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FHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(F)cc1 ZINC000042332747 927759627 /nfs/dbraw/zinc/75/96/27/927759627.db2.gz LHPTYWYXLRQYOT-LBPRGKRZSA-N 1 1 357.454 3.707 20 30 FHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(F)cc1 ZINC000042332747 927759640 /nfs/dbraw/zinc/75/96/40/927759640.db2.gz LHPTYWYXLRQYOT-LBPRGKRZSA-N 1 1 357.454 3.707 20 30 FHEDMO C[C@]1(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1(Cl)Cl ZINC000828751797 927952520 /nfs/dbraw/zinc/95/25/20/927952520.db2.gz UEXSJTIPSLVTBK-HZPDHXFCSA-N 1 1 356.272 3.592 20 30 FHEDMO N#Cc1ccc(CCC[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)cc1 ZINC001208863121 928804534 /nfs/dbraw/zinc/80/45/34/928804534.db2.gz XKZHIKLKRZYUAF-FCHUYYIVSA-N 1 1 361.489 3.614 20 30 FHEDMO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(OCCCC#N)c1)CC2 ZINC000179551707 928823926 /nfs/dbraw/zinc/82/39/26/928823926.db2.gz ZCZDKQKFANFIBZ-UHFFFAOYSA-N 1 1 366.461 3.945 20 30 FHEDMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(OCCCC#N)c1)CC2 ZINC000179551707 928823938 /nfs/dbraw/zinc/82/39/38/928823938.db2.gz ZCZDKQKFANFIBZ-UHFFFAOYSA-N 1 1 366.461 3.945 20 30 FHEDMO C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCc1ccc(C#N)cc1 ZINC001208920990 929007583 /nfs/dbraw/zinc/00/75/83/929007583.db2.gz VSANUTBBNGPGHO-QFBILLFUSA-N 1 1 357.498 3.726 20 30 FHEDMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1CCc1ccc(C#N)cc1 ZINC001208926023 929013477 /nfs/dbraw/zinc/01/34/77/929013477.db2.gz FERMRXZBNAZSJR-HBMCJLEFSA-N 1 1 367.537 3.896 20 30 FHEDMO N#Cc1ccc(CC[N@@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)cc1 ZINC001208926007 929014196 /nfs/dbraw/zinc/01/41/96/929014196.db2.gz DLDAIIOYILLBBD-UHFFFAOYSA-N 1 1 374.410 3.727 20 30 FHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)cc1 ZINC001208926289 929018611 /nfs/dbraw/zinc/01/86/11/929018611.db2.gz DVNDVZLSGXCDEF-HSZRJFAPSA-N 1 1 363.480 3.980 20 30 FHEDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000471213046 929120481 /nfs/dbraw/zinc/12/04/81/929120481.db2.gz YULJVHVNLHPDKS-IBGZPJMESA-N 1 1 366.486 3.706 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CC[N@@H+](CCNC(=O)c1ccc(C(F)(F)F)c(F)c1)CCC(F)(F)F ZINC000427222147 945196621 /nfs/dbraw/zinc/19/66/21/945196621.db2.gz GMLQIRUMAYIXCN-UHFFFAOYSA-N 1 1 374.300 3.849 20 30 FHEDMO C[N@H+]1CC[C@H](CNC(=O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000278768748 938851480 /nfs/dbraw/zinc/85/14/80/938851480.db2.gz OGVWMBJYFVOQQC-DYVFJYSZSA-N 1 1 351.853 3.528 20 30 FHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)sc2C1 ZINC000329855924 938987660 /nfs/dbraw/zinc/98/76/60/938987660.db2.gz XRQRTQQCTHCLFG-MCIONIFRSA-N 1 1 359.495 3.586 20 30 FHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)sc2C1 ZINC000329855924 938987661 /nfs/dbraw/zinc/98/76/61/938987661.db2.gz XRQRTQQCTHCLFG-MCIONIFRSA-N 1 1 359.495 3.586 20 30 FHEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cccc(C#Cc3cccs3)c1)C2 ZINC000685585567 939002960 /nfs/dbraw/zinc/00/29/60/939002960.db2.gz MGCTURJAQHJKKO-KRWDZBQOSA-N 1 1 361.470 3.854 20 30 FHEDMO C=C(C[NH2+]Cc1cn(-c2ccccc2Br)nn1)c1ccccc1 ZINC000685614252 939004895 /nfs/dbraw/zinc/00/48/95/939004895.db2.gz ZYEVJJYZRRQARR-UHFFFAOYSA-N 1 1 369.266 3.833 20 30 FHEDMO CC(C)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCCC1 ZINC000120834413 945221405 /nfs/dbraw/zinc/22/14/05/945221405.db2.gz KTBXSIXVCXEHHE-UHFFFAOYSA-N 1 1 365.481 3.726 20 30 FHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000612106074 939054316 /nfs/dbraw/zinc/05/43/16/939054316.db2.gz QYDAFOBWQSPZIT-PGRDOPGGSA-N 1 1 368.525 3.896 20 30 FHEDMO COc1ccc(Cl)cc1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255669394 939075856 /nfs/dbraw/zinc/07/58/56/939075856.db2.gz MOGDNOWWCRORKQ-UHFFFAOYSA-N 1 1 360.841 3.736 20 30 FHEDMO N#CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612132469 939123817 /nfs/dbraw/zinc/12/38/17/939123817.db2.gz TXDITEPFWMFRBH-DNVJHFABSA-N 1 1 373.500 3.783 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612133315 939126014 /nfs/dbraw/zinc/12/60/14/939126014.db2.gz VVWLAJLOJNGEBP-ACIOBRDBSA-N 1 1 373.500 3.897 20 30 FHEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000102691711 939184994 /nfs/dbraw/zinc/18/49/94/939184994.db2.gz STHCROHMQJGLEP-CYBMUJFWSA-N 1 1 357.841 3.818 20 30 FHEDMO CC[N@@H+]1CC[C@H](Nc2nc(C)cc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000516798034 945255777 /nfs/dbraw/zinc/25/57/77/945255777.db2.gz MRSVWNWOAQXYIT-IRXDYDNUSA-N 1 1 359.836 3.697 20 30 FHEDMO CC[N@H+]1CC[C@H](Nc2nc(C)cc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000516798034 945255783 /nfs/dbraw/zinc/25/57/83/945255783.db2.gz MRSVWNWOAQXYIT-IRXDYDNUSA-N 1 1 359.836 3.697 20 30 FHEDMO C=CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255543 945257560 /nfs/dbraw/zinc/25/75/60/945257560.db2.gz OYCKMEMNGRNVLI-LVCYWYKZSA-N 1 1 369.513 3.807 20 30 FHEDMO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000544142308 945262577 /nfs/dbraw/zinc/26/25/77/945262577.db2.gz NZQPXDAOTXHZHC-MRXNPFEDSA-N 1 1 355.432 3.910 20 30 FHEDMO C=CCOc1cccc(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 ZINC000437354683 945266436 /nfs/dbraw/zinc/26/64/36/945266436.db2.gz TUPFYLAZCZZDDN-UWJYYQICSA-N 1 1 373.518 3.824 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000124385767 945274607 /nfs/dbraw/zinc/27/46/07/945274607.db2.gz ITNOAVOXQBVAHQ-CALCHBBNSA-N 1 1 363.461 3.728 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000124385767 945274618 /nfs/dbraw/zinc/27/46/18/945274618.db2.gz ITNOAVOXQBVAHQ-CALCHBBNSA-N 1 1 363.461 3.728 20 30 FHEDMO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000091962268 939884671 /nfs/dbraw/zinc/88/46/71/939884671.db2.gz SBCKUWAMLYMKEL-IIBYNOLFSA-N 1 1 352.482 3.587 20 30 FHEDMO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000091962268 939884674 /nfs/dbraw/zinc/88/46/74/939884674.db2.gz SBCKUWAMLYMKEL-IIBYNOLFSA-N 1 1 352.482 3.587 20 30 FHEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)o1 ZINC000091962268 939884678 /nfs/dbraw/zinc/88/46/78/939884678.db2.gz SBCKUWAMLYMKEL-IIBYNOLFSA-N 1 1 352.482 3.587 20 30 FHEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)o1 ZINC000091962268 939884682 /nfs/dbraw/zinc/88/46/82/939884682.db2.gz SBCKUWAMLYMKEL-IIBYNOLFSA-N 1 1 352.482 3.587 20 30 FHEDMO Cc1c([C@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)cnn1C ZINC000091967016 939885674 /nfs/dbraw/zinc/88/56/74/939885674.db2.gz QFDVJVCYSIXIMX-OAQYLSRUSA-N 1 1 374.492 3.843 20 30 FHEDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000167040575 939911695 /nfs/dbraw/zinc/91/16/95/939911695.db2.gz SQSKFLDACOCIEY-BEFAXECRSA-N 1 1 350.422 3.931 20 30 FHEDMO C#CCCCCC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000179671236 939914433 /nfs/dbraw/zinc/91/44/33/939914433.db2.gz NWBQCJKDWLBKNO-UHFFFAOYSA-N 1 1 366.427 3.933 20 30 FHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179678730 939917472 /nfs/dbraw/zinc/91/74/72/939917472.db2.gz MZYQYNDMZIHKCH-UHFFFAOYSA-N 1 1 357.461 3.661 20 30 FHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179678730 939917475 /nfs/dbraw/zinc/91/74/75/939917475.db2.gz MZYQYNDMZIHKCH-UHFFFAOYSA-N 1 1 357.461 3.661 20 30 FHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179678730 939917477 /nfs/dbraw/zinc/91/74/77/939917477.db2.gz MZYQYNDMZIHKCH-UHFFFAOYSA-N 1 1 357.461 3.661 20 30 FHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179678730 939917481 /nfs/dbraw/zinc/91/74/81/939917481.db2.gz MZYQYNDMZIHKCH-UHFFFAOYSA-N 1 1 357.461 3.661 20 30 FHEDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC000364445631 939942233 /nfs/dbraw/zinc/94/22/33/939942233.db2.gz FWJYMDOPZLUMSJ-BJWYYQGGSA-N 1 1 359.445 3.717 20 30 FHEDMO N#Cc1cccc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)n1 ZINC000413625233 939951404 /nfs/dbraw/zinc/95/14/04/939951404.db2.gz YWVMNKGNANKBOX-UHFFFAOYSA-N 1 1 371.282 3.792 20 30 FHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnnn1C1CC1 ZINC000364580791 939966808 /nfs/dbraw/zinc/96/68/08/939966808.db2.gz NSMAYARUMPXZDM-HUUCEWRRSA-N 1 1 358.449 3.958 20 30 FHEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000612327861 940001447 /nfs/dbraw/zinc/00/14/47/940001447.db2.gz FKHKUWHNYVKZHD-NRFANRHFSA-N 1 1 373.541 3.521 20 30 FHEDMO C[C@@H]([NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1)C(=O)NC1CCCC1 ZINC000364950722 940031856 /nfs/dbraw/zinc/03/18/56/940031856.db2.gz JTWRPXYYOLRTDU-ZIAGYGMSSA-N 1 1 368.506 3.780 20 30 FHEDMO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)co2)cc1 ZINC000548930706 940063558 /nfs/dbraw/zinc/06/35/58/940063558.db2.gz HATOBZLKNBDYCT-AWEZNQCLSA-N 1 1 361.401 3.851 20 30 FHEDMO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000177316397 940108385 /nfs/dbraw/zinc/10/83/85/940108385.db2.gz CLUYHKHOVBXTEN-CQSZACIVSA-N 1 1 361.461 3.823 20 30 FHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000065959745 940121975 /nfs/dbraw/zinc/12/19/75/940121975.db2.gz GICGUCSBVVEART-UHFFFAOYSA-N 1 1 373.840 3.917 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000065959745 940121978 /nfs/dbraw/zinc/12/19/78/940121978.db2.gz GICGUCSBVVEART-UHFFFAOYSA-N 1 1 373.840 3.917 20 30 FHEDMO C=CC[N@@H+](CCC(=O)N1CCc2sccc2C1)CCc1ccccc1 ZINC000065959268 940122588 /nfs/dbraw/zinc/12/25/88/940122588.db2.gz VWPJLAYJPKNZKJ-UHFFFAOYSA-N 1 1 354.519 3.754 20 30 FHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000179953985 940168990 /nfs/dbraw/zinc/16/89/90/940168990.db2.gz HMRRUMCHLMHDME-VXGBXAGGSA-N 1 1 359.401 3.594 20 30 FHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000612607055 940178391 /nfs/dbraw/zinc/17/83/91/940178391.db2.gz VOZFTBWNGKXXBO-SFHVURJKSA-N 1 1 353.853 3.558 20 30 FHEDMO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548953573 940215017 /nfs/dbraw/zinc/21/50/17/940215017.db2.gz VSYAIJCTEAHASR-UHFFFAOYSA-N 1 1 357.502 3.589 20 30 FHEDMO N#Cc1cc(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)ccn1 ZINC000612745215 940254703 /nfs/dbraw/zinc/25/47/03/940254703.db2.gz YZRFGRLMFVYLOP-UHFFFAOYSA-N 1 1 372.266 3.759 20 30 FHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3CC(=O)c3ccc(F)cc3)n2c1 ZINC000092064377 940263199 /nfs/dbraw/zinc/26/31/99/940263199.db2.gz PQLNMNVDIVWVIG-SFHVURJKSA-N 1 1 362.408 3.582 20 30 FHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3CC(=O)c3ccc(F)cc3)n2c1 ZINC000092064377 940263200 /nfs/dbraw/zinc/26/32/00/940263200.db2.gz PQLNMNVDIVWVIG-SFHVURJKSA-N 1 1 362.408 3.582 20 30 FHEDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)c1cc(C#N)ccc1Cl)CC2)C1CC1 ZINC000376064680 940263712 /nfs/dbraw/zinc/26/37/12/940263712.db2.gz DLMGKSAGDHZLEX-OAHLLOKOSA-N 1 1 357.885 3.548 20 30 FHEDMO C=CCOc1ccc(/C=C\C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000255871449 940277309 /nfs/dbraw/zinc/27/73/09/940277309.db2.gz HHSGUPCKXJPFHG-ZMOVQZPESA-N 1 1 372.509 3.510 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccc(-n3cncn3)c(C)c2)cc1 ZINC000177616970 940318923 /nfs/dbraw/zinc/31/89/23/940318923.db2.gz NRTRLJJDWFXOTM-ONNFQVAWSA-N 1 1 369.428 3.966 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(C#N)s1 ZINC000472499582 940437995 /nfs/dbraw/zinc/43/79/95/940437995.db2.gz MKELEXOWOIRVJO-QWHZDKJVSA-N 1 1 353.491 3.506 20 30 FHEDMO Cc1ccc(C)c(OC2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000066437311 940489339 /nfs/dbraw/zinc/48/93/39/940489339.db2.gz IRDSCKYVOXECDW-GCJKJVERSA-N 1 1 371.525 3.590 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000613378113 940649388 /nfs/dbraw/zinc/64/93/88/940649388.db2.gz YFDBNHDKGAXAHJ-OAQYLSRUSA-N 1 1 355.453 3.959 20 30 FHEDMO CC(C)(C)c1ccc(C#N)c(NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000613411141 