997068019 /nfs/dbraw/zinc/06/80/19/997068019.db2.gz RHAYRWUMMFNCTA-OOMBGRCJSA-N 0 3 420.557 3.720 20 30 HHEDHN CCN(CC)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000476767474 997324985 /nfs/dbraw/zinc/32/49/85/997324985.db2.gz RKVOIGIYLIQPSX-QFIPXVFZSA-N 0 3 406.530 3.938 20 30 HHEDHN Cc1ccc(Br)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000477046931 997684458 /nfs/dbraw/zinc/68/44/58/997684458.db2.gz HYXNCQJIVYVGSJ-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN CCc1cccc2c(CCNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c[nH]c21 ZINC000477638974 998357234 /nfs/dbraw/zinc/35/72/34/998357234.db2.gz MOHUEJLYTQJGAY-UHFFFAOYSA-N 0 3 417.557 3.918 20 30 HHEDHN C=CCc1cc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc(OC)c1OC ZINC000477716481 998439421 /nfs/dbraw/zinc/43/94/21/998439421.db2.gz LFHIVKLKSMXYBW-UHFFFAOYSA-N 0 3 424.541 3.889 20 30 HHEDHN COc1ccc([C@@H](CN(C)C)NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000477825499 998580541 /nfs/dbraw/zinc/58/05/41/998580541.db2.gz WNQBPKKDTJWQRQ-HXUWFJFHSA-N 0 3 419.447 3.668 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCc2ccccc2NC1=O ZINC000478535096 999014198 /nfs/dbraw/zinc/01/41/98/999014198.db2.gz MOYJKVOBSSDFKI-IBGZPJMESA-N 0 3 411.575 3.538 20 30 HHEDHN CCC(CC)(CNCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(=O)OC ZINC000487736309 999271049 /nfs/dbraw/zinc/27/10/49/999271049.db2.gz CYJRMHNESCOTRO-UHFFFAOYSA-N 0 3 402.539 3.599 20 30 HHEDHN COCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H]1CCC[C@@H]1C ZINC000487991883 999339877 /nfs/dbraw/zinc/33/98/77/999339877.db2.gz UFDJJQRZGMPJQR-KKSFZXQISA-N 0 3 412.534 3.693 20 30 HHEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000488305535 999432044 /nfs/dbraw/zinc/43/20/44/999432044.db2.gz FEEKTBHFCZQTOE-IRXDYDNUSA-N 0 3 402.564 3.655 20 30 HHEDHN Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488481412 999502686 /nfs/dbraw/zinc/50/26/86/999502686.db2.gz QNNCCOLHZNRWNG-OXQOHEQNSA-N 0 3 424.932 3.628 20 30 HHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000488807498 999614519 /nfs/dbraw/zinc/61/45/19/999614519.db2.gz OZWGPIBVEDIJTK-BEFAXECRSA-N 0 3 411.468 3.827 20 30 HHEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)CC1 ZINC000488807504 999614610 /nfs/dbraw/zinc/61/46/10/999614610.db2.gz OZWGPIBVEDIJTK-KXBFYZLASA-N 0 3 411.468 3.827 20 30 HHEDHN Cc1ccc(NC(=O)C2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)nc1 ZINC000491145219 1000050033 /nfs/dbraw/zinc/05/00/33/1000050033.db2.gz MNYWFDGFSZFFTI-UHFFFAOYSA-N 0 3 414.513 3.513 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000494298230 1000419081 /nfs/dbraw/zinc/41/90/81/1000419081.db2.gz MCDXGERAOOFEII-UHFFFAOYSA-N 0 3 405.420 3.546 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000494468412 1000508206 /nfs/dbraw/zinc/50/82/06/1000508206.db2.gz BOQBGQBLYFGNOJ-PCCBWWKXSA-N 0 3 413.880 3.966 20 30 HHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@H](OCC4CC4)C3)sc2C1 ZINC000494656200 1000591323 /nfs/dbraw/zinc/59/13/23/1000591323.db2.gz UKKZGWXWRZSCLY-WBVHZDCISA-N 0 3 401.576 3.964 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1csc(Br)c1 ZINC000505218157 1000625560 /nfs/dbraw/zinc/62/55/60/1000625560.db2.gz NOWAMPIVFABYIW-UHFFFAOYSA-N 0 3 421.364 3.656 20 30 HHEDHN N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC2)c(F)c1 ZINC000505308809 1000690358 /nfs/dbraw/zinc/69/03/58/1000690358.db2.gz VBUPVMXWGMYZIF-JOCHJYFZSA-N 0 3 420.532 3.695 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000494912474 1000727031 /nfs/dbraw/zinc/72/70/31/1000727031.db2.gz WXQOYUUAZWVLDO-MRXNPFEDSA-N 0 3 410.381 3.936 20 30 HHEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000505425829 1000764266 /nfs/dbraw/zinc/76/42/66/1000764266.db2.gz DGHOGFFLMDBTLG-GOSISDBHSA-N 0 3 403.438 3.974 20 30 HHEDHN N#Cc1cccc(CNC(=O)CNC2(c3ccc(Br)cc3)CCCC2)c1 ZINC000505448974 1000780990 /nfs/dbraw/zinc/78/09/90/1000780990.db2.gz IKRGQXNZJCLTQM-UHFFFAOYSA-N 0 3 412.331 3.996 20 30 HHEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3cc(-n4cnnn4)ccc3C)n2)cc1 ZINC000505466357 1000793444 /nfs/dbraw/zinc/79/34/44/1000793444.db2.gz GGKGIPKDQCDYPD-QGZVFWFLSA-N 0 3 415.482 3.649 20 30 HHEDHN CCN(CC)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000505929072 1001108388 /nfs/dbraw/zinc/10/83/88/1001108388.db2.gz ZHGDNBFEPVRIHL-QFIPXVFZSA-N 0 3 409.505 3.937 20 30 HHEDHN COc1ccc(CN2CCC[C@H](c3nnc4ccccn43)C2)cc1OCCCC#N ZINC000506138355 1001242872 /nfs/dbraw/zinc/24/28/72/1001242872.db2.gz RLCKCPODSPZBPG-IBGZPJMESA-N 0 3 405.502 3.800 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(OC3CCCCC3)CC2)c(OC)c1 ZINC000497376632 1001320020 /nfs/dbraw/zinc/32/00/20/1001320020.db2.gz MDXRTCLWFUDXEW-HXUWFJFHSA-N 0 3 403.563 3.977 20 30 HHEDHN N#Cc1ccc(CN2CCCN(Cc3cc(O)ccc3Br)CC2)cc1 ZINC000506271706 1001320936 /nfs/dbraw/zinc/32/09/36/1001320936.db2.gz YABVQPQRMAYQGV-UHFFFAOYSA-N 0 3 400.320 3.734 20 30 HHEDHN CN1C[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000497399777 1001338085 /nfs/dbraw/zinc/33/80/85/1001338085.db2.gz PCSAJSWILZUKGT-JWQCQUIFSA-N 0 3 411.505 3.965 20 30 HHEDHN Cc1cc(C(=O)N(CCCc2ccccc2)CCN(C)C)nn1-c1cccc(C#N)c1 ZINC000506505342 1001443249 /nfs/dbraw/zinc/44/32/49/1001443249.db2.gz ZWPWBRQPFUQPCG-UHFFFAOYSA-N 0 3 415.541 3.689 20 30 HHEDHN CN(C)[C@@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)c1ccc(F)cc1 ZINC000507000586 1001757684 /nfs/dbraw/zinc/75/76/84/1001757684.db2.gz DYQRHYDHEPMJEZ-IBGZPJMESA-N 0 3 400.404 3.984 20 30 HHEDHN Cc1cccc(NC(=O)C[C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000507401737 1002050197 /nfs/dbraw/zinc/05/01/97/1002050197.db2.gz LOQDXGZJLUZAQZ-VGSWGCGISA-N 0 3 404.514 3.677 20 30 HHEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000507757884 1002328861 /nfs/dbraw/zinc/32/88/61/1002328861.db2.gz VMHRQDIXCZNVNT-UHFFFAOYSA-N 0 3 420.513 3.623 20 30 HHEDHN COc1ccc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1OCCCC#N ZINC000507996894 1002525544 /nfs/dbraw/zinc/52/55/44/1002525544.db2.gz FXGVYORYHNNLGV-UHFFFAOYSA-N 0 3 422.529 3.932 20 30 HHEDHN Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000508542800 1003018234 /nfs/dbraw/zinc/01/82/34/1003018234.db2.gz OVHFRDSKBBBKHR-UHFFFAOYSA-N 0 3 408.509 3.829 20 30 HHEDHN CCN(CC)[C@@H](CNC(=O)Cc1noc(C)c1C#N)c1ccc(C(F)(F)F)cc1 ZINC000499677885 1003032901 /nfs/dbraw/zinc/03/29/01/1003032901.db2.gz BYEOHAGEDKSFPT-SFHVURJKSA-N 0 3 408.424 3.615 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccnc1OC1CCCC1 ZINC000499763355 1003102493 /nfs/dbraw/zinc/10/24/93/1003102493.db2.gz KUJNMHGWRKNPKJ-UHFFFAOYSA-N 0 3 421.545 3.548 20 30 HHEDHN C=CCOc1c(Br)cc(CN(C)CCc2cnccn2)cc1OCC ZINC000508681306 1003119886 /nfs/dbraw/zinc/11/98/86/1003119886.db2.gz VELKMNOPMRZHMW-UHFFFAOYSA-N 0 3 406.324 3.877 20 30 HHEDHN C=CCOc1ccc(CNC(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000509352263 1003782080 /nfs/dbraw/zinc/78/20/80/1003782080.db2.gz XJYFKEDORVTLMB-WOJBJXKFSA-N 0 3 415.578 3.672 20 30 HHEDHN C[C@@H]1CCCN(C(=O)C2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)C1 ZINC000509537596 1003930956 /nfs/dbraw/zinc/93/09/56/1003930956.db2.gz CWXWPWYGMXWOTR-HXUWFJFHSA-N 0 3 419.573 3.934 20 30 HHEDHN C=CCN(CC=C)[C@H](CNCc1ncc(I)s1)C(C)C ZINC000512137798 1004050077 /nfs/dbraw/zinc/05/00/77/1004050077.db2.gz VZOHUPLIRWZGHO-CYBMUJFWSA-N 0 3 405.349 3.536 20 30 HHEDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CCN1Cc1ccccc1 ZINC000500968680 1004085389 /nfs/dbraw/zinc/08/53/89/1004085389.db2.gz SHURYJZETZOSQV-DYESRHJHSA-N 0 3 415.534 3.512 20 30 HHEDHN CCN1CCN(c2ccccc2CNc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000512387582 1004263321 /nfs/dbraw/zinc/26/33/21/1004263321.db2.gz ODHUYCABHHJPJE-UHFFFAOYSA-N 0 3 404.493 3.637 20 30 HHEDHN C=CCn1c(SC[C@@H](O)CN2CCc3ccccc3C2)nnc1-c1cccc(C)c1 ZINC000512493270 1004341580 /nfs/dbraw/zinc/34/15/80/1004341580.db2.gz GKBONIIUQCFOGV-QFIPXVFZSA-N 0 3 420.582 3.951 20 30 HHEDHN Cc1noc(C2(C)CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)n1 ZINC000510409827 1004546413 /nfs/dbraw/zinc/54/64/13/1004546413.db2.gz ZBWIOLQQEJXVEG-UHFFFAOYSA-N 0 3 413.547 3.572 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)COCc3ccccc3Cl)CC2)c(F)c1 ZINC000512811207 1004573350 /nfs/dbraw/zinc/57/33/50/1004573350.db2.gz CHYACUQCGOGIRJ-GOSISDBHSA-N 0 3 418.896 3.772 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000513214795 1004864320 /nfs/dbraw/zinc/86/43/20/1004864320.db2.gz PMAPSKNXAGKLDX-UHFFFAOYSA-N 0 3 420.557 3.757 20 30 HHEDHN N#CC(C(=O)c1ccc2c(c1)NC(=O)CO2)c1nc(-c2c(F)cccc2F)cs1 ZINC000513306700 1004904629 /nfs/dbraw/zinc/90/46/29/1004904629.db2.gz NACKOMFHDSZZOO-NSHDSACASA-N 0 3 411.389 3.909 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1)[C@@H]1CCCN(C)C1 ZINC000513466285 1004979246 /nfs/dbraw/zinc/97/92/46/1004979246.db2.gz CFYXQVBOXPGTHW-GOSISDBHSA-N 0 3 410.905 3.630 20 30 HHEDHN COc1cccc(NC(=O)COc2ccc(C(=O)C(C#N)c3nc(C)cs3)cc2)c1 ZINC000513671401 1005076521 /nfs/dbraw/zinc/07/65/21/1005076521.db2.gz IDAVXEKOGILOMR-LJQANCHMSA-N 0 3 421.478 3.968 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511240721 1005086881 /nfs/dbraw/zinc/08/68/81/1005086881.db2.gz IITKPNWNLCZUHG-KNQAVFIVSA-N 0 3 418.541 3.947 20 30 HHEDHN N#Cc1cccc(C2(NC(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)CC2)c1 ZINC000503397611 1005407891 /nfs/dbraw/zinc/40/78/91/1005407891.db2.gz UBJQEMBMROFGEN-UHFFFAOYSA-N 0 3 406.452 3.652 20 30 HHEDHN C=CCCc1ccccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000504021486 1005534377 /nfs/dbraw/zinc/53/43/77/1005534377.db2.gz MUBFFYOZFXQFNT-UHFFFAOYSA-N 0 3 415.484 3.612 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc2c(c1)OCCO2 ZINC000531170454 1006026502 /nfs/dbraw/zinc/02/65/02/1006026502.db2.gz PUUSAGBOKHQRFJ-UHFFFAOYSA-N 0 3 400.548 3.556 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000515406896 1006444736 /nfs/dbraw/zinc/44/47/36/1006444736.db2.gz QUSPNNJTKNXFRA-OAQYLSRUSA-N 0 3 407.514 3.507 20 30 HHEDHN C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc2ccccc21 ZINC000538390012 1006659559 /nfs/dbraw/zinc/65/95/59/1006659559.db2.gz MNMPYSDBDMDHHV-GCJKJVERSA-N 0 3 418.566 3.961 20 30 HHEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@]1(C)CCCc2ccccc21 ZINC000538707830 1006984372 /nfs/dbraw/zinc/98/43/72/1006984372.db2.gz DPUCKUQYLHFVOI-XMMPIXPASA-N 0 3 408.546 3.793 20 30 HHEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000516516180 1007126042 /nfs/dbraw/zinc/12/60/42/1007126042.db2.gz LQRAHTSFWUFOTM-LJQANCHMSA-N 0 3 401.432 3.900 20 30 HHEDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)sc1Br ZINC000535354841 1007411416 /nfs/dbraw/zinc/41/14/16/1007411416.db2.gz LBEJZKQQYPGVAM-UHFFFAOYSA-N 0 3 422.348 3.595 20 30 HHEDHN C/C=C/c1ccc(OC[C@@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)c(OC)c1 ZINC000517134747 1007448892 /nfs/dbraw/zinc/44/88/92/1007448892.db2.gz GYGCBKMBDBJRCW-GUWAZMKPSA-N 0 3 422.525 3.883 20 30 HHEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535465547 1007528771 /nfs/dbraw/zinc/52/87/71/1007528771.db2.gz ANYBOZFCWWDYOR-IERDGZPVSA-N 0 3 403.548 3.539 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN2CC=C(c3c[nH]c4ncccc34)CC2)c(OC)c1 ZINC000533343858 1007650638 /nfs/dbraw/zinc/65/06/38/1007650638.db2.gz VRZGXCZQZUILCF-FQEVSTJZSA-N 0 3 419.525 3.829 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN2CC=C(c3c[nH]c4ncccc34)CC2)c(OC)c1 ZINC000533343859 1007651052 /nfs/dbraw/zinc/65/10/52/1007651052.db2.gz VRZGXCZQZUILCF-HXUWFJFHSA-N 0 3 419.525 3.829 20 30 HHEDHN C=CCC[C@H](NCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000539360713 1007662414 /nfs/dbraw/zinc/66/24/14/1007662414.db2.gz PZNAKSSOFGYMFW-QHCPKHFHSA-N 0 3 411.590 3.971 20 30 HHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000539764828 1008080294 /nfs/dbraw/zinc/08/02/94/1008080294.db2.gz DGMIXUKIPPIYGQ-IBGZPJMESA-N 0 3 403.486 3.610 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1-c1ccc(F)cc1F ZINC000518288682 1008241077 /nfs/dbraw/zinc/24/10/77/1008241077.db2.gz PXZSXSAVWFOEKY-UHFFFAOYSA-N 0 3 423.467 3.535 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)CC1 ZINC000540054200 1008261189 /nfs/dbraw/zinc/26/11/89/1008261189.db2.gz NRVBHUKLJQPMLE-UHFFFAOYSA-N 0 3 407.436 3.946 20 30 HHEDHN CC(C)(C)[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000540468461 1008443451 /nfs/dbraw/zinc/44/34/51/1008443451.db2.gz PCSVFSPFEUMQBF-KNQAVFIVSA-N 0 3 410.587 3.834 20 30 HHEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000540549010 1008476845 /nfs/dbraw/zinc/47/68/45/1008476845.db2.gz ITUZFKZEAKAKQF-NZQKXSOJSA-N 0 3 410.587 3.786 20 30 HHEDHN C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC[C@H]1c1ccccc1 ZINC000540553795 1008478799 /nfs/dbraw/zinc/47/87/99/1008478799.db2.gz MEHWJGVGZDMRME-FCEUIQTBSA-N 0 3 422.598 3.583 20 30 HHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549037933 1008605568 /nfs/dbraw/zinc/60/55/68/1008605568.db2.gz XFFMTHCTVVHFFX-MFMILTCTSA-N 0 3 408.949 3.601 20 30 HHEDHN N#CCCn1cc(/C=C/c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)c2ccccc21 ZINC000545847783 1008934886 /nfs/dbraw/zinc/93/48/86/1008934886.db2.gz ILNXZLCUYDMLQJ-MMKWGKFASA-N 0 3 400.486 3.964 20 30 HHEDHN CCN(CC)[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1cccc(OC)c1 ZINC000545964827 1009022799 /nfs/dbraw/zinc/02/27/99/1009022799.db2.gz NTWVVOIESASBEE-HSZRJFAPSA-N 0 3 417.513 3.565 20 30 HHEDHN C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000520125170 1009278434 /nfs/dbraw/zinc/27/84/34/1009278434.db2.gz KMFLIENPVKZNJT-UHFFFAOYSA-N 0 3 420.601 3.764 20 30 HHEDHN CN(C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000543767946 1009339161 /nfs/dbraw/zinc/33/91/61/1009339161.db2.gz XUCDFMRHTJWNBD-SFHVURJKSA-N 0 3 418.476 3.621 20 30 HHEDHN C=C(C)Cn1c(C2CCC2)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549734738 1009357680 /nfs/dbraw/zinc/35/76/80/1009357680.db2.gz QLFCQJLJNZRZFL-OALUTQOASA-N 0 3 401.599 3.837 20 30 HHEDHN Cc1nn(-c2ccccn2)c(C)c1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000549801960 1009408339 /nfs/dbraw/zinc/40/83/39/1009408339.db2.gz OQESGDWOEGZXIG-UHFFFAOYSA-N 0 3 414.513 3.607 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)n2)c(F)c1 ZINC000543888787 1009466239 /nfs/dbraw/zinc/46/62/39/1009466239.db2.gz CNAJJCRVBVTCMV-LJQANCHMSA-N 0 3 418.476 3.669 20 30 HHEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000520355047 1009491463 /nfs/dbraw/zinc/49/14/63/1009491463.db2.gz BPNWYGQVJBUZAJ-HSZRJFAPSA-N 0 3 407.514 3.728 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000520697515 1009764436 /nfs/dbraw/zinc/76/44/36/1009764436.db2.gz JFWCTJQWZVIJLH-KDURUIRLSA-N 0 3 412.578 3.967 20 30 HHEDHN Cn1ccnc1COc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000550293925 1009839635 /nfs/dbraw/zinc/83/96/35/1009839635.db2.gz UDOJWGNJURLXKD-UHFFFAOYSA-N 0 3 401.514 3.583 20 30 HHEDHN CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546913559 1009872298 /nfs/dbraw/zinc/87/22/98/1009872298.db2.gz YSIUXSKMFKPMCO-QFIPXVFZSA-N 0 3 418.541 3.790 20 30 HHEDHN CC(C)N(C)S(=O)(=O)c1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000520961875 1010008658 /nfs/dbraw/zinc/00/86/58/1010008658.db2.gz GHBMIWTXZQILAZ-UHFFFAOYSA-N 0 3 415.559 3.688 20 30 HHEDHN C[C@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H](c1ccccc1)N(C)C ZINC000550766605 1010164578 /nfs/dbraw/zinc/16/45/78/1010164578.db2.gz WXQXEVRMOXTONP-KSSFIOAISA-N 0 3 412.559 3.663 20 30 HHEDHN CN(C(=O)c1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1)[C@@H]1CCCN(C)C1 ZINC000547962709 1010485015 /nfs/dbraw/zinc/48/50/15/1010485015.db2.gz DUBTVIBVYAPANZ-LJQANCHMSA-N 0 3 410.905 3.630 20 30 HHEDHN CCOC(=O)c1ccc(C#N)c(SC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000551413092 1010571243 /nfs/dbraw/zinc/57/12/43/1010571243.db2.gz DMTBKSRNIVZWLW-LJQANCHMSA-N 0 3 411.527 3.513 20 30 HHEDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 ZINC000551542362 1010648979 /nfs/dbraw/zinc/64/89/79/1010648979.db2.gz DYUHHIODXXPLSQ-QFIPXVFZSA-N 0 3 419.481 3.772 20 30 HHEDHN COc1cc(C#N)ccc1NC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000545295310 1010719148 /nfs/dbraw/zinc/71/91/48/1010719148.db2.gz BZHBGHZUOWAYRF-UHFFFAOYSA-N 0 3 421.545 3.599 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000536327404 1011526055 /nfs/dbraw/zinc/52/60/55/1011526055.db2.gz CWOFEVVRNMCBAO-UHFFFAOYSA-N 0 3 424.932 3.542 20 30 HHEDHN COC(=O)C1CCN(C(=O)[C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541084365 1011725204 /nfs/dbraw/zinc/72/52/04/1011725204.db2.gz GWVMQEMYYJPJLA-QZTJIDSGSA-N 0 3 419.525 3.676 20 30 HHEDHN N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)c(F)c1 ZINC000541133299 1011791805 /nfs/dbraw/zinc/79/18/05/1011791805.db2.gz YSHLQJWUUSABOR-GOSISDBHSA-N 0 3 421.451 3.873 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000536686589 1011851106 /nfs/dbraw/zinc/85/11/06/1011851106.db2.gz GLNGNWIPJGZMTB-UHFFFAOYSA-N 0 3 407.514 3.718 20 30 HHEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1c(F)cccc1C#N ZINC000552116012 1012134269 /nfs/dbraw/zinc/13/42/69/1012134269.db2.gz ZKMMRSDSQNBAKW-FQEVSTJZSA-N 0 3 417.488 3.831 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000537058870 1012392786 /nfs/dbraw/zinc/39/27/86/1012392786.db2.gz BLGVXLLHXCETCP-IBGZPJMESA-N 0 3 417.513 3.868 20 30 HHEDHN COc1ccc(CCN(CC(=O)NC2(C#N)CCCCC2)CC(C)C)cc1OC ZINC000523790961 1012446231 /nfs/dbraw/zinc/44/62/31/1012446231.db2.gz GURSCDNPCBYBDO-UHFFFAOYSA-N 0 3 401.551 3.547 20 30 HHEDHN CC(C)C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537287650 1012744394 /nfs/dbraw/zinc/74/43/94/1012744394.db2.gz GMJMHYCOEXUKPY-RTWAWAEBSA-N 0 3 410.587 3.834 20 30 HHEDHN C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H]2CCCC[C@H]21 ZINC000542053147 1012964113 /nfs/dbraw/zinc/96/41/13/1012964113.db2.gz XVCPWNGEHGRVEJ-MDPIYQRISA-N 0 3 424.589 3.867 20 30 HHEDHN CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccc(C#N)cc2F)CC1 ZINC000533309287 1071849318 /nfs/dbraw/zinc/84/93/18/1071849318.db2.gz CWWOMLCHLIVIOY-UHFFFAOYSA-N 0 3 406.427 3.758 20 30 HHEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC(C)(C)[C@H]3[C@H]3CCCO3)sc2C1 ZINC000570889475 1072402988 /nfs/dbraw/zinc/40/29/88/1072402988.db2.gz XWHBWKWKEJNRQT-WIBUTAKZSA-N 