940681689 /nfs/dbraw/zinc/68/16/89/940681689.db2.gz FMMCLQIXWUZDRF-UHFFFAOYSA-N 1 1 364.493 3.695 20 30 FHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000174032769 940693195 /nfs/dbraw/zinc/69/31/95/940693195.db2.gz SMGBZUWPQHGYJD-MRXNPFEDSA-N 1 1 354.450 3.517 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000582524781 940701884 /nfs/dbraw/zinc/70/18/84/940701884.db2.gz ZBWNAAITYIDKOE-SFHVURJKSA-N 1 1 357.841 3.680 20 30 FHEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613502889 940791326 /nfs/dbraw/zinc/79/13/26/940791326.db2.gz VYYSHLXVYWKEAI-FYYLOGMGSA-N 1 1 364.489 3.590 20 30 FHEDMO N#CC(CC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21)(c1ccccc1)c1ccccc1 ZINC000472575652 940900111 /nfs/dbraw/zinc/90/01/11/940900111.db2.gz VDNKXVSKBDJVPY-FCHUYYIVSA-N 1 1 373.500 3.629 20 30 FHEDMO N#CC(CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21)(c1ccccc1)c1ccccc1 ZINC000472575652 940900114 /nfs/dbraw/zinc/90/01/14/940900114.db2.gz VDNKXVSKBDJVPY-FCHUYYIVSA-N 1 1 373.500 3.629 20 30 FHEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000180419796 941009785 /nfs/dbraw/zinc/00/97/85/941009785.db2.gz OCVOPUYTBDOGHZ-SNVBAGLBSA-N 1 1 354.351 3.924 20 30 FHEDMO C[N@H+](Cc1ccccc1-c1ccccc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115540116 941125146 /nfs/dbraw/zinc/12/51/46/941125146.db2.gz FTHQTDZCOMSLAW-JOCHJYFZSA-N 1 1 355.441 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/nfs/dbraw/zinc/78/12/94/942781294.db2.gz UKOUEKNOSJMHHZ-HNNXBMFYSA-N 1 1 371.444 3.551 20 30 FHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000378443806 942781297 /nfs/dbraw/zinc/78/12/97/942781297.db2.gz UKOUEKNOSJMHHZ-HNNXBMFYSA-N 1 1 371.444 3.551 20 30 FHEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000434615171 942802782 /nfs/dbraw/zinc/80/27/82/942802782.db2.gz CMPPNIBNIGUAHR-TZIWHRDSSA-N 1 1 356.441 3.766 20 30 FHEDMO C[C@H](c1cccc(Nc2ccc([N+](=O)[O-])cc2C#N)c1)[NH+]1CCOCC1 ZINC000514197393 942808176 /nfs/dbraw/zinc/80/81/76/942808176.db2.gz MYBXTFQNTHMOSH-CQSZACIVSA-N 1 1 352.394 3.603 20 30 FHEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1cccs1 ZINC000378477327 942812917 /nfs/dbraw/zinc/81/29/17/942812917.db2.gz XLOPZIAKQRXHRM-LPHOPBHVSA-N 1 1 365.502 3.726 20 30 FHEDMO C[C@@H]([NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1)c1ccc2c(c1)CCC(=O)N2 ZINC000378487481 942814040 /nfs/dbraw/zinc/81/40/40/942814040.db2.gz FRRSCIZGBNDBNH-CQSZACIVSA-N 1 1 372.428 3.949 20 30 FHEDMO CCc1ccc([C@@H]2CN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC[NH2+]2)cc1 ZINC000505491732 942906150 /nfs/dbraw/zinc/90/61/50/942906150.db2.gz RLXLWLMCBBOTMA-NRFANRHFSA-N 1 1 361.489 3.837 20 30 FHEDMO COc1ccc(C[N@H+]2CC[C@H](O)c3ccccc3C2)cc1OCCCC#N ZINC000363885963 942966383 /nfs/dbraw/zinc/96/63/83/942966383.db2.gz HCWSNDFYLPQOBK-FQEVSTJZSA-N 1 1 366.461 3.817 20 30 FHEDMO C[N@H+](CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000505539786 942989528 /nfs/dbraw/zinc/98/95/28/942989528.db2.gz JIHYFRLDRJWVSZ-MRXNPFEDSA-N 1 1 362.260 3.806 20 30 FHEDMO C[N@@H+](CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000505539786 942989533 /nfs/dbraw/zinc/98/95/33/942989533.db2.gz JIHYFRLDRJWVSZ-MRXNPFEDSA-N 1 1 362.260 3.806 20 30 FHEDMO CC[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(F)cc1F ZINC000434882060 943027181 /nfs/dbraw/zinc/02/71/81/943027181.db2.gz ZFRCUKXKDCFLGU-CVEARBPZSA-N 1 1 361.417 3.744 20 30 FHEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C#N)c1C ZINC000434927558 943058487 /nfs/dbraw/zinc/05/84/87/943058487.db2.gz SMFAXLJMHBAEGX-UHFFFAOYSA-N 1 1 364.449 3.737 20 30 FHEDMO N#Cc1c2c(cnc1N1CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)CCC2 ZINC000425249013 943059169 /nfs/dbraw/zinc/05/91/69/943059169.db2.gz BLEFKNOLIJAGQE-QHCPKHFHSA-N 1 1 358.489 3.544 20 30 FHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000434984834 943085570 /nfs/dbraw/zinc/08/55/70/943085570.db2.gz ZWWCHIMKZUUYQU-FQEVSTJZSA-N 1 1 371.431 3.713 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000272054551 943088636 /nfs/dbraw/zinc/08/86/36/943088636.db2.gz YMFMVPONRUREHA-XMSQKQJNSA-N 1 1 373.500 3.882 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCC3CCCC3)CC2)cc1 ZINC000503263627 943092536 /nfs/dbraw/zinc/09/25/36/943092536.db2.gz VUPGYRNEGVOSNY-UHFFFAOYSA-N 1 1 368.525 3.746 20 30 FHEDMO C=CCOc1ccc(C[N@H+](C)C2CCN(c3cnccn3)CC2)cc1Cl ZINC000435030057 943113518 /nfs/dbraw/zinc/11/35/18/943113518.db2.gz PGBGPLSSOVGBNN-UHFFFAOYSA-N 1 1 372.900 3.796 20 30 FHEDMO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1=O ZINC000435048933 943120170 /nfs/dbraw/zinc/12/01/70/943120170.db2.gz KXOMXFFDXIRKJE-DOTOQJQBSA-N 1 1 371.893 3.868 20 30 FHEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1=O ZINC000435048933 943120173 /nfs/dbraw/zinc/12/01/73/943120173.db2.gz KXOMXFFDXIRKJE-DOTOQJQBSA-N 1 1 371.893 3.868 20 30 FHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000435051952 943124932 /nfs/dbraw/zinc/12/49/32/943124932.db2.gz YPXQQOFXCSMPAQ-MJGOQNOKSA-N 1 1 354.837 3.915 20 30 FHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000435051952 943124938 /nfs/dbraw/zinc/12/49/38/943124938.db2.gz YPXQQOFXCSMPAQ-MJGOQNOKSA-N 1 1 354.837 3.915 20 30 FHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435060424 943132144 /nfs/dbraw/zinc/13/21/44/943132144.db2.gz ZEZPZIVHHYIRDL-KVSKMBFKSA-N 1 1 365.502 3.912 20 30 FHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000272388022 943147969 /nfs/dbraw/zinc/14/79/69/943147969.db2.gz HVVVESSYTZGVRI-GOSISDBHSA-N 1 1 368.525 3.754 20 30 FHEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(F)cc1F ZINC000435126190 943180677 /nfs/dbraw/zinc/18/06/77/943180677.db2.gz KBRZXOREPCMBFJ-UHFFFAOYSA-N 1 1 367.403 3.769 20 30 FHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(F)cc1F ZINC000435126190 943180680 /nfs/dbraw/zinc/18/06/80/943180680.db2.gz KBRZXOREPCMBFJ-UHFFFAOYSA-N 1 1 367.403 3.769 20 30 FHEDMO C=CCOc1cccc(C[N@H+](CC)CC(=O)Nc2cccc(OC)c2)c1 ZINC000505613664 943206723 /nfs/dbraw/zinc/20/67/23/943206723.db2.gz RFRPSNINPCOYKV-UHFFFAOYSA-N 1 1 354.450 3.721 20 30 FHEDMO C=CCOc1cccc(C[N@@H+](CC)CC(=O)Nc2cccc(OC)c2)c1 ZINC000505613664 943206727 /nfs/dbraw/zinc/20/67/27/943206727.db2.gz RFRPSNINPCOYKV-UHFFFAOYSA-N 1 1 354.450 3.721 20 30 FHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000435160476 943215870 /nfs/dbraw/zinc/21/58/70/943215870.db2.gz HYIZGNGUKNAIMW-KSSFIOAISA-N 1 1 352.413 3.654 20 30 FHEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000272896433 943240462 /nfs/dbraw/zinc/24/04/62/943240462.db2.gz FPPPKXJOOSKXCZ-OAHLLOKOSA-N 1 1 364.371 3.641 20 30 FHEDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000366624821 943245346 /nfs/dbraw/zinc/24/53/46/943245346.db2.gz ABCGEIDOKIHDTO-YLJYHZDGSA-N 1 1 354.498 3.690 20 30 FHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000505660694 943323221 /nfs/dbraw/zinc/32/32/21/943323221.db2.gz MNCVKZRMSWAPTQ-HZPDHXFCSA-N 1 1 358.486 3.587 20 30 FHEDMO C=CCOc1ccccc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422914007 943329027 /nfs/dbraw/zinc/32/90/27/943329027.db2.gz ZPUNNTBXXCIJME-KNQAVFIVSA-N 1 1 350.462 3.597 20 30 FHEDMO C[C@@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000425368973 943384316 /nfs/dbraw/zinc/38/43/16/943384316.db2.gz YSQYABIYVNIHHJ-JKSUJKDBSA-N 1 1 356.491 3.758 20 30 FHEDMO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC001167742051 943393047 /nfs/dbraw/zinc/39/30/47/943393047.db2.gz WKOUUBPEKBXBMP-UHFFFAOYSA-N 1 1 353.853 3.736 20 30 FHEDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C#N)s2)[C@H]1c1ccccc1 ZINC000514929349 943400528 /nfs/dbraw/zinc/40/05/28/943400528.db2.gz RUTJCSXVOIEQLM-VQIMIIECSA-N 1 1 368.506 3.502 20 30 FHEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431927597 943410445 /nfs/dbraw/zinc/41/04/45/943410445.db2.gz ZCAPMTJNTJWTQQ-OALUTQOASA-N 1 1 356.514 3.841 20 30 FHEDMO C[C@@H]([NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(C#N)cc1F ZINC000503907842 943414734 /nfs/dbraw/zinc/41/47/34/943414734.db2.gz DYWQLEPQIDUGEJ-IERDGZPVSA-N 1 1 361.420 3.951 20 30 FHEDMO C=CC[C@@H](C)C(=O)N1CCC2(CCC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001269960094 943421817 /nfs/dbraw/zinc/42/18/17/943421817.db2.gz LYEHJFBPQLVSLD-MRXNPFEDSA-N 1 1 361.555 3.868 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCCC2(C)C)c1C#N ZINC000584754941 943535962 /nfs/dbraw/zinc/53/59/62/943535962.db2.gz WKQNBKFMJBPVLF-UHFFFAOYSA-N 1 1 368.481 3.821 20 30 FHEDMO Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000509976868 943568776 /nfs/dbraw/zinc/56/87/76/943568776.db2.gz JCUDTVJKRINORJ-QFBILLFUSA-N 1 1 353.491 3.741 20 30 FHEDMO CC(C)[C@H]1[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC12CCOCC2 ZINC000584769022 943571614 /nfs/dbraw/zinc/57/16/14/943571614.db2.gz YFHZSZKCJFFXDW-OAQYLSRUSA-N 1 1 364.493 3.596 20 30 FHEDMO C=CCCc1ccccc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000504284793 943581755 /nfs/dbraw/zinc/58/17/55/943581755.db2.gz UKRDDYBLBGOYIE-UHFFFAOYSA-N 1 1 363.505 3.805 20 30 FHEDMO CC(C)(CCC#N)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000504433011 943630852 /nfs/dbraw/zinc/63/08/52/943630852.db2.gz DFPLPHWIGYGCQG-IBGZPJMESA-N 1 1 370.541 3.916 20 30 FHEDMO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1 ZINC000504538776 943661709 /nfs/dbraw/zinc/66/17/09/943661709.db2.gz NIUFJUYMTCBVRR-RHSMWYFYSA-N 1 1 367.449 3.593 20 30 FHEDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1 ZINC000504538776 943661721 /nfs/dbraw/zinc/66/17/21/943661721.db2.gz NIUFJUYMTCBVRR-RHSMWYFYSA-N 1 1 367.449 3.593 20 30 FHEDMO N#Cc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000504541807 943666010 /nfs/dbraw/zinc/66/60/10/943666010.db2.gz KNGNYDQGSSZOPQ-GOSISDBHSA-N 1 1 355.388 3.654 20 30 FHEDMO C=CCOc1cccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000504588518 943699757 /nfs/dbraw/zinc/69/97/57/943699757.db2.gz CUOONDVOHXCZLQ-GOSISDBHSA-N 1 1 352.478 3.903 20 30 FHEDMO C=CCOc1cccc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000504588518 943699762 /nfs/dbraw/zinc/69/97/62/943699762.db2.gz CUOONDVOHXCZLQ-GOSISDBHSA-N 1 1 352.478 3.903 20 30 FHEDMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424115648 943739871 /nfs/dbraw/zinc/73/98/71/943739871.db2.gz ASRZAJWRICYFGP-CDXJDZJCSA-N 1 1 363.461 3.965 20 30 FHEDMO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@H+]1CCC[C@@H](C)C1 ZINC000435881699 943815868 /nfs/dbraw/zinc/81/58/68/943815868.db2.gz BNNYSKWFCMFJKN-QZTJIDSGSA-N 1 1 366.509 3.795 20 30 FHEDMO C=CCn1cc(C[NH2+][C@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000424294295 943823495 /nfs/dbraw/zinc/82/34/95/943823495.db2.gz KIXQJXKAPIGQNW-KRWDZBQOSA-N 1 1 361.287 3.784 20 30 FHEDMO CCN(C(=O)c1sccc1C#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500007015 943942478 /nfs/dbraw/zinc/94/24/78/943942478.db2.gz OTBNUJSQBDZSRB-QAPCUYQASA-N 1 1 353.491 3.917 20 30 FHEDMO C=CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(OC)cc1 ZINC000515511736 943944676 /nfs/dbraw/zinc/94/46/76/943944676.db2.gz PDLZHMGWBIAQPB-TZIWHRDSSA-N 1 1 356.510 3.864 20 30 FHEDMO C=CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(OC)cc1 ZINC000515511736 943944678 /nfs/dbraw/zinc/94/46/78/943944678.db2.gz PDLZHMGWBIAQPB-TZIWHRDSSA-N 1 1 356.510 3.864 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000436067127 943987665 /nfs/dbraw/zinc/98/76/65/943987665.db2.gz FRWVARVYUCNZBM-SFHVURJKSA-N 1 1 357.841 3.680 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000437636998 944002349 /nfs/dbraw/zinc/00/23/49/944002349.db2.gz BUAZPQKIAAEZJK-XUZZJYLKSA-N 1 1 374.484 3.929 20 30 FHEDMO CCCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000425853274 944011911 /nfs/dbraw/zinc/01/19/11/944011911.db2.gz VXXCKCVMJTVFFM-PWRODBHTSA-N 1 1 368.525 3.765 20 30 FHEDMO C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000436100173 944014985 /nfs/dbraw/zinc/01/49/85/944014985.db2.gz JFZARARQMWHAMX-XQQFMLRXSA-N 1 1 369.387 3.699 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000425466815 944021864 /nfs/dbraw/zinc/02/18/64/944021864.db2.gz BWUSTPRHXPUQNK-INIZCTEOSA-N 1 1 368.456 3.532 20 30 FHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425468452 944035539 /nfs/dbraw/zinc/03/55/39/944035539.db2.gz DRJNQIXQFVSIPX-XDNAFOTISA-N 1 1 356.514 3.627 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C[C@H](C)O)C2CCCCC2)c1 ZINC000517136149 944037730 /nfs/dbraw/zinc/03/77/30/944037730.db2.gz VBPLGEKNQYCHNS-IBGZPJMESA-N 1 1 371.525 3.566 20 30 FHEDMO COCC[N@@H+](C)CCCC1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000162571180 944091910 /nfs/dbraw/zinc/09/19/10/944091910.db2.gz VJTYZNZIVMQVML-UHFFFAOYSA-N 1 1 366.509 3.681 20 30 FHEDMO CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000517199547 944096978 /nfs/dbraw/zinc/09/69/78/944096978.db2.gz ZEBACPSZQRVURP-VQIMIIECSA-N 1 1 363.452 3.588 20 30 FHEDMO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(F)c1 ZINC000517240891 944134127 /nfs/dbraw/zinc/13/41/27/944134127.db2.gz MKGBHTDZCHUJOS-UHFFFAOYSA-N 1 1 358.388 3.888 20 30 FHEDMO N#CC[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000437851770 944166454 /nfs/dbraw/zinc/16/64/54/944166454.db2.gz PIJAKJHKVXJLSF-PZJWPPBQSA-N 1 1 353.510 3.987 20 30 FHEDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@H]1c1ccc(F)cc1F ZINC000425513092 944191128 /nfs/dbraw/zinc/19/11/28/944191128.db2.gz QZEAIYYROMDRNB-FASAQXTFSA-N 1 1 370.399 3.786 20 30 FHEDMO C[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1C(=O)OC(C)(C)C ZINC000425515394 944197680 /nfs/dbraw/zinc/19/76/80/944197680.db2.gz SNBQXQZWJSBJEC-IRXDYDNUSA-N 1 1 350.503 3.529 20 30 FHEDMO C[C@H](C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000436326059 944204473 /nfs/dbraw/zinc/20/44/73/944204473.db2.gz PIOIIOONCPFRIV-YFXJRYMSSA-N 1 1 373.500 3.732 20 30 FHEDMO C[C@H](C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000436326059 944204479 /nfs/dbraw/zinc/20/44/79/944204479.db2.gz PIOIIOONCPFRIV-YFXJRYMSSA-N 1 1 373.500 3.732 20 30 FHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000500174757 944213224 /nfs/dbraw/zinc/21/32/24/944213224.db2.gz WBEXIISHAYSQAQ-GHTZIAJQSA-N 1 1 353.510 3.771 20 30 FHEDMO CCC[N@@H+](CCc1cccc(F)c1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000500188418 944231499 /nfs/dbraw/zinc/23/14/99/944231499.db2.gz SEJUBNLLNFALLK-UHFFFAOYSA-N 1 1 359.489 3.765 20 30 FHEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000517371367 944251732 /nfs/dbraw/zinc/25/17/32/944251732.db2.gz UGTFNQZSRLADRS-MRXNPFEDSA-N 1 1 367.424 3.704 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000425535204 944281002 /nfs/dbraw/zinc/28/10/02/944281002.db2.gz NAQZDSXPNUGQOW-INIZCTEOSA-N 1 1 372.472 3.617 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000425535204 944281009 /nfs/dbraw/zinc/28/10/09/944281009.db2.gz NAQZDSXPNUGQOW-INIZCTEOSA-N 1 1 372.472 3.617 20 30 FHEDMO CCCOc1ccc(CNC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425543296 944294075 /nfs/dbraw/zinc/29/40/75/944294075.db2.gz ZDWOMFFICAXJEB-KRWDZBQOSA-N 1 1 365.477 3.656 20 30 FHEDMO CCCOc1ccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425543296 944294080 /nfs/dbraw/zinc/29/40/80/944294080.db2.gz ZDWOMFFICAXJEB-KRWDZBQOSA-N 1 1 365.477 3.656 20 30 FHEDMO CSc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425539356 944297731 /nfs/dbraw/zinc/29/77/31/944297731.db2.gz UBJRPLHPJLLASH-INIZCTEOSA-N 1 1 367.518 3.932 20 30 FHEDMO CSc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425539356 944297738 /nfs/dbraw/zinc/29/77/38/944297738.db2.gz UBJRPLHPJLLASH-INIZCTEOSA-N 1 1 367.518 3.932 20 30 FHEDMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425545068 944306239 /nfs/dbraw/zinc/30/62/39/944306239.db2.gz UJODSUIQXUGTRA-MRXNPFEDSA-N 1 1 353.441 3.739 20 30 FHEDMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425545068 944306248 /nfs/dbraw/zinc/30/62/48/944306248.db2.gz UJODSUIQXUGTRA-MRXNPFEDSA-N 1 1 353.441 3.739 20 30 FHEDMO Cn1cc(CNc2[nH+]c3cc(F)ccc3n2C)c(-c2ccc(C#N)cc2)n1 ZINC000184255752 944346136 /nfs/dbraw/zinc/34/61/36/944346136.db2.gz IRNQSEBOBHKQJB-UHFFFAOYSA-N 1 1 360.396 3.597 20 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/nfs/dbraw/zinc/69/56/76/944695676.db2.gz WYPBLWIYRRNHOO-UHFFFAOYSA-N 1 1 354.498 3.616 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000500383122 944695683 /nfs/dbraw/zinc/69/56/83/944695683.db2.gz WYPBLWIYRRNHOO-UHFFFAOYSA-N 1 1 354.498 3.616 20 30 FHEDMO CCCCCCCC(=O)N1CCC2(C[NH+](Cc3cc(C)nn3C)C2)CC1 ZINC001270134785 944710224 /nfs/dbraw/zinc/71/02/24/944710224.db2.gz TXVWCHQTYTTYJZ-UHFFFAOYSA-N 1 1 360.546 3.513 20 30 FHEDMO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000015295606 944723891 /nfs/dbraw/zinc/72/38/91/944723891.db2.gz VHMMDXWFYAMKMV-UHFFFAOYSA-N 1 1 365.477 3.691 20 30 FHEDMO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000015295606 944723893 /nfs/dbraw/zinc/72/38/93/944723893.db2.gz VHMMDXWFYAMKMV-UHFFFAOYSA-N 1 1 365.477 3.691 20 30 FHEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000458809458 944755048 /nfs/dbraw/zinc/75/50/48/944755048.db2.gz AIXKHWWFUWETFX-ZSXPUABSSA-N 1 1 368.525 3.793 20 30 FHEDMO COc1ccccc1N1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000566777294 944804881 /nfs/dbraw/zinc/80/48/81/944804881.db2.gz JSEJICVLEVUEIL-FQEVSTJZSA-N 1 1 363.461 3.583 20 30 FHEDMO COc1cccc(-c2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cc2)c1 ZINC000439639377 944824957 /nfs/dbraw/zinc/82/49/57/944824957.db2.gz KIUVNMSRSAAUDR-QFIPXVFZSA-N 1 1 371.440 3.550 20 30 FHEDMO C[C@@H]([N@H+](Cc1ccccc1)C[C@H]1CNc2c(C#N)cnn2C1)C(C)(C)C ZINC000517936931 944850459 /nfs/dbraw/zinc/85/04/59/944850459.db2.gz CKNHXZFRIUMAEW-SJLPKXTDSA-N 1 1 351.498 3.733 20 30 FHEDMO CN(C)c1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc[nH+]1 ZINC000500427521 944884298 /nfs/dbraw/zinc/88/42/98/944884298.db2.gz QPQGSXFTFLIYOI-UHFFFAOYSA-N 1 1 372.428 3.851 20 30 FHEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426463635 944890553 /nfs/dbraw/zinc/89/05/53/944890553.db2.gz WMXUNMDOLRAVMS-GOSISDBHSA-N 1 1 350.428 3.721 20 30 FHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000517971011 944894416 /nfs/dbraw/zinc/89/44/16/944894416.db2.gz CUHMFWCFURPDRH-CSODHUTKSA-N 1 1 362.477 3.754 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000431991615 944900528 /nfs/dbraw/zinc/90/05/28/944900528.db2.gz KRNZSOIQQONGJO-CVEARBPZSA-N 1 1 374.444 3.697 20 30 FHEDMO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3ccnc4ccccc43)CC2)cc1 ZINC000516488437 944933014 /nfs/dbraw/zinc/93/30/14/944933014.db2.gz CXQZTERDHZJBFH-JOCHJYFZSA-N 1 1 370.456 3.512 20 30 FHEDMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000438723454 944970152 /nfs/dbraw/zinc/97/01/52/944970152.db2.gz LHPWQYIEUSIYJK-QFIPXVFZSA-N 1 1 370.468 3.733 20 30 FHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507184377 945014028 /nfs/dbraw/zinc/01/40/28/945014028.db2.gz RZPGYIKUTIUNBX-UHFFFAOYSA-N 1 1 355.482 3.631 20 30 FHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1cccc(C#N)c1 ZINC000507183785 945014152 /nfs/dbraw/zinc/01/41/52/945014152.db2.gz ZNNHTWSIQRKOLN-UHFFFAOYSA-N 1 1 374.444 3.716 20 30 FHEDMO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000437104927 945026885 /nfs/dbraw/zinc/02/68/85/945026885.db2.gz AUOQJOLJWIXVKX-CEMLEFRQSA-N 1 1 350.462 3.507 20 30 FHEDMO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000437104927 945026891 /nfs/dbraw/zinc/02/68/91/945026891.db2.gz AUOQJOLJWIXVKX-CEMLEFRQSA-N 1 1 350.462 3.507 20 30 FHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000437115519 945037114 /nfs/dbraw/zinc/03/71/14/945037114.db2.gz IWSMJTQOOMEMLT-QWFCFKBJSA-N 1 1 370.880 3.851 20 30 FHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000437115519 945037125 /nfs/dbraw/zinc/03/71/25/945037125.db2.gz IWSMJTQOOMEMLT-QWFCFKBJSA-N 1 1 370.880 3.851 20 30 FHEDMO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000651541627 945037261 /nfs/dbraw/zinc/03/72/61/945037261.db2.gz UMWJPCPIYWHXIZ-UHFFFAOYSA-N 1 1 367.541 3.560 20 30 FHEDMO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000437117792 945039985 /nfs/dbraw/zinc/03/99/85/945039985.db2.gz MDVDYDJWHUWQAF-AKIFATBCSA-N 1 1 364.489 3.815 20 30 FHEDMO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000437117792 945039997 /nfs/dbraw/zinc/03/99/97/945039997.db2.gz MDVDYDJWHUWQAF-AKIFATBCSA-N 1 1 364.489 3.815 20 30 FHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cnc(-c2ccccc2)nc1 ZINC000519026821 945040233 /nfs/dbraw/zinc/04/02/33/945040233.db2.gz VFMIOKMGVGGDPW-UHFFFAOYSA-N 1 1 358.445 3.664 20 30 FHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cnc(-c2ccccc2)nc1 ZINC000519026821 945040240 /nfs/dbraw/zinc/04/02/40/945040240.db2.gz VFMIOKMGVGGDPW-UHFFFAOYSA-N 1 1 358.445 3.664 20 30 FHEDMO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000437117794 945040438 /nfs/dbraw/zinc/04/04/38/945040438.db2.gz MDVDYDJWHUWQAF-MZYLBHOOSA-N 1 1 364.489 3.815 20 30 FHEDMO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000437117794 945040445 /nfs/dbraw/zinc/04/04/45/945040445.db2.gz MDVDYDJWHUWQAF-MZYLBHOOSA-N 1 1 364.489 3.815 20 30 FHEDMO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000426155576 945041147 /nfs/dbraw/zinc/04/11/47/945041147.db2.gz YSHQSRJDGJDJPH-KRWDZBQOSA-N 1 1 368.868 3.998 20 30 FHEDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000426167270 945050659 /nfs/dbraw/zinc/05/06/59/945050659.db2.gz SGPLRHWGPAANMD-WMLDXEAASA-N 1 1 368.868 3.996 20 30 FHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437127333 945056804 /nfs/dbraw/zinc/05/68/04/945056804.db2.gz XRXDXJUQJVFTCW-RVKKMQEKSA-N 1 1 363.452 3.997 20 30 FHEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000507612457 945374917 /nfs/dbraw/zinc/37/49/17/945374917.db2.gz CJQIRBOHGJZPRI-PXNSSMCTSA-N 1 1 350.462 3.817 20 30 FHEDMO O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330205997 945401744 /nfs/dbraw/zinc/40/17/44/945401744.db2.gz CWEGSBYSPKBEBJ-HNNXBMFYSA-N 1 1 371.462 3.796 20 30 FHEDMO O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330205997 945401754 /nfs/dbraw/zinc/40/17/54/945401754.db2.gz CWEGSBYSPKBEBJ-HNNXBMFYSA-N 1 1 371.462 3.796 20 30 FHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCc3ccccc3C1)CCC2 ZINC000106888597 945426199 /nfs/dbraw/zinc/42/61/99/945426199.db2.gz JQCBDMWFQLVAGE-UHFFFAOYSA-N 1 1 365.502 3.885 20 30 FHEDMO Cc1cccnc1OC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000330265508 945434161 /nfs/dbraw/zinc/43/41/61/945434161.db2.gz ZIYKNUSCAIMAEE-KRWDZBQOSA-N 1 1 370.497 3.805 20 30 FHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000330272297 945437995 /nfs/dbraw/zinc/43/79/95/945437995.db2.gz XJZULYIBWYMKMW-MSOLQXFVSA-N 1 1 365.562 3.882 20 30 FHEDMO CCNC(=O)N1CCc2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc21 ZINC000330287170 945446607 /nfs/dbraw/zinc/44/66/07/945446607.db2.gz CDMSZZMTIPLOGA-KRWDZBQOSA-N 1 1 358.486 3.836 20 30 FHEDMO Cc1c([C@H](C)[NH2+]Cc2cccc(C#N)c2)nnn1-c1ccc(Cl)cc1 ZINC000151384635 945493441 /nfs/dbraw/zinc/49/34/41/945493441.db2.gz CUNPIUYGAUFZDN-ZDUSSCGKSA-N 1 1 351.841 3.952 20 30 FHEDMO CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000330308629 945511207 /nfs/dbraw/zinc/51/12/07/945511207.db2.gz MIRUGKOCCQZBFV-JWWGGVBKSA-N 1 1 374.525 3.958 20 30 FHEDMO CCCC[C@H](CC)C[N@H+]1CCC2(CN(C(=O)c3ccccc3C#N)C2)C1 ZINC001270803262 945553683 /nfs/dbraw/zinc/55/36/83/945553683.db2.gz JSAFRARGWVYNIX-SFHVURJKSA-N 1 1 353.510 3.923 20 30 FHEDMO