0 3 401.576 3.963 20 30 HHEDHN COc1cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000588212786 1072914188 /nfs/dbraw/zinc/91/41/88/1072914188.db2.gz HNNIDIYBJWDXLT-JOCHJYFZSA-N 0 3 419.525 3.590 20 30 HHEDHN COc1cc(CN2CC[C@H](C(=O)N3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000588212787 1072914297 /nfs/dbraw/zinc/91/42/97/1072914297.db2.gz HNNIDIYBJWDXLT-QFIPXVFZSA-N 0 3 419.525 3.590 20 30 HHEDHN Cc1oc(NC(=O)CN[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000555130596 1073181965 /nfs/dbraw/zinc/18/19/65/1073181965.db2.gz VIJYQXJCHXZQPW-CTNGQTDRSA-N 0 3 416.472 3.798 20 30 HHEDHN CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)N(C)C)cc1 ZINC000588780328 1073206234 /nfs/dbraw/zinc/20/62/34/1073206234.db2.gz VSMSULCDKKLNMU-BJKOFHAPSA-N 0 3 420.557 3.733 20 30 HHEDHN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000555244081 1073286431 /nfs/dbraw/zinc/28/64/31/1073286431.db2.gz AEDSSLTWKAFHEU-UHFFFAOYSA-N 0 3 421.545 3.816 20 30 HHEDHN CC(C)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)N1CCc2ccccc2C1 ZINC000555263914 1073296282 /nfs/dbraw/zinc/29/62/82/1073296282.db2.gz DPCRRRWSLQCNEI-LJQANCHMSA-N 0 3 416.447 3.785 20 30 HHEDHN CSc1ccc([C@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)N(C)C)cc1 ZINC000590532193 1073909483 /nfs/dbraw/zinc/90/94/83/1073909483.db2.gz PVCAYBPPDCHHQJ-YADHBBJMSA-N 0 3 408.571 3.668 20 30 HHEDHN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000591415385 1074280785 /nfs/dbraw/zinc/28/07/85/1074280785.db2.gz ZRBLEXNRNJWBCN-NRFANRHFSA-N 0 3 404.558 3.503 20 30 HHEDHN C=C(Br)CNC1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000760873239 1074495360 /nfs/dbraw/zinc/49/53/60/1074495360.db2.gz XRXMQFJPKSWKMA-UHFFFAOYSA-N 0 3 416.157 3.860 20 30 HHEDHN C=C(C)CN1CCC(Nc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1 ZINC000592108892 1074686245 /nfs/dbraw/zinc/68/62/45/1074686245.db2.gz AVYGDZDYSGICLD-UHFFFAOYSA-N 0 3 417.344 4.551 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)CC1 ZINC000592075563 1074687879 /nfs/dbraw/zinc/68/78/79/1074687879.db2.gz MPSYFLYHCBISOM-UHFFFAOYSA-N 0 3 406.452 3.970 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)CC1 ZINC000592333621 1074730510 /nfs/dbraw/zinc/73/05/10/1074730510.db2.gz GCMMGPHUVMVETP-UHFFFAOYSA-N 0 3 410.518 3.831 20 30 HHEDHN COc1ccc(CN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000573988234 1074749381 /nfs/dbraw/zinc/74/93/81/1074749381.db2.gz CFWGQXRKGXXBIA-WSCWJOSJSA-N 0 3 413.562 3.893 20 30 HHEDHN C=CCN(C(=O)c1cccc(CN2CCCC2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596103552 1075534636 /nfs/dbraw/zinc/53/46/36/1075534636.db2.gz CXAPVCIEFKDOGX-IBGZPJMESA-N 0 3 416.529 3.648 20 30 HHEDHN C=CCN(CC1CCCCC1)C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000601682017 1075642301 /nfs/dbraw/zinc/64/23/01/1075642301.db2.gz XEKGVGDYKNPQKF-UHFFFAOYSA-N 0 3 407.562 3.772 20 30 HHEDHN N#Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164880940 721178839 /nfs/dbraw/zinc/17/88/39/721178839.db2.gz XXYWYASVOJJIOJ-UXHICEINSA-N 0 3 419.916 3.635 20 30 HHEDHN N#Cc1ccc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164906216 721691515 /nfs/dbraw/zinc/69/15/15/721691515.db2.gz MLKXZYOFFDFJPK-JOCHJYFZSA-N 0 3 420.467 3.634 20 30 HHEDHN N#Cc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cc1 ZINC000301378392 970896343 /nfs/dbraw/zinc/89/63/43/970896343.db2.gz XLGFVBSLMUSQLD-UHFFFAOYSA-N 0 3 402.401 3.780 20 30 HHEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)CC1 ZINC000303085136 971495612 /nfs/dbraw/zinc/49/56/12/971495612.db2.gz XGNHDLPDUKFVSI-UHFFFAOYSA-N 0 3 405.498 3.621 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(I)cc2C)CC1 ZINC000303371614 971666114 /nfs/dbraw/zinc/66/61/14/971666114.db2.gz VMKZONJOSMSBIA-UHFFFAOYSA-N 0 3 413.303 3.762 20 30 HHEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000303470753 971772738 /nfs/dbraw/zinc/77/27/38/971772738.db2.gz HOPHRNYVXMOMRA-STZQEDGTSA-N 0 3 409.574 3.537 20 30 HHEDHN N#Cc1cccc(COc2cccc(CN3CCC(N4CCCNC4=O)CC3)c2)c1 ZINC000537632194 1013185653 /nfs/dbraw/zinc/18/56/53/1013185653.db2.gz BESOPIVLQXLISP-UHFFFAOYSA-N 0 3 404.514 3.517 20 30 HHEDHN CN(C)C(=O)C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000553253486 1013220322 /nfs/dbraw/zinc/22/03/22/1013220322.db2.gz NPUWWSQLJXQQEM-LJQANCHMSA-N 0 3 424.570 3.636 20 30 HHEDHN Cc1cccc(N2CCN(CCC(=O)N(Cc3ccc(C#N)cc3)C3CC3)CC2)c1 ZINC000542416956 1013369256 /nfs/dbraw/zinc/36/92/56/1013369256.db2.gz WTDMETLGHDBECJ-UHFFFAOYSA-N 0 3 402.542 3.570 20 30 HHEDHN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000542508704 1013453411 /nfs/dbraw/zinc/45/34/11/1013453411.db2.gz NADBBWLTVHJHDP-SFHVURJKSA-N 0 3 400.906 3.803 20 30 HHEDHN Cc1ccsc1[C@@H](Cc1ccccc1)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000542523959 1013466389 /nfs/dbraw/zinc/46/63/89/1013466389.db2.gz DDPSSLDMKJECEH-FGZHOGPDSA-N 0 3 424.614 3.622 20 30 HHEDHN Cc1ccsc1[C@H](Cc1ccccc1)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000542523960 1013466605 /nfs/dbraw/zinc/46/66/05/1013466605.db2.gz DDPSSLDMKJECEH-VXKWHMMOSA-N 0 3 424.614 3.622 20 30 HHEDHN COC(=O)C[C@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000542532479 1013475928 /nfs/dbraw/zinc/47/59/28/1013475928.db2.gz QXCKEBNIYYYSPA-GUYCJALGSA-N 0 3 403.548 3.537 20 30 HHEDHN N#Cc1ccc(OC[C@@H](O)CN(Cc2cccc(Br)c2)C2CC2)cc1 ZINC000026446781 964565384 /nfs/dbraw/zinc/56/53/84/964565384.db2.gz NDEQKEVDBIDEHW-IBGZPJMESA-N 0 3 401.304 3.725 20 30 HHEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2cccc(Br)c2)C2CC2)cc1 ZINC000051423812 964568017 /nfs/dbraw/zinc/56/80/17/964568017.db2.gz ZSPMSRAIVGKWSM-FQEVSTJZSA-N 0 3 415.331 3.919 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCN(C3CCCC3)CC2)c1C#N ZINC000027119824 964790295 /nfs/dbraw/zinc/79/02/95/964790295.db2.gz HRFMHPXHPFFEKL-UHFFFAOYSA-N 0 3 419.573 3.524 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N(CC)C1CCCCC1 ZINC000052485633 964916125 /nfs/dbraw/zinc/91/61/25/964916125.db2.gz FBCXQXWXVLIJPN-UHFFFAOYSA-N 0 3 419.639 3.766 20 30 HHEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000059747202 966029299 /nfs/dbraw/zinc/02/92/99/966029299.db2.gz FOGFKYXAVPPLPN-UHFFFAOYSA-N 0 3 411.980 3.806 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(Br)c1 ZINC000060564883 966207767 /nfs/dbraw/zinc/20/77/67/966207767.db2.gz DLHHJFSTSBLUEN-UHFFFAOYSA-N 0 3 415.335 3.594 20 30 HHEDHN N#CC(C(=O)c1ccc(OCC(N)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514639 966583477 /nfs/dbraw/zinc/58/34/77/966583477.db2.gz ZUVCTWUBRJLHLX-INIZCTEOSA-N 0 3 411.870 3.818 20 30 HHEDHN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041556356 966593953 /nfs/dbraw/zinc/59/39/53/966593953.db2.gz MIBGNPNLKQOTKO-INIZCTEOSA-N 0 3 404.348 3.507 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000043295465 966947364 /nfs/dbraw/zinc/94/73/64/966947364.db2.gz USWIXVXDURYQSK-XMMPIXPASA-N 0 3 413.525 3.816 20 30 HHEDHN CC[C@@H](CNC(=O)N(CCOC)Cc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000063787265 966956709 /nfs/dbraw/zinc/95/67/09/966956709.db2.gz BNAVUEWVXWCZLC-DEOSSOPVSA-N 0 3 420.557 3.553 20 30 HHEDHN C=CCn1c(SC[C@@H](O)CN2CCc3ccccc3C2)nnc1-c1ccccc1 ZINC000065168237 967398046 /nfs/dbraw/zinc/39/80/46/967398046.db2.gz ATYDYJDVWFZRQN-NRFANRHFSA-N 0 3 406.555 3.642 20 30 HHEDHN C=CCc1cc(CNC(=O)N2CCN(CCC(C)(C)C)CC2)cc(OC)c1OC ZINC000065389263 967450461 /nfs/dbraw/zinc/45/04/61/967450461.db2.gz LTCITPLCXMCTAG-UHFFFAOYSA-N 0 3 403.567 3.696 20 30 HHEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N1CCC(C)CC1 ZINC000065601437 967540938 /nfs/dbraw/zinc/54/09/38/967540938.db2.gz JSJGFUGPLXNBAH-SFHVURJKSA-N 0 3 420.513 3.526 20 30 HHEDHN C[C@@H](OC[C@H](O)CN1CCCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000046086921 967657025 /nfs/dbraw/zinc/65/70/25/967657025.db2.gz ICAWFWLOMYDHHY-XMSQKQJNSA-N 0 3 413.949 3.862 20 30 HHEDHN C=CCN(Cc1cccs1)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000046121292 967667747 /nfs/dbraw/zinc/66/77/47/967667747.db2.gz BMEAJHOZKZFGSX-UHFFFAOYSA-N 0 3 412.603 3.783 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)N(C)Cc3cccc(C#N)c3)CC2)c1 ZINC000046867926 967996772 /nfs/dbraw/zinc/99/67/72/967996772.db2.gz QSZYBJXYQCSORT-UHFFFAOYSA-N 0 3 419.573 3.611 20 30 HHEDHN Cc1nn(CC(C)C)c(C)c1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047011216 968031521 /nfs/dbraw/zinc/03/15/21/968031521.db2.gz YKWTUNOHEJIOPY-UHFFFAOYSA-N 0 3 409.578 3.551 20 30 HHEDHN COc1ccc(CN2CC[C@H](N[C@H]3CCCCc4cc(C#N)ccc43)C2=O)c(OC)c1 ZINC000554078844 1013788994 /nfs/dbraw/zinc/78/89/94/1013788994.db2.gz NNEITEHVXHMHQX-GOTSBHOMSA-N 0 3 419.525 3.734 20 30 HHEDHN Cc1cc(Br)ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930362 968720576 /nfs/dbraw/zinc/72/05/76/968720576.db2.gz BFCKELNQZFVTOW-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000097261614 969111760 /nfs/dbraw/zinc/11/17/60/969111760.db2.gz BPTZKAVBRDGXTQ-MAUKXSAKSA-N 0 3 422.510 3.616 20 30 HHEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000109357791 969505261 /nfs/dbraw/zinc/50/52/61/969505261.db2.gz SMYLBRXIILEOEV-INIZCTEOSA-N 0 3 419.447 3.935 20 30 HHEDHN C[C@@H]1CN(CC2CCN(CC(=O)c3cn(CCC#N)c4ccccc34)CC2)C[C@H](C)O1 ZINC000110991025 969755376 /nfs/dbraw/zinc/75/53/76/969755376.db2.gz GPSAYGSZSYHBHO-BGYRXZFFSA-N 0 3 422.573 3.559 20 30 HHEDHN CCCOc1c(Cl)cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc1OCC ZINC000138964978 970017006 /nfs/dbraw/zinc/01/70/06/970017006.db2.gz XVJCWVVTUURYKJ-CQSZACIVSA-N 0 3 401.850 3.884 20 30 HHEDHN C#CCCOc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237547865 970311374 /nfs/dbraw/zinc/31/13/74/970311374.db2.gz ASZCEKLNUJBKPF-BGYRXZFFSA-N 0 3 406.526 3.628 20 30 HHEDHN C=CCC[C@@H](NC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000554628878 1013993376 /nfs/dbraw/zinc/99/33/76/1013993376.db2.gz HLORAHDNXJQGIV-AUSIDOKSSA-N 0 3 420.557 3.547 20 30 HHEDHN C=CCC[C@@H](NC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000554628880 1013993412 /nfs/dbraw/zinc/99/34/12/1013993412.db2.gz HLORAHDNXJQGIV-WMZHIEFXSA-N 0 3 420.557 3.547 20 30 HHEDHN C[C@@H](NCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(C#N)cc1 ZINC000554844302 1014072040 /nfs/dbraw/zinc/07/20/40/1014072040.db2.gz SWASYBWJBYBWTG-VGOFRKELSA-N 0 3 410.949 3.816 20 30 HHEDHN COc1cccc([C@@H]2[C@@H](Nc3ccc(C(F)(F)F)c(C#N)n3)CCN2C2CC2)c1 ZINC000409735624 973210776 /nfs/dbraw/zinc/21/07/76/973210776.db2.gz YLWHCKPXDSSGRU-FXAWDEMLSA-N 0 3 402.420 4.371 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000427310040 975043060 /nfs/dbraw/zinc/04/30/60/975043060.db2.gz XFGZCLBPNHXOFA-KDURUIRLSA-N 0 3 415.603 3.529 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2I)CC1 ZINC000428788586 976063591 /nfs/dbraw/zinc/06/35/91/976063591.db2.gz PGOWIHVVOMZEPP-UHFFFAOYSA-N 0 3 417.266 3.592 20 30 HHEDHN CCC1(CC)[C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@@H]1OC ZINC000429314937 976584576 /nfs/dbraw/zinc/58/45/76/976584576.db2.gz ZDQXLDJNWWRCCE-PMACEKPBSA-N 0 3 412.534 3.740 20 30 HHEDHN CC(C)N1CC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429771688 977058330 /nfs/dbraw/zinc/05/83/30/977058330.db2.gz NDFUOSYWKBILNC-SESVDKBCSA-N 0 3 408.949 3.647 20 30 HHEDHN C[C@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000432192556 978707936 /nfs/dbraw/zinc/70/79/36/978707936.db2.gz NPYLRUHGXVUBFI-FQEVSTJZSA-N 0 3 418.541 3.790 20 30 HHEDHN C[C@@H](c1ccccc1)N1CCN(C(=O)CN[C@H](CCCC#N)c2ccccc2)CC1 ZINC000433012487 979041564 /nfs/dbraw/zinc/04/15/64/979041564.db2.gz TWPMRMURKGILQE-XUZZJYLKSA-N 0 3 404.558 3.917 20 30 HHEDHN COc1ccccc1-c1noc(C2CCN(CCOc3ccc(C#N)cc3)CC2)n1 ZINC000433138344 979093473 /nfs/dbraw/zinc/09/34/73/979093473.db2.gz RSIURHSDPJXSNA-UHFFFAOYSA-N 0 3 404.470 3.875 20 30 HHEDHN CC[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)CCN1Cc1ccccc1 ZINC000434985525 980550269 /nfs/dbraw/zinc/55/02/69/980550269.db2.gz BDLFIZGWVAGZDH-XMMPIXPASA-N 0 3 414.557 3.955 20 30 HHEDHN CC(C)Oc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1C#N ZINC000435546909 980934370 /nfs/dbraw/zinc/93/43/70/980934370.db2.gz YROVRZPTKLZJJN-UHFFFAOYSA-N 0 3 422.529 3.624 20 30 HHEDHN Cc1c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1F ZINC000435550439 980936396 /nfs/dbraw/zinc/93/63/96/980936396.db2.gz OQODADWBXIXECC-UHFFFAOYSA-N 0 3 420.492 3.787 20 30 HHEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000436373683 981334113 /nfs/dbraw/zinc/33/41/13/981334113.db2.gz TUEGEKISMLJSDT-XJUOHMSHSA-N 0 3 423.561 3.741 20 30 HHEDHN N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)c(C(F)(F)F)c1 ZINC000436920523 981624264 /nfs/dbraw/zinc/62/42/64/981624264.db2.gz PSPJRVXSXSCPBI-UHFFFAOYSA-N 0 3 403.404 3.677 20 30 HHEDHN CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000460211567 981986801 /nfs/dbraw/zinc/98/68/01/981986801.db2.gz NKULBVDTHCYPSH-RBUKOAKNSA-N 0 3 400.530 3.936 20 30 HHEDHN CN1CCC(Oc2ccc(NCc3cccn3Cc3ccccc3C#N)cn2)CC1 ZINC000437761604 982341211 /nfs/dbraw/zinc/34/12/11/982341211.db2.gz HPKAEHQULYLCHI-UHFFFAOYSA-N 0 3 401.514 3.888 20 30 HHEDHN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000460562800 982348294 /nfs/dbraw/zinc/34/82/94/982348294.db2.gz IGOFFYGDOCJNDM-PKTZIBPZSA-N 0 3 422.621 3.612 20 30 HHEDHN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460566440 982351260 /nfs/dbraw/zinc/35/12/60/982351260.db2.gz RXUWSBKXSYAYDG-ZIAGYGMSSA-N 0 3 407.360 3.531 20 30 HHEDHN C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460952003 982685634 /nfs/dbraw/zinc/68/56/34/982685634.db2.gz NLVNOUHWPDNPPH-RTBURBONSA-N 0 3 413.566 3.751 20 30 HHEDHN CN1CCN(CCCNC(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000438836023 983105054 /nfs/dbraw/zinc/10/50/54/983105054.db2.gz DRHUHHSERAPGBY-BJKOFHAPSA-N 0 3 419.573 3.709 20 30 HHEDHN Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000439128760 983264222 /nfs/dbraw/zinc/26/42/22/983264222.db2.gz PANMCPJQBMQRND-UHFFFAOYSA-N 0 3 400.320 3.833 20 30 HHEDHN CN(C)CCN(Cc1cccs1)C(=O)NCCSCc1ccccc1C#N ZINC000439252736 983333078 /nfs/dbraw/zinc/33/30/78/983333078.db2.gz APCASSGRRPFNNV-UHFFFAOYSA-N 0 3 402.589 3.626 20 30 HHEDHN C[C@@H](NCc1ccccc1CN(C)Cc1ccco1)C(=O)NC1(C#N)CCCCC1 ZINC000439598796 983465925 /nfs/dbraw/zinc/46/59/25/983465925.db2.gz SXXLGHHVNHRXAG-LJQANCHMSA-N 0 3 408.546 3.732 20 30 HHEDHN C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000440252079 983698022 /nfs/dbraw/zinc/69/80/22/983698022.db2.gz DUJKNNCGMQHENM-VIZSFHNOSA-N 0 3 412.578 3.952 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000441686192 984395116 /nfs/dbraw/zinc/39/51/16/984395116.db2.gz IYGKZEXMTCEDOY-LLGFUMIMSA-N 0 3 424.570 3.827 20 30 HHEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C)c(C)c2ncccc12)C(C)C ZINC000441760477 984435536 /nfs/dbraw/zinc/43/55/36/984435536.db2.gz LMDKHWWYXQNNCH-NRFANRHFSA-N 0 3 408.546 3.605 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ccccc2Cl)CC1 ZINC000442300159 984798637 /nfs/dbraw/zinc/79/86/37/984798637.db2.gz SFIHZOOMSQTDEG-UHFFFAOYSA-N 0 3 413.905 3.837 20 30 HHEDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000462422403 985395047 /nfs/dbraw/zinc/39/50/47/985395047.db2.gz NQXBSMMZFSWVRV-NRFANRHFSA-N 0 3 408.502 3.626 20 30 HHEDHN C[C@H]1CN(CCCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000443675356 985883544 /nfs/dbraw/zinc/88/35/44/985883544.db2.gz QXRKDYWVSYFODA-OALUTQOASA-N 0 3 406.530 3.921 20 30 HHEDHN C[C@H]1CN(CCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000443681272 985893053 /nfs/dbraw/zinc/89/30/53/985893053.db2.gz LYDMMNWDVYRRQC-PMACEKPBSA-N 0 3 421.541 3.756 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000463024038 985983190 /nfs/dbraw/zinc/98/31/90/985983190.db2.gz WCEQNFLFEWNABY-CYFREDJKSA-N 0 3 418.541 3.632 20 30 HHEDHN Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)ccc1C#N ZINC000443910227 986109387 /nfs/dbraw/zinc/10/93/87/986109387.db2.gz URAXZGFBDZICGE-HSZRJFAPSA-N 0 3 409.555 3.544 20 30 HHEDHN N#CCCN(C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)c1cccc(Cl)c1 ZINC000463214344 986186170 /nfs/dbraw/zinc/18/61/70/986186170.db2.gz PKUFGKRJOVQGSO-NJYVYQBISA-N 0 3 403.954 3.992 20 30 HHEDHN Cc1cc(CNCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)ccc1C#N ZINC000443990108 986191560 /nfs/dbraw/zinc/19/15/60/986191560.db2.gz QHOKAEXSFUFODP-UHFFFAOYSA-N 0 3 411.571 3.718 20 30 HHEDHN CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000468791024 986501879 /nfs/dbraw/zinc/50/18/79/986501879.db2.gz BYAJXXUOQIEBEG-KRWDZBQOSA-N 0 3 420.488 3.904 20 30 HHEDHN CCOC(=O)[C@](C)(CN[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000468923669 986629682 /nfs/dbraw/zinc/62/96/82/986629682.db2.gz JHSCAIVTYDRAIB-OYHNWAKOSA-N 0 3 413.905 3.649 20 30 HHEDHN C=CCc1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc(OC)c1OC ZINC000444460624 986643000 /nfs/dbraw/zinc/64/30/00/986643000.db2.gz LAOJKSUNJXSHHT-UHFFFAOYSA-N 0 3 410.514 3.641 20 30 HHEDHN CCc1nc2ccc(Cl)cn2c1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000463815053 986807344 /nfs/dbraw/zinc/80/73/44/986807344.db2.gz PLGQWDTZNJOQOL-UHFFFAOYSA-N 0 3 409.921 3.626 20 30 HHEDHN C[C@@H](NCc1ccccc1-c1ccc(Cn2cccn2)cc1)C(=O)NC1(C#N)CCC1 ZINC000469105139 986822115 /nfs/dbraw/zinc/82/21/15/986822115.db2.gz UQHFJKJVMKIZBK-LJQANCHMSA-N 0 3 413.525 3.639 20 30 HHEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000463922747 988031882 /nfs/dbraw/zinc/03/18/82/988031882.db2.gz RFPBMIRSHWZYDB-XMSQKQJNSA-N 0 3 409.530 3.586 20 30 HHEDHN Cc1ccc([C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)c(C)c1 ZINC000471012620 989081434 /nfs/dbraw/zinc/08/14/34/989081434.db2.gz RJEISHRDROYLMO-IRLDBZIGSA-N 0 3 422.598 3.563 20 30 HHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464837781 989081716 /nfs/dbraw/zinc/08/17/16/989081716.db2.gz ULGPDDCSYSGELX-FGZHOGPDSA-N 0 3 404.558 3.918 20 30 HHEDHN COc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1O ZINC000471168723 989294209 /nfs/dbraw/zinc/29/42/09/989294209.db2.gz KQAQMIAHAPIJMW-AWEZNQCLSA-N 0 3 413.543 3.919 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000465201014 989545811 /nfs/dbraw/zinc/54/58/11/989545811.db2.gz SGNSYLWVFCBXIF-MRXNPFEDSA-N 0 3 422.529 3.568 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465201014 989545818 /nfs/dbraw/zinc/54/58/18/989545818.db2.gz SGNSYLWVFCBXIF-MRXNPFEDSA-N 0 3 422.529 3.568 20 30 HHEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000471489276 989685780 /nfs/dbraw/zinc/68/57/80/989685780.db2.gz SHPGCVVFXNUBFN-LJQANCHMSA-N 0 3 416.529 3.578 20 30 HHEDHN Cn1cc(C#N)cc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000471591429 989794886 /nfs/dbraw/zinc/79/48/86/989794886.db2.gz VNDYKAXQVHHMGE-UHFFFAOYSA-N 0 3 405.329 3.942 20 30 HHEDHN CCN1CCN(c2cccc(NC(=O)CCCCOc3cccc(C#N)c3)c2)CC1 ZINC000471660896 989863924 /nfs/dbraw/zinc/86/39/24/989863924.db2.gz YAXUVKYXHKLJIX-UHFFFAOYSA-N 0 3 406.530 3.888 20 30 HHEDHN C=CCOc1ccccc1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471851793 990025494 /nfs/dbraw/zinc/02/54/94/990025494.db2.gz RVTPPJYQPVDNBX-UHFFFAOYSA-N 0 3 411.468 3.856 20 30 HHEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ncccc1OCCCC#N ZINC000466594326 991910935 /nfs/dbraw/zinc/91/09/35/991910935.db2.gz ZRMPZDINAUQBQS-UHFFFAOYSA-N 0 3 417.460 3.638 20 30 HHEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ncccc1OCCCC#N ZINC000466596656 991912619 /nfs/dbraw/zinc/91/26/19/991912619.db2.gz DXBMUSRDZZTEPX-UHFFFAOYSA-N 0 3 417.460 3.638 20 30 HHEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000466694767 992008725 /nfs/dbraw/zinc/00/87/25/992008725.db2.gz LPSBGPPTHSQCMG-IBGZPJMESA-N 0 3 416.529 3.578 20 30 HHEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCc1cccc(C#N)c1 ZINC000466810078 992118563 /nfs/dbraw/zinc/11/85/63/992118563.db2.gz VNPWQHWFUKGYME-UHFFFAOYSA-N 0 3 418.463 3.893 20 30 HHEDHN C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000472893686 993820116 /nfs/dbraw/zinc/82/01/16/993820116.db2.gz CHFFBRKUNMDNTK-VQTJNVASSA-N 0 3 419.573 3.611 20 30 HHEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000481286386 994102250 /nfs/dbraw/zinc/10/22/50/994102250.db2.gz MTFNYDFFPXOWMB-UHFFFAOYSA-N 0 3 405.542 3.883 20 30 HHEDHN CCOC(=O)C[C@@](C)(NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000481681527 994542318 /nfs/dbraw/zinc/54/23/18/994542318.db2.gz DWCSXIUUIMMIAD-OAQYLSRUSA-N 0 3 405.564 3.785 20 30 HHEDHN COc1c(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)oc2ccccc21 ZINC000473722182 994616223 /nfs/dbraw/zinc/61/62/23/994616223.db2.gz DRLIIIYYNVQAIR-UHFFFAOYSA-N 0 3 406.486 3.586 20 30 HHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccccc1OCCN1CCOCC1 ZINC000481926246 994799204 /nfs/dbraw/zinc/79/92/04/994799204.db2.gz XDBBYSHVNVHTIX-XMMPIXPASA-N 0 3 405.542 3.827 20 30 HHEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(Cl)cc3-n3cncn3)CC2)cc1 ZINC000474109967 995087184 /nfs/dbraw/zinc/08/71/84/995087184.db2.gz KIHDXSUYIYXVNU-UHFFFAOYSA-N 0 3 406.921 3.500 20 30 HHEDHN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)CC(C)(C)O ZINC000474172340 995160256 /nfs/dbraw/zinc/16/02/56/995160256.db2.gz GCRFEGVFEVMMJX-UHFFFAOYSA-N 0 3 400.498 3.526 20 30 HHEDHN CCOc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1OCC(=O)OC ZINC000474440802 995402363 /nfs/dbraw/zinc/40/23/63/995402363.db2.gz VEZOUJMBDDVIEX-CQSZACIVSA-N 0 3 402.472 3.707 20 30 HHEDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482495151 995506037 /nfs/dbraw/zinc/50/60/37/995506037.db2.gz MTBYOFSOTIBMTK-GMAHTHKFSA-N 0 3 408.498 3.680 20 30 HHEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000482695623 995686851 /nfs/dbraw/zinc/68/68/51/995686851.db2.gz SZPVUXVUMBGGBA-XMSQKQJNSA-N 0 3 402.441 3.600 20 30 HHEDHN CC(C)OCCN1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000474877387 995772171 /nfs/dbraw/zinc/77/21/71/995772171.db2.gz HOCASIZBWULECA-UHFFFAOYSA-N 0 3 421.541 3.756 20 30 HHEDHN CCN(C(=O)Nc1cc(C#N)ccc1OCCOC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475102511 995923437 /nfs/dbraw/zinc/92/34/37/995923437.db2.gz UEQICOVONJLARS-OAQYLSRUSA-N 0 3 422.529 3.712 20 30 HHEDHN COc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)cc(OC)c1Br ZINC000483192778 996029478 /nfs/dbraw/zinc/02/94/78/996029478.db2.gz GKTKLNWHAIKYNJ-LBPRGKRZSA-N 0 3 412.243 3.900 20 30 HHEDHN N#Cc1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)ccn1 ZINC000475317344 996066349 /nfs/dbraw/zinc/06/63/49/996066349.db2.gz ZRAQDOBBIAYENC-UHFFFAOYSA-N 0 3 403.313 3.998 20 30 HHEDHN CC1CCN(Cc2ccccc2CNS(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000475542073 996210669 /nfs/dbraw/zinc/21/06/69/996210669.db2.gz JDSCKOUCJOYOQQ-UHFFFAOYSA-N 0 3 403.592 3.812 20 30 HHEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC000483835660 996417686 /nfs/dbraw/zinc/41/76/86/996417686.db2.gz CPYFAGPJMCNSOB-UHFFFAOYSA-N 0 3 410.518 3.950 20 30 HHEDHN CCCSc1nsc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000476491046 996975324 /nfs/dbraw/zinc/97/53/24/996975324.db2.gz OYGDDPGJJBHIBR-UHFFFAOYSA-N 0 3 404.565 3.508 20 30 HHEDHN CCN1CCN(c2ccc(N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c(C)c2)CC1 ZINC000484986157 997348606 /nfs/dbraw/zinc/34/86/06/997348606.db2.gz HGDMOQINJZRGJT-XMMPIXPASA-N 0 3 417.557 3.616 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(F)cc1Br ZINC000485470236 997917381 /nfs/dbraw/zinc/91/73/81/997917381.db2.gz WVLPIZNROKVFEW-UHFFFAOYSA-N 0 3 418.310 3.593 20 30 HHEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000486241880 998670753 /nfs/dbraw/zinc/67/07/53/998670753.db2.gz MTOPVLSQYUGXFC-SFHVURJKSA-N 0 3 400.592 3.827 20 30 HHEDHN COCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CCC[C@H]1C ZINC000487991882 999339748 /nfs/dbraw/zinc/33/97/48/999339748.db2.gz UFDJJQRZGMPJQR-IIBYNOLFSA-N 0 3 412.534 3.693 20 30 HHEDHN CC(C)c1ccc(NC(=O)C[C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488503735 999510067 /nfs/dbraw/zinc/51/00/67/999510067.db2.gz VCOJFBOHFTUNQI-FDDCHVKYSA-N 0 3 418.541 3.789 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000488888852 999637621 /nfs/dbraw/zinc/63/76/21/999637621.db2.gz ICLAGAMWOYNBCK-UHFFFAOYSA-N 0 3 408.502 3.977 20 30 HHEDHN Cc1c(Br)cccc1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000479916276 999648136 /nfs/dbraw/zinc/64/81/36/999648136.db2.gz SHCOUJNPOHUCQI-UHFFFAOYSA-N 0 3 414.347 3.762 20 30 HHEDHN CCN(CC)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000480455539 999802980 /nfs/dbraw/zinc/80/29/80/999802980.db2.gz MBPBMALYBKUSPS-JOCHJYFZSA-N 0 3 409.530 3.924 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000489948124 999868017 /nfs/dbraw/zinc/86/80/17/999868017.db2.gz ASNJYJFEBJWXDU-QFIPXVFZSA-N 0 3 408.571 3.662 20 30 HHEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[C@H]2C1 ZINC000490396556 999950766 /nfs/dbraw/zinc/95/07/66/999950766.db2.gz DLOJWGQRNRHEBJ-OFNKIYASSA-N 0 3 404.514 3.890 20 30 HHEDHN Cc1ccccc1C(=O)NC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000491135941 1000048878 /nfs/dbraw/zinc/04/88/78/1000048878.db2.gz LSCYVKUSPSAJOM-UHFFFAOYSA-N 0 3 413.525 3.662 20 30 HHEDHN C=CCn1c(SCCN2CCC(C)CC2)nnc1[C@H]1COc2ccccc2O1 ZINC000492555608 1000132165 /nfs/dbraw/zinc/13/21/65/1000132165.db2.gz DKTJBMGDVRJOMW-LJQANCHMSA-N 0 3 400.548 3.801 20 30 HHEDHN N#Cc1ccc(N2CCC[C@@H](N[C@H](c3ccc4c(c3)OCCO4)C3CC3)C2=O)cc1 ZINC000492971410 1000151670 /nfs/dbraw/zinc/15/16/70/1000151670.db2.gz FTHDFKYFINPCNC-OFNKIYASSA-N 0 3 403.482 3.566 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CC1 ZINC000493836209 1000196664 /nfs/dbraw/zinc/19/66/64/1000196664.db2.gz OZCSBJCMAZUMBW-RBUKOAKNSA-N 0 3 412.361 3.633 20 30 HHEDHN N#Cc1cccc(OCCN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000493874755 1000199844 /nfs/dbraw/zinc/19/98/44/1000199844.db2.gz PAICAHYZAMAPKZ-INIZCTEOSA-N 0 3 415.419 3.878 20 30 HHEDHN C[C@@H]1[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CCN1Cc1ccccc1 ZINC000494019533 1000271212 /nfs/dbraw/zinc/27/12/12/1000271212.db2.gz USNXDYYTSRKLLY-XXBNENTESA-N 0 3 413.525 3.857 20 30 HHEDHN C[C@@H]1CN(c2ccc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)cn2)C[C@H](C)O1 ZINC000505328866 1000705186 /nfs/dbraw/zinc/70/51/86/1000705186.db2.gz KGIMVQAOBVSGOH-ZENOOKHLSA-N 0 3 404.392 3.599 20 30 HHEDHN CCc1c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1CCC(C)C ZINC000494900300 1000720377 /nfs/dbraw/zinc/72/03/77/1000720377.db2.gz IVPDJOCUKBAXBR-UHFFFAOYSA-N 0 3 410.566 3.959 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000505391595 1000744101 /nfs/dbraw/zinc/74/41/01/1000744101.db2.gz IAUHFVOERNMDBP-UHFFFAOYSA-N 0 3 421.545 3.682 20 30 HHEDHN C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000505634011 1000945832 /nfs/dbraw/zinc/94/58/32/1000945832.db2.gz QHNBXCKLDYRTRQ-DVECYGJZSA-N 0 3 406.530 3.521 20 30 HHEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000496273636 1001151646 /nfs/dbraw/zinc/15/16/46/1001151646.db2.gz UEVZMFARPDMMPO-JOCHJYFZSA-N 0 3 408.571 3.700 20 30 HHEDHN C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H](c1ccccc1)N(C)C ZINC000496628886 1001206378 /nfs/dbraw/zinc/20/63/78/1001206378.db2.gz GAQCTVZKPUQGBI-NYDSKATKSA-N 0 3 423.536 3.657 20 30 HHEDHN C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H](c1ccccc1)N(C)C ZINC000496628889 1001207062 /nfs/dbraw/zinc/20/70/62/1001207062.db2.gz GAQCTVZKPUQGBI-WGGBDISSSA-N 0 3 423.536 3.657 20 30 HHEDHN CCN(CC)C(=O)CN1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000506160443 1001255356 /nfs/dbraw/zinc/25/53/56/1001255356.db2.gz PAIAEDCSUVVJOT-UHFFFAOYSA-N 0 3 404.558 3.601 20 30 HHEDHN Cc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)nn1-c1cccc(C#N)c1 ZINC000506173731 1001260005 /nfs/dbraw/zinc/26/00/05/1001260005.db2.gz NOJGTJLEGWIXLI-XMMPIXPASA-N 0 3 413.525 3.928 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000506215400 1001283231 /nfs/dbraw/zinc/28/32/31/1001283231.db2.gz NZCQERYSHKEGFK-UHFFFAOYSA-N 0 3 419.529 3.671 20 30 HHEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OC(F)F ZINC000506258812 1001313051 /nfs/dbraw/zinc/31/30/51/1001313051.db2.gz KVXNZJWGWQKIPQ-UHFFFAOYSA-N 0 3 401.457 3.876 20 30 HHEDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000497415501 1001350663 /nfs/dbraw/zinc/35/06/63/1001350663.db2.gz HILFWNQMAQCSOJ-LOSJGSFVSA-N 0 3 411.505 3.965 20 30 HHEDHN COc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccc1OCC(=O)N1CCCC1 ZINC000506555535 1001458349 /nfs/dbraw/zinc/45/83/49/1001458349.db2.gz PAPXQLIGVPOTID-UHFFFAOYSA-N 0 3 419.525 3.733 20 30 HHEDHN C=CCOc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000506729955 1001507696 /nfs/dbraw/zinc/50/76/96/1001507696.db2.gz KGJZCEZHCOEHKW-UHFFFAOYSA-N 0 3 424.497 3.839 20 30 HHEDHN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497883688 1001549433 /nfs/dbraw/zinc/54/94/33/1001549433.db2.gz MMLFCHCVMZJPAJ-HNNXBMFYSA-N 0 3 403.885 3.708 20 30 HHEDHN CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000498028570 1001612235 /nfs/dbraw/zinc/61/22/35/1001612235.db2.gz CIDUQUVKRSAXPL-CTNGQTDRSA-N 0 3 420.557 3.892 20 30 HHEDHN CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000498028570 1001612239 /nfs/dbraw/zinc/61/22/39/1001612239.db2.gz CIDUQUVKRSAXPL-CTNGQTDRSA-N 0 3 420.557 3.892 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1C(F)(F)F ZINC000498381780 1001812220 /nfs/dbraw/zinc/81/22/20/1001812220.db2.gz IOLXEEFFYPGOSE-UHFFFAOYSA-N 0 3 405.420 3.546 20 30 HHEDHN C=CCc1ccc(OCC(=O)N2CCCN(CCCc3ccccc3)CC2)c(OC)c1 ZINC000507107024 1001814155 /nfs/dbraw/zinc/81/41/55/1001814155.db2.gz ZZXJCDFDACUCAX-UHFFFAOYSA-N 0 3 422.569 3.970 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000507210864 1001899420 /nfs/dbraw/zinc/89/94/20/1001899420.db2.gz LBIOCWMNICFSHV-HXUWFJFHSA-N 0 3 413.468 3.698 20 30 HHEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000507419391 1002060723 /nfs/dbraw/zinc/06/07/23/1002060723.db2.gz HOCDBNCFFQJZTD-BTYIYWSLSA-N 0 3 402.498 3.634 20 30 HHEDHN Cc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000507425814 1002065990 /nfs/dbraw/zinc/06/59/90/1002065990.db2.gz WLGPFXYMRGYLTI-XMSQKQJNSA-N 0 3 404.514 3.677 20 30 HHEDHN N#Cc1c(NC(=O)CCN(CCC2CCCCC2)CC(N)=O)sc2c1CCCC2 ZINC000507485461 1002100080 /nfs/dbraw/zinc/10/00/80/1002100080.db2.gz STFPYBYBIPKDKY-UHFFFAOYSA-N 0 3 416.591 3.585 20 30 HHEDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000507761463 1002330684 /nfs/dbraw/zinc/33/06/84/1002330684.db2.gz FDYHEPHWUBKANR-UHFFFAOYSA-N 0 3 420.513 3.623 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCc2cscn2)c1 ZINC000499043458 1002423782 /nfs/dbraw/zinc/42/37/82/1002423782.db2.gz KOXFVFRABVOWIV-UHFFFAOYSA-N 0 3 420.538 3.798 20 30 HHEDHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)N(CCC#N)c1ccccc1 ZINC000507894013 1002427669 /nfs/dbraw/zinc/42/76/69/1002427669.db2.gz KCMDLCLFLJLYQW-OAQYLSRUSA-N 0 3 400.910 3.819 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1-c1ccc(Cl)cc1 ZINC000499054556 1002437107 /nfs/dbraw/zinc/43/71/07/1002437107.db2.gz ROLWXZBVEYERMN-UHFFFAOYSA-N 0 3 421.932 3.910 20 30 HHEDHN COc1ccc(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)cc1OCCCC#N ZINC000508030188 1002553080 /nfs/dbraw/zinc/55/30/80/1002553080.db2.gz WKQMNBHGTKRIQX-HXUWFJFHSA-N 0 3 422.529 3.932 20 30 HHEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CSCc1ccc(C#N)cc1 ZINC000499370438 1002765920 /nfs/dbraw/zinc/76/59/20/1002765920.db2.gz SSQIFKAQFXQIBA-UHFFFAOYSA-N 0 3 403.498 3.660 20 30 HHEDHN C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(CC(C)C)CC1 ZINC000508489470 1002972349 /nfs/dbraw/zinc/97/23/49/1002972349.db2.gz NSNIEDAPZTZKFY-UHFFFAOYSA-N 0 3 413.566 3.705 20 30 HHEDHN C=CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000508715951 1003155850 /nfs/dbraw/zinc/15/58/50/1003155850.db2.gz QDVBGRZQNWTGMT-JOCHJYFZSA-N 0 3 403.530 3.791 20 30 HHEDHN C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000508885339 1003309144 /nfs/dbraw/zinc/30/91/44/1003309144.db2.gz OSSJHSFOLAIRPD-GKYDQMIMSA-N 0 3 401.599 3.898 20 30 HHEDHN C=CCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000508894183 1003324029 /nfs/dbraw/zinc/32/40/29/1003324029.db2.gz KFELRYRTLHJMNB-GHTZIAJQSA-N 0 3 413.614 3.696 20 30 HHEDHN C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000508921758 1003361149 /nfs/dbraw/zinc/36/11/49/1003361149.db2.gz MUVIPNMFLLULGV-QFIPXVFZSA-N 0 3 409.578 3.555 20 30 HHEDHN COc1ccc(C#N)cc1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509105413 1003556314 /nfs/dbraw/zinc/55/63/14/1003556314.db2.gz DMKANLSYFALNCQ-FQEVSTJZSA-N 0 3 403.404 3.960 20 30 HHEDHN Cn1cc(CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000501145917 1004234768 /nfs/dbraw/zinc/23/47/68/1004234768.db2.gz VOKUZHJPCQSHKH-JOCHJYFZSA-N 0 3 417.557 3.573 20 30 HHEDHN C[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(C#N)cc1F ZINC000512659584 1004470370 /nfs/dbraw/zinc/47/03/70/1004470370.db2.gz IGRCTCVMIPSEAP-OAHLLOKOSA-N 0 3 421.563 3.827 20 30 HHEDHN N#Cc1cccc(NC(=O)CCN[C@H]2CCOc3c(Br)cccc32)c1 ZINC000501502689 1004471176 /nfs/dbraw/zinc/47/11/76/1004471176.db2.gz NQVVSVQCVQSLIH-KRWDZBQOSA-N 0 3 400.276 3.763 20 30 HHEDHN CN(C)CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000512687691 1004493936 /nfs/dbraw/zinc/49/39/36/1004493936.db2.gz WANAQTMNULAQLS-UHFFFAOYSA-N 0 3 400.542 3.637 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000510560363 1004703430 /nfs/dbraw/zinc/70/34/30/1004703430.db2.gz RCVWVPYGZXYVEC-NRFANRHFSA-N 0 3 419.554 3.878 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)n1 ZINC000513107010 1004810261 /nfs/dbraw/zinc/81/02/61/1004810261.db2.gz BSFBFXWZHLIYNZ-FQEVSTJZSA-N 0 3 418.476 3.842 20 30 HHEDHN CC(C)c1ccccc1OC[C@H](O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000501972059 1004838480 /nfs/dbraw/zinc/83/84/80/1004838480.db2.gz TWKKABCLLCHRRB-JOCHJYFZSA-N 0 3 421.541 3.772 20 30 HHEDHN N#Cc1ccc(Cl)c(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c1 ZINC000513396829 1004942498 /nfs/dbraw/zinc/94/24/98/1004942498.db2.gz GEABWSKBGXNNTB-UHFFFAOYSA-N 0 3 401.869 3.624 20 30 HHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511240726 1005086903 /nfs/dbraw/zinc/08/69/03/1005086903.db2.gz IITKPNWNLCZUHG-UGKGYDQZSA-N 0 3 418.541 3.947 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cc1 ZINC000511353833 1005136047 /nfs/dbraw/zinc/13/60/47/1005136047.db2.gz RHJUBIWUROYBEY-QHCPKHFHSA-N 0 3 420.557 3.807 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000511373316 1005144990 /nfs/dbraw/zinc/14/49/90/1005144990.db2.gz XHDMBYUAEVYKGD-LADGPHEKSA-N 0 3 420.557 3.799 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)Nc3ccc(CC#N)cc3)CC2)c1 ZINC000503209312 1005369016 /nfs/dbraw/zinc/36/90/16/1005369016.db2.gz VXFIEWATSYHJMK-UHFFFAOYSA-N 0 3 405.546 3.785 20 30 HHEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000503280107 1005382819 /nfs/dbraw/zinc/38/28/19/1005382819.db2.gz IPWUIRQIYHNBMQ-HXUWFJFHSA-N 0 3 420.513 3.670 20 30 HHEDHN CCOc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000504376044 1005611546 /nfs/dbraw/zinc/61/15/46/1005611546.db2.gz ZYQSCWCWELYSQH-UHFFFAOYSA-N 0 3 414.937 3.884 20 30 HHEDHN C=CCCc1ccccc1NC(=O)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000504442940 1005630222 /nfs/dbraw/zinc/63/02/22/1005630222.db2.gz PJUIICXKFNDCGH-UHFFFAOYSA-N 0 3 423.479 3.665 20 30 HHEDHN CCN1CC[C@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000514426193 1005984547 /nfs/dbraw/zinc/98/45/47/1005984547.db2.gz MUEAIYYOTAJEJX-DCPHZVHLSA-N 0 3 422.495 3.560 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000514708840 1006090630 /nfs/dbraw/zinc/09/06/30/1006090630.db2.gz QKRQVTVVLCGSFA-MRXNPFEDSA-N 0 3 424.574 3.995 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000514874366 1006175993 /nfs/dbraw/zinc/17/59/93/1006175993.db2.gz WEMICOQMRXAGNJ-UHFFFAOYSA-N 0 3 419.982 3.877 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000531449965 1006204639 /nfs/dbraw/zinc/20/46/39/1006204639.db2.gz WPRWWQAVFJOMLD-PRHHBONVSA-N 0 3 407.514 3.873 20 30 HHEDHN COc1ccc(CNCc2ccc(C)cc2N2CCOCC2)cc1OCCCC#N ZINC000531487067 1006225749 /nfs/dbraw/zinc/22/57/49/1006225749.db2.gz OPQXQGGAMVRBMM-UHFFFAOYSA-N 0 3 409.530 3.813 20 30 HHEDHN C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000515239248 1006352359 /nfs/dbraw/zinc/35/23/59/1006352359.db2.gz AKVJJEIWXIIHQA-LJQANCHMSA-N 0 3 419.550 3.885 20 30 HHEDHN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000538390567 1006660406 /nfs/dbraw/zinc/66/04/06/1006660406.db2.gz SDQSSHKYAPIWPT-FIJUWNONSA-N 0 3 411.546 3.818 20 30 HHEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000515774710 