C=CCN(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H](C)COC ZINC000664930623 945571215 /nfs/dbraw/zinc/57/12/15/945571215.db2.gz KBPPYTVLIGSEBL-CTNGQTDRSA-N 1 1 373.541 3.521 20 30 FHEDMO CSCCC[N@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000281310500 945586508 /nfs/dbraw/zinc/58/65/08/945586508.db2.gz HZZCEUVVNBKMCU-CQSZACIVSA-N 1 1 351.541 3.704 20 30 FHEDMO CSCCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000281310500 945586513 /nfs/dbraw/zinc/58/65/13/945586513.db2.gz HZZCEUVVNBKMCU-CQSZACIVSA-N 1 1 351.541 3.704 20 30 FHEDMO Cc1cccc2c1CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000729480035 945587886 /nfs/dbraw/zinc/58/78/86/945587886.db2.gz UPOZFHRRHUPJCQ-UHFFFAOYSA-N 1 1 353.853 3.907 20 30 FHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281354407 945602871 /nfs/dbraw/zinc/60/28/71/945602871.db2.gz NIUYMDPHBPCJFJ-XVAYZXCPSA-N 1 1 369.553 3.833 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])c1 ZINC000519658601 945607043 /nfs/dbraw/zinc/60/70/43/945607043.db2.gz XOAQWNJATJVQRZ-KRWDZBQOSA-N 1 1 365.389 3.575 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])c1 ZINC000519658601 945607051 /nfs/dbraw/zinc/60/70/51/945607051.db2.gz XOAQWNJATJVQRZ-KRWDZBQOSA-N 1 1 365.389 3.575 20 30 FHEDMO C=CCOc1ccc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1OC ZINC000519720038 945672829 /nfs/dbraw/zinc/67/28/29/945672829.db2.gz DUORKSDXIHYIOT-QGZVFWFLSA-N 1 1 368.477 3.510 20 30 FHEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)NC3CCCCCCC3)CC2)c1 ZINC000729480334 945780791 /nfs/dbraw/zinc/78/07/91/945780791.db2.gz UTNCBEYSBIRKPK-UHFFFAOYSA-N 1 1 369.509 3.631 20 30 FHEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@H](C)C1 ZINC000281819817 945870031 /nfs/dbraw/zinc/87/00/31/945870031.db2.gz WURLVBUSJIEKBI-OWCLPIDISA-N 1 1 361.511 3.519 20 30 FHEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@H](C)C1 ZINC000281819817 945870040 /nfs/dbraw/zinc/87/00/40/945870040.db2.gz WURLVBUSJIEKBI-OWCLPIDISA-N 1 1 361.511 3.519 20 30 FHEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000111257576 945873177 /nfs/dbraw/zinc/87/31/77/945873177.db2.gz AJMDLEGIBIXZGB-KRWDZBQOSA-N 1 1 352.482 3.714 20 30 FHEDMO Cc1ccc(-c2cccc(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)c2)cc1 ZINC000467403330 945912880 /nfs/dbraw/zinc/91/28/80/945912880.db2.gz WAOIQJNXHWMXIJ-JOCHJYFZSA-N 1 1 355.441 3.850 20 30 FHEDMO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000522833618 945953739 /nfs/dbraw/zinc/95/37/39/945953739.db2.gz ZZRDOJWYHHEGBC-GOSISDBHSA-N 1 1 362.477 3.733 20 30 FHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(Br)c1 ZINC000281938297 945954300 /nfs/dbraw/zinc/95/43/00/945954300.db2.gz IOMGJXKXNVZSPO-UHFFFAOYSA-N 1 1 351.288 3.981 20 30 FHEDMO COC(=O)c1cccc(C[N@H+](C)[C@@H]2CCCc3cc(OC)ccc32)c1C#N ZINC000550315471 945982912 /nfs/dbraw/zinc/98/29/12/945982912.db2.gz LVHVZGIXDDHZNH-OAQYLSRUSA-N 1 1 364.445 3.863 20 30 FHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCCc3cc(OC)ccc32)c1C#N ZINC000550315471 945982915 /nfs/dbraw/zinc/98/29/15/945982915.db2.gz LVHVZGIXDDHZNH-OAQYLSRUSA-N 1 1 364.445 3.863 20 30 FHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000444160851 946003661 /nfs/dbraw/zinc/00/36/61/946003661.db2.gz XRZMBBAAFZQSOP-LJQANCHMSA-N 1 1 351.475 3.677 20 30 FHEDMO N#Cc1ccc(NC(=O)C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cc1Cl ZINC000444208355 946077402 /nfs/dbraw/zinc/07/74/02/946077402.db2.gz ACZQVXCAKDPRNN-KRWDZBQOSA-N 1 1 361.873 3.574 20 30 FHEDMO CC[N@@H+](CCNCc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000236880179 946217700 /nfs/dbraw/zinc/21/77/00/946217700.db2.gz PULCAXLSIFHEPK-UHFFFAOYSA-N 1 1 351.494 3.957 20 30 FHEDMO CCN(CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000236880179 946217712 /nfs/dbraw/zinc/21/77/12/946217712.db2.gz PULCAXLSIFHEPK-UHFFFAOYSA-N 1 1 351.494 3.957 20 30 FHEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000520169247 946221293 /nfs/dbraw/zinc/22/12/93/946221293.db2.gz GUEAALBSAOGECC-LJQANCHMSA-N 1 1 353.853 3.665 20 30 FHEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000520169247 946221302 /nfs/dbraw/zinc/22/13/02/946221302.db2.gz GUEAALBSAOGECC-LJQANCHMSA-N 1 1 353.853 3.665 20 30 FHEDMO CCOc1ccc(C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000520173738 946229604 /nfs/dbraw/zinc/22/96/04/946229604.db2.gz YIZKGQBEBNGPAW-FQEVSTJZSA-N 1 1 368.477 3.607 20 30 FHEDMO Cc1nc(C)c([C@H](C)[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000248755467 946236301 /nfs/dbraw/zinc/23/63/01/946236301.db2.gz PHQNPQFSFAPIGC-KSSFIOAISA-N 1 1 368.506 3.820 20 30 FHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000248755467 946236306 /nfs/dbraw/zinc/23/63/06/946236306.db2.gz PHQNPQFSFAPIGC-KSSFIOAISA-N 1 1 368.506 3.820 20 30 FHEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000441174331 946280831 /nfs/dbraw/zinc/28/08/31/946280831.db2.gz YROFSRDPIRKCMJ-QGZVFWFLSA-N 1 1 350.853 3.614 20 30 FHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000441174331 946280840 /nfs/dbraw/zinc/28/08/40/946280840.db2.gz YROFSRDPIRKCMJ-QGZVFWFLSA-N 1 1 350.853 3.614 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000186014959 946295601 /nfs/dbraw/zinc/29/56/01/946295601.db2.gz QHOJIPNDFHEMAY-HNNXBMFYSA-N 1 1 369.432 3.806 20 30 FHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000520312173 946401061 /nfs/dbraw/zinc/40/10/61/946401061.db2.gz OALOOUPBWDEZEY-QGZVFWFLSA-N 1 1 373.566 3.808 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125516161 946405624 /nfs/dbraw/zinc/40/56/24/946405624.db2.gz HZYYLJCBGAIELY-MRXNPFEDSA-N 1 1 355.482 3.699 20 30 FHEDMO CCOc1ccc(C[NH+]2CCN(c3cc(C#N)c4ccccc4n3)CC2)cc1 ZINC000609890863 946491615 /nfs/dbraw/zinc/49/16/15/946491615.db2.gz WSOQKCHLFBXRCR-UHFFFAOYSA-N 1 1 372.472 3.827 20 30 FHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000441388116 946543747 /nfs/dbraw/zinc/54/37/47/946543747.db2.gz YZOSELUXTTXMBG-RTWAWAEBSA-N 1 1 352.478 3.560 20 30 FHEDMO C=CCn1c(CC(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508491412 946576035 /nfs/dbraw/zinc/57/60/35/946576035.db2.gz TWIXXQMNJFZQFS-MRXNPFEDSA-N 1 1 359.543 3.607 20 30 FHEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186582495 946576523 /nfs/dbraw/zinc/57/65/23/946576523.db2.gz ATCFVVFXYHGAEW-AWEZNQCLSA-N 1 1 351.841 3.985 20 30 FHEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186582495 946576513 /nfs/dbraw/zinc/57/65/13/946576513.db2.gz ATCFVVFXYHGAEW-AWEZNQCLSA-N 1 1 351.841 3.985 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000469898413 946604945 /nfs/dbraw/zinc/60/49/45/946604945.db2.gz PZAFFVUUOSTKOO-INIZCTEOSA-N 1 1 351.429 3.593 20 30 FHEDMO C=C(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000192790695 946653368 /nfs/dbraw/zinc/65/33/68/946653368.db2.gz HKUOYQGXYIKEDE-SFHVURJKSA-N 1 1 369.408 3.785 20 30 FHEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000121393441 946656339 /nfs/dbraw/zinc/65/63/39/946656339.db2.gz XGOIYIIXTWSJHK-YJBOKZPZSA-N 1 1 351.425 3.904 20 30 FHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCc3oc(C(=O)OCC)c(C)c32)CC1 ZINC000192839565 946706938 /nfs/dbraw/zinc/70/69/38/946706938.db2.gz QEKDSWHDLYPENX-QGZVFWFLSA-N 1 1 360.498 3.772 20 30 FHEDMO CCn1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c2ccccc21 ZINC000473150125 946708275 /nfs/dbraw/zinc/70/82/75/946708275.db2.gz ZBOBVAXHCWWMNW-UHFFFAOYSA-N 1 1 359.477 3.640 20 30 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/nfs/dbraw/zinc/96/53/48/946965348.db2.gz JEBGTQHLXJYDSB-HNNXBMFYSA-N 1 1 356.445 3.826 20 30 FHEDMO Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)CCC2 ZINC000328649909 946965567 /nfs/dbraw/zinc/96/55/67/946965567.db2.gz IWYYXODOMNABSE-HKUYNNGSSA-N 1 1 370.472 3.829 20 30 FHEDMO Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)CCC2 ZINC000328649909 946965575 /nfs/dbraw/zinc/96/55/75/946965575.db2.gz IWYYXODOMNABSE-HKUYNNGSSA-N 1 1 370.472 3.829 20 30 FHEDMO Cc1cccc(CNC(=O)CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328658865 946969303 /nfs/dbraw/zinc/96/93/03/946969303.db2.gz RUXFGZDPHWTSSN-IBGZPJMESA-N 1 1 366.509 3.864 20 30 FHEDMO COc1c(Cl)cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000328674764 946976534 /nfs/dbraw/zinc/97/65/34/946976534.db2.gz KCNVTKOJNUTJKP-KGLIPLIRSA-N 1 1 358.269 3.764 20 30 FHEDMO CC(C)C[C@H](CNC(=O)c1ccc2c(c1)NC(=O)C2(C)C)[NH+]1CCOCC1 ZINC000328687027 946987928 /nfs/dbraw/zinc/98/79/28/946987928.db2.gz GRGSEOAMUCVGPI-MRXNPFEDSA-N 1 1 373.497 3.617 20 30 FHEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC1CC(c2ccccc2)C1 ZINC000328747874 947008359 /nfs/dbraw/zinc/00/83/59/947008359.db2.gz PGIPIOMQGHNWIS-UUKMXZOPSA-N 1 1 352.482 3.764 20 30 FHEDMO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1 ZINC000328747744 947008436 /nfs/dbraw/zinc/00/84/36/947008436.db2.gz BBHWJLZDCZIHBC-JXFKEZNVSA-N 1 1 369.509 3.879 20 30 FHEDMO C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000444595108 947020526 /nfs/dbraw/zinc/02/05/26/947020526.db2.gz JGKVNKKONRVLTM-QZTJIDSGSA-N 1 1 368.525 3.600 20 30 FHEDMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328805162 947028901 /nfs/dbraw/zinc/02/89/01/947028901.db2.gz CYPDPCIPYFJEHG-HHXXYDBFSA-N 1 1 358.482 3.604 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000328791966 947048182 /nfs/dbraw/zinc/04/81/82/947048182.db2.gz RCECHGVASZDZLE-ZBFHGGJFSA-N 1 1 363.889 3.666 20 30 FHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328831803 947055450 /nfs/dbraw/zinc/05/54/50/947055450.db2.gz RIOGPRWOGCCBJE-YZGWKJHDSA-N 1 1 371.525 3.675 20 30 FHEDMO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C[C@H]1CCCO1 ZINC000328857365 947067721 /nfs/dbraw/zinc/06/77/21/947067721.db2.gz DFOPDHIHJVUTFL-MRXNPFEDSA-N 1 1 360.454 3.817 20 30 FHEDMO C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C[C@H]1CCCO1 ZINC000328857365 947067730 /nfs/dbraw/zinc/06/77/30/947067730.db2.gz DFOPDHIHJVUTFL-MRXNPFEDSA-N 1 1 360.454 3.817 20 30 FHEDMO COC(=O)C[C@H]1CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444655717 947074735 /nfs/dbraw/zinc/07/47/35/947074735.db2.gz AYRYLQDRGHSRTJ-OAQYLSRUSA-N 1 1 362.473 3.914 20 30 FHEDMO Cc1cc(N2CCC(NC(=O)N3CC=C(C(C)(C)C)CC3)CC2)nc(C)[nH+]1 ZINC000328885124 947082244 /nfs/dbraw/zinc/08/22/44/947082244.db2.gz NEZABAIURZUULA-UHFFFAOYSA-N 1 1 371.529 3.654 20 30 FHEDMO Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000328884778 947082663 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353.441 3.901 20 30 FHEDMO C=CC[C@H]1[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000444780503 947195110 /nfs/dbraw/zinc/19/51/10/947195110.db2.gz FMTOSXQEYISHOT-GOSISDBHSA-N 1 1 351.512 3.536 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)[C@@H](C)C1 ZINC000330501607 947203581 /nfs/dbraw/zinc/20/35/81/947203581.db2.gz VBBGGZJKUGMQPY-ZFWWWQNUSA-N 1 1 371.476 3.684 20 30 FHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCC1(C)C ZINC000444773971 947209098 /nfs/dbraw/zinc/20/90/98/947209098.db2.gz HBMITOJAEYEDNM-KRWDZBQOSA-N 1 1 361.442 3.609 20 30 FHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1OC ZINC000628301995 947217564 /nfs/dbraw/zinc/21/75/64/947217564.db2.gz MVKRGIRPMIUORG-IBGZPJMESA-N 1 1 351.874 3.916 20 30 FHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330603147 947223665 /nfs/dbraw/zinc/22/36/65/947223665.db2.gz HRRMVAHKPDMKQF-DJPFJPOOSA-N 1 1 357.498 3.523 20 30 FHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330603147 947223676 /nfs/dbraw/zinc/22/36/76/947223676.db2.gz HRRMVAHKPDMKQF-DJPFJPOOSA-N 1 1 357.498 3.523 20 30 FHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125513902 947246599 /nfs/dbraw/zinc/24/65/99/947246599.db2.gz FCRZDUPJZXVWHQ-QGZVFWFLSA-N 1 1 361.530 3.531 20 30 FHEDMO