1006663645 /nfs/dbraw/zinc/66/36/45/1006663645.db2.gz GZSJVYZWWLDILY-OAQYLSRUSA-N 0 3 407.514 3.679 20 30 HHEDHN COc1ccc([C@@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)c2nccn2C)cc1 ZINC000538398772 1006666676 /nfs/dbraw/zinc/66/66/76/1006666676.db2.gz TVUVEGFLOBMWOJ-XMMPIXPASA-N 0 3 415.541 3.644 20 30 HHEDHN Cn1ccnc1[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000538397545 1006666688 /nfs/dbraw/zinc/66/66/88/1006666688.db2.gz MFHQMBBLHQAZBV-QHCPKHFHSA-N 0 3 403.505 3.774 20 30 HHEDHN Cc1cccc(C)c1OC[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000516227116 1006961444 /nfs/dbraw/zinc/96/14/44/1006961444.db2.gz IMYFEJBDPURAEG-FQEVSTJZSA-N 0 3 408.546 3.716 20 30 HHEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@]1(C)CCCc2ccccc21 ZINC000538707829 1006984266 /nfs/dbraw/zinc/98/42/66/1006984266.db2.gz DPUCKUQYLHFVOI-DEOSSOPVSA-N 0 3 408.546 3.793 20 30 HHEDHN C=CCc1ccc(OC[C@H](O)CN(C)[C@H]2CCCc3nc(C)sc32)c(OC)c1 ZINC000532716441 1007128704 /nfs/dbraw/zinc/12/87/04/1007128704.db2.gz QHEQJGPODTZTDO-MJGOQNOKSA-N 0 3 402.560 3.938 20 30 HHEDHN C=CCN(C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000538958530 1007247443 /nfs/dbraw/zinc/24/74/43/1007247443.db2.gz CORKQNLTANMOOH-UHFFFAOYSA-N 0 3 424.511 3.968 20 30 HHEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000535207626 1007256084 /nfs/dbraw/zinc/25/60/84/1007256084.db2.gz RIWBCBLZFBZIQA-NRFANRHFSA-N 0 3 401.514 3.756 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)N(C)CCOCc2ccc(C#N)cc2)N(C)C)cc1 ZINC000516943280 1007348915 /nfs/dbraw/zinc/34/89/15/1007348915.db2.gz QSXAWYDVUTVGGL-HSZRJFAPSA-N 0 3 408.546 3.582 20 30 HHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000517243558 1007514160 /nfs/dbraw/zinc/51/41/60/1007514160.db2.gz UKKSEFVPMPAYCS-FOIQADDNSA-N 0 3 411.468 3.771 20 30 HHEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000539277668 1007572617 /nfs/dbraw/zinc/57/26/17/1007572617.db2.gz SMKWHHBHXZRDEK-LJQANCHMSA-N 0 3 403.324 3.536 20 30 HHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000539764831 1008080306 /nfs/dbraw/zinc/08/03/06/1008080306.db2.gz DGMIXUKIPPIYGQ-LJQANCHMSA-N 0 3 403.486 3.610 20 30 HHEDHN COc1ccc(C[C@@H](C)CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000533984462 1008248300 /nfs/dbraw/zinc/24/83/00/1008248300.db2.gz GGFCALYOIKRNIT-LJQANCHMSA-N 0 3 408.546 3.519 20 30 HHEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC000518333277 1008265502 /nfs/dbraw/zinc/26/55/02/1008265502.db2.gz PYSXMXDRBATBQO-OAQYLSRUSA-N 0 3 404.986 3.644 20 30 HHEDHN CN(C(=O)CCCCOc1cccc(C#N)c1)C1CCN(CCc2ccccn2)CC1 ZINC000518399316 1008287764 /nfs/dbraw/zinc/28/77/64/1008287764.db2.gz ZFLXYHKYIJVSDB-UHFFFAOYSA-N 0 3 420.557 3.668 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000518519857 1008335638 /nfs/dbraw/zinc/33/56/38/1008335638.db2.gz IIQWCOZGRJBZDF-SFHVURJKSA-N 0 3 406.530 3.950 20 30 HHEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000540549008 1008476934 /nfs/dbraw/zinc/47/69/34/1008476934.db2.gz ITUZFKZEAKAKQF-NFBKMPQASA-N 0 3 410.587 3.786 20 30 HHEDHN CCN1CC[C@@H](NCC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549117404 1008684999 /nfs/dbraw/zinc/68/49/99/1008684999.db2.gz VBZPGZCELDFGKM-UYAOXDASSA-N 0 3 406.933 3.547 20 30 HHEDHN CCOC(=O)[C@@H]1CC[C@@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000549235882 1008807392 /nfs/dbraw/zinc/80/73/92/1008807392.db2.gz PYMZAEMLLCHOIR-ZLNRFVROSA-N 0 3 417.509 3.825 20 30 HHEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCSCc1ccccc1C#N ZINC000519502311 1008873495 /nfs/dbraw/zinc/87/34/95/1008873495.db2.gz LVJDCDYUEWHKBL-UHFFFAOYSA-N 0 3 414.550 3.704 20 30 HHEDHN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000543347912 1008933789 /nfs/dbraw/zinc/93/37/89/1008933789.db2.gz VGUPIQACGCLNRX-NRFANRHFSA-N 0 3 408.502 3.542 20 30 HHEDHN C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000549676155 1009307550 /nfs/dbraw/zinc/30/75/50/1009307550.db2.gz YFSPLBRJQZWATF-UHFFFAOYSA-N 0 3 415.969 3.723 20 30 HHEDHN CC(C)[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2ccncc2)no1 ZINC000543770862 1009339730 /nfs/dbraw/zinc/33/97/30/1009339730.db2.gz MDHPZSRCDUDEKM-JOCHJYFZSA-N 0 3 416.529 3.955 20 30 HHEDHN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2CC(=O)N(CCC#N)CCC#N)c1 ZINC000544125932 1009734592 /nfs/dbraw/zinc/73/45/92/1009734592.db2.gz SQUFHSFUAFNALK-NOZRDPDXSA-N 0 3 416.525 3.882 20 30 HHEDHN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2CC(=O)N(CCC#N)CCC#N)c1 ZINC000544125933 1009734856 /nfs/dbraw/zinc/73/48/56/1009734856.db2.gz SQUFHSFUAFNALK-UKILVPOCSA-N 0 3 416.525 3.882 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000520692221 1009761034 /nfs/dbraw/zinc/76/10/34/1009761034.db2.gz QVCDVDGGFHDKSZ-AWEZNQCLSA-N 0 3 410.356 3.858 20 30 HHEDHN CS[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H]1N(C)C ZINC000546851804 1009813190 /nfs/dbraw/zinc/81/31/90/1009813190.db2.gz RSWMXLJUOTYVNU-XLIONFOSSA-N 0 3 414.506 3.999 20 30 HHEDHN C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc2c(c1)CCCC2 ZINC000544898395 1010473847 /nfs/dbraw/zinc/47/38/47/1010473847.db2.gz NMYNABWGFXVHIH-PGRDOPGGSA-N 0 3 422.598 3.687 20 30 HHEDHN COC(=O)CC1(NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCCC1 ZINC000548098871 1010529456 /nfs/dbraw/zinc/52/94/56/1010529456.db2.gz WJWBJLFTROPJIP-UHFFFAOYSA-N 0 3 414.550 3.886 20 30 HHEDHN N#Cc1c(F)cc(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1F ZINC000521685569 1010550198 /nfs/dbraw/zinc/55/01/98/1010550198.db2.gz HDWITUXVXLJGNQ-FQEVSTJZSA-N 0 3 423.385 3.907 20 30 HHEDHN Cc1ccc(-c2nc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cs2)n1C ZINC000536118268 1011236402 /nfs/dbraw/zinc/23/64/02/1011236402.db2.gz HCWOPOAOJQXMNJ-UHFFFAOYSA-N 0 3 407.543 3.533 20 30 HHEDHN CC[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000540591690 1011248779 /nfs/dbraw/zinc/24/87/79/1011248779.db2.gz KJZZEPXMEQKETR-PKTZIBPZSA-N 0 3 408.521 3.584 20 30 HHEDHN CC(C)(C)[C@@H](COc1ccccc1F)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000540592863 1011249494 /nfs/dbraw/zinc/24/94/94/1011249494.db2.gz RXRNUEOUKKMXAE-HXUWFJFHSA-N 0 3 404.507 3.554 20 30 HHEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000522845746 1011285658 /nfs/dbraw/zinc/28/56/58/1011285658.db2.gz DBYDJXFLYDWIBE-QFIPXVFZSA-N 0 3 408.502 3.925 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)N1CCCC[C@H]1C ZINC000523053541 1011523316 /nfs/dbraw/zinc/52/33/16/1011523316.db2.gz VDQXWNBKYWTTBA-QZTJIDSGSA-N 0 3 420.513 3.668 20 30 HHEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523083421 1011553435 /nfs/dbraw/zinc/55/34/35/1011553435.db2.gz CXTIGYZSKTWMIG-QZTJIDSGSA-N 0 3 420.513 3.526 20 30 HHEDHN CC(C)[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2cccnc2)no1 ZINC000540984721 1011618052 /nfs/dbraw/zinc/61/80/52/1011618052.db2.gz YMIBLFMSYFJNRV-JOCHJYFZSA-N 0 3 416.529 3.955 20 30 HHEDHN N#CCc1ccc(OC[C@H](O)CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000552145604 1012166445 /nfs/dbraw/zinc/16/64/45/1012166445.db2.gz VYXBOISMHUQQOY-OXQOHEQNSA-N 0 3 409.313 3.512 20 30 HHEDHN N#CC(C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nnc2n1CCCCC2 ZINC000552274208 1012288158 /nfs/dbraw/zinc/28/81/58/1012288158.db2.gz GQEPLPJFIJKYLC-MRXNPFEDSA-N 0 3 414.391 3.699 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000537058871 1012392078 /nfs/dbraw/zinc/39/20/78/1012392078.db2.gz BLGVXLLHXCETCP-LJQANCHMSA-N 0 3 417.513 3.868 20 30 HHEDHN C[C@H](N[C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541636581 1012451535 /nfs/dbraw/zinc/45/15/35/1012451535.db2.gz ADKCIHFBRSUYPJ-KSSFIOAISA-N 0 3 416.591 3.630 20 30 HHEDHN CCOc1ccc(Br)cc1CN(CCC(=O)N(C)CCC#N)C1CC1 ZINC000552438950 1012458158 /nfs/dbraw/zinc/45/81/58/1012458158.db2.gz QKXAKRAQVBKRKI-UHFFFAOYSA-N 0 3 408.340 3.574 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H](C)[C@@H]2COc3ccccc32)c1C#N ZINC000541694530 1012541250 /nfs/dbraw/zinc/54/12/50/1012541250.db2.gz BDDZYANCJYEFMZ-IERDGZPVSA-N 0 3 418.497 3.711 20 30 HHEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000537278346 1012732945 /nfs/dbraw/zinc/73/29/45/1012732945.db2.gz DISNVMSENYJSBX-XFQAVAEZSA-N 0 3 403.548 3.731 20 30 HHEDHN C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]2CCCC[C@@H]12 ZINC000542053145 1012964246 /nfs/dbraw/zinc/96/42/46/1012964246.db2.gz XVCPWNGEHGRVEJ-GHDARCQNSA-N 0 3 424.589 3.867 20 30 HHEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000587846438 1072707180 /nfs/dbraw/zinc/70/71/80/1072707180.db2.gz HOVSSPGBEXPZNF-KNQAVFIVSA-N 0 3 420.532 3.647 20 30 HHEDHN CC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000588023043 1072760002 /nfs/dbraw/zinc/76/00/02/1072760002.db2.gz OHJMPAYYONTQJO-FQEVSTJZSA-N 0 3 414.981 3.951 20 30 HHEDHN CN1CCC(N(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c2ccccc2)CC1 ZINC000588879719 1073325619 /nfs/dbraw/zinc/32/56/19/1073325619.db2.gz HNFVGJBGCLSXAE-LJQANCHMSA-N 0 3 406.505 3.651 20 30 HHEDHN N#CCCC[C@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccccc1 ZINC000590121801 1073568943 /nfs/dbraw/zinc/56/89/43/1073568943.db2.gz XQZWYAHKGGMFFW-SFHVURJKSA-N 0 3 411.303 3.982 20 30 HHEDHN C=CCn1c(-c2cccc3ccccc32)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000573169183 1074257906 /nfs/dbraw/zinc/25/79/06/1074257906.db2.gz XNLIXSVBVNPHIO-NRFANRHFSA-N 0 3 416.573 3.501 20 30 HHEDHN COc1ccc(CN(CC(=O)N[C@](C)(C#N)C2CC2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000573988232 1074749236 /nfs/dbraw/zinc/74/92/36/1074749236.db2.gz CFWGQXRKGXXBIA-VWQFJMCTSA-N 0 3 413.562 3.893 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 ZINC000594124787 1075264921 /nfs/dbraw/zinc/26/49/21/1075264921.db2.gz KSDBJHKUGARHQA-NBHGPNQESA-N 0 3 413.562 3.604 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)CC1 ZINC000303316892 971624313 /nfs/dbraw/zinc/62/43/13/971624313.db2.gz UHHXWLXJLMMDBF-UHFFFAOYSA-N 0 3 404.514 3.602 20 30 HHEDHN CN(C(=O)CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)C1(C#N)CCCCC1 ZINC000537564252 1013100996 /nfs/dbraw/zinc/10/09/96/1013100996.db2.gz RQRNZOFNLQVOOV-IBGZPJMESA-N 0 3 412.582 3.717 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303761884 972011508 /nfs/dbraw/zinc/01/15/08/972011508.db2.gz ORUDMORACBHSDU-UWJYYQICSA-N 0 3 420.557 3.720 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303761884 972011517 /nfs/dbraw/zinc/01/15/17/972011517.db2.gz ORUDMORACBHSDU-UWJYYQICSA-N 0 3 420.557 3.720 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303761879 972011543 /nfs/dbraw/zinc/01/15/43/972011543.db2.gz ORUDMORACBHSDU-DYESRHJHSA-N 0 3 420.557 3.720 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303761879 972011554 /nfs/dbraw/zinc/01/15/54/972011554.db2.gz ORUDMORACBHSDU-DYESRHJHSA-N 0 3 420.557 3.720 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000303856618 972397498 /nfs/dbraw/zinc/39/74/98/972397498.db2.gz LQMQIVSGOTYDSM-LJQANCHMSA-N 0 3 406.530 3.731 20 30 HHEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1COc2ccccc2O1 ZINC000011225210 962035906 /nfs/dbraw/zinc/03/59/06/962035906.db2.gz OFICHEISRYWQHL-HNNXBMFYSA-N 0 3 411.527 3.599 20 30 HHEDHN CC[C@H](CNC(=O)Nc1cc(C#N)ccc1OCCOC)N1CCc2ccccc2C1 ZINC000542421008 1013372514 /nfs/dbraw/zinc/37/25/14/1013372514.db2.gz DPIKRLLFXNCYSH-OAQYLSRUSA-N 0 3 422.529 3.542 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)N(C)C)cc1 ZINC000553535964 1013433231 /nfs/dbraw/zinc/43/32/31/1013433231.db2.gz ALIFNPCCTCSZND-QFIPXVFZSA-N 0 3 424.520 3.862 20 30 HHEDHN N#CC(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(C(F)(F)F)cn1 ZINC000048829775 964070197 /nfs/dbraw/zinc/07/01/97/964070197.db2.gz IHCXACLAMXBAJP-HNNXBMFYSA-N 0 3 401.304 3.684 20 30 HHEDHN COC(=O)C[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C1CCCCC1 ZINC000542529496 1013472053 /nfs/dbraw/zinc/47/20/53/1013472053.db2.gz GSHCPTFVZVIPLW-UZLBHIALSA-N 0 3 403.498 3.562 20 30 HHEDHN CCCCOc1ccc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049392011 964164625 /nfs/dbraw/zinc/16/46/25/964164625.db2.gz RFMLSGPSXMYBSK-GOSISDBHSA-N 0 3 402.458 3.866 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCN(C3CCCC3)CC2)c1C#N ZINC000027120215 964790011 /nfs/dbraw/zinc/79/00/11/964790011.db2.gz MJTCNFHZARWUTF-UHFFFAOYSA-N 0 3 423.536 3.604 20 30 HHEDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000056055102 966196291 /nfs/dbraw/zinc/19/62/91/966196291.db2.gz WSGNIFKJVJHSHR-UHFFFAOYSA-N 0 3 405.486 3.566 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)NCCCN2CCc3ccccc3C2)c1C#N ZINC000032400677 966242732 /nfs/dbraw/zinc/24/27/32/966242732.db2.gz DXRRQYSAYFEYNB-UHFFFAOYSA-N 0 3 406.555 3.731 20 30 HHEDHN C=CCN(CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1)Cc1cccc(C#N)c1 ZINC000063300011 966807410 /nfs/dbraw/zinc/80/74/10/966807410.db2.gz VJINNMWBQJZQDQ-UHFFFAOYSA-N 0 3 416.569 3.589 20 30 HHEDHN Cc1ccccc1CN1CCCN(C(=O)CN(Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000063750592 966946335 /nfs/dbraw/zinc/94/63/35/966946335.db2.gz KDODDSBZAUXOBU-UHFFFAOYSA-N 0 3 418.585 3.812 20 30 HHEDHN N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCCN3Cc3ccccc32)cc1C(F)(F)F ZINC000538131777 1013693584 /nfs/dbraw/zinc/69/35/84/1013693584.db2.gz PVUUWPWZHDCKBB-MRXNPFEDSA-N 0 3 421.444 3.750 20 30 HHEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(C#N)cc1 ZINC000064755532 967284960 /nfs/dbraw/zinc/28/49/60/967284960.db2.gz GJTHJZOKQJSRGY-UHFFFAOYSA-N 0 3 404.436 3.850 20 30 HHEDHN COc1ccc2cc(CNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)ccc2c1 ZINC000045379621 967442521 /nfs/dbraw/zinc/44/25/21/967442521.db2.gz WATLKVLLQXRVGK-UHFFFAOYSA-N 0 3 416.525 3.993 20 30 HHEDHN CCN(CC)S(=O)(=O)c1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)cc1 ZINC000047338997 968146059 /nfs/dbraw/zinc/14/60/59/968146059.db2.gz UKXKXQYHQBJXFK-LJQANCHMSA-N 0 3 407.495 3.755 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000047522532 968221014 /nfs/dbraw/zinc/22/10/14/968221014.db2.gz DTAVFKYVBKWEBG-INIZCTEOSA-N 0 3 406.530 3.809 20 30 HHEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000047522532 968221024 /nfs/dbraw/zinc/22/10/24/968221024.db2.gz DTAVFKYVBKWEBG-INIZCTEOSA-N 0 3 406.530 3.809 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)cc1 ZINC000048160244 968462615 /nfs/dbraw/zinc/46/26/15/968462615.db2.gz PBUQEYGMLDWKMG-JOCHJYFZSA-N 0 3 406.530 3.561 20 30 HHEDHN C=CCC[C@H](NCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccccc1 ZINC000538259398 1013801221 /nfs/dbraw/zinc/80/12/21/1013801221.db2.gz GMPGHBYOKAXTIZ-YADHBBJMSA-N 0 3 418.603 3.632 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1-c1cccc(C)c1 ZINC000065930657 968720703 /nfs/dbraw/zinc/72/07/03/968720703.db2.gz LWDKOUDKHMPLRN-UHFFFAOYSA-N 0 3 401.514 3.565 20 30 HHEDHN C/C=C/c1ccc(OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000065931387 968721797 /nfs/dbraw/zinc/72/17/97/968721797.db2.gz MEHSUSFCZSUSJR-FNORWQNLSA-N 0 3 407.514 3.569 20 30 HHEDHN C[C@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000065936348 968724632 /nfs/dbraw/zinc/72/46/32/968724632.db2.gz YFFMGDAHQOOYQT-INIZCTEOSA-N 0 3 419.447 3.935 20 30 HHEDHN COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000071812402 968861515 /nfs/dbraw/zinc/86/15/15/968861515.db2.gz CKWFUCHDWAAHDZ-GOSISDBHSA-N 0 3 413.543 3.597 20 30 HHEDHN N#Cc1ccccc1N1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000097428607 969137124 /nfs/dbraw/zinc/13/71/24/969137124.db2.gz IQMJWJUEBVBELV-QHCPKHFHSA-N 0 3 417.557 3.617 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000195660518 969938890 /nfs/dbraw/zinc/93/88/90/969938890.db2.gz TVBMOPYQHZJCIY-DNQXCXABSA-N 0 3 420.557 3.799 20 30 HHEDHN N#CC(C(=O)CCCOc1ccccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000140391528 970075051 /nfs/dbraw/zinc/07/50/51/970075051.db2.gz FQDKNMPJYAVWBE-OAHLLOKOSA-N 0 3 414.845 3.618 20 30 HHEDHN CCOc1cc(CNCc2cccc(C#N)c2)ccc1OCC(=O)N1CCCCC1 ZINC000236971557 970196723 /nfs/dbraw/zinc/19/67/23/970196723.db2.gz MHVYAPFBNCGIIB-UHFFFAOYSA-N 0 3 407.514 3.638 20 30 HHEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237009418 970206734 /nfs/dbraw/zinc/20/67/34/970206734.db2.gz FEQAZJHTUROZCJ-QZTJIDSGSA-N 0 3 415.559 3.859 20 30 HHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1 ZINC000237598815 970320367 /nfs/dbraw/zinc/32/03/67/970320367.db2.gz PFPANJOSLVFPAN-GOSISDBHSA-N 0 3 400.482 3.939 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@H](CO)C2CCCCC2)c1C#N ZINC000554635781 1013995453 /nfs/dbraw/zinc/99/54/53/1013995453.db2.gz MIQBDXGPHKRSHU-OAQYLSRUSA-N 0 3 412.509 3.574 20 30 HHEDHN Cc1noc2nc(C(C)C)cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c12 ZINC000195592402 970535162 /nfs/dbraw/zinc/53/51/62/970535162.db2.gz QETVBMKOBUHRKB-UHFFFAOYSA-N 0 3 405.502 3.730 20 30 HHEDHN C[C@H](NCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(C#N)cc1 ZINC000554844296 1014072027 /nfs/dbraw/zinc/07/20/27/1014072027.db2.gz SWASYBWJBYBWTG-HTAPYJJXSA-N 0 3 410.949 3.816 20 30 HHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409938453 973402329 /nfs/dbraw/zinc/40/23/29/973402329.db2.gz QIPFXYBIAFBEEF-HSZRJFAPSA-N 0 3 401.514 3.630 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000410144290 973631516 /nfs/dbraw/zinc/63/15/16/973631516.db2.gz GNBBCEPQZNEEPO-UHFFFAOYSA-N 0 3 422.426 3.990 20 30 HHEDHN C=CCN1CCC(NC(=O)c2cc(NCc3ccccc3)nc3ccccc32)CC1 ZINC000427959834 975367056 /nfs/dbraw/zinc/36/70/56/975367056.db2.gz YVLSCGPOZOTUEI-UHFFFAOYSA-N 0 3 400.526 4.227 20 30 HHEDHN CCOc1nc(C(F)(F)F)ccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000428188815 975516944 /nfs/dbraw/zinc/51/69/44/975516944.db2.gz AVJSRWQHIJIGHS-UHFFFAOYSA-N 0 3 420.435 3.575 20 30 HHEDHN C=CCOc1cccc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000428488074 975787245 /nfs/dbraw/zinc/78/72/45/975787245.db2.gz YSESKYQBOMGKTF-GOSISDBHSA-N 0 3 400.544 3.984 20 30 HHEDHN N#CCC[C@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000428963126 976251445 /nfs/dbraw/zinc/25/14/45/976251445.db2.gz CBYNAJORJONLNJ-PKTZIBPZSA-N 0 3 406.530 3.622 20 30 HHEDHN C=CCOc1ccccc1CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000429491762 976749026 /nfs/dbraw/zinc/74/90/26/976749026.db2.gz MQSQTEUNYFVOLY-BGYRXZFFSA-N 0 3 415.578 3.672 20 30 HHEDHN C=CCOc1ccccc1CNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000429491763 976749317 /nfs/dbraw/zinc/74/93/17/976749317.db2.gz MQSQTEUNYFVOLY-PMACEKPBSA-N 0 3 415.578 3.672 20 30 HHEDHN C=CCn1c(=O)c2ccccc2nc1SC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000430118129 977327860 /nfs/dbraw/zinc/32/78/60/977327860.db2.gz GDHPDUDMSQINGU-FQEVSTJZSA-N 0 3 421.566 3.966 20 30 HHEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)nc1 ZINC000430185812 977377888 /nfs/dbraw/zinc/37/78/88/977377888.db2.gz KHDNDKYKECLOBV-HSZRJFAPSA-N 0 3 422.492 3.854 20 30 HHEDHN C=CCN1C(=O)N(C2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430975989 977922716 /nfs/dbraw/zinc/92/27/16/977922716.db2.gz DMLGOMXNKUOLCT-QHCPKHFHSA-N 0 3 403.526 3.713 20 30 HHEDHN C[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000432192557 978707806 /nfs/dbraw/zinc/70/78/06/978707806.db2.gz NPYLRUHGXVUBFI-HXUWFJFHSA-N 0 3 418.541 3.790 20 30 HHEDHN COc1cc2c(cc1OC)CN(C(=O)CN[C@H](CCCC#N)c1ccccc1)CC2 ZINC000433019705 979043742 /nfs/dbraw/zinc/04/37/42/979043742.db2.gz KZKIKTKDHDJNJI-OAQYLSRUSA-N 0 3 407.514 3.613 20 30 HHEDHN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433021787 979044479 /nfs/dbraw/zinc/04/44/79/979044479.db2.gz YNJNALGRRCESHY-NRFANRHFSA-N 0 3 407.514 3.831 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(c3ncc(C)s3)CC2)c(OC)c1 ZINC000433168692 979113247 /nfs/dbraw/zinc/11/32/47/979113247.db2.gz SYSLRZIWFCVNDW-IBGZPJMESA-N 0 3 402.560 3.808 20 30 HHEDHN O[C@@H](COCC(F)(F)F)CN1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000433194541 979133902 /nfs/dbraw/zinc/13/39/02/979133902.db2.gz XLLGCPQGOPKERH-GFCCVEGCSA-N 0 3 419.337 3.786 20 30 HHEDHN N#CCCn1cc(CNCc2ccc(N3CCCCCC3)nc2)c(-c2ccncc2)n1 ZINC000433312847 979230683 /nfs/dbraw/zinc/23/06/83/979230683.db2.gz SJAPSKDPJHHSES-UHFFFAOYSA-N 0 3 415.545 3.924 20 30 HHEDHN Cc1cc(C)n(-c2ccccc2CNCc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000433327184 979239192 /nfs/dbraw/zinc/23/91/92/979239192.db2.gz NRFJVFAYZSYOKZ-UHFFFAOYSA-N 0 3 411.513 3.951 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000434784733 980397696 /nfs/dbraw/zinc/39/76/96/980397696.db2.gz DLJRFEWWWGVKFN-RTBURBONSA-N 0 3 407.514 3.970 20 30 HHEDHN Cn1cc([C@@H](NC2CCC(Oc3ncccc3C#N)CC2)c2cccc(F)c2)cn1 ZINC000437102800 981761710 /nfs/dbraw/zinc/76/17/10/981761710.db2.gz XTXBMINIBNBCHL-HRTMPFAESA-N 0 3 405.477 3.895 20 30 HHEDHN C=C(C)Cn1c(COc2ccccc2OCC)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460559944 982345829 /nfs/dbraw/zinc/34/58/29/982345829.db2.gz NKVODHLUTYRKOP-IBGZPJMESA-N 0 3 411.550 3.505 20 30 HHEDHN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000460562802 982348547 /nfs/dbraw/zinc/34/85/47/982348547.db2.gz IGOFFYGDOCJNDM-XZOQPEGZSA-N 0 3 422.621 3.612 20 30 HHEDHN CCOCCCn1c([C@@H](C)CC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460795131 982547865 /nfs/dbraw/zinc/54/78/65/982547865.db2.gz YOGVQSVDKBACIU-FQEVSTJZSA-N 0 3 424.593 3.802 20 30 HHEDHN Cc1nc(SCC(=O)N(CCN(C)C)Cc2cccs2)c(C#N)c(C)c1C ZINC000438541666 982879781 /nfs/dbraw/zinc/87/97/81/982879781.db2.gz RSSKUAKRCCRTPY-UHFFFAOYSA-N 0 3 402.589 3.623 20 30 HHEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H]1C ZINC000461497563 983148973 /nfs/dbraw/zinc/14/89/73/983148973.db2.gz PYWADARHGYRGHS-IAGOWNOFSA-N 0 3 406.559 3.845 20 30 HHEDHN C[C@@H]1C[C@H](c2ccccc2)CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000439328173 983367541 /nfs/dbraw/zinc/36/75/41/983367541.db2.gz WXRWTRWXZKMQJA-FCEUIQTBSA-N 0 3 422.598 3.725 20 30 HHEDHN C=CCc1ccc(OCC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(OC)c1 ZINC000439741659 983521635 /nfs/dbraw/zinc/52/16/35/983521635.db2.gz RPOFORXSLLRZCU-SFHVURJKSA-N 0 3 409.530 3.539 20 30 HHEDHN CCN1CCN(C[C@@H](C)CNc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440647190 983837077 /nfs/dbraw/zinc/83/70/77/983837077.db2.gz HFZXSPMENRRARL-HNNXBMFYSA-N 0 3 416.367 3.554 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000441686199 984395005 /nfs/dbraw/zinc/39/50/05/984395005.db2.gz IYGKZEXMTCEDOY-WWMYMODYSA-N 0 3 424.570 3.827 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000461762049 984767084 /nfs/dbraw/zinc/76/70/84/984767084.db2.gz AXNXDCBGZIEVGC-DHIUTWEWSA-N 0 3 406.530 3.552 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000442261572 984779743 /nfs/dbraw/zinc/77/97/43/984779743.db2.gz FWIITXSYBXOGQL-UHFFFAOYSA-N 0 3 421.585 3.860 20 30 HHEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 ZINC000442283967 984789666 /nfs/dbraw/zinc/78/96/66/984789666.db2.gz GVBAPRNGOKENNM-UHFFFAOYSA-N 0 3 413.905 3.837 20 30 HHEDHN Cc1cc(=O)c(C(=O)C(C#N)c2nc3ccccc3[nH]2)nn1-c1cccc(Cl)c1 ZINC000442611362 985090840 /nfs/dbraw/zinc/09/08/40/985090840.db2.gz RYRKGLAOICITFR-OAHLLOKOSA-N 0 3 403.829 3.561 20 30 HHEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(c3noc(C4CC4)n3)CC1)CCC2 ZINC000462239462 985221592 /nfs/dbraw/zinc/22/15/92/985221592.db2.gz YDRKPUMWKTVYSI-UHFFFAOYSA-N 0 3 411.531 3.577 20 30 HHEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000443080800 985366066 /nfs/dbraw/zinc/36/60/66/985366066.db2.gz SKQPIAIRQHQEIK-IHWFROFDSA-N 0 3 415.946 3.686 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000443679051 985889687 /nfs/dbraw/zinc/88/96/87/985889687.db2.gz YRABCEILWWFYIG-BGYRXZFFSA-N 0 3 421.541 3.756 20 30 HHEDHN COc1ccccc1-c1noc([C@H](C)NC2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000463208002 986179025 /nfs/dbraw/zinc/17/90/25/986179025.db2.gz VHIWYIBNDVFFEC-KRWDZBQOSA-N 0 3 417.513 3.932 20 30 HHEDHN CC(C)CN(CCN(C)C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000444023436 986216625 /nfs/dbraw/zinc/21/66/25/986216625.db2.gz NVAQQBUVLZQTAQ-UHFFFAOYSA-N 0 3 407.518 3.862 20 30 HHEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000444455015 986637471 /nfs/dbraw/zinc/63/74/71/986637471.db2.gz RDFAJOVIAMRIPS-QHCPKHFHSA-N 0 3 407.514 3.557 20 30 HHEDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469301270 987016059 /nfs/dbraw/zinc/01/60/59/987016059.db2.gz NAJYGVVBBAKYLW-UHFFFAOYSA-N 0 3 402.498 3.850 20 30 HHEDHN N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCN(C4CCCCC4)CC3)ccc21 ZINC000470542524 988549409 /nfs/dbraw/zinc/54/94/09/988549409.db2.gz PDTAVMNWOIHVTM-UHFFFAOYSA-N 0 3 423.561 3.752 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000471241977 989387554 /nfs/dbraw/zinc/38/75/54/989387554.db2.gz DQLKZWHZXKXAIM-SFHVURJKSA-N 0 3 423.590 3.927 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000465857042 990967557 /nfs/dbraw/zinc/96/75/57/990967557.db2.gz HLOHOAHYMCXDAQ-OAHLLOKOSA-N 0 3 410.356 3.556 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N2CCN([C@@H](CC)c3ccc(F)cc3F)CC2)CC1 ZINC000465862738 990974721 /nfs/dbraw/zinc/97/47/21/990974721.db2.gz PICQSPUYYIPNDZ-QFIPXVFZSA-N 0 3 420.548 3.784 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000466597870 991914138 /nfs/dbraw/zinc/91/41/38/991914138.db2.gz BMJJBNYOUATIBM-IBGZPJMESA-N 0 3 407.518 3.892 20 30 HHEDHN CSc1ccc(F)cc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000466804468 992113214 /nfs/dbraw/zinc/11/32/14/992113214.db2.gz VGOPSXSSINVNNX-UHFFFAOYSA-N 0 3 400.523 3.693 20 30 HHEDHN C=CCCN(C)C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000466982966 992293310 /nfs/dbraw/zinc/29/33/10/992293310.db2.gz NZXOKBXQWCAWCY-UHFFFAOYSA-N 0 3 412.500 3.825 20 30 HHEDHN CN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472466487 993468679 /nfs/dbraw/zinc/46/86/79/993468679.db2.gz AKJFOCAJADBCBB-FQEVSTJZSA-N 0 3 408.571 3.837 20 30 HHEDHN C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000481064296 993904613 /nfs/dbraw/zinc/90/46/13/993904613.db2.gz UTOVHZUDSHABIH-LAUBAEHRSA-N 0 3 415.534 3.512 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CC1 ZINC000482387942 995372430 /nfs/dbraw/zinc/37/24/30/995372430.db2.gz PILIZQXZXIUIAA-HNNXBMFYSA-N 0 3 407.383 3.841 20 30 HHEDHN N#CCCn1cc(CN2CCC(c3nnc4n3CCCC4)CC2)c(-c2ccccc2)n1 ZINC000482494127 995504010 /nfs/dbraw/zinc/50/40/10/995504010.db2.gz ZQNUMVRWWORDNN-UHFFFAOYSA-N 0 3 415.545 3.771 20 30 HHEDHN CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474622046 995571726 /nfs/dbraw/zinc/57/17/26/995571726.db2.gz KWDWELWXCLLLBJ-KRWDZBQOSA-N 0 3 400.429 3.898 20 30 HHEDHN CC(C)OCCN1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000474877433 995772113 /nfs/dbraw/zinc/77/21/13/995772113.db2.gz ZBKPFYIEDAEISB-UHFFFAOYSA-N 0 3 407.514 3.970 20 30 HHEDHN CC(C)(C#N)c1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000474955325 995823924 /nfs/dbraw/zinc/82/39/24/995823924.db2.gz MHRXGAVCXREKND-UHFFFAOYSA-N 0 3 404.558 3.820 20 30 HHEDHN N#Cc1ccc(CNC[C@@H]2CCCN2Cc2ccc(I)cc2)o1 ZINC000475635829 996266644 /nfs/dbraw/zinc/26/66/44/996266644.db2.gz SBGHOFTTWDUPFZ-INIZCTEOSA-N 0 3 421.282 3.510 20 30 HHEDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)CC2(C#N)CCCCC2)CCN1Cc1ccccc1 ZINC000475789877 996372999 /nfs/dbraw/zinc/37/29/99/996372999.db2.gz KRPDMARZZSHXTB-TZIWHRDSSA-N 0 3 403.592 3.775 20 30 HHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484669077 997008863 /nfs/dbraw/zinc/00/88/63/997008863.db2.gz JRBVVQZYMNPNFE-OKBVGWRXSA-N 0 3 414.638 3.653 20 30 HHEDHN N#Cc1ccccc1OC1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000476663595 997201960 /nfs/dbraw/zinc/20/19/60/997201960.db2.gz ZBSQORSEARSTCF-OOMBGRCJSA-N 0 3 418.541 3.822 20 30 HHEDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000477076880 997729297 /nfs/dbraw/zinc/72/92/97/997729297.db2.gz POYMVKJXRIYFRM-PWFNWSNSSA-N 0 3 403.935 3.971 20 30 HHEDHN N#Cc1ccc(CN2CC[C@@H](NCc3ccc(-n4cnc5ccccc54)cc3)C2=O)cc1 ZINC000486852100 998973278 /nfs/dbraw/zinc/97/32/78/998973278.db2.gz CVSRIIYPBPHYDB-XMMPIXPASA-N 0 3 421.504 3.788 20 30 HHEDHN CCC(CC)(CNCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C(=O)OC ZINC000487742690 999273504 /nfs/dbraw/zinc/27/35/04/999273504.db2.gz WGJGEDQSLGTMBU-UHFFFAOYSA-N 0 3 416.566 3.989 20 30 HHEDHN Cc1cc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)ccc1C#N ZINC000488197745 999411573 /nfs/dbraw/zinc/41/15/73/999411573.db2.gz UABMCWIZTVTYPU-KRWDZBQOSA-N 0 3 413.319 3.875 20 30 HHEDHN CCCCNC(=O)c1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000479880896 999634533 /nfs/dbraw/zinc/63/45/33/999634533.db2.gz AILMAEZGYUYPKG-UHFFFAOYSA-N 0 3 401.514 3.778 20 30 HHEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccco1 ZINC000480272076 999760758 /nfs/dbraw/zinc/76/07/58/999760758.db2.gz VYSLOJODXXCTCA-WMLDXEAASA-N 0 3 410.453 3.727 20 30 HHEDHN C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000480296777 999765354 /nfs/dbraw/zinc/76/53/54/999765354.db2.gz BKKSEOSHFOQIRC-VFNWGFHPSA-N 0 3 406.465 3.696 20 30 HHEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000491571080 1000084402 /nfs/dbraw/zinc/08/44/02/1000084402.db2.gz ZUUYWXAMFNBVSJ-CTNGQTDRSA-N 0 3 419.550 3.694 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492599137 1000134557 /nfs/dbraw/zinc/13/45/57/1000134557.db2.gz CEVWMULJFWEDOD-GOSISDBHSA-N 0 3 409.452 3.707 20 30 HHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492599138 1000134569 /nfs/dbraw/zinc/13/45/69/1000134569.db2.gz CEVWMULJFWEDOD-SFHVURJKSA-N 0 3 409.452 3.707 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)CC1 ZINC000493836207 1000196613 /nfs/dbraw/zinc/19/66/13/1000196613.db2.gz OZCSBJCMAZUMBW-MOPGFXCFSA-N 0 3 412.361 3.633 20 30 HHEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1C#N ZINC000494050361 1000283603 /nfs/dbraw/zinc/28/36/03/1000283603.db2.gz QIDGRWLCLCIGCK-QRWLVFNGSA-N 0 3 406.555 3.945 20 30 HHEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494884664 1000711343 /nfs/dbraw/zinc/71/13/43/1000711343.db2.gz BOTBAWYGPJHXCC-QZTJIDSGSA-N 0 3 400.567 3.724 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000505392560 1000744706 /nfs/dbraw/zinc/74/47/06/1000744706.db2.gz VKJHOKMBMIWHNE-UHFFFAOYSA-N 0 3 405.502 3.502 20 30 HHEDHN CC1CCN([C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000505799403 1001032567 /nfs/dbraw/zinc/03/25/67/1001032567.db2.gz QBONUYMFGZUNRX-HYBUGGRVSA-N 0 3 413.562 3.837 20 30 HHEDHN N#Cc1ccc2ncc(CN3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)n2c1 ZINC000506296536 1001337016 /nfs/dbraw/zinc/33/70/16/1001337016.db2.gz ABUIDEIZDIEDPC-UHFFFAOYSA-N 0 3 413.447 3.933 20 30 HHEDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000497399778 1001338448 /nfs/dbraw/zinc/33/84/48/1001338448.db2.gz PCSAJSWILZUKGT-LOSJGSFVSA-N 0 3 411.505 3.965 20 30 HHEDHN CCCCCNC(=O)C1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000506872537 1001574822 /nfs/dbraw/zinc/57/48/22/1001574822.db2.gz CGZLSKQLZYGWCL-UHFFFAOYSA-N 0 3 407.562 3.982 20 30 HHEDHN C=CCOc1ccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1OC ZINC000507021735 1001768522 /nfs/dbraw/zinc/76/85/22/1001768522.db2.gz LENAZKZKHNNPCI-UHFFFAOYSA-N 0 3 412.505 3.928 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1c(Cl)cccc1Cl ZINC000498391050 1001819972 /nfs/dbraw/zinc/81/99/72/1001819972.db2.gz RKTHKCWAZYKNNL-UHFFFAOYSA-N 0 3 406.313 3.834 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(OC)cc2OC)CC2CC2)CC1 ZINC000507177346 1001864227 /nfs/dbraw/zinc/86/42/27/1001864227.db2.gz HAAYPULMRTWSJW-UHFFFAOYSA-N 0 3 401.551 3.666 20 30 HHEDHN N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC000507321681 1002000330 /nfs/dbraw/zinc/00/03/30/1002000330.db2.gz YEVDEWXLOFLGML-QFIPXVFZSA-N 0 3 418.541 3.776 20 30 HHEDHN CCCCCC(=O)NC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000498667672 1002061443 /nfs/dbraw/zinc/06/14/43/1002061443.db2.gz OAYYIFSMOHOGNU-UHFFFAOYSA-N 0 3 416.591 3.598 20 30 HHEDHN Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000507425812 1002065725 /nfs/dbraw/zinc/06/57/25/1002065725.db2.gz WLGPFXYMRGYLTI-PGRDOPGGSA-N 0 3 404.514 3.677 20 30 HHEDHN C/C=C\c1ccc(OC[C@H](O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000507850832 1002389594 /nfs/dbraw/zinc/38/95/94/1002389594.db2.gz YWTSKPNQYMTKDJ-VKUXZERMSA-N 0 3 422.525 3.883 20 30 HHEDHN COc1ccc(C[C@H](NCC(=O)NC2(C#N)CCCCC2)c2ccc(OC)cc2)cc1 ZINC000499051262 1002432641 /nfs/dbraw/zinc/43/26/41/1002432641.db2.gz CJTCRYRFOSQIQZ-QHCPKHFHSA-N 0 3 421.541 3.920 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000508392926 1002883469 /nfs/dbraw/zinc/88/34/69/1002883469.db2.gz QQLNILDNVQQGNL-QHCPKHFHSA-N 0 3 406.530 3.722 20 30 HHEDHN C=CCn1c(-c2cccc3cccnc32)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC000508478307 1002962809 /nfs/dbraw/zinc/96/28/09/1002962809.db2.gz QJSDHVSLOXXPAV-HXUWFJFHSA-N 0 3 420.561 3.616 20 30 HHEDHN C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508900128 1003333415 /nfs/dbraw/zinc/33/34/15/1003333415.db2.gz AHNZGXKNPYJBJY-FDDCHVKYSA-N 0 3 406.530 3.802 20 30 HHEDHN C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508900133 1003334198 /nfs/dbraw/zinc/33/41/98/1003334198.db2.gz AHNZGXKNPYJBJY-WZONZLPQSA-N 0 3 406.530 3.802 20 30 HHEDHN C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(C2CCCC2)CC1 ZINC000508915604 1003354967 /nfs/dbraw/zinc/35/49/67/1003354967.db2.gz XVPAMNWELBRTPX-UHFFFAOYSA-N 0 3 413.591 3.830 20 30 HHEDHN C=CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000508957072 1003414834 /nfs/dbraw/zinc/41/48/34/1003414834.db2.gz WIMMIDMCRBXPIZ-UHFFFAOYSA-N 0 3 402.546 3.551 20 30 HHEDHN CCCN(CCN1CCCCC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000500884310 1004026852 /nfs/dbraw/zinc/02/68/52/1004026852.db2.gz FMOYQKKWGVHUJJ-UHFFFAOYSA-N 0 3 413.566 3.551 20 30 HHEDHN C=CCN(CC=C)[C@@H](CNCc1ncc(I)s1)C(C)C ZINC000512137799 1004050327 /nfs/dbraw/zinc/05/03/27/1004050327.db2.gz VZOHUPLIRWZGHO-ZDUSSCGKSA-N 0 3 405.349 3.536 20 30 HHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000512511794 1004352106 /nfs/dbraw/zinc/35/21/06/1004352106.db2.gz LWRLFNIZESDBTJ-QPPBQGQZSA-N 0 3 423.605 3.621 20 30 HHEDHN C[C@]1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCCN1Cc1ccccc1 ZINC000501605974 1004547680 /nfs/dbraw/zinc/54/76/80/1004547680.db2.gz LAWACWVXRFJXIW-HXUWFJFHSA-N 0 3 402.420 3.757 20 30 HHEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812511 1004574673 /nfs/dbraw/zinc/57/46/73/1004574673.db2.gz VKUCLSPPCVHZCF-HXUWFJFHSA-N 0 3 410.489 3.709 20 30 HHEDHN N#CCCn1cc(CN2CCC(CC(=O)N3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000510476184 1004592657 /nfs/dbraw/zinc/59/26/57/1004592657.db2.gz XBKDBJZKRLJHMX-UHFFFAOYSA-N 0 3 405.546 3.688 20 30 HHEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000513454002 1004974148 /nfs/dbraw/zinc/97/41/48/1004974148.db2.gz BUZPPATZJIFFKL-INIZCTEOSA-N 0 3 409.711 3.846 20 30 HHEDHN C=CCOc1cccc(NC(=O)NCc2ccc(CN3CCN(CC)CC3)cc2)c1 ZINC000511020190 1004982975 /nfs/dbraw/zinc/98/29/75/1004982975.db2.gz WQNXZJFKAGLORY-UHFFFAOYSA-N 0 3 408.546 3.711 20 30 HHEDHN Cc1cccc(CN(CCN(C)C)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000511147853 1005045001 /nfs/dbraw/zinc/04/50/01/1005045001.db2.gz VKPBGXHBICISCR-UHFFFAOYSA-N 0 3 422.548 3.813 20 30 HHEDHN C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1=CCN(C)CC1 ZINC000511249554 1005090875 /nfs/dbraw/zinc/09/08/75/1005090875.db2.gz LNYGYLZJOZCAFG-MRXNPFEDSA-N 0 3 403.486 3.582 20 30 HHEDHN N#Cc1ccc(NC(=O)CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1Cl ZINC000502549195 1005114008 /nfs/dbraw/zinc/11/40/08/1005114008.db2.gz ZWBRTNNGKQYSRT-HXUWFJFHSA-N 0 3 404.297 3.795 20 30 HHEDHN CC(C)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(F)cc1 ZINC000502564538 1005120776 /nfs/dbraw/zinc/12/07/76/1005120776.db2.gz VRWJDVQALQOOEY-UGKGYDQZSA-N 0 3 414.550 3.583 20 30 HHEDHN O=C(NCC#Cc1cccc(F)c1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000513911918 1005184374 /nfs/dbraw/zinc/18/43/74/1005184374.db2.gz WMJURNLJNBXBJR-NRFANRHFSA-N 0 3 404.407 3.748 20 30 HHEDHN CC(C)(NCCC(=O)Nc1sc2c(c1C#N)CCCC2)C(=O)NCC1CCCC1 ZINC000502751724 1005201092 /nfs/dbraw/zinc/20/10/92/1005201092.db2.gz VVBKUBWATIUDEL-UHFFFAOYSA-N 0 3 416.591 3.502 20 30 HHEDHN CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000511737963 1005299986 /nfs/dbraw/zinc/29/99/86/1005299986.db2.gz YYKUFBRTSLAROJ-UHFFFAOYSA-N 0 3 403.417 3.943 20 30 HHEDHN Cc1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)nn1-c1cccc(C#N)c1 ZINC000503126375 1005353286 /nfs/dbraw/zinc/35/32/86/1005353286.db2.gz NLFDCWZEAZKVAG-UHFFFAOYSA-N 