CCCOc1c(Cl)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000330916195 947320606 /nfs/dbraw/zinc/32/06/06/947320606.db2.gz UWFAMAQGONYOLQ-TZMCWYRMSA-N 1 1 354.878 3.925 20 30 FHEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000523549425 947361954 /nfs/dbraw/zinc/36/19/54/947361954.db2.gz NJRAYCOZYZIQFW-ZDUSSCGKSA-N 1 1 358.404 3.730 20 30 FHEDMO CC(=O)N(C)c1cccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000331175185 947365986 /nfs/dbraw/zinc/36/59/86/947365986.db2.gz PISRZUKXJSAHKD-IBGZPJMESA-N 1 1 360.502 3.506 20 30 FHEDMO CNC(=O)c1cccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1C ZINC000331279702 947376020 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ZINC000175976147 932947646 /nfs/dbraw/zinc/94/76/46/932947646.db2.gz NMFIUIVVMOMWBM-UHFFFAOYSA-N 1 1 362.477 3.547 20 30 FHEDMO Cc1cccc(NC(=O)C[N@H+](C)CCCOc2cccc(C#N)c2)c1C ZINC000178297586 933070300 /nfs/dbraw/zinc/07/03/00/933070300.db2.gz MMHKLHMTDFGAEO-UHFFFAOYSA-N 1 1 351.450 3.515 20 30 FHEDMO Cc1cccc(NC(=O)C[N@@H+](C)CCCOc2cccc(C#N)c2)c1C ZINC000178297586 933070307 /nfs/dbraw/zinc/07/03/07/933070307.db2.gz MMHKLHMTDFGAEO-UHFFFAOYSA-N 1 1 351.450 3.515 20 30 FHEDMO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000328876155 933078308 /nfs/dbraw/zinc/07/83/08/933078308.db2.gz GFZUVHLDLMJRIB-KRWDZBQOSA-N 1 1 363.546 3.636 20 30 FHEDMO COc1cccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000051325020 933086902 /nfs/dbraw/zinc/08/69/02/933086902.db2.gz QVDVKNPVSOCGEE-UHFFFAOYSA-N 1 1 365.477 3.691 20 30 FHEDMO COc1cccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000051325020 933086907 /nfs/dbraw/zinc/08/69/07/933086907.db2.gz QVDVKNPVSOCGEE-UHFFFAOYSA-N 1 1 365.477 3.691 20 30 FHEDMO Cc1c([C@H](C)[NH2+]CC2(CC#N)CC2)nnn1-c1cccc(Br)c1 ZINC000430739739 933191274 /nfs/dbraw/zinc/19/12/74/933191274.db2.gz IGBIFNUZPJUHNL-LBPRGKRZSA-N 1 1 374.286 3.683 20 30 FHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1 ZINC000380419046 933500982 /nfs/dbraw/zinc/50/09/82/933500982.db2.gz HGQBCMVGDUXIGM-UHFFFAOYSA-N 1 1 363.505 3.924 20 30 FHEDMO N#Cc1ccccc1OCC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610604512 933511182 /nfs/dbraw/zinc/51/11/82/933511182.db2.gz BEWXAUCUSQKSLK-VXGBXAGGSA-N 1 1 352.278 3.610 20 30 FHEDMO N#Cc1ccc(CN2CCC[N@@H+](CCN3CCCc4ccccc43)CC2)cc1 ZINC000610701686 933820316 /nfs/dbraw/zinc/82/03/16/933820316.db2.gz HSHCWYZIPINDHV-UHFFFAOYSA-N 1 1 374.532 3.519 20 30 FHEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000471927181 933834958 /nfs/dbraw/zinc/83/49/58/933834958.db2.gz ADJCPGXNMZEEGK-QZTJIDSGSA-N 1 1 354.841 3.779 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000431140400 933908193 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374.403 3.566 20 30 FHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000181297031 934641898 /nfs/dbraw/zinc/64/18/98/934641898.db2.gz CHOBMYORAPEPKD-ZDUSSCGKSA-N 1 1 374.403 3.566 20 30 FHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187698565 934809811 /nfs/dbraw/zinc/80/98/11/934809811.db2.gz UZOBWHPSAYHREF-NRFANRHFSA-N 1 1 373.500 3.570 20 30 FHEDMO C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548612913 935007774 /nfs/dbraw/zinc/00/77/74/935007774.db2.gz BGAISKFICLKFGW-HNAYVOBHSA-N 1 1 367.880 3.852 20 30 FHEDMO COc1cc(N[C@H]2CCC[N@H+](Cc3cccc(C#N)c3F)C2)cc(OC)c1 ZINC000539249620 935107675 /nfs/dbraw/zinc/10/76/75/935107675.db2.gz FKDJZKRBEOMIQW-KRWDZBQOSA-N 1 1 369.440 3.791 20 30 FHEDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3F)C2)cc(OC)c1 ZINC000539249620 935107678 /nfs/dbraw/zinc/10/76/78/935107678.db2.gz FKDJZKRBEOMIQW-KRWDZBQOSA-N 1 1 369.440 3.791 20 30 FHEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000051423034 935221236 /nfs/dbraw/zinc/22/12/36/935221236.db2.gz RRFPEUILWUSTBX-VXKWHMMOSA-N 1 1 364.489 3.590 20 30 FHEDMO COCC[N@@H+](C)CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000539497296 935224780 /nfs/dbraw/zinc/22/47/80/935224780.db2.gz UVAJIFTXSRQQAJ-AVRDEDQJSA-N 1 1 351.494 3.918 20 30 FHEDMO COCCN(C)CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000539497296 935224783 /nfs/dbraw/zinc/22/47/83/935224783.db2.gz UVAJIFTXSRQQAJ-AVRDEDQJSA-N 1 1 351.494 3.918 20 30 FHEDMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 ZINC000563244041 935248357 /nfs/dbraw/zinc/24/83/57/935248357.db2.gz NHWPXUVGLLLSPW-DZGCQCFKSA-N 1 1 354.479 3.787 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000187731731 935495957 /nfs/dbraw/zinc/49/59/57/935495957.db2.gz FNJAROSRMXTTFV-MRXNPFEDSA-N 1 1 351.425 3.606 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000187731731 935495959 /nfs/dbraw/zinc/49/59/59/935495959.db2.gz FNJAROSRMXTTFV-MRXNPFEDSA-N 1 1 351.425 3.606 20 30 FHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000582472816 935758524 /nfs/dbraw/zinc/75/85/24/935758524.db2.gz CROKGJJEIILVIJ-HAFPXEGZSA-N 1 1 359.473 3.613 20 30 FHEDMO N#Cc1ccc(-c2cnc(C[N@@H+](CCO)[C@@H]3CCc4ccccc43)o2)cc1 ZINC000119879934 935774254 /nfs/dbraw/zinc/77/42/54/935774254.db2.gz MDMKEVLLIJIQOE-HXUWFJFHSA-N 1 1 359.429 3.695 20 30 FHEDMO N#Cc1ccc(-c2cnc(C[N@H+](CCO)[C@@H]3CCc4ccccc43)o2)cc1 ZINC000119879934 935774255 /nfs/dbraw/zinc/77/42/55/935774255.db2.gz MDMKEVLLIJIQOE-HXUWFJFHSA-N 1 1 359.429 3.695 20 30 FHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 ZINC000187764060 935808720 /nfs/dbraw/zinc/80/87/20/935808720.db2.gz CMDSDFYPRDNPBW-IBGZPJMESA-N 1 1 362.445 3.818 20 30 FHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000609401990 935816638 /nfs/dbraw/zinc/81/66/38/935816638.db2.gz QNKMJKFYHOGEKW-JKSUJKDBSA-N 1 1 360.527 3.934 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@@H](C)C[C@H]2C)c1C#N ZINC000472231094 935824127 /nfs/dbraw/zinc/82/41/27/935824127.db2.gz FKMVTNARQLRDHG-LSDHHAIUSA-N 1 1 368.481 3.677 20 30 FHEDMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+](C)C[C@@H](C)C#N ZINC000611661627 935883737 /nfs/dbraw/zinc/88/37/37/935883737.db2.gz PPDFIFHWRQKOLE-LBPRGKRZSA-N 1 1 366.303 3.876 20 30 FHEDMO FC(F)Oc1ccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000255521902 935951055 /nfs/dbraw/zinc/95/10/55/935951055.db2.gz OLBTVVXVSQLSSQ-UHFFFAOYSA-N 1 1 362.376 3.675 20 30 FHEDMO C=C(C)COc1cc(C[NH2+]Cc2c(OC)cccc2OC)ccc1OC ZINC000657586474 936060398 /nfs/dbraw/zinc/06/03/98/936060398.db2.gz WHZSYNWTISABKH-UHFFFAOYSA-N 1 1 357.450 3.957 20 30 FHEDMO C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c2ccccc2S1 ZINC000046527171 936086722 /nfs/dbraw/zinc/08/67/22/936086722.db2.gz WWBJWYIFNASLIH-MRXNPFEDSA-N 1 1 365.502 3.908 20 30 FHEDMO C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c2ccccc2S1 ZINC000046527171 936086725 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3.940 20 30 FHEDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(-n2cccn2)c1 ZINC000183570840 942594128 /nfs/dbraw/zinc/59/41/28/942594128.db2.gz SQGUJNWXEKXGQT-OAHLLOKOSA-N 1 1 370.416 3.645 20 30 FHEDMO Cn1cc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000120238417 942608108 /nfs/dbraw/zinc/60/81/08/942608108.db2.gz ZASKAFNNZJSNRN-UHFFFAOYSA-N 1 1 365.264 3.664 20 30 FHEDMO CC1(C)CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H]1C#N ZINC000434446997 942671277 /nfs/dbraw/zinc/67/12/77/942671277.db2.gz SGUXCUAXWBBVDZ-PKOBYXMFSA-N 1 1 357.473 3.578 20 30 FHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(F)cc(F)c1OC)C2 ZINC001143559942 942753988 /nfs/dbraw/zinc/75/39/88/942753988.db2.gz BLVJTNWGWFIIII-UYAOXDASSA-N 1 1 367.436 3.547 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000378443807 942781079 /nfs/dbraw/zinc/78/10/79/942781079.db2.gz UKOUEKNOSJMHHZ-OAHLLOKOSA-N 1 1 371.444 3.551 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000378443807 942781082 /nfs/dbraw/zinc/78/10/82/942781082.db2.gz UKOUEKNOSJMHHZ-OAHLLOKOSA-N 1 1 371.444 3.551 20 30 FHEDMO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000514185651 942794642 /nfs/dbraw/zinc/79/46/42/942794642.db2.gz JIEGZARAXNGJDE-HXUWFJFHSA-N 1 1 353.510 3.687 20 30 FHEDMO CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C[C@@H]1CCCO1 ZINC000514203162 942811558 /nfs/dbraw/zinc/81/15/58/942811558.db2.gz GKKVLYPOGUDBTN-CVEARBPZSA-N 1 1 361.511 3.520 20 30 FHEDMO CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C[C@@H]1CCCO1 ZINC000514203162 942811562 /nfs/dbraw/zinc/81/15/62/942811562.db2.gz GKKVLYPOGUDBTN-CVEARBPZSA-N 1 1 361.511 3.520 20 30 FHEDMO Cc1ccccc1[C@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434852756 943008379 /nfs/dbraw/zinc/00/83/79/943008379.db2.gz YIGDEGPWEATDFJ-WMZOPIPTSA-N 1 1 351.475 3.523 20 30 FHEDMO Cc1ccccc1[C@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434852756 943008381 /nfs/dbraw/zinc/00/83/81/943008381.db2.gz YIGDEGPWEATDFJ-WMZOPIPTSA-N 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ZINC000435020158 943100762 /nfs/dbraw/zinc/10/07/62/943100762.db2.gz NQFMLDGUZKPQCA-UYAOXDASSA-N 1 1 365.521 3.703 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435020157 943100960 /nfs/dbraw/zinc/10/09/60/943100960.db2.gz NQFMLDGUZKPQCA-QUCCMNQESA-N 1 1 365.521 3.703 20 30 FHEDMO CN(C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000435152278 943193546 /nfs/dbraw/zinc/19/35/46/943193546.db2.gz SMCQGYNIRZTERA-LJQANCHMSA-N 1 1 366.440 3.826 20 30 FHEDMO CC(C)[N@H+]1CCc2nc(CN3C[C@@H](c4ccccc4)[C@H](C#N)C3)sc2C1 ZINC000430132932 943210978 /nfs/dbraw/zinc/21/09/78/943210978.db2.gz NDKSWGFBFHKOLV-MSOLQXFVSA-N 1 1 366.534 3.649 20 30 FHEDMO C=CCn1c(SCC[N@H+](C)Cc2ccccc2)nc2sccc2c1=O ZINC000430122880 943218515 /nfs/dbraw/zinc/21/85/15/943218515.db2.gz PIHLUIPZHZBIDT-UHFFFAOYSA-N 1 1 371.531 3.868 20 30 FHEDMO N#Cc1ccc(CNC(=O)C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)cc1 ZINC000503582048 943264254 /nfs/dbraw/zinc/26/42/54/943264254.db2.gz VAEGBHWBAUEXDL-JOCHJYFZSA-N 1 1 359.473 3.716 20 30 FHEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(C4(C#N)CC4)cc3)sc2C1 ZINC000273042192 943264407 /nfs/dbraw/zinc/26/44/07/943264407.db2.gz PEIBRWBSDCTQPT-UHFFFAOYSA-N 1 1 366.490 3.717 20 30 FHEDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(C4(C#N)CC4)cc3)sc2C1 ZINC000273042192 943264409 /nfs/dbraw/zinc/26/44/09/943264409.db2.gz PEIBRWBSDCTQPT-UHFFFAOYSA-N 1 1 366.490 3.717 20 30 FHEDMO Cc1cc(N2CC[NH+](Cc3ccco3)CC2)n2c3ccccc3nc2c1C#N ZINC000514758686 943270933 /nfs/dbraw/zinc/27/09/33/943270933.db2.gz VZANQORVOQNXEN-UHFFFAOYSA-N 1 1 371.444 3.583 20 30 FHEDMO CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1cc(C#N)ccn1 ZINC001269441622 943371931 /nfs/dbraw/zinc/37/19/31/943371931.db2.gz PSJWERCCUMWKOP-UHFFFAOYSA-N 1 1 370.456 3.862 20 30 FHEDMO COCCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000425365997 943376339 /nfs/dbraw/zinc/37/63/39/943376339.db2.gz NTWXKZXVTUJPAH-INIZCTEOSA-N 1 1 354.450 3.785 20 30 FHEDMO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NCc1nc(C#N)cs1 ZINC000514975091 943427668 /nfs/dbraw/zinc/42/76/68/943427668.db2.gz BCJUIBCHUBKLAB-GOSISDBHSA-N 1 1 354.523 3.577 20 30 FHEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NCc1nc(C#N)cs1 ZINC000514975091 943427673 /nfs/dbraw/zinc/42/76/73/943427673.db2.gz BCJUIBCHUBKLAB-GOSISDBHSA-N 1 1 354.523 3.577 20 30 FHEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@H](CC)CCCC)C[C@H](C1)O2 ZINC001269977035 943469590 /nfs/dbraw/zinc/46/95/90/943469590.db2.gz GVZOVWZVUZDYPZ-QRVBRYPASA-N 1 1 350.547 3.717 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000515161080 943539756 /nfs/dbraw/zinc/53/97/56/943539756.db2.gz SGVAWGNOIPKJBN-INIZCTEOSA-N 1 1 364.449 3.949 20 30 FHEDMO C#CCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000236694759 943627628 /nfs/dbraw/zinc/62/76/28/943627628.db2.gz JRKQJUOMUAMHIB-NOTZXAQLSA-N 1 1 360.501 3.984 20 30 FHEDMO C#CCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000236694759 943627635 /nfs/dbraw/zinc/62/76/35/943627635.db2.gz