0 3 423.586 3.534 20 30 HHEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000503280816 1005382994 /nfs/dbraw/zinc/38/29/94/1005382994.db2.gz NYEHMONVVOLOIB-HXUWFJFHSA-N 0 3 420.513 3.670 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000503342062 1005394071 /nfs/dbraw/zinc/39/40/71/1005394071.db2.gz FEJUBNWPDUFKNZ-UHFFFAOYSA-N 0 3 401.308 3.916 20 30 HHEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(C)C ZINC000503414646 1005413195 /nfs/dbraw/zinc/41/31/95/1005413195.db2.gz YLLBTVGWIDJSTI-NRFANRHFSA-N 0 3 409.534 3.978 20 30 HHEDHN N#Cc1ccc(C2=CCN(C(=O)CCCN3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000503878814 1005503970 /nfs/dbraw/zinc/50/39/70/1005503970.db2.gz WVNQLRUSZOVVTE-UHFFFAOYSA-N 0 3 414.553 3.776 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)OC)c1ccccc1F ZINC000531408116 1006177818 /nfs/dbraw/zinc/17/78/18/1006177818.db2.gz FEMGOJXUDAYLDB-IBGZPJMESA-N 0 3 418.538 3.638 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1noc(-c2ccsc2)n1 ZINC000515037143 1006263965 /nfs/dbraw/zinc/26/39/65/1006263965.db2.gz BCHFNLJIEWHUTG-UHFFFAOYSA-N 0 3 416.576 3.896 20 30 HHEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C)c1)C(C)C ZINC000515152607 1006315039 /nfs/dbraw/zinc/31/50/39/1006315039.db2.gz KWBQOHWULIZOJM-SFHVURJKSA-N 0 3 422.367 3.511 20 30 HHEDHN Cc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1CCO[C@H]1CCCCO1 ZINC000534673971 1006651849 /nfs/dbraw/zinc/65/18/49/1006651849.db2.gz CBMWQOIZWSPDMA-QAPCUYQASA-N 0 3 422.407 3.639 20 30 HHEDHN C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc2ccccc21 ZINC000538390014 1006659341 /nfs/dbraw/zinc/65/93/41/1006659341.db2.gz MNMPYSDBDMDHHV-XMSQKQJNSA-N 0 3 418.566 3.961 20 30 HHEDHN Cn1ccnc1[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000538397544 1006666165 /nfs/dbraw/zinc/66/61/65/1006666165.db2.gz MFHQMBBLHQAZBV-HSZRJFAPSA-N 0 3 403.505 3.774 20 30 HHEDHN N#Cc1ccccc1COc1cccc(CN[C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000532566278 1006998045 /nfs/dbraw/zinc/99/80/45/1006998045.db2.gz QXCUTWWCHSWAGN-FQEVSTJZSA-N 0 3 417.431 3.780 20 30 HHEDHN COc1ccc(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1OCCCC#N ZINC000538731825 1007012909 /nfs/dbraw/zinc/01/29/09/1007012909.db2.gz QXRQLMALNRIHNZ-IBGZPJMESA-N 0 3 401.551 3.752 20 30 HHEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000532768566 1007171159 /nfs/dbraw/zinc/17/11/59/1007171159.db2.gz ZNTZHIYKFZRNMG-HXUWFJFHSA-N 0 3 408.521 3.669 20 30 HHEDHN COc1cc(CN(C)CCC(=O)Nc2sccc2C#N)c(SC)cc1OC ZINC000532973879 1007343451 /nfs/dbraw/zinc/34/34/51/1007343451.db2.gz VVRXYHDLONPEHV-UHFFFAOYSA-N 0 3 405.545 3.819 20 30 HHEDHN CCN(CC(=O)Nc1cccc(C#N)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533074373 1007436623 /nfs/dbraw/zinc/43/66/23/1007436623.db2.gz WDQRSJMTIGLHQA-UHFFFAOYSA-N 0 3 420.561 3.710 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)CC1 ZINC000517325320 1007568241 /nfs/dbraw/zinc/56/82/41/1007568241.db2.gz NGYUSWZRUONGCZ-UHFFFAOYSA-N 0 3 401.429 3.798 20 30 HHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533251205 1007569492 /nfs/dbraw/zinc/56/94/92/1007569492.db2.gz QULPYERLZGOUBM-UHFFFAOYSA-N 0 3 411.303 3.739 20 30 HHEDHN CC[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccc2c(c1)OCCO2 ZINC000539278601 1007573425 /nfs/dbraw/zinc/57/34/25/1007573425.db2.gz DJZIZUZSHJODJP-PKOBYXMFSA-N 0 3 423.513 3.842 20 30 HHEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000539288389 1007585443 /nfs/dbraw/zinc/58/54/43/1007585443.db2.gz HEXHWCOBNCOMIZ-RTBURBONSA-N 0 3 417.513 3.867 20 30 HHEDHN N#Cc1c(NC(=O)CCNC2(c3ccc4c(c3)OCO4)CC2)sc2c1CCCC2 ZINC000539332885 1007631709 /nfs/dbraw/zinc/63/17/09/1007631709.db2.gz XTMLJLLGXGCOMT-UHFFFAOYSA-N 0 3 409.511 3.835 20 30 HHEDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000539365384 1007668577 /nfs/dbraw/zinc/66/85/77/1007668577.db2.gz RMKBIXPHVRVLLE-SJBKTWHCSA-N 0 3 422.598 3.643 20 30 HHEDHN Cc1ccccc1[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)C ZINC000539490953 1007801824 /nfs/dbraw/zinc/80/18/24/1007801824.db2.gz JDFNBENSMHJXBX-OFNKIYASSA-N 0 3 410.587 3.752 20 30 HHEDHN C[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)N(C)Cc1ccccc1 ZINC000517657321 1007869099 /nfs/dbraw/zinc/86/90/99/1007869099.db2.gz PSUKDCRNWGPBED-SFHVURJKSA-N 0 3 403.482 3.981 20 30 HHEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)COc3cccc4ccccc43)CC2)c1 ZINC000517907905 1008050669 /nfs/dbraw/zinc/05/06/69/1008050669.db2.gz KURLQOLLGNWSMV-OAQYLSRUSA-N 0 3 402.494 3.995 20 30 HHEDHN C=CCN1CCC(NC(=O)c2ccccc2SCc2occc2C(=O)OC)CC1 ZINC000517988559 1008088643 /nfs/dbraw/zinc/08/86/43/1008088643.db2.gz PLGHEPXYILMMMA-UHFFFAOYSA-N 0 3 414.527 3.739 20 30 HHEDHN C=CCN1CCC(NC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000518016155 1008105251 /nfs/dbraw/zinc/10/52/51/1008105251.db2.gz ACMRULXYNHFHBK-UHFFFAOYSA-N 0 3 404.558 3.699 20 30 HHEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000518751264 1008413913 /nfs/dbraw/zinc/41/39/13/1008413913.db2.gz MIXHVWXYFLCBQR-ROUUACIJSA-N 0 3 420.513 3.526 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000540435624 1008433162 /nfs/dbraw/zinc/43/31/62/1008433162.db2.gz NVELNLAUTJVLIR-LJQANCHMSA-N 0 3 417.513 3.868 20 30 HHEDHN CS[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H]1N(C)C ZINC000545421710 1008531327 /nfs/dbraw/zinc/53/13/27/1008531327.db2.gz CLEYIGAWBVTAFE-FCHUYYIVSA-N 0 3 424.570 3.841 20 30 HHEDHN C=CCn1c(CCC2CCCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000548948358 1008534250 /nfs/dbraw/zinc/53/42/50/1008534250.db2.gz QSXJKDWZBMIJBJ-JOCHJYFZSA-N 0 3 414.642 3.582 20 30 HHEDHN C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000548957243 1008541251 /nfs/dbraw/zinc/54/12/51/1008541251.db2.gz FLULRMUSRPGRDJ-GOTSBHOMSA-N 0 3 422.621 3.611 20 30 HHEDHN CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542990248 1008570532 /nfs/dbraw/zinc/57/05/32/1008570532.db2.gz OMRCAQRLYDMWPR-UHFFFAOYSA-N 0 3 403.417 3.943 20 30 HHEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549037910 1008605651 /nfs/dbraw/zinc/60/56/51/1008605651.db2.gz XFFMTHCTVVHFFX-JJXUHFIVSA-N 0 3 408.949 3.601 20 30 HHEDHN CN(C(=O)c1cccc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1)c1ccccc1 ZINC000519252720 1008658677 /nfs/dbraw/zinc/65/86/77/1008658677.db2.gz QPIXZTMUIZUKQF-HXUWFJFHSA-N 0 3 413.481 3.771 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2nc(CC)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000519271097 1008679813 /nfs/dbraw/zinc/67/98/13/1008679813.db2.gz QZJWYJKRNAAEBI-UHFFFAOYSA-N 0 3 422.360 3.907 20 30 HHEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000549235881 1008807674 /nfs/dbraw/zinc/80/76/74/1008807674.db2.gz PYMZAEMLLCHOIR-XPWALMASSA-N 0 3 417.509 3.825 20 30 HHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000519511520 1008885425 /nfs/dbraw/zinc/88/54/25/1008885425.db2.gz DMSALSBZAYWHFL-OAQYLSRUSA-N 0 3 408.502 3.957 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000520085994 1009244880 /nfs/dbraw/zinc/24/48/80/1009244880.db2.gz ODIQFHWAHMAZLR-FQEVSTJZSA-N 0 3 403.448 3.967 20 30 HHEDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000546225160 1009252060 /nfs/dbraw/zinc/25/20/60/1009252060.db2.gz GHPWQQVDTOFPIZ-KNQAVFIVSA-N 0 3 408.521 3.502 20 30 HHEDHN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2CC(=O)N(CCC#N)CCC#N)c1 ZINC000544125931 1009734723 /nfs/dbraw/zinc/73/47/23/1009734723.db2.gz SQUFHSFUAFNALK-ILBGXUMGSA-N 0 3 416.525 3.882 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)CC1 ZINC000520682771 1009753166 /nfs/dbraw/zinc/75/31/66/1009753166.db2.gz ONIKZBJLJSGFCH-UHFFFAOYSA-N 0 3 415.559 3.906 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000520696664 1009763519 /nfs/dbraw/zinc/76/35/19/1009763519.db2.gz KJGDTVXJWCAQSL-UHFFFAOYSA-N 0 3 414.377 3.928 20 30 HHEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000544176170 1009780602 /nfs/dbraw/zinc/78/06/02/1009780602.db2.gz RYIGUPCUXCKGSP-LADGPHEKSA-N 0 3 406.530 3.511 20 30 HHEDHN C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC2CC2)CC1 ZINC000521277750 1010272916 /nfs/dbraw/zinc/27/29/16/1010272916.db2.gz ZEXKNIFTPFNHFL-UHFFFAOYSA-N 0 3 403.477 3.655 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)COc2ncccc2C(F)(F)F)CC1 ZINC000544663599 1010283150 /nfs/dbraw/zinc/28/31/50/1010283150.db2.gz AZWCACVEFPIBIU-UHFFFAOYSA-N 0 3 414.472 3.598 20 30 HHEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N1CCCC[C@@H]1C ZINC000521332028 1010311371 /nfs/dbraw/zinc/31/13/71/1010311371.db2.gz WUVRJTPTYGNWGA-ZWKOTPCHSA-N 0 3 420.513 3.668 20 30 HHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000551420133 1010575589 /nfs/dbraw/zinc/57/55/89/1010575589.db2.gz VIYVZEXAJSQHAA-WOJBJXKFSA-N 0 3 411.468 3.817 20 30 HHEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(C)n1Cc1ccncc1 ZINC000545170170 1010666590 /nfs/dbraw/zinc/66/65/90/1010666590.db2.gz XRQZNXUQFGZRPT-UHFFFAOYSA-N 0 3 415.541 3.624 20 30 HHEDHN N#C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000521886426 1010686445 /nfs/dbraw/zinc/68/64/45/1010686445.db2.gz WOMCAZXPMGWZOO-VQIMIIECSA-N 0 3 403.313 3.981 20 30 HHEDHN N#Cc1cccc(C2(NCC(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)CC2)c1 ZINC000551713662 1010756943 /nfs/dbraw/zinc/75/69/43/1010756943.db2.gz HYVLAWRMOZZIEE-QFIPXVFZSA-N 0 3 422.960 3.744 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000522087597 1010801654 /nfs/dbraw/zinc/80/16/54/1010801654.db2.gz KRWQWUSXVXWOPT-UHFFFAOYSA-N 0 3 421.545 3.808 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000522455102 1011023350 /nfs/dbraw/zinc/02/33/50/1011023350.db2.gz PXAXKUGWRRINMG-UHFFFAOYSA-N 0 3 419.554 3.955 20 30 HHEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(Br)c1 ZINC000522583797 1011093106 /nfs/dbraw/zinc/09/31/06/1011093106.db2.gz WDAKOSDVKWEHHZ-UHFFFAOYSA-N 0 3 416.319 3.533 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CC1 ZINC000522708049 1011170281 /nfs/dbraw/zinc/17/02/81/1011170281.db2.gz CINPEMLAEBSQKC-UHFFFAOYSA-N 0 3 411.506 3.763 20 30 HHEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000540575901 1011233092 /nfs/dbraw/zinc/23/30/92/1011233092.db2.gz XQAWWKZRZHGEEL-DYESRHJHSA-N 0 3 405.926 3.607 20 30 HHEDHN N#CCCn1cc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(-c2ccccc2)n1 ZINC000540697933 1011350524 /nfs/dbraw/zinc/35/05/24/1011350524.db2.gz KMNBILGZAYEYSD-SFHVURJKSA-N 0 3 421.451 3.637 20 30 HHEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540981210 1011615293 /nfs/dbraw/zinc/61/52/93/1011615293.db2.gz LUCBEVAJIZSDDQ-AEFFLSMTSA-N 0 3 418.476 3.840 20 30 HHEDHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105946 1011753344 /nfs/dbraw/zinc/75/33/44/1011753344.db2.gz AVTOPJPJXXWGPZ-FDDCHVKYSA-N 0 3 406.530 3.696 20 30 HHEDHN COCCN(CCc1nc2sc3c(c2c(N)n1)CCCC3)Cc1ccc(C#N)cc1 ZINC000536756952 1011948790 /nfs/dbraw/zinc/94/87/90/1011948790.db2.gz RWOORVNQHDNVKL-UHFFFAOYSA-N 0 3 421.570 3.715 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN[C@@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000541380439 1012098950 /nfs/dbraw/zinc/09/89/50/1012098950.db2.gz LCPUKQGSIPUFPH-GMAHTHKFSA-N 0 3 410.493 3.591 20 30 HHEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000552147689 1012168341 /nfs/dbraw/zinc/16/83/41/1012168341.db2.gz VSTHWDKWSSYVEB-UHFFFAOYSA-N 0 3 403.482 3.771 20 30 HHEDHN CC(C)C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537287651 1012743804 /nfs/dbraw/zinc/74/38/04/1012743804.db2.gz GMJMHYCOEXUKPY-SFTDATJTSA-N 0 3 410.587 3.834 20 30 HHEDHN Cc1cccc([C@@H](C)NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1C ZINC000537288027 1012745076 /nfs/dbraw/zinc/74/50/76/1012745076.db2.gz ZTTPKYNQMPOPMT-AUSIDOKSSA-N 0 3 408.521 3.502 20 30 HHEDHN CC[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000537289585 1012747142 /nfs/dbraw/zinc/74/71/42/1012747142.db2.gz IAZIPMRYDRRBEU-RTBURBONSA-N 0 3 416.978 3.851 20 30 HHEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553032854 1013009500 /nfs/dbraw/zinc/00/95/00/1013009500.db2.gz BGXKIEFQMQXNMC-SIKLNZKXSA-N 0 3 420.532 3.647 20 30 HHEDHN C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](NC(=O)CCOCC)c1ccnc2ccc(OC)cc21 ZINC001142525616 1072418803 /nfs/dbraw/zinc/41/88/03/1072418803.db2.gz FJBHHZSJWDVUNC-DWYHVSQESA-N 0 3 423.557 3.724 20 30 HHEDHN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCCC2)CC1 ZINC000571779899 1072852359 /nfs/dbraw/zinc/85/23/59/1072852359.db2.gz DTOOUGPSEGLBEI-UHFFFAOYSA-N 0 3 419.371 3.676 20 30 HHEDHN COc1ccc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1OCCCC#N ZINC000554886072 1072925867 /nfs/dbraw/zinc/92/58/67/1072925867.db2.gz CAFCULWNWAOODV-XMMPIXPASA-N 0 3 412.505 3.944 20 30 HHEDHN CN(C)C[C@H](NC(=O)NCCSCc1ccccc1C#N)c1ccc(F)cc1 ZINC000588257573 1072970425 /nfs/dbraw/zinc/97/04/25/1072970425.db2.gz RDNRWBTXVCPFJD-FQEVSTJZSA-N 0 3 400.523 3.533 20 30 HHEDHN N#CCCCCCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000588373465 1073051364 /nfs/dbraw/zinc/05/13/64/1073051364.db2.gz ZRGTXWWLRZADIT-UHFFFAOYSA-N 0 3 422.367 3.883 20 30 HHEDHN C=CCn1c(SC[C@H](O)CN(C)Cc2ccccc2)nnc1-c1ccccc1F ZINC000588689965 1073139701 /nfs/dbraw/zinc/13/97/01/1073139701.db2.gz UJVRVRKFNUPDMJ-GOSISDBHSA-N 0 3 412.534 3.855 20 30 HHEDHN CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)N(C)C)cc1 ZINC000588780337 1073206104 /nfs/dbraw/zinc/20/61/04/1073206104.db2.gz VSMSULCDKKLNMU-RPWUZVMVSA-N 0 3 420.557 3.733 20 30 HHEDHN CC(C)(CO)[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccnc1 ZINC000590600367 1073934251 /nfs/dbraw/zinc/93/42/51/1073934251.db2.gz LCISBMFQOZUFSQ-FQEVSTJZSA-N 0 3 412.559 3.572 20 30 HHEDHN CC(C)(CO)[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccnc1 ZINC000590600369 1073934258 /nfs/dbraw/zinc/93/42/58/1073934258.db2.gz LCISBMFQOZUFSQ-HXUWFJFHSA-N 0 3 412.559 3.572 20 30 HHEDHN N#Cc1cc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc(N)c1[N+](=O)[O-] ZINC000555901556 1073951365 /nfs/dbraw/zinc/95/13/65/1073951365.db2.gz YCZZNRTVLNHKIF-UHFFFAOYSA-N 0 3 419.407 3.780 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]3c4ccccc4CC34CCOCC4)C2=O)cc1 ZINC000573023644 1074062214 /nfs/dbraw/zinc/06/22/14/1074062214.db2.gz YSODNEVTBDKEJQ-GOTSBHOMSA-N 0 3 401.510 3.737 20 30 HHEDHN COc1ccc(COCCCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000760966619 1074741302 /nfs/dbraw/zinc/74/13/02/1074741302.db2.gz VHRXXMCLTXWVRJ-IBGZPJMESA-N 0 3 400.862 3.993 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 ZINC000592526825 1074781331 /nfs/dbraw/zinc/78/13/31/1074781331.db2.gz JOLKMFVDEAWZCT-UHFFFAOYSA-N 0 3 410.493 3.528 20 30 HHEDHN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H]4NCCO[C@H]4C3)cc2c1Cl ZINC001164390119 718826914 /nfs/dbraw/zinc/82/69/14/718826914.db2.gz MULOCYTYWNJVLZ-CABCVRRESA-N 0 3 413.255 3.525 20 30 HHEDHN Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164759425 721250813 /nfs/dbraw/zinc/25/08/13/721250813.db2.gz AEDHSTPTBNUPLZ-MSOLQXFVSA-N 0 3 420.948 3.760 20 30 HHEDHN N#Cc1ccc(CN2CCCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2)cc1 ZINC000301173101 970787144 /nfs/dbraw/zinc/78/71/44/970787144.db2.gz GZMROQNINLXLLT-UHFFFAOYSA-N 0 3 410.525 3.611 20 30 HHEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000303060626 971482487 /nfs/dbraw/zinc/48/24/87/971482487.db2.gz LUDKZSJFCDSSHL-NRFANRHFSA-N 0 3 411.343 4.000 20 30 HHEDHN C=CCN1CCC(NC(=O)NCC2(c3cccc(Br)c3)CCC2)CC1 ZINC000303312265 971621174 /nfs/dbraw/zinc/62/11/74/971621174.db2.gz PIXWTKYFUSGOIA-UHFFFAOYSA-N 0 3 406.368 3.820 20 30 HHEDHN C=CCNC(=O)c1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000303856617 972397611 /nfs/dbraw/zinc/39/76/11/972397611.db2.gz LQMQIVSGOTYDSM-IBGZPJMESA-N 0 3 406.530 3.731 20 30 HHEDHN N#Cc1ccccc1OCCN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000303913316 972486299 /nfs/dbraw/zinc/48/62/99/972486299.db2.gz SBPNLECAXFHIOW-UHFFFAOYSA-N 0 3 403.526 3.840 20 30 HHEDHN Cc1ccc(CN2CCCN(C(=O)CN(Cc3ccc(C#N)cc3)C3CC3)CC2)cc1 ZINC000542243640 1013202141 /nfs/dbraw/zinc/20/21/41/1013202141.db2.gz TYDLKDDJRQOVGO-UHFFFAOYSA-N 0 3 416.569 3.566 20 30 HHEDHN CCN1CCCC[C@@H]1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553290006 1013246751 /nfs/dbraw/zinc/24/67/51/1013246751.db2.gz XTFMPTKIGYMLFG-LJQANCHMSA-N 0 3 402.970 3.809 20 30 HHEDHN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN[C@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000542308478 1013266546 /nfs/dbraw/zinc/26/65/46/1013266546.db2.gz DIPPXUCARAPTGZ-LADGPHEKSA-N 0 3 424.520 3.650 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000553334496 1013281581 /nfs/dbraw/zinc/28/15/81/1013281581.db2.gz PNBAXDAYDCJEJS-GBXCKJPGSA-N 0 3 407.514 3.699 20 30 HHEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(-n2cccn2)cc1 ZINC000553364102 1013303989 /nfs/dbraw/zinc/30/39/89/1013303989.db2.gz FBZDCXFAPGQZGU-MSOLQXFVSA-N 0 3 405.477 3.997 20 30 HHEDHN COCCn1ccc2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc21 ZINC000537798834 1013358863 /nfs/dbraw/zinc/35/88/63/1013358863.db2.gz PFGTYFQUKOLMSQ-UHFFFAOYSA-N 0 3 419.529 3.755 20 30 HHEDHN C=CCOc1c(Br)cc(CNC[C@@H]2COc3ccccc3O2)cc1OC ZINC000025261609 964220749 /nfs/dbraw/zinc/22/07/49/964220749.db2.gz QLPDKKKRMTWPGU-OAHLLOKOSA-N 0 3 420.303 3.952 20 30 HHEDHN CC(C)Oc1ccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)N(C)C)cc1 ZINC000553670972 1013536920 /nfs/dbraw/zinc/53/69/20/1013536920.db2.gz PGAOHNFNSKRQJT-QFIPXVFZSA-N 0 3 411.571 3.998 20 30 HHEDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000537984525 1013559530 /nfs/dbraw/zinc/55/95/30/1013559530.db2.gz XXURIECWUBYWJX-AWEZNQCLSA-N 0 3 405.376 3.972 20 30 HHEDHN N#Cc1cccnc1NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000029172877 965296111 /nfs/dbraw/zinc/29/61/11/965296111.db2.gz GSOSLRCSSJNPHM-UHFFFAOYSA-N 0 3 403.452 3.986 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1C(F)(F)F ZINC000054650635 965595865 /nfs/dbraw/zinc/59/58/65/965595865.db2.gz YGYBNFBWJWOPMD-UHFFFAOYSA-N 0 3 418.463 3.893 20 30 HHEDHN C=CCOc1c(Br)cc(CN2CCC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542691237 1013610204 /nfs/dbraw/zinc/61/02/04/1013610204.db2.gz FPUUTOFHJYQLDS-HNNXBMFYSA-N 0 3 421.339 3.829 20 30 HHEDHN COc1ccc(C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000060576757 966213080 /nfs/dbraw/zinc/21/30/80/966213080.db2.gz LMDHBQRVOKPJJP-UHFFFAOYSA-N 0 3 408.546 3.618 20 30 HHEDHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000060689220 966260185 /nfs/dbraw/zinc/26/01/85/966260185.db2.gz GMBWGNAXUILESF-UHFFFAOYSA-N 0 3 420.513 3.622 20 30 HHEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000041497807 966581481 /nfs/dbraw/zinc/58/14/81/966581481.db2.gz STXBYUFBCGUTJG-ZDUSSCGKSA-N 0 3 417.494 3.859 20 30 HHEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c2cccnc12)C(C)C ZINC000041855836 966651598 /nfs/dbraw/zinc/65/15/98/966651598.db2.gz OYQLBJGCWDNFEK-LJQANCHMSA-N 0 3 414.937 3.642 20 30 HHEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCN(CC3CCCCC3)CC2)cc1 ZINC000064129458 967059779 /nfs/dbraw/zinc/05/97/79/967059779.db2.gz RLYFBKLBFBHODG-UHFFFAOYSA-N 0 3 412.578 3.530 20 30 HHEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000064237110 967100569 /nfs/dbraw/zinc/10/05/69/967100569.db2.gz JRANOBLCZIAWQF-DEOSSOPVSA-N 0 3 420.557 3.862 20 30 HHEDHN COc1ccc(CC[C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000065485151 967491999 /nfs/dbraw/zinc/49/19/99/967491999.db2.gz SZEMHGXVJZFYAE-LJQANCHMSA-N 0 3 408.546 3.661 20 30 HHEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1ccc(C)cc1 ZINC000047010215 968030562 /nfs/dbraw/zinc/03/05/62/968030562.db2.gz BVXCLXPUQIWFPD-UHFFFAOYSA-N 0 3 401.514 3.565 20 30 HHEDHN C[C@@H](N[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542937638 1013771532 /nfs/dbraw/zinc/77/15/32/1013771532.db2.gz YMNPREWLHUDBJT-KGLIPLIRSA-N 0 3 418.419 3.652 20 30 HHEDHN CN(C)Cc1cccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000047538239 968227051 /nfs/dbraw/zinc/22/70/51/968227051.db2.gz ZRXDQDDNIMAKHV-UHFFFAOYSA-N 0 3 419.485 3.723 20 30 HHEDHN COc1ccc(CN2CC[C@@H](N[C@@H]3CCCCc4cc(C#N)ccc43)C2=O)c(OC)c1 ZINC000554078843 1013788977 /nfs/dbraw/zinc/78/89/77/1013788977.db2.gz NNEITEHVXHMHQX-DHIUTWEWSA-N 0 3 419.525 3.734 20 30 HHEDHN CC1CCN([C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)CC1 ZINC000065876260 968695803 /nfs/dbraw/zinc/69/58/03/968695803.db2.gz QVJVYTPMTDDHDJ-OAQYLSRUSA-N 0 3 424.932 3.740 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)Nc3ccc(F)cc3C#N)CC2)c1 ZINC000097473312 969141292 /nfs/dbraw/zinc/14/12/92/969141292.db2.gz GUBKFFQFGQUEPL-UHFFFAOYSA-N 0 3 409.509 3.730 20 30 HHEDHN C=CCc1ccc(OCC(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)c(OC)c1 ZINC000106189089 969298875 /nfs/dbraw/zinc/29/88/75/969298875.db2.gz TZGDWJSAHBUYGA-UHFFFAOYSA-N 0 3 423.557 3.579 20 30 HHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111039754 969764411 /nfs/dbraw/zinc/76/44/11/969764411.db2.gz NQBPOMRYTZIPEY-INIZCTEOSA-N 0 3 405.477 3.979 20 30 HHEDHN CC(C)N1CCN(c2ccc(C(=O)NCCSCc3ccccc3C#N)cc2)CC1 ZINC000195700662 969966994 /nfs/dbraw/zinc/96/69/94/969966994.db2.gz XZPQDYYGBHIGNX-UHFFFAOYSA-N 0 3 422.598 3.752 20 30 HHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCOCc2ccccc2)cc1Cl ZINC000140368889 970074290 /nfs/dbraw/zinc/07/42/90/970074290.db2.gz ZNKJMBHOBREZAY-KRWDZBQOSA-N 0 3 400.862 3.993 20 30 HHEDHN N#CC(C(=O)CCCOc1ccccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000140391693 970075167 /nfs/dbraw/zinc/07/51/67/970075167.db2.gz FQDKNMPJYAVWBE-HNNXBMFYSA-N 0 3 414.845 3.618 20 30 HHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237022167 970209000 /nfs/dbraw/zinc/20/90/00/970209000.db2.gz XLOUDXKITPCCII-FQEVSTJZSA-N 0 3 405.458 3.966 20 30 HHEDHN C=CCc1cc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc(OC)c1O ZINC000237239822 970246943 /nfs/dbraw/zinc/24/69/43/970246943.db2.gz BPZJLLUINUXJIE-QZTJIDSGSA-N 0 3 424.541 3.669 20 30 HHEDHN C=CCc1cc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc(OC)c1O ZINC000237240216 970247149 /nfs/dbraw/zinc/24/71/49/970247149.db2.gz BPZJLLUINUXJIE-HDICACEKSA-N 0 3 424.541 3.669 20 30 HHEDHN N#CCCn1cc(CNCc2ccc(N3CCOCC3)cc2)c(-c2ccccc2)n1 ZINC000237832001 970377710 /nfs/dbraw/zinc/37/77/10/970377710.db2.gz HKAZRCINLHQELE-UHFFFAOYSA-N 0 3 401.514 3.590 20 30 HHEDHN CN(C)Cc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000150239900 970436896 /nfs/dbraw/zinc/43/68/96/970436896.db2.gz PNKGVHADYMDBHF-UHFFFAOYSA-N 0 3 418.457 3.686 20 30 HHEDHN CC[C@H](C)NC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000195613025 970556684 /nfs/dbraw/zinc/55/66/84/970556684.db2.gz ZGAUARKHEDNOIJ-SFHVURJKSA-N 0 3 421.545 3.682 20 30 HHEDHN C#CCOc1ccc(Br)cc1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000326586770 972744443 /nfs/dbraw/zinc/74/44/43/972744443.db2.gz BWDGDSDPLXANEZ-SFHVURJKSA-N 0 3 403.320 3.981 20 30 HHEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000426243121 974338415 /nfs/dbraw/zinc/33/84/15/974338415.db2.gz ZAPMJLNWDGCWTQ-LJQANCHMSA-N 0 3 418.541 3.620 20 30 HHEDHN N#Cc1c(F)cccc1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000427450141 975125087 /nfs/dbraw/zinc/12/50/87/975125087.db2.gz RKLZNNJUPDFRCL-UHFFFAOYSA-N 0 3 401.869 3.624 20 30 HHEDHN N#Cc1ccc(O[C@@H]2CCN(CCC(=O)Nc3c(Cl)cccc3Cl)C2)nc1 ZINC000428793681 976069754 /nfs/dbraw/zinc/06/97/54/976069754.db2.gz LDKWRGBKOSESSK-CQSZACIVSA-N 0 3 405.285 3.742 20 30 HHEDHN Cc1ccc([C@@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)N(C)C)cc1 ZINC000429640326 976931231 /nfs/dbraw/zinc/93/12/31/976931231.db2.gz MRPQURLGNHIUCA-JOCHJYFZSA-N 0 3 401.514 3.805 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000429690694 976983080 /nfs/dbraw/zinc/98/30/80/976983080.db2.gz JTDPLMPFMYQLOC-UHFFFAOYSA-N 0 3 423.439 3.602 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)CC1 ZINC000431038650 977970658 /nfs/dbraw/zinc/97/06/58/977970658.db2.gz UDGKRTYXQBXWKB-UHFFFAOYSA-N 0 3 417.351 3.714 20 30 HHEDHN N#CCCC[C@@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000433019232 979043737 /nfs/dbraw/zinc/04/37/37/979043737.db2.gz MFUFXMGNJGUNRL-LJQANCHMSA-N 0 3 422.485 3.521 20 30 HHEDHN N#Cc1ccc(CNC(=O)CN2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000433294662 979220925 /nfs/dbraw/zinc/22/09/25/979220925.db2.gz NBXYDCAZNCINQR-IBGZPJMESA-N 0 3 412.331 3.502 20 30 HHEDHN CCOC(=O)CC1(NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCCC1 ZINC000434611308 980292382 /nfs/dbraw/zinc/29/23/82/980292382.db2.gz FTEVMNSYJBBKGX-UHFFFAOYSA-N 0 3 405.926 3.751 20 30 HHEDHN COc1cc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000434710407 980349057 /nfs/dbraw/zinc/34/90/57/980349057.db2.gz XRVBBFOGCFYUIF-BGYRXZFFSA-N 0 3 423.557 3.687 20 30 HHEDHN Cc1c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000435537085 980927696 /nfs/dbraw/zinc/92/76/96/980927696.db2.gz NNAZKUCHIAJEIT-UHFFFAOYSA-N 0 3 402.502 3.648 20 30 HHEDHN C=C(C)Cn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1C(C)(C)c1ccccc1 ZINC000460930463 982668571 /nfs/dbraw/zinc/66/85/71/982668571.db2.gz IHWZLONFQKPMLH-HXUWFJFHSA-N 0 3 423.605 3.870 20 30 HHEDHN CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438661518 982979367 /nfs/dbraw/zinc/97/93/67/982979367.db2.gz SIPBNLOLYSFKLU-LPHOPBHVSA-N 0 3 424.932 3.834 20 30 HHEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000439231430 983321168 /nfs/dbraw/zinc/32/11/68/983321168.db2.gz CERWZUABRGEDGN-GOSISDBHSA-N 0 3 417.962 3.744 20 30 HHEDHN Cc1cccc(N2CCN(CCCCNC(=O)NCC3CCC(C#N)CC3)CC2)c1 ZINC000440991574 984014582 /nfs/dbraw/zinc/01/45/82/984014582.db2.gz RFTWLHSQEFZWSA-UHFFFAOYSA-N 0 3 411.594 3.526 20 30 HHEDHN Cc1cccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1C#N ZINC000441976238 984576181 /nfs/dbraw/zinc/57/61/81/984576181.db2.gz LKPGKUNAZPRFEV-HSZRJFAPSA-N 0 3 409.555 3.544 20 30 HHEDHN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000443089255 985369442 /nfs/dbraw/zinc/36/94/42/985369442.db2.gz CXJQUGABMHGKLJ-UHFFFAOYSA-N 0 3 423.460 3.651 20 30 HHEDHN COc1cc(CN2CCC[C@H](Cn3ccnn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000443594613 985770570 /nfs/dbraw/zinc/77/05/70/985770570.db2.gz RJKSBWSSAHZEET-QFIPXVFZSA-N 0 3 417.513 3.650 20 30 HHEDHN CN(CCNC(=O)C1CCN(c2c(Cl)cccc2C#N)CC1)Cc1ccccc1 ZINC000462912974 985844471 /nfs/dbraw/zinc/84/44/71/985844471.db2.gz XORFQQGQXGNXAH-UHFFFAOYSA-N 0 3 410.949 3.676 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)O1 ZINC000443674049 985880964 /nfs/dbraw/zinc/88/09/64/985880964.db2.gz KLCBQTFZEDKHGN-WOJBJXKFSA-N 0 3 421.541 3.756 20 30 HHEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000443675358 985884091 /nfs/dbraw/zinc/88/40/91/985884091.db2.gz QXRKDYWVSYFODA-RTBURBONSA-N 0 3 406.530 3.921 20 30 HHEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000443836246 986034321 /nfs/dbraw/zinc/03/43/21/986034321.db2.gz GSWQNOLEBDUAQU-DYESRHJHSA-N 0 3 406.530 3.542 20 30 HHEDHN N#CCCN(C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1 ZINC000463214342 986186506 /nfs/dbraw/zinc/18/65/06/986186506.db2.gz PKUFGKRJOVQGSO-HBMCJLEFSA-N 0 3 403.954 3.992 20 30 HHEDHN CC(C)n1cc(Br)cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000463483963 986459807 /nfs/dbraw/zinc/45/98/07/986459807.db2.gz BLYRRXZCPOJROZ-UHFFFAOYSA-N 0 3 417.351 3.907 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463506349 986481644 /nfs/dbraw/zinc/48/16/44/986481644.db2.gz JNOBVMAADDAIQS-ROUUACIJSA-N 0 3 401.432 3.669 20 30 HHEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468771073 986483995 /nfs/dbraw/zinc/48/39/95/986483995.db2.gz ASRVECWEUHLVOJ-UHFFFAOYSA-N 0 3 410.424 3.695 20 30 HHEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000444459247 986641854 /nfs/dbraw/zinc/64/18/54/986641854.db2.gz TZXOGUIBDQDJAC-HNNXBMFYSA-N 0 3 417.446 3.805 20 30 HHEDHN N#CC(CCN1CCC(N2CCCNC2=O)CC1)(c1ccccc1)c1ccccc1 ZINC000444656598 986836946 /nfs/dbraw/zinc/83/69/46/986836946.db2.gz GYRMUTXRNUHQJO-UHFFFAOYSA-N 0 3 402.542 3.766 20 30 HHEDHN CN1CCN(CCCNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000469982910 987599449 /nfs/dbraw/zinc/59/94/49/987599449.db2.gz FLCQEFQACRCALF-HSZRJFAPSA-N 0 3 404.558 3.596 20 30 HHEDHN CCN(CC(=O)Nc1ccccc1SCC#N)CC1CCN(c2ccccn2)CC1 ZINC000464810927 989045046 /nfs/dbraw/zinc/04/50/46/989045046.db2.gz PZNCYMDYTMQCMV-UHFFFAOYSA-N 0 3 423.586 3.874 20 30 HHEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000466520965 991813353 /nfs/dbraw/zinc/81/33/53/991813353.db2.gz VJWRETUTPCBJQP-DENIHFKCSA-N 0 3 418.541 3.774 20 30 HHEDHN CC(C)[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCc2ccccc2C1 ZINC000466593540 991909263 /nfs/dbraw/zinc/90/92/63/991909263.db2.gz QVRAXERODXOWIH-OAQYLSRUSA-N 0 3 421.545 3.969 20 30 HHEDHN Cc1ccc(-c2nc(CNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)co2)cc1 ZINC000466765320 992072842 /nfs/dbraw/zinc/07/28/42/992072842.db2.gz JTTQMZJRNNZGAI-UHFFFAOYSA-N 0 3 417.513 3.795 20 30 HHEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000466932807 992244332 /nfs/dbraw/zinc/24/43/32/992244332.db2.gz CXORULRFKSOXKC-FZKQIMNGSA-N 0 3 410.331 3.769 20 30 HHEDHN C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1)c1ccccc1 ZINC000473415906 994268161 /nfs/dbraw/zinc/26/81/61/994268161.db2.gz QXMLBZIDXVCLPA-HSZRJFAPSA-N 0 3 420.557 3.591 20 30 HHEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H]2CCCO[C@H]2CC(C)C)c1C#N ZINC000481759339 994612169 /nfs/dbraw/zinc/61/21/69/994612169.db2.gz GFBQXSJYCYPMPE-SFTDATJTSA-N 0 3 412.534 3.740 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)NCCN2[C@H](C)CCC[C@H]2C)nnc1-c1ccco1 ZINC000481759970 994612411 /nfs/dbraw/zinc/61/24/11/994612411.db2.gz ISTCFNZICBJELG-IAGOWNOFSA-N 0 3 417.579 3.585 20 30 HHEDHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000473727729 994622469 /nfs/dbraw/zinc/62/24/69/994622469.db2.gz XZVPIIJETHHDKA-UHFFFAOYSA-N 0 3 404.558 3.624 20 30 HHEDHN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1 ZINC000473805037 994731511 /nfs/dbraw/zinc/73/15/11/994731511.db2.gz HDCQENIILNDHFG-UHFFFAOYSA-N 0 3 422.533 3.780 20 30 HHEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000474209992 995205244 /nfs/dbraw/zinc/20/52/44/995205244.db2.gz KOPCDCHPZFGGFC-HSZRJFAPSA-N 0 3 409.555 3.544 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N(CCc2ccccn2)Cc2ccc(OC)cc2)CC1 ZINC000474327306 995309675 /nfs/dbraw/zinc/30/96/75/995309675.db2.gz COIAYVDEZORARL-UHFFFAOYSA-N 0 3 422.573 3.885 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000482469694 995473729 /nfs/dbraw/zinc/47/37/29/995473729.db2.gz UFRFZJPWOBBKOF-AWEZNQCLSA-N 0 3 412.347 3.859 20 30 HHEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000482932848 995862096 /nfs/dbraw/zinc/86/20/96/995862096.db2.gz PBQCEYILOWDSAG-NSHGMRRFSA-N 0 3 415.607 3.571 20 30 HHEDHN CN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475140644 995949248 /nfs/dbraw/zinc/94/92/48/995949248.db2.gz SXXNCFQSEHBJMH-OAQYLSRUSA-N 0 3 415.459 3.973 20 30 HHEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(CC2CCC2)[C@H](C)CO)c1C#N ZINC000483167591 996014104 /nfs/dbraw/zinc/01/41/04/996014104.db2.gz JCMODGGGSZDKPU-OAHLLOKOSA-N 0 3 412.509 3.526 20 30 HHEDHN N#CC(C(=O)c1ccc(I)c(F)c1)c1cnc2ccccc2n1 ZINC000483203119 996035636 /nfs/dbraw/zinc/03/56/36/996035636.db2.gz RERKDIFSOPXART-LLVKDONJSA-N 0 3 417.181 3.864 20 30 HHEDHN N#CC1(c2ccccc2)CCC(N[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000475424737 996129580 /nfs/dbraw/zinc/12/95/80/996129580.db2.gz PIJFERFSGKXGRS-SCCNAQOGSA-N 0 3 412.331 3.969 20 30 HHEDHN CC(C)OCCN1CCC(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000475600462 996240678 /nfs/dbraw/zinc/24/06/78/996240678.db2.gz KMFFZTPMMRGQHY-KRWDZBQOSA-N 0 3 404.580 3.949 20 30 HHEDHN N#CC[C@H](CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)c1ccccc1 ZINC000476099092 996595384 /nfs/dbraw/zinc/59/53/84/996595384.db2.gz ZCEXLCPXXBQWLU-HXUWFJFHSA-N 0 3 409.505 3.873 20 30 HHEDHN CC(C)[C@@](C)(NCC(=O)N(CCC#N)CCC#N)c1ccc(Br)cc1 ZINC000484333642 996710143 /nfs/dbraw/zinc/71/01/43/996710143.db2.gz UCIWSRLJBKSFTJ-LJQANCHMSA-N 0 3 405.340 3.566 20 30 HHEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476315173 996749937 /nfs/dbraw/zinc/74/99/37/996749937.db2.gz RCIUUZNIPGWOOA-LJQANCHMSA-N 0 3 417.962 3.744 20 30 HHEDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000477068944 997716504 /nfs/dbraw/zinc/71/65/04/997716504.db2.gz KERBISIYRRYXMW-POXGOYDTSA-N 0 3 415.584 3.867 20 30 HHEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCN(C3CCCCC3)CC2)c1C#N ZINC000486243137 998671374 /nfs/dbraw/zinc/67/13/74/998671374.db2.gz JFEGWPITTQDUBO-UHFFFAOYSA-N 0 3 411.594 3.981 20 30 HHEDHN CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)Cc1ccccc1 ZINC000487900113 999309624 /nfs/dbraw/zinc/30/96/24/999309624.db2.gz SIUUVIJZVISLSI-QGZVFWFLSA-N 0 3 401.308 3.615 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](O)Cc1cccc(Cl)c1 ZINC000488087498 999372072 /nfs/dbraw/zinc/37/20/72/999372072.db2.gz LYYOUNIWQFAYLL-IBGZPJMESA-N 0 3 421.010 3.842 20 30 HHEDHN C=CCN1CCC(NC(=O)Nc2cc(Br)ccc2N2CCCC2)CC1 ZINC000479322442 999384918 /nfs/dbraw/zinc/38/49/18/999384918.db2.gz PMLCOAGRJKZQDO-UHFFFAOYSA-N 0 3 407.356 3.821 20 30 HHEDHN Cc1cc(Br)ccc1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000488454592 999491530 /nfs/dbraw/zinc/49/15/30/999491530.db2.gz ADVWXJFEYWGCJH-UHFFFAOYSA-N 0 3 414.347 3.762 20 30 HHEDHN CC(C)NC(=O)Nc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488461290 999494007 /nfs/dbraw/zinc/49/40/07/999494007.db2.gz INZICGRBFNQBBC-JTSKRJEESA-N 0 3 419.529 3.540 20 30 HHEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479687444 999537762 /nfs/dbraw/zinc/53/77/62/999537762.db2.gz FGESCPKVVNKIKE-HXUWFJFHSA-N 0 3 409.555 3.892 20 30 HHEDHN C=CC[C@H](C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000488687851 999573176 /nfs/dbraw/zinc/57/31/76/999573176.db2.gz GOKWLHIGTIHOPC-VWNXMTODSA-N 0 3 418.585 3.802 20 30 HHEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccco1 ZINC000480270204 999760330 /nfs/dbraw/zinc/76/03/30/999760330.db2.gz MXSLIZNTGCGNGZ-YOEHRIQHSA-N 0 3 410.453 3.727 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)Nc2cccc(CN(C)C)c2)nnc1-c1ccco1 ZINC000480324643 999771592 /nfs/dbraw/zinc/77/15/92/999771592.db2.gz IVBKIRHYUQBOPW-UHFFFAOYSA-N 0 3 411.531 3.907 20 30 HHEDHN CC[C@H](C)[C@@H](NCc1cc(C#N)n(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000480394719 999788700 /nfs/dbraw/zinc/78/87/00/999788700.db2.gz OWSWZNPUPFKPLX-YADARESESA-N 0 3 406.574 3.882 20 30 HHEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000489786019 999838156 /nfs/dbraw/zinc/83/81/56/999838156.db2.gz ZUBCKKGRZKHGDN-UHFFFAOYSA-N 0 3 422.529 3.624 20 30 HHEDHN COC(=O)CCCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000490546503 999975434 /nfs/dbraw/zinc/97/54/34/999975434.db2.gz PFZMHUYKOOSKIT-UHFFFAOYSA-N 0 3 402.498 3.914 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)cc(I)c2)CC1 ZINC000490573495 999979273 /nfs/dbraw/zinc/97/92/73/999979273.db2.gz YYOLTSMRYFNYAE-UHFFFAOYSA-N 0 3 413.303 3.762 20 30 HHEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H](c3ccc4c(c3)OCCO4)C3CC3)C2=O)cc1 ZINC000492971409 1000151678 /nfs/dbraw/zinc/15/16/78/1000151678.db2.gz FTHDFKYFINPCNC-NZQKXSOJSA-N 0 3 403.482 3.566 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000493806251 1000194560 /nfs/dbraw/zinc/19/45/60/1000194560.db2.gz FHQZQHHURYPDOF-GOSISDBHSA-N 0 3 400.350 3.757 20 30 HHEDHN CC[C@@H](CNC(=O)CCCOc1ccc(C#N)cc1OC)N1CCc2ccccc2C1 ZINC000493864777 1000198827 /nfs/dbraw/zinc/19/88/27/1000198827.db2.gz SFOFPUUNAOWWJO-QFIPXVFZSA-N 0 3 421.541 3.679 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000494105088 1000310343 /nfs/dbraw/zinc/31/03/43/1000310343.db2.gz HSSPENZZLNFLFT-UHFFFAOYSA-N 0 3 422.476 3.812 20 30 HHEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000494793735 1000659877 /nfs/dbraw/zinc/65/98/77/1000659877.db2.gz WAMGRUNPBVJAMG-CEXWTWQISA-N 0 3 412.578 3.867 20 30 HHEDHN C[C@@H]1CN(c2ccc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)cn2)C[C@H](C)O1 ZINC000505328863 1000704984 /nfs/dbraw/zinc/70/49/84/1000704984.db2.gz KGIMVQAOBVSGOH-DVOMOZLQSA-N 0 3 404.392 3.599 20 30 HHEDHN CC(C)(C)OC(=O)[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495082240 1000818268 /nfs/dbraw/zinc/81/82/68/1000818268.db2.gz WUODOPOWRWMIMU-HNNXBMFYSA-N 0 3 417.575 3.881 20 30 HHEDHN C=CCOc1ccc(CNC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000505750894 1001005906 /nfs/dbraw/zinc/00/59/06/1001005906.db2.gz NSQLAQWHYSFCEM-QHCPKHFHSA-N 