JRKQJUOMUAMHIB-NOTZXAQLSA-N 1 1 360.501 3.984 20 30 FHEDMO CN1CCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)[C@H](c2ccccc2)C1 ZINC000584811004 943650280 /nfs/dbraw/zinc/65/02/80/943650280.db2.gz XKLBDRSHMOZIMJ-ZEQRLZLVSA-N 1 1 374.532 3.514 20 30 FHEDMO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@H+]1CCCC[C@@H]1C ZINC000435784542 943769891 /nfs/dbraw/zinc/76/98/91/943769891.db2.gz FRQUSGHZXPRUPP-ZWKOTPCHSA-N 1 1 366.509 3.938 20 30 FHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000515293092 943777960 /nfs/dbraw/zinc/77/79/60/943777960.db2.gz GBFUVDZMVMWRNP-SCLBCKFNSA-N 1 1 363.914 3.758 20 30 FHEDMO N#CCCn1cc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c(-c2ccncc2)n1 ZINC000424199992 943784340 /nfs/dbraw/zinc/78/43/40/943784340.db2.gz QSAQDVHGJXODIV-CTNGQTDRSA-N 1 1 361.424 3.586 20 30 FHEDMO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000424255721 943807488 /nfs/dbraw/zinc/80/74/88/943807488.db2.gz UVPBXIDDXSTKFI-IKGGRYGDSA-N 1 1 363.575 3.589 20 30 FHEDMO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@H+]1CCC[C@@H](C)C1 ZINC000435881698 943815448 /nfs/dbraw/zinc/81/54/48/943815448.db2.gz BNNYSKWFCMFJKN-MSOLQXFVSA-N 1 1 366.509 3.795 20 30 FHEDMO CCCCCCCCCC(=O)N1CCC2(C[NH+](CCN(C)C)C2)CC1 ZINC001270238112 943947580 /nfs/dbraw/zinc/94/75/80/943947580.db2.gz LWOKPRZZBMDSQM-UHFFFAOYSA-N 1 1 351.579 3.613 20 30 FHEDMO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccc(OC)cc1 ZINC000515528739 943964281 /nfs/dbraw/zinc/96/42/81/943964281.db2.gz UKXWDHFYBXIBDM-GOSISDBHSA-N 1 1 352.478 3.903 20 30 FHEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccc(OC)cc1 ZINC000515528739 943964288 /nfs/dbraw/zinc/96/42/88/943964288.db2.gz UKXWDHFYBXIBDM-GOSISDBHSA-N 1 1 352.478 3.903 20 30 FHEDMO C=C[C@](C)(CCOC)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000437609578 943966912 /nfs/dbraw/zinc/96/69/12/943966912.db2.gz XGAGQHCGVLKXHF-PGRDOPGGSA-N 1 1 358.526 3.764 20 30 FHEDMO CCC[C@H]1CN(C(=O)c2cc(C#N)oc2C)CC[N@@H+]1Cc1ccccc1 ZINC000436045015 943969068 /nfs/dbraw/zinc/96/90/68/943969068.db2.gz CYPRFKCYFWEAEV-SFHVURJKSA-N 1 1 351.450 3.586 20 30 FHEDMO CCC[C@H]1CN(C(=O)c2cc(C#N)oc2C)CC[N@H+]1Cc1ccccc1 ZINC000436045015 943969074 /nfs/dbraw/zinc/96/90/74/943969074.db2.gz CYPRFKCYFWEAEV-SFHVURJKSA-N 1 1 351.450 3.586 20 30 FHEDMO C=CCN(C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H](C)COC ZINC000664519144 943976093 /nfs/dbraw/zinc/97/60/93/943976093.db2.gz HOOHLZMAXLKGAC-IRFCIJBXSA-N 1 1 373.541 3.520 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000437636999 944002803 /nfs/dbraw/zinc/00/28/03/944002803.db2.gz BUAZPQKIAAEZJK-ZJSXRUAMSA-N 1 1 374.484 3.929 20 30 FHEDMO C=CCC1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000424589276 944009609 /nfs/dbraw/zinc/00/96/09/944009609.db2.gz JOHDQQDCBXROFS-LJQANCHMSA-N 1 1 370.537 3.908 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C[C@@H](C)O)C2CCCCC2)c1 ZINC000517136150 944037674 /nfs/dbraw/zinc/03/76/74/944037674.db2.gz VBPLGEKNQYCHNS-LJQANCHMSA-N 1 1 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CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1OC ZINC000120720908 944860819 /nfs/dbraw/zinc/86/08/19/944860819.db2.gz XOAXTVCQRVJLMC-UHFFFAOYSA-N 1 1 354.450 3.996 20 30 FHEDMO CCCCCCCCC(=O)N1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001270163296 944967239 /nfs/dbraw/zinc/96/72/39/944967239.db2.gz ANQYTHNLSPEXEV-UHFFFAOYSA-N 1 1 360.546 3.975 20 30 FHEDMO CCCCCCCCC(=O)N1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001270163885 944972565 /nfs/dbraw/zinc/97/25/65/944972565.db2.gz LRGWJPMPFDSHCE-OAQYLSRUSA-N 1 1 351.579 3.613 20 30 FHEDMO CCCCCCCCC(=O)N1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001270163885 944972573 /nfs/dbraw/zinc/97/25/73/944972573.db2.gz LRGWJPMPFDSHCE-OAQYLSRUSA-N 1 1 351.579 3.613 20 30 FHEDMO CCCCNC(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427022487 945019797 /nfs/dbraw/zinc/01/97/97/945019797.db2.gz NDCVMLWDGYANAX-KRWDZBQOSA-N 1 1 366.427 3.685 20 30 FHEDMO N#Cc1ccc2ncc(C[NH2+]Cc3cc(F)c(C(F)(F)F)cc3F)n2c1 ZINC000519025427 945038803 /nfs/dbraw/zinc/03/88/03/945038803.db2.gz 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20 30 FHEDMO COCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)c1ccccc1 ZINC000441520339 948193982 /nfs/dbraw/zinc/19/39/82/948193982.db2.gz COVSOVPWJOWBQL-INIZCTEOSA-N 1 1 362.433 3.818 20 30 FHEDMO COCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)c1ccccc1 ZINC000441520339 948193988 /nfs/dbraw/zinc/19/39/88/948193988.db2.gz COVSOVPWJOWBQL-INIZCTEOSA-N 1 1 362.433 3.818 20 30 FHEDMO CC(C)(C#N)c1ccccc1C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000585718624 948234570 /nfs/dbraw/zinc/23/45/70/948234570.db2.gz PANUJBLBDWWELZ-QHCPKHFHSA-N 1 1 364.489 3.641 20 30 FHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cscc3C#N)cc2)C1 ZINC000432404322 948345494 /nfs/dbraw/zinc/34/54/94/948345494.db2.gz UTBPQLGNZLGCAG-HNNXBMFYSA-N 1 1 353.491 3.782 20 30 FHEDMO C=CCOCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543950205 948348916 /nfs/dbraw/zinc/34/89/16/948348916.db2.gz IYIQVJUKCUHTAG-AEFFLSMTSA-N 1 1 368.880 3.712 20 30 FHEDMO C=CCOCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543950205 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352.482 3.802 20 30 FHEDMO Cc1cc(-c2noc([C@H](C)[NH2+][C@H](C)CC3(C#N)CCOCC3)n2)ccc1F ZINC000602640937 568002981 /nfs/dbraw/zinc/00/29/81/568002981.db2.gz FDCHTPKNIRNZBW-CABCVRRESA-N 1 1 372.444 3.934 20 30 FHEDMO N#CC1(CCC[N@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)CCOCC1 ZINC000602811075 568041971 /nfs/dbraw/zinc/04/19/71/568041971.db2.gz JXFLTGCKFNDCGR-LJQANCHMSA-N 1 1 366.509 3.849 20 30 FHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000481659610 568081477 /nfs/dbraw/zinc/08/14/77/568081477.db2.gz RIORQIAZXPDSMD-RDTXWAMCSA-N 1 1 352.413 3.654 20 30 FHEDMO COc1ccc([C@H](O)C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000291227194 568084197 /nfs/dbraw/zinc/08/41/97/568084197.db2.gz JZKPHBSPTPDBMX-NRFANRHFSA-N 1 1 354.425 3.652 20 30 FHEDMO CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568636747 568103253 /nfs/dbraw/zinc/10/32/53/568103253.db2.gz AXZADQHLSGCRME-HXUWFJFHSA-N 1 1 364.449 3.563 20 30 FHEDMO 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C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580293912 940471952 /nfs/dbraw/zinc/47/19/52/940471952.db2.gz JXHJPYKYMKLVNK-LMDOGRNLSA-N 1 1 373.500 3.689 20 30 FHEDMO N#Cc1cc(F)cc(C2(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)c1 ZINC000580475306 940476192 /nfs/dbraw/zinc/47/61/92/940476192.db2.gz NWJXGOPBXQJHAX-FQEVSTJZSA-N 1 1 369.484 3.642 20 30 FHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1C#N ZINC000613179274 940480196 /nfs/dbraw/zinc/48/01/96/940480196.db2.gz RSXMVLJKSWVGMH-LJQANCHMSA-N 1 1 357.461 3.512 20 30 FHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1C#N ZINC000613179274 940480197 /nfs/dbraw/zinc/48/01/97/940480197.db2.gz RSXMVLJKSWVGMH-LJQANCHMSA-N 1 1 357.461 3.512 20 30 FHEDMO COc1cc(C#N)ccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000613303442 940509630 /nfs/dbraw/zinc/50/96/30/940509630.db2.gz QMQHQMWOLQHUKB-FUHWJXTLSA-N 1 1 370.497 3.685 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C(=O)NCCCC)CC[C@H]2C)cc1OC ZINC000511481801 940603512 /nfs/dbraw/zinc/60/35/12/940603512.db2.gz ZKVRHAQJFMBAMS-IEBWSBKVSA-N 1 1 374.525 3.777 20 30 FHEDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)[C@H](C)CO1 ZINC000173832436 940679980 /nfs/dbraw/zinc/67/99/80/940679980.db2.gz YFPCCWUVVVBNPY-QAPCUYQASA-N 1 1 369.490 3.719 20 30 FHEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H](C)CO1 ZINC000173832436 940679982 /nfs/dbraw/zinc/67/99/82/940679982.db2.gz YFPCCWUVVVBNPY-QAPCUYQASA-N 1 1 369.490 3.719 20 30 FHEDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccco1 ZINC000174093822 940702146 /nfs/dbraw/zinc/70/21/46/940702146.db2.gz RXYRIOWYNQIDTI-AWEZNQCLSA-N 1 1 366.343 3.594 20 30 FHEDMO COc1c(C)cc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1C ZINC000507583913 945341820 /nfs/dbraw/zinc/34/18/20/945341820.db2.gz BCPMLJMRUJCNDW-UHFFFAOYSA-N 1 1 365.477 3.691 20 30 FHEDMO COc1c(C)cc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1C ZINC000507583913 945341825 /nfs/dbraw/zinc/34/18/25/945341825.db2.gz BCPMLJMRUJCNDW-UHFFFAOYSA-N 1 1 365.477 3.691 20 30 FHEDMO Cn1cc(C[NH2+]Cc2cc(-c3ccccc3)on2)c(-c2ccc(C#N)cc2)n1 ZINC000180160571 940721142 /nfs/dbraw/zinc/72/11/42/940721142.db2.gz SUQXCEXMELOHGB-UHFFFAOYSA-N 1 1 369.428 3.904 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2[C@@H](C)CCC2(C)C)c1C#N ZINC000452008389 940731084 /nfs/dbraw/zinc/73/10/84/940731084.db2.gz OVVSERONUYXCLV-AWEZNQCLSA-N 1 1 368.481 3.819 20 30 FHEDMO C=CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174933533 940793675 /nfs/dbraw/zinc/79/36/75/940793675.db2.gz RJXWIQCOEPBYCA-HXUWFJFHSA-N 1 1 364.489 3.846 20 30 FHEDMO CN(C)c1cccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180245355 940875097 /nfs/dbraw/zinc/87/50/97/940875097.db2.gz BLQXOCZHBKRULI-UHFFFAOYSA-N 1 1 359.477 3.657 20 30 FHEDMO C=CCC[C@H](O)C[N@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000472580679 940933635 /nfs/dbraw/zinc/93/36/35/940933635.db2.gz DJOCOLVQJAKMOD-IBGZPJMESA-N 1 1 360.546 3.526 20 30 FHEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000609455753 940968005 /nfs/dbraw/zinc/96/80/05/940968005.db2.gz SGBILDXAXJRHLD-FQEVSTJZSA-N 1 1 367.880 3.996 20 30 FHEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000609455753 940968008 /nfs/dbraw/zinc/96/80/08/940968008.db2.gz SGBILDXAXJRHLD-FQEVSTJZSA-N 1 1 367.880 3.996 20 30 FHEDMO N#Cc1ccnc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000376423160 940970698 /nfs/dbraw/zinc/97/06/98/940970698.db2.gz STPACSWLXMTJAL-UHFFFAOYSA-N 1 1 359.433 3.685 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000186294606 940975594 /nfs/dbraw/zinc/97/55/94/940975594.db2.gz ZBMPQQGHKPIHIR-IBGZPJMESA-N 1 1 371.488 3.623 20 30 FHEDMO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000330128707 945367755 /nfs/dbraw/zinc/36/77/55/945367755.db2.gz NWHRZEZJNIDTBT-ORGXJRBJSA-N 1 1 374.525 3.925 20 30 FHEDMO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000330128707 945367768 /nfs/dbraw/zinc/36/77/68/945367768.db2.gz NWHRZEZJNIDTBT-ORGXJRBJSA-N 1 1 374.525 3.925 20 30 FHEDMO C[N@H+]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[C@@H]1c1cccs1 ZINC000376445247 941020631 /nfs/dbraw/zinc/02/06/31/941020631.db2.gz ASVADLRVWBYMFY-KZULUSFZSA-N 1 1 371.466 3.605 20 30 FHEDMO C=C[C@H](CC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC000533919673 941054808 /nfs/dbraw/zinc/05/48/08/941054808.db2.gz RFFNGBWUCFTVOL-GOSISDBHSA-N 1 1 354.519 3.795 20 30 FHEDMO N#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000181185718 941112331 /nfs/dbraw/zinc/11/23/31/941112331.db2.gz YGMYQGHFSIODCP-APWZRJJASA-N 1 1 374.326 3.769 20 30 FHEDMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC1(c2ccccc2)CC1 ZINC000189287266 941155343 /nfs/dbraw/zinc/15/53/43/941155343.db2.gz VJNGTQJDZBCLOQ-UHFFFAOYSA-N 1 1 353.853 3.814 20 30 FHEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC1(c2ccccc2)CC1 ZINC000189287266 941155344 /nfs/dbraw/zinc/15/53/44/941155344.db2.gz VJNGTQJDZBCLOQ-UHFFFAOYSA-N 1 1 353.853 3.814 20 30 FHEDMO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000376652556 941372130 /nfs/dbraw/zinc/37/21/30/941372130.db2.gz JRSLMZDPZLUVDL-QUCCMNQESA-N 1 1 367.518 3.586 20 30 FHEDMO N#CC1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000376673623 941377372 /nfs/dbraw/zinc/37/73/72/941377372.db2.gz RRBHCEBVYWQGLO-GRERDSQWSA-N 1 1 368.525 3.528 20 30 FHEDMO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376844829 