0 3 409.530 3.896 20 30 HHEDHN N#Cc1ccc(N2CCC(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC2)c(F)c1 ZINC000506022105 1001168773 /nfs/dbraw/zinc/16/87/73/1001168773.db2.gz QQMLZOGTNSCARW-DEOSSOPVSA-N 0 3 420.532 3.867 20 30 HHEDHN N#Cc1cnc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c(Cl)c1 ZINC000496802598 1001230271 /nfs/dbraw/zinc/23/02/71/1001230271.db2.gz JAJRCQAYHKFXGG-UHFFFAOYSA-N 0 3 403.313 3.998 20 30 HHEDHN Cc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)nn1-c1cccc(C#N)c1 ZINC000506173727 1001259986 /nfs/dbraw/zinc/25/99/86/1001259986.db2.gz NOJGTJLEGWIXLI-DEOSSOPVSA-N 0 3 413.525 3.928 20 30 HHEDHN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000498381219 1001810769 /nfs/dbraw/zinc/81/07/69/1001810769.db2.gz YBMKRFJFCRNZIR-GOSISDBHSA-N 0 3 418.545 3.786 20 30 HHEDHN C[C@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000507284502 1001968825 /nfs/dbraw/zinc/96/88/25/1001968825.db2.gz OFJPTQCLPIUHKG-KBPBESRZSA-N 0 3 417.497 3.612 20 30 HHEDHN Cc1cccc(NC(=O)C[C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000507401734 1002050342 /nfs/dbraw/zinc/05/03/42/1002050342.db2.gz LOQDXGZJLUZAQZ-VGOFRKELSA-N 0 3 404.514 3.677 20 30 HHEDHN N#Cc1ccc(OC2CCN(C[C@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000507787469 1002344068 /nfs/dbraw/zinc/34/40/68/1002344068.db2.gz FQVVODVNQVHJCN-NRFANRHFSA-N 0 3 402.494 3.995 20 30 HHEDHN COc1ccc(C[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c2ccc(OC)cc2)cc1 ZINC000499047524 1002428793 /nfs/dbraw/zinc/42/87/93/1002428793.db2.gz HIAQZQWFJUOXPF-LADGPHEKSA-N 0 3 409.530 3.632 20 30 HHEDHN CCN1CCN(Cc2ccc(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)CC1 ZINC000508083808 1002604995 /nfs/dbraw/zinc/60/49/95/1002604995.db2.gz CHISAVLSXYMUFT-UHFFFAOYSA-N 0 3 422.577 3.574 20 30 HHEDHN Cc1ccc([C@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)N(C)C)cc1 ZINC000508706308 1003143797 /nfs/dbraw/zinc/14/37/97/1003143797.db2.gz JQZPZSRYUMIFRV-QHCPKHFHSA-N 0 3 408.521 3.641 20 30 HHEDHN C=CCn1c(CCC2CCCCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000508846112 1003267026 /nfs/dbraw/zinc/26/70/26/1003267026.db2.gz QHONVVXWQOLOHW-UHFFFAOYSA-N 0 3 401.599 3.526 20 30 HHEDHN C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000508858298 1003277948 /nfs/dbraw/zinc/27/79/48/1003277948.db2.gz RFHGUCRNCBLLEH-FQEVSTJZSA-N 0 3 418.545 3.736 20 30 HHEDHN C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(CC(C)C)CC1 ZINC000508870629 1003291216 /nfs/dbraw/zinc/29/12/16/1003291216.db2.gz ASUKWOBUDYQIHX-UHFFFAOYSA-N 0 3 401.580 3.543 20 30 HHEDHN C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508876056 1003295637 /nfs/dbraw/zinc/29/56/37/1003295637.db2.gz WNSGKYLFFPVIIC-BGYRXZFFSA-N 0 3 424.593 3.550 20 30 HHEDHN C=CCn1c(N2CCN(C3CCCC3)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000508905723 1003343544 /nfs/dbraw/zinc/34/35/44/1003343544.db2.gz AKKBVYUXYVNQCL-UHFFFAOYSA-N 0 3 403.477 3.657 20 30 HHEDHN C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000508917685 1003356171 /nfs/dbraw/zinc/35/61/71/1003356171.db2.gz KIIJZUZFKWTEFC-JOCHJYFZSA-N 0 3 409.578 3.555 20 30 HHEDHN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000509001001 1003472729 /nfs/dbraw/zinc/47/27/29/1003472729.db2.gz VHQBBSNJTRWGOR-UHFFFAOYSA-N 0 3 416.485 3.608 20 30 HHEDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000509382279 1003811469 /nfs/dbraw/zinc/81/14/69/1003811469.db2.gz HIZYYMHNFGNGBV-NRFANRHFSA-N 0 3 424.545 3.800 20 30 HHEDHN N#Cc1cc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cnc1C(F)(F)F ZINC000509984182 1004247080 /nfs/dbraw/zinc/24/70/80/1004247080.db2.gz SMCNNPWBWXRHBO-UHFFFAOYSA-N 0 3 420.357 3.507 20 30 HHEDHN C=CCc1cc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc(OC)c1O ZINC000512677727 1004486048 /nfs/dbraw/zinc/48/60/48/1004486048.db2.gz LMMBPIYPBGKVOW-UHFFFAOYSA-N 0 3 408.542 3.966 20 30 HHEDHN CCc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c2c(n1)onc2C(C)C ZINC000510472035 1004589196 /nfs/dbraw/zinc/58/91/96/1004589196.db2.gz CUKOGRCMXUMYHJ-UHFFFAOYSA-N 0 3 419.529 3.984 20 30 HHEDHN COC(=O)COc1c(C)cc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1C ZINC000510524236 1004651576 /nfs/dbraw/zinc/65/15/76/1004651576.db2.gz WSWRBRXYAFMLLO-UHFFFAOYSA-N 0 3 408.498 3.770 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000510560364 1004703542 /nfs/dbraw/zinc/70/35/42/1004703542.db2.gz RCVWVPYGZXYVEC-OAQYLSRUSA-N 0 3 419.554 3.878 20 30 HHEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000513087818 1004798874 /nfs/dbraw/zinc/79/88/74/1004798874.db2.gz GOUSNTGDONHTBS-SFHVURJKSA-N 0 3 418.476 3.669 20 30 HHEDHN CCc1ccc([C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)N(C)C)cc1 ZINC000513109405 1004811518 /nfs/dbraw/zinc/81/15/18/1004811518.db2.gz YNXNJBPDBULXHN-OAQYLSRUSA-N 0 3 420.492 3.870 20 30 HHEDHN C=CCOc1cccc(CNCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1 ZINC000513125879 1004820899 /nfs/dbraw/zinc/82/08/99/1004820899.db2.gz LDVRTEFKRRSNQZ-IBGZPJMESA-N 0 3 414.571 3.962 20 30 HHEDHN Cc1nc(SCC(=O)NC[C@H]2CCCN2Cc2ccccc2)c(C#N)c(C)c1C ZINC000513227893 1004870861 /nfs/dbraw/zinc/87/08/61/1004870861.db2.gz SJTUUXLOYNQPMP-HXUWFJFHSA-N 0 3 408.571 3.751 20 30 HHEDHN Cc1nc(SCC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c(C#N)c(C)c1C ZINC000513227892 1004870940 /nfs/dbraw/zinc/87/09/40/1004870940.db2.gz SJTUUXLOYNQPMP-FQEVSTJZSA-N 0 3 408.571 3.751 20 30 HHEDHN C=CCOc1ccc(CN2CCC(CC(=O)N3CCN(CC)CC3)CC2)cc1Cl ZINC000513679754 1005079171 /nfs/dbraw/zinc/07/91/71/1005079171.db2.gz ZOGYPOPWQXNJRF-UHFFFAOYSA-N 0 3 419.997 3.671 20 30 HHEDHN C[C@@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H](c1ccccc1)N(C)C ZINC000502677381 1005175451 /nfs/dbraw/zinc/17/54/51/1005175451.db2.gz FQIXRAIPZBZURA-MTWWTJSRSA-N 0 3 421.545 3.634 20 30 HHEDHN COc1ccc(CNc2ccc(OC3CCN(C)CC3)nc2)cc1OCCCC#N ZINC000514076256 1005255028 /nfs/dbraw/zinc/25/50/28/1005255028.db2.gz VBLZBLOORAUPKC-UHFFFAOYSA-N 0 3 410.518 3.858 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000503048631 1005327059 /nfs/dbraw/zinc/32/70/59/1005327059.db2.gz IQXVIFKAPXWFEQ-UHFFFAOYSA-N 0 3 412.544 3.734 20 30 HHEDHN Cc1cc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000503159597 1005359589 /nfs/dbraw/zinc/35/95/89/1005359589.db2.gz YOAOVXGKDNCBSK-HXUWFJFHSA-N 0 3 413.525 3.789 20 30 HHEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(N3CCc4ccccc43)CC2)c(OC)c1 ZINC000503386905 1005404947 /nfs/dbraw/zinc/40/49/47/1005404947.db2.gz UUZYXMADVDNTCR-QHCPKHFHSA-N 0 3 422.569 3.691 20 30 HHEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000503748018 1005488729 /nfs/dbraw/zinc/48/87/29/1005488729.db2.gz MYRUWXXFRZUQED-UHFFFAOYSA-N 0 3 422.577 3.515 20 30 HHEDHN Cc1cccc(N2CCN(CCC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)CC2)c1 ZINC000504014434 1005532787 /nfs/dbraw/zinc/53/27/87/1005532787.db2.gz VDZIRXBSDYIRSX-UHFFFAOYSA-N 0 3 414.553 3.695 20 30 HHEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4ccnn4)cc3)n2)cc1 ZINC000534105359 1006079803 /nfs/dbraw/zinc/07/98/03/1006079803.db2.gz GFSKCUCEAHDYQB-SFHVURJKSA-N 0 3 401.451 3.889 20 30 HHEDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000534139743 1006119359 /nfs/dbraw/zinc/11/93/59/1006119359.db2.gz GGTHVSGFYOVRAQ-SFHVURJKSA-N 0 3 413.905 3.845 20 30 HHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccn(-c2ccccc2)n1 ZINC000531409183 1006178700 /nfs/dbraw/zinc/17/87/00/1006178700.db2.gz UFEAOQWZDKFJFC-UHFFFAOYSA-N 0 3 408.575 3.971 20 30 HHEDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C2)CC1 ZINC000531578315 1006282192 /nfs/dbraw/zinc/28/21/92/1006282192.db2.gz MUKBYWWHIFCCLP-DEOSSOPVSA-N 0 3 417.557 3.542 20 30 HHEDHN Cc1cc(C(C)(C)NCC(=O)NCc2cccc(C#N)c2)ccc1Br ZINC000515505864 1006504923 /nfs/dbraw/zinc/50/49/23/1006504923.db2.gz VUNNOBLRZGXCEJ-UHFFFAOYSA-N 0 3 400.320 3.770 20 30 HHEDHN CN(C)[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000534523623 1006518432 /nfs/dbraw/zinc/51/84/32/1006518432.db2.gz DVYNMAALIXKJNZ-FQEVSTJZSA-N 0 3 403.482 3.633 20 30 HHEDHN Cc1cc(N(CCC#N)C(=O)CN2CCN(CCC(C)(C)C)CC2)ccc1Cl ZINC000532097808 1006631921 /nfs/dbraw/zinc/63/19/21/1006631921.db2.gz PWNNYZYDHUGUOA-UHFFFAOYSA-N 0 3 404.986 3.949 20 30 HHEDHN CN1CC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000534681365 1006659153 /nfs/dbraw/zinc/65/91/53/1006659153.db2.gz VUCOSGMTOILKNV-GOTSBHOMSA-N 0 3 404.514 3.556 20 30 HHEDHN Cn1c(-c2cc3ccccc3o2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000516117379 1006895220 /nfs/dbraw/zinc/89/52/20/1006895220.db2.gz DMWIPRRLIMDTDO-UHFFFAOYSA-N 0 3 412.497 3.812 20 30 HHEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000516277061 1006991455 /nfs/dbraw/zinc/99/14/55/1006991455.db2.gz BZQKKKYWOLLDPX-MSOLQXFVSA-N 0 3 420.513 3.526 20 30 HHEDHN COc1ccc(C[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c2ccccc2)cc1OC ZINC000539258899 1007553276 /nfs/dbraw/zinc/55/32/76/1007553276.db2.gz JBSPZJRDVGBKRM-GBXCKJPGSA-N 0 3 409.530 3.632 20 30 HHEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C2CCC(C)CC2)CC1 ZINC000533299238 1007615856 /nfs/dbraw/zinc/61/58/56/1007615856.db2.gz OODHNZIWDOHPCB-CGZBRXJRSA-N 0 3 400.592 3.632 20 30 HHEDHN C=CCC[C@@H](NCC(=O)NC(=O)NCC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000539329897 1007630022 /nfs/dbraw/zinc/63/00/22/1007630022.db2.gz FYPQVCFYSCVLAL-CYBMUJFWSA-N 0 3 411.346 3.690 20 30 HHEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000533346831 1007654294 /nfs/dbraw/zinc/65/42/94/1007654294.db2.gz VOHYFCWYJDZGRK-OAHLLOKOSA-N 0 3 417.575 3.881 20 30 HHEDHN C[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N(C)Cc1ccccc1 ZINC000517703011 1007916513 /nfs/dbraw/zinc/91/65/13/1007916513.db2.gz WJAIIRPYDIIKLY-IBGZPJMESA-N 0 3 406.530 3.632 20 30 HHEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCCN1CCCC[C@@H]1C ZINC000517850316 1008013167 /nfs/dbraw/zinc/01/31/67/1008013167.db2.gz YVIYPZMEXLRILL-SFHVURJKSA-N 0 3 420.513 3.588 20 30 HHEDHN CN(C)[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)Cc1ccccc1 ZINC000533812933 1008129064 /nfs/dbraw/zinc/12/90/64/1008129064.db2.gz QZIXZMPVJBERCL-NRFANRHFSA-N 0 3 400.482 3.648 20 30 HHEDHN CN1CC[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1 ZINC000533948017 1008225293 /nfs/dbraw/zinc/22/52/93/1008225293.db2.gz LWVOTVYAVXQUDX-WOJBJXKFSA-N 0 3 401.432 3.802 20 30 HHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOc1cccc2ccccc21 ZINC000518462712 1008317969 /nfs/dbraw/zinc/31/79/69/1008317969.db2.gz HMYAIKNNCJVHGR-UHFFFAOYSA-N 0 3 416.525 3.864 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000518512302 1008333237 /nfs/dbraw/zinc/33/32/37/1008333237.db2.gz RQHOGMWWUIYMFE-UHFFFAOYSA-N 0 3 406.483 3.554 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000518519856 1008335763 /nfs/dbraw/zinc/33/57/63/1008335763.db2.gz IIQWCOZGRJBZDF-GOSISDBHSA-N 0 3 406.530 3.950 20 30 HHEDHN C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000540359584 1008398899 /nfs/dbraw/zinc/39/88/99/1008398899.db2.gz CULWIMAICUZLRT-ROUUACIJSA-N 0 3 405.477 3.997 20 30 HHEDHN C[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000540387158 1008411274 /nfs/dbraw/zinc/41/12/74/1008411274.db2.gz PALCBZVURGVFGX-ZWKOTPCHSA-N 0 3 405.477 3.997 20 30 HHEDHN C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC[C@@H]1c1ccccc1 ZINC000540553788 1008478819 /nfs/dbraw/zinc/47/88/19/1008478819.db2.gz MEHWJGVGZDMRME-BAGYTPMASA-N 0 3 422.598 3.583 20 30 HHEDHN N#CC(C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccncn1 ZINC000545446288 1008558764 /nfs/dbraw/zinc/55/87/64/1008558764.db2.gz GKNPIFXHIMMKCF-SFHVURJKSA-N 0 3 408.527 3.755 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CC1 ZINC000519287396 1008698987 /nfs/dbraw/zinc/69/89/87/1008698987.db2.gz BKAQULRQVBJUOS-UHFFFAOYSA-N 0 3 406.530 3.779 20 30 HHEDHN CN(C)C[C@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccc(Cl)cc1 ZINC000549240707 1008811984 /nfs/dbraw/zinc/81/19/84/1008811984.db2.gz HUHBWPBPMJRDAZ-KRWDZBQOSA-N 0 3 401.898 3.842 20 30 HHEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000519766605 1008997707 /nfs/dbraw/zinc/99/77/07/1008997707.db2.gz SDGAUYYAPIJZLC-UHFFFAOYSA-N 0 3 400.592 3.840 20 30 HHEDHN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2CC(=O)N(CCC#N)CCC#N)c1 ZINC000544125934 1009734995 /nfs/dbraw/zinc/73/49/95/1009734995.db2.gz SQUFHSFUAFNALK-ZCYQVOJMSA-N 0 3 416.525 3.882 20 30 HHEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OCc2ccncc2)cc1 ZINC000520830419 1009891426 /nfs/dbraw/zinc/89/14/26/1009891426.db2.gz HPBJQGMOPCZKOJ-UHFFFAOYSA-N 0 3 414.509 3.736 20 30 HHEDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000550678690 1010096568 /nfs/dbraw/zinc/09/65/68/1010096568.db2.gz OWYYYIYXJMQKJX-OCCQLPPTSA-N 0 3 418.875 3.852 20 30 HHEDHN C=CCN1CCC(NC(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000521237632 1010244036 /nfs/dbraw/zinc/24/40/36/1010244036.db2.gz CHENRQSORVCVAM-UHFFFAOYSA-N 0 3 417.941 3.962 20 30 HHEDHN COc1ccc(CC[C@@H]2CCCCN2CC(=O)NCc2ccc(C#N)cc2)cc1OC ZINC000522418496 1010995868 /nfs/dbraw/zinc/99/58/68/1010995868.db2.gz VIRKPCFNZQKOPU-QFIPXVFZSA-N 0 3 421.541 3.679 20 30 HHEDHN COCCN1CCC[C@H]1CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000522648103 1011136274 /nfs/dbraw/zinc/13/62/74/1011136274.db2.gz WWKORDUQCUKDRE-KRWDZBQOSA-N 0 3 413.905 3.845 20 30 HHEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000522842411 1011279842 /nfs/dbraw/zinc/27/98/42/1011279842.db2.gz VFTPJVVVVXQGBZ-JOCHJYFZSA-N 0 3 408.502 3.925 20 30 HHEDHN CN1CC[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H]1c1ccccc1 ZINC000536225453 1011373561 /nfs/dbraw/zinc/37/35/61/1011373561.db2.gz KYPYXXPZXUENFJ-WNACPCLMSA-N 0 3 418.541 3.993 20 30 HHEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000540826580 1011490230 /nfs/dbraw/zinc/49/02/30/1011490230.db2.gz MEITYSZPODDNPB-JOCHJYFZSA-N 0 3 424.520 3.934 20 30 HHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540863002 1011535925 /nfs/dbraw/zinc/53/59/25/1011535925.db2.gz BMHOXLLHXSRIAC-LJQANCHMSA-N 0 3 409.534 3.991 20 30 HHEDHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000523076503 1011545651 /nfs/dbraw/zinc/54/56/51/1011545651.db2.gz DVRHJCDCPOUOJK-UHFFFAOYSA-N 0 3 420.513 3.622 20 30 HHEDHN CCc1ccc([C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)N(C)C)cc1 ZINC000541104443 1011751416 /nfs/dbraw/zinc/75/14/16/1011751416.db2.gz BTFFUKJJUIMTPS-NRFANRHFSA-N 0 3 420.492 3.870 20 30 HHEDHN N#Cc1cccc(COc2cccc(CN3CCCC[C@H]3CN3CCOCC3)c2)c1 ZINC000536682847 1011845500 /nfs/dbraw/zinc/84/55/00/1011845500.db2.gz NUTLKPMFVWELNF-DEOSSOPVSA-N 0 3 405.542 3.824 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)NCCc2c[nH]c3ccc(Br)cc23)CC1 ZINC000541324382 1012034804 /nfs/dbraw/zinc/03/48/04/1012034804.db2.gz HHZHHCGRLBODNT-UHFFFAOYSA-N 0 3 419.367 3.813 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)CC1 ZINC000536928285 1012214636 /nfs/dbraw/zinc/21/46/36/1012214636.db2.gz MIOHXNTUOWQKCX-KXBFYZLASA-N 0 3 424.383 3.865 20 30 HHEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000537225608 1012655053 /nfs/dbraw/zinc/65/50/53/1012655053.db2.gz VHULBYSPIBVLLA-BMIGLBTASA-N 0 3 403.832 3.800 20 30 HHEDHN CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000542029554 1012925220 /nfs/dbraw/zinc/92/52/20/1012925220.db2.gz YUVSUCIGSVMRHA-IBGZPJMESA-N 0 3 418.476 3.621 20 30 HHEDHN C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H]2CCCC[C@@H]21 ZINC000542053149 1012963731 /nfs/dbraw/zinc/96/37/31/1012963731.db2.gz XVCPWNGEHGRVEJ-VQQMMKBISA-N 0 3 424.589 3.867 20 30 HHEDHN N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C2)c(F)c1 ZINC000587121348 1072512275 /nfs/dbraw/zinc/51/22/75/1072512275.db2.gz UQATYCXPJJDRFZ-GGAORHGYSA-N 0 3 420.532 3.867 20 30 HHEDHN C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000555240717 1073284107 /nfs/dbraw/zinc/28/41/07/1073284107.db2.gz CKHZSGNAHJQNKU-UHFFFAOYSA-N 0 3 422.508 3.699 20 30 HHEDHN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@@H]4CN(C)C[C@@H]43)sc2C1 ZINC000590010641 1073449050 /nfs/dbraw/zinc/44/90/50/1073449050.db2.gz RFPZIQRMBSCZDI-MDZRGWNJSA-N 0 3 414.619 3.735 20 30 HHEDHN C=CCN1CCC(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000600157953 1073598087 /nfs/dbraw/zinc/59/80/87/1073598087.db2.gz ABAPYNSXOZTGEF-UHFFFAOYSA-N 0 3 424.492 3.750 20 30 HHEDHN CCO[C@@H]1C[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]1n1cccn1 ZINC000555648767 1073704478 /nfs/dbraw/zinc/70/44/78/1073704478.db2.gz WOEBNLSYSGLOGC-SMIHKQSGSA-N 0 3 402.498 3.842 20 30 HHEDHN C=CCN1CCC(NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)CC1 ZINC000592068672 1074686751 /nfs/dbraw/zinc/68/67/51/1074686751.db2.gz RTVJKOVJJSFREF-UHFFFAOYSA-N 0 3 400.954 3.760 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)CC1 ZINC000592075714 1074687800 /nfs/dbraw/zinc/68/78/00/1074687800.db2.gz AQAQNQDUOWYIOC-UHFFFAOYSA-N 0 3 401.942 3.814 20 30 HHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(OC)c(OC)cc2Br)CC1 ZINC000592335701 1074731178 /nfs/dbraw/zinc/73/11/78/1074731178.db2.gz ABDBAINHZSASRP-UHFFFAOYSA-N 0 3 412.328 3.628 20 30 HHEDHN C=CCN1CCC(NC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000592489830 1074769284 /nfs/dbraw/zinc/76/92/84/1074769284.db2.gz BSEXDKMMLKCBQD-QFIPXVFZSA-N 0 3 421.520 3.866 20 30 HHEDHN Cc1cc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c(C)n1-c1ccc(C#N)cc1 ZINC000761000175 1075129095 /nfs/dbraw/zinc/12/90/95/1075129095.db2.gz KGIAKKZIMMYGLW-NRFANRHFSA-N 0 3 414.509 3.935 20 30 HHEDHN CC(C)[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000574873869 1075399522 /nfs/dbraw/zinc/39/95/22/1075399522.db2.gz JRBNAKWOYKEPFS-OFNKIYASSA-N 0 3 405.498 3.812 20 30 HHEDHN C=C(C)Cn1c(SCC(=O)Nc2ccccc2CN(C)C)nnc1-c1ccco1 ZINC000575107531 1075478824 /nfs/dbraw/zinc/47/88/24/1075478824.db2.gz AAXQNCLQBCZNAA-UHFFFAOYSA-N 0 3 411.531 3.907 20 30 HHEDHN N#Cc1c(Cl)c2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870216 721137193 /nfs/dbraw/zinc/13/71/93/721137193.db2.gz BWAOVBJTJWVCTQ-ROUUACIJSA-N 0 3 419.916 3.635 20 30 HHEDHN N#Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164880942 721177168 /nfs/dbraw/zinc/17/71/68/721177168.db2.gz XXYWYASVOJJIOJ-WOJBJXKFSA-N 0 3 419.916 3.635 20 30 HHEDHN