941449117 /nfs/dbraw/zinc/44/91/17/941449117.db2.gz UZTSTHYOVGQTNL-KGLIPLIRSA-N 1 1 356.495 3.588 20 30 FHEDMO C[C@@H]1C[C@H](CNC(=O)NCC(C)(C)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000376952169 941475825 /nfs/dbraw/zinc/47/58/25/941475825.db2.gz ZKPVXSYRBFGGAB-IEBWSBKVSA-N 1 1 356.514 3.526 20 30 FHEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000376992405 941489082 /nfs/dbraw/zinc/48/90/82/941489082.db2.gz HYLMWALOEHTGIB-UHFFFAOYSA-N 1 1 356.514 3.542 20 30 FHEDMO CC(C)(CCC#N)CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000377172146 941535776 /nfs/dbraw/zinc/53/57/76/941535776.db2.gz PUOOPROSYRRGDO-QGZVFWFLSA-N 1 1 356.514 3.939 20 30 FHEDMO Cc1ccc(C#N)cc1NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472729421 941641015 /nfs/dbraw/zinc/64/10/15/941641015.db2.gz OUBNBPIWLVHJFN-QGZVFWFLSA-N 1 1 350.466 3.899 20 30 FHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000729267092 941705302 /nfs/dbraw/zinc/70/53/02/941705302.db2.gz JCVZYGSKHSPCCC-LJQANCHMSA-N 1 1 350.418 3.697 20 30 FHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC000729267239 941705926 /nfs/dbraw/zinc/70/59/26/941705926.db2.gz NCFZUSSVJGRSJR-HXUWFJFHSA-N 1 1 352.434 3.943 20 30 FHEDMO COC(=O)COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000543044841 941764584 /nfs/dbraw/zinc/76/45/84/941764584.db2.gz CIDPRMQRTBWQIS-UHFFFAOYSA-N 1 1 366.461 3.768 20 30 FHEDMO Cc1c(C#N)cccc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000513309309 941839846 /nfs/dbraw/zinc/83/98/46/941839846.db2.gz AJJSWSPTQDBMDB-UHFFFAOYSA-N 1 1 354.479 3.952 20 30 FHEDMO CCCCc1nnc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000136805880 941872699 /nfs/dbraw/zinc/87/26/99/941872699.db2.gz SHFRPSVFRMEKNB-UHFFFAOYSA-N 1 1 371.510 3.601 20 30 FHEDMO CCCCc1nnc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000136805880 941872704 /nfs/dbraw/zinc/87/27/04/941872704.db2.gz SHFRPSVFRMEKNB-UHFFFAOYSA-N 1 1 371.510 3.601 20 30 FHEDMO C=CCc1cc(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)cc(OC)c1O ZINC000377666977 941883281 /nfs/dbraw/zinc/88/32/81/941883281.db2.gz DCFLELIUJOUHBB-GOSISDBHSA-N 1 1 372.465 3.525 20 30 FHEDMO CN(C)C(=O)Sc1ccc(CO[NH+]=C(N)CCc2ccccc2)cc1 ZINC000176858787 941939532 /nfs/dbraw/zinc/93/95/32/941939532.db2.gz JQIICGFKNFBYAY-UHFFFAOYSA-N 1 1 357.479 3.882 20 30 FHEDMO CCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000513490332 941960003 /nfs/dbraw/zinc/96/00/03/941960003.db2.gz NDPLAUNSWPEMJA-YADHBBJMSA-N 1 1 364.489 3.567 20 30 FHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000728712156 941983359 /nfs/dbraw/zinc/98/33/59/941983359.db2.gz WLGMJLZZMPUSPI-DENIHFKCSA-N 1 1 363.505 3.979 20 30 FHEDMO C[C@H](C#N)Oc1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000728712156 941983362 /nfs/dbraw/zinc/98/33/62/941983362.db2.gz WLGMJLZZMPUSPI-DENIHFKCSA-N 1 1 363.505 3.979 20 30 FHEDMO C[C@H](C#N)Oc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000728712156 941983364 /nfs/dbraw/zinc/98/33/64/941983364.db2.gz WLGMJLZZMPUSPI-DENIHFKCSA-N 1 1 363.505 3.979 20 30 FHEDMO N#CCCOCCN1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000549336875 941999331 /nfs/dbraw/zinc/99/93/31/941999331.db2.gz CFLMAKVEEKIRCK-UHFFFAOYSA-N 1 1 373.497 3.602 20 30 FHEDMO C=CCOc1cccc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000434014031 942039956 /nfs/dbraw/zinc/03/99/56/942039956.db2.gz VXQAKZXTZFUIJT-UNMCSNQZSA-N 1 1 351.494 3.771 20 30 FHEDMO CC[C@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000290354734 942040067 /nfs/dbraw/zinc/04/00/67/942040067.db2.gz QIAZRLPGJGDIKJ-FQEVSTJZSA-N 1 1 352.482 3.525 20 30 FHEDMO C[N@H+](Cc1ccc(C#N)s1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377927314 942072133 /nfs/dbraw/zinc/07/21/33/942072133.db2.gz ZZAMDFPTCVADPL-UHFFFAOYSA-N 1 1 368.506 3.996 20 30 FHEDMO CCN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501960886 942137676 /nfs/dbraw/zinc/13/76/76/942137676.db2.gz KUKBPMXNGUNZLI-PGRDOPGGSA-N 1 1 361.489 3.785 20 30 FHEDMO C=CCC[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000502007142 942166337 /nfs/dbraw/zinc/16/63/37/942166337.db2.gz FLFGQBHVCYQSNI-SJORKVTESA-N 1 1 370.415 3.550 20 30 FHEDMO C=CCC[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000502007142 942166339 /nfs/dbraw/zinc/16/63/39/942166339.db2.gz FLFGQBHVCYQSNI-SJORKVTESA-N 1 1 370.415 3.550 20 30 FHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000502072443 942203141 /nfs/dbraw/zinc/20/31/41/942203141.db2.gz ABHHDKNNRAXZCI-MRXNPFEDSA-N 1 1 354.479 3.885 20 30 FHEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCC(C)(C)CCC#N)C1CC1 ZINC000502104332 942228315 /nfs/dbraw/zinc/22/83/15/942228315.db2.gz ISPYXPOHJFTZRQ-LJQANCHMSA-N 1 1 356.514 3.526 20 30 FHEDMO N#Cc1c(F)cccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000187865109 942240304 /nfs/dbraw/zinc/24/03/04/942240304.db2.gz VQFITYSRDRNHNK-AYHJJNSGSA-N 1 1 363.436 3.623 20 30 FHEDMO C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc(C#N)cc1Cl ZINC000366728242 942248124 /nfs/dbraw/zinc/24/81/24/942248124.db2.gz HFYGKQAUNJNKQC-LBPRGKRZSA-N 1 1 359.882 3.509 20 30 FHEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](CC(F)(F)F)C3)C2=O)cc1 ZINC000420954400 942273767 /nfs/dbraw/zinc/27/37/67/942273767.db2.gz UUSCMKUFBNLYHZ-NVXWUHKLSA-N 1 1 365.399 3.718 20 30 FHEDMO COc1ccc(C[N@H+]2CCC[C@]2(CO)CC(C)C)cc1OCCCC#N ZINC000188037464 942317416 /nfs/dbraw/zinc/31/74/16/942317416.db2.gz JLKVTXOWSDNZBA-OAQYLSRUSA-N 1 1 360.498 3.751 20 30 FHEDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000501265269 942373052 /nfs/dbraw/zinc/37/30/52/942373052.db2.gz HJWRGBHVCVGGCF-IBGZPJMESA-N 1 1 352.434 3.921 20 30 FHEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000501265269 942373057 /nfs/dbraw/zinc/37/30/57/942373057.db2.gz HJWRGBHVCVGGCF-IBGZPJMESA-N 1 1 352.434 3.921 20 30 FHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416172664 942438616 /nfs/dbraw/zinc/43/86/16/942438616.db2.gz XNVFWXUHDXQNQH-GOTSBHOMSA-N 1 1 373.500 3.733 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000501376622 942441564 /nfs/dbraw/zinc/44/15/64/942441564.db2.gz LPAUSQJFIACPPX-CQSZACIVSA-N 1 1 353.304 3.694 20 30 FHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000502453419 942449563 /nfs/dbraw/zinc/44/95/63/942449563.db2.gz ZWMNLOAGUYFWRE-OAHLLOKOSA-N 1 1 355.413 3.551 20 30 FHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000502453419 942449569 /nfs/dbraw/zinc/44/95/69/942449569.db2.gz ZWMNLOAGUYFWRE-OAHLLOKOSA-N 1 1 355.413 3.551 20 30 FHEDMO C=CC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1cccs1 ZINC000501463928 942487484 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FHEDMO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548772 942527785 /nfs/dbraw/zinc/52/77/85/942527785.db2.gz PAXXLGGYRUZPKE-QGZVFWFLSA-N 1 1 357.457 3.625 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000513816500 942534495 /nfs/dbraw/zinc/53/44/95/942534495.db2.gz OUHJOVPXBZHIDN-SFTDATJTSA-N 1 1 351.490 3.953 20 30 FHEDMO N#CCCC[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000416238708 942537964 /nfs/dbraw/zinc/53/79/64/942537964.db2.gz ISIUMUOHFRZNRQ-JOCHJYFZSA-N 1 1 361.489 3.986 20 30 FHEDMO CC(C)(C)[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000120222755 942573363 /nfs/dbraw/zinc/57/33/63/942573363.db2.gz KFORZBYFDMIFMZ-FQEVSTJZSA-N 1 1 352.478 3.793 20 30 FHEDMO COc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1OCCCC#N ZINC000378344838 942613326 /nfs/dbraw/zinc/61/33/26/942613326.db2.gz DBCFVSAFFSDVKW-UHFFFAOYSA-N 1 1 358.482 3.770 20 30 FHEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000066812954 942693452 /nfs/dbraw/zinc/69/34/52/942693452.db2.gz HQFAYYYYGOTGPR-UHFFFAOYSA-N 1 1 354.885 3.955 20 30 FHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434495874 942712681 /nfs/dbraw/zinc/71/26/81/942712681.db2.gz ZUTJOGLTEPJIHK-KRWDZBQOSA-N 1 1 357.473 3.678 20 30 FHEDMO CC1CCC([N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]2CCCO2)CC1 ZINC000152977428 942764747 /nfs/dbraw/zinc/76/47/47/942764747.db2.gz WNXKPLYUAQWUHP-PREGVCBESA-N 1 1 361.511 3.618 20 30 FHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190181772 942854995 /nfs/dbraw/zinc/85/49/95/942854995.db2.gz JMIYHUIYYUWKCF-WFASDCNBSA-N 1 1 353.388 3.796 20 30 FHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190181772 942854997 /nfs/dbraw/zinc/85/49/97/942854997.db2.gz JMIYHUIYYUWKCF-WFASDCNBSA-N 1 1 353.388 3.796 20 30 FHEDMO CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1)C1CC1 ZINC000509986030 942881513 /nfs/dbraw/zinc/88/15/13/942881513.db2.gz ZDELUUJGXFDXFI-UHFFFAOYSA-N 1 1 362.477 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943044468 /nfs/dbraw/zinc/04/44/68/943044468.db2.gz XWBHGBWGJIRPNR-UHFFFAOYSA-N 1 1 365.864 3.617 20 30 FHEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000434907531 943044474 /nfs/dbraw/zinc/04/44/74/943044474.db2.gz XWBHGBWGJIRPNR-UHFFFAOYSA-N 1 1 365.864 3.617 20 30 FHEDMO O=c1ccccn1C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1 ZINC000503244037 943082404 /nfs/dbraw/zinc/08/24/04/943082404.db2.gz SOIPPSHHFGWKNS-NRFANRHFSA-N 1 1 362.860 3.884 20 30 FHEDMO Cc1cccc(-c2n[nH]cc2C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000434984054 943085335 /nfs/dbraw/zinc/08/53/35/943085335.db2.gz VDSAYSJLHDGVJL-QFIPXVFZSA-N 1 1 371.488 3.768 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000272054540 943088502 /nfs/dbraw/zinc/08/85/02/943088502.db2.gz YMFMVPONRUREHA-GCJKJVERSA-N 1 1 373.500 3.882 20 30 FHEDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000503262782 943091605 /nfs/dbraw/zinc/09/16/05/943091605.db2.gz YEGCMUUCKUKXRS-OAQYLSRUSA-N 1 1 361.489 3.940 20 30 FHEDMO C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272193858 943110927 /nfs/dbraw/zinc/11/09/27/943110927.db2.gz BZJUXPOGBRIIBJ-RXVVDRJESA-N 1 1 373.500 3.882 20 30 FHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000435051951 943125021 /nfs/dbraw/zinc/12/50/21/943125021.db2.gz YPXQQOFXCSMPAQ-IEBWSBKVSA-N 1 1 354.837 3.915 20 30 FHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000435051951 943125022 /nfs/dbraw/zinc/12/50/22/943125022.db2.gz YPXQQOFXCSMPAQ-IEBWSBKVSA-N 1 1 354.837 3.915 20 30 FHEDMO N#Cc1c(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cn2ccccc12 ZINC000503366803 943142079 /nfs/dbraw/zinc/14/20/79/943142079.db2.gz KICGMGOQFNZSKQ-QGZVFWFLSA-N 1 1 359.477 3.723 20 30 FHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000272431080 943154655 /nfs/dbraw/zinc/15/46/55/943154655.db2.gz OYZROISHNACZEQ-SFHVURJKSA-N 1 1 368.525 3.896 20 30 FHEDMO C[N@H+]1CC[C@@]2(CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000430127107 943221597 /nfs/dbraw/zinc/22/15/97/943221597.db2.gz OPQWZRSUXKDROU-HSZRJFAPSA-N 1 1 361.489 3.665 20 30 FHEDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1c1ccc(Cl)cc1 ZINC000430127359 943221908 /nfs/dbraw/zinc/22/19/08/943221908.db2.gz PFNOSYFAUTXOHA-DLBZAZTESA-N 1 1 360.866 3.662 20 30 FHEDMO C=C(C)Cn1c(C2CC2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514743509 943254188 /nfs/dbraw/zinc/25/41/88/943254188.db2.gz VUXLHJUYKYVSQR-LJQANCHMSA-N 1 1 365.525 3.690 20 30 FHEDMO C[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000431917974 943305105 /nfs/dbraw/zinc/30/51/05/943305105.db2.gz CHBWKEALRMQVCB-QWFCFKBJSA-N 1 1 356.514 3.841 20 30 FHEDMO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425366965 943379415 /nfs/dbraw/zinc/37/94/15/943379415.db2.gz QZZXMOLXODFBRF-INIZCTEOSA-N 1 1 368.481 3.516 20 30 FHEDMO C=CC[C@@H](C)C(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3scnc3C)C2)C1 ZINC001269961529 943415119 /nfs/dbraw/zinc/41/51/19/943415119.db2.gz ZHYRRXBLXKZVBU-OXQOHEQNSA-N 1 1 361.555 3.868 20 30 FHEDMO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000566438270 943418012 /nfs/dbraw/zinc/41/80/12/943418012.db2.gz YQAYMZWADCURKG-QGZVFWFLSA-N 1 1 365.452 3.879 20 30 FHEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(F)cc3Cl)C2=O)cc1 ZINC000503945151 943429507 /nfs/dbraw/zinc/42/95/07/943429507.db2.gz MFRQCYWOJCADQE-SFHVURJKSA-N 1 1 357.816 3.636 20 30 FHEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H](c3cccnc3)C2)c2ccccc21 ZINC000584717733 943479590 /nfs/dbraw/zinc/47/95/90/943479590.db2.gz VILLWXDBVLYNDU-SFHVURJKSA-N 1 1 358.445 3.622 20 30 FHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000584842978 943747913 /nfs/dbraw/zinc/74/79/13/943747913.db2.gz LCTAHLSTGBUISZ-LIVBEALHSA-N 1 1 355.438 3.636 20 30 FHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000584842978 943747918 /nfs/dbraw/zinc/74/79/18/943747918.db2.gz LCTAHLSTGBUISZ-LIVBEALHSA-N 1 1 355.438 3.636 20 30 FHEDMO C=CCn1cc(C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000424294296 943823386 /nfs/dbraw/zinc/82/33/86/943823386.db2.gz KIXQJXKAPIGQNW-QGZVFWFLSA-N 1 1 361.287 3.784 20 30 FHEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2cc(F)cc(Br)c2)nn1 ZINC000424298736 943826375 /nfs/dbraw/zinc/82/63/75/943826375.db2.gz TVEGECJRDUHGSM-HNNXBMFYSA-N 1 1 353.239 3.607 20 30 FHEDMO CC[N@@H+](Cc1cnn(C)c1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092438155 943839110 /nfs/dbraw/zinc/83/91/10/943839110.db2.gz RRFHMVXAIJKNSL-UHFFFAOYSA-N 1 1 360.461 3.893 20 30 FHEDMO N#CCCC1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000563065634 943849237 /nfs/dbraw/zinc/84/92/37/943849237.db2.gz AQEAGLISKVDDJZ-UHFFFAOYSA-N 1 1 365.231 3.608 20 30 FHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1Cl ZINC000437504572 943867936 /nfs/dbraw/zinc/86/79/36/943867936.db2.gz MBPGRSPBRWONCH-SJORKVTESA-N 1 1 363.914 3.900 20 30 FHEDMO C[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000458850487 943930660 /nfs/dbraw/zinc/93/06/60/943930660.db2.gz UPVCGIZDEHOBPW-NQIIRXRSSA-N 1 1 368.525 3.937 20 30 FHEDMO COCC[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccc(C#N)cc1 ZINC000437583987 943944968 /nfs/dbraw/zinc/94/49/68/943944968.db2.gz YPXBVHMWLWJBIG-UHFFFAOYSA-N 1 1 352.463 3.658 20 30 FHEDMO C=CCn1c(-c2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000515559741 944010883 /nfs/dbraw/zinc/01/08/83/944010883.db2.gz VAWXNPRNUDVNLA-NRFANRHFSA-N 1 1 373.504 3.957 20 30 FHEDMO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000506100747 944021097 /nfs/dbraw/zinc/02/10/97/944021097.db2.gz HLOBRBLSLBMPLA-UHFFFAOYSA-N 1 1 371.488 3.575 20 30 FHEDMO Cc1ccc(-c2n[nH]cc2CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000506100747 944021105 /nfs/dbraw/zinc/02/11/05/944021105.db2.gz HLOBRBLSLBMPLA-UHFFFAOYSA-N 1 1 371.488 3.575 20 30 FHEDMO Cc1csc(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1C#N ZINC000515667772 944096088 /nfs/dbraw/zinc/09/60/88/944096088.db2.gz TXJGCPBENLOPDQ-LBPRGKRZSA-N 1 1 360.508 3.558 20 30 FHEDMO Cc1csc(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1C#N ZINC000515667772 944096094 /nfs/dbraw/zinc/09/60/94/944096094.db2.gz TXJGCPBENLOPDQ-LBPRGKRZSA-N 1 1 360.508 3.558 20 30 FHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000517205638 944104729 /nfs/dbraw/zinc/10/47/29/944104729.db2.gz YCVJTTWRXUAKOR-QFIPXVFZSA-N 1 1 361.489 3.983 20 30 FHEDMO N#Cc1ccc(SCC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000436230219 944119587 /nfs/dbraw/zinc/11/95/87/944119587.db2.gz APXGBPMOEYRUFH-SFHVURJKSA-N 1 1 357.523 3.564 20 30 FHEDMO C[C@H]([NH2+]C1CCN(CC#N)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000925005197 944137397 /nfs/dbraw/zinc/13/73/97/944137397.db2.gz ZLXOUGCBFMJXAP-LBPRGKRZSA-N 1 1 372.257 3.507 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]2Cc2ccccc2)c1C ZINC000437826840 944151290 /nfs/dbraw/zinc/15/12/90/944151290.db2.gz YIAOOVHLNLMWEY-NRFANRHFSA-N 1 1 361.489 3.867 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]2Cc2ccccc2)c1C ZINC000437826840 944151293 /nfs/dbraw/zinc/15/12/93/944151293.db2.gz YIAOOVHLNLMWEY-NRFANRHFSA-N 1 1 361.489 3.867 20 30 FHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC1(O)CCCCCC1 ZINC000426249806 944236106 /nfs/dbraw/zinc/23/61/06/944236106.db2.gz QXNLLMZSNAHAIY-UHFFFAOYSA-N 1 1 363.889 3.557 20 30 FHEDMO CC[N@@H+](CC(=O)NCCC#N)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000759792050 944253900 /nfs/dbraw/zinc/25/39/00/944253900.db2.gz LTPFFHDCJOMSLQ-QGZVFWFLSA-N 1 1 365.477 3.775 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000425532171 944259274 /nfs/dbraw/zinc/25/92/74/944259274.db2.gz IMYZMPGTWMMHLJ-ZDUSSCGKSA-N 1 1 354.479 3.525 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000425532171 944259279 /nfs/dbraw/zinc/25/92/79/944259279.db2.gz IMYZMPGTWMMHLJ-ZDUSSCGKSA-N 1 1 354.479 3.525 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000425533827 944259951 /nfs/dbraw/zinc/25/99/51/944259951.db2.gz LHJJJDMFDZNXFL-OAHLLOKOSA-N 1 1 360.454 3.554 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000425533827 944259957 /nfs/dbraw/zinc/25/99/57/944259957.db2.gz LHJJJDMFDZNXFL-OAHLLOKOSA-N 1 1 360.454 3.554 20 30 FHEDMO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)CC2 ZINC000550156886 944312082 /nfs/dbraw/zinc/31/20/82/944312082.db2.gz PLKBWWFABBBQRM-FQEVSTJZSA-N 1 1 363.436 3.641 20 30 FHEDMO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)CC2 ZINC000550156886 944312090 /nfs/dbraw/zinc/31/20/90/944312090.db2.gz PLKBWWFABBBQRM-FQEVSTJZSA-N 1 1 363.436 3.641 20 30 FHEDMO C=CCn1c(=S)n(C[NH+]2C[C@H]3CCCC[C@@H]3C2)nc1-c1ccccn1 ZINC000162614466 944323785 /nfs/dbraw/zinc/32/37/85/944323785.db2.gz NMMSWTRHYVUNMD-HZPDHXFCSA-N 1 1 355.511 3.742 20 30 FHEDMO Cc1cccc(S(=O)(=O)CCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000184252784 944352540 /nfs/dbraw/zinc/35/25/40/944352540.db2.gz BPHWTLXPCXCVGW-UHFFFAOYSA-N 1 1 368.502 3.695 20 30 FHEDMO Cc1cccc(S(=O)(=O)CCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000184252784 944352548 /nfs/dbraw/zinc/35/25/48/944352548.db2.gz BPHWTLXPCXCVGW-UHFFFAOYSA-N 1 1 368.502 3.695 20 30 FHEDMO COc1ccc(CN[C@H](C)C[NH+]2CCC(C)CC2)cc1OCCCC#N ZINC000517588684 944420907 /nfs/dbraw/zinc/42/09/07/944420907.db2.gz PHQJRNVVOVGOFK-GOSISDBHSA-N 1 1 359.514 3.588 20 30 FHEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H](c4ccccc4F)C3)C2=O)cc1 ZINC000550211910 944435542 /nfs/dbraw/zinc/43/55/42/944435542.db2.gz PVFAWEVNXLOMKK-UWJYYQICSA-N 1 1 363.436 3.682 20 30 FHEDMO CC[N@H+]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000517681749 944509904 /nfs/dbraw/zinc/50/99/04/944509904.db2.gz SWAKPXGZSYDRTQ-UHFFFAOYSA-N 1 1 363.461 3.713 20 30 FHEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000505875758 944597025 /nfs/dbraw/zinc/59/70/25/944597025.db2.gz AOSCRYUCHOATHW-UHFFFAOYSA-N 1 1 374.525 3.875 20 30 FHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000516242586 944612020 /nfs/dbraw/zinc/61/20/20/944612020.db2.gz QUJHRAXZPPUKLN-KSZLIROESA-N 1 1 361.505 3.890 20 30 FHEDMO COc1ccccc1C[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439443733 944620968 /nfs/dbraw/zinc/62/09/68/944620968.db2.gz WPPQDQROIDSSQI-UHFFFAOYSA-N 1 1 355.869 3.538 20 30 FHEDMO CC[N@H+](CC(=O)c1cc(C)n(CCOC)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000085786871 944621188 /nfs/dbraw/zinc/62/11/88/944621188.db2.gz YTIHBSRQOBZERT-KRWDZBQOSA-N 1 1 367.493 3.889 20 30 FHEDMO CC[N@@H+](CC(=O)c1cc(C)n(CCOC)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000085786871 944621198 /nfs/dbraw/zinc/62/11/98/944621198.db2.gz YTIHBSRQOBZERT-KRWDZBQOSA-N 1 1 367.493 3.889 20 30 FHEDMO Cc1sc(NC(=O)C[N@H+](C)CCCOc2ccccc2C)c(C#N)c1C ZINC000426406739 944693096 /nfs/dbraw/zinc/69/30/96/944693096.db2.gz RBTMSZNCJVHQSO-UHFFFAOYSA-N 1 1 371.506 3.884 20 30 FHEDMO Cc1sc(NC(=O)C[N@@H+](C)CCCOc2ccccc2C)c(C#N)c1C ZINC000426406739 944693098 /nfs/dbraw/zinc/69/30/98/944693098.db2.gz RBTMSZNCJVHQSO-UHFFFAOYSA-N 1 1 371.506 3.884 20 30 FHEDMO COc1ccccc1/C=C\CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000506259958 944710126 /nfs/dbraw/zinc/71/01/26/944710126.db2.gz SGIGCOHKQDTCMO-DAXSKMNVSA-N 1 1 361.489 3.788 20 30 FHEDMO COc1ccccc1/C=C\C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506259958 944710131 /nfs/dbraw/zinc/71/01/31/944710131.db2.gz SGIGCOHKQDTCMO-DAXSKMNVSA-N 1 1 361.489 3.788 20 30 FHEDMO COc1ccccc1/C=C\C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506259958 944710136 /nfs/dbraw/zinc/71/01/36/944710136.db2.gz SGIGCOHKQDTCMO-DAXSKMNVSA-N 1 1 361.489 3.788 20 30 FHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000053741193 944814450 /nfs/dbraw/zinc/81/44/50/944814450.db2.gz FDMXRIJWPKYILI-HNNXBMFYSA-N 1 1 371.868 3.940 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000053741194 944814643 /nfs/dbraw/zinc/81/46/43/944814643.db2.gz FDMXRIJWPKYILI-OAHLLOKOSA-N 1 1 371.868 3.940 20 30 FHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426463636 944890341 /nfs/dbraw/zinc/89/03/41/944890341.db2.gz WMXUNMDOLRAVMS-SFHVURJKSA-N 1 1 350.428 3.721 20 30 FHEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000432026182 944930994 /nfs/dbraw/zinc/93/09/94/944930994.db2.gz MOMADEWRRIVTHX-UTKZUKDTSA-N 1 1 372.415 3.803 20 30 FHEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000432026182 944931000 /nfs/dbraw/zinc/93/10/00/944931000.db2.gz MOMADEWRRIVTHX-UTKZUKDTSA-N 1 1 372.415 3.803 20 30 FHEDMO CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C)nn3C)C[C@H]21 ZINC001270164812 944963481 /nfs/dbraw/zinc/96/34/81/944963481.db2.gz BRHGVFGAMJPQQK-AZUAARDMSA-N 1 1 360.546 3.512 20 30 FHEDMO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)nn3C)C[C@H]21 ZINC001270164812 944963491 /nfs/dbraw/zinc/96/34/91/944963491.db2.gz BRHGVFGAMJPQQK-AZUAARDMSA-N 1 1 360.546 3.512 20 30 FHEDMO N#Cc1cscc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000432043058 944963622 /nfs/dbraw/zinc/96/36/22/944963622.db2.gz QZPIPKWSXUKMOF-UHFFFAOYSA-N 1 1 361.470 3.731 20 30 FHEDMO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)ccc1OC(C)C ZINC000506342738 944981358 /nfs/dbraw/zinc/98/13/58/944981358.db2.gz UGFZOUBISVESQP-UHFFFAOYSA-N 1 1 365.477 3.676 20 30 FHEDMO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000426134882 945003298 /nfs/dbraw/zinc/00/32/98/945003298.db2.gz BDUYYKJFNWMKAR-UHFFFAOYSA-N 1 1 354.841 3.561 20 30 FHEDMO CCC1(CC)[C@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1OC ZINC001167766455 945014746 /nfs/dbraw/zinc/01/47/46/945014746.db2.gz MEYVCVNWGJKJHX-CVEARBPZSA-N 1 1 363.527 3.701 20 30 FHEDMO CCC1(CC)[C@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1OC ZINC001167766455 945014756 /nfs/dbraw/zinc/01/47/56/945014756.db2.gz MEYVCVNWGJKJHX-CVEARBPZSA-N 1 1 363.527 3.701 20 30 FHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC001167766461 945015128 /nfs/dbraw/zinc/01/51/28/945015128.db2.gz MEYVCVNWGJKJHX-JKSUJKDBSA-N 1 1 363.527 3.701 20 30 FHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC001167766461 945015134 /nfs/dbraw/zinc/01/51/34/945015134.db2.gz MEYVCVNWGJKJHX-JKSUJKDBSA-N 1 1 363.527 3.701 20 30 FHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)s1 ZINC000511755336 945023784 /nfs/dbraw/zinc/02/37/84/945023784.db2.gz QDLAVBQMWGMWHF-SFHVURJKSA-N 1 1 353.491 3.650 20 30 FHEDMO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000437104931 945026279 /nfs/dbraw/zinc/02/62/79/945026279.db2.gz AUOQJOLJWIXVKX-HJNYFJLDSA-N 1 1 350.462 3.507 20 30 FHEDMO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000437104931 945026289 /nfs/dbraw/zinc/02/62/89/945026289.db2.gz AUOQJOLJWIXVKX-HJNYFJLDSA-N 1 1 350.462 3.507 20 30 FHEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000120817000 945032808 /nfs/dbraw/zinc/03/28/08/945032808.db2.gz XXHHWYRBSUICNG-SFHVURJKSA-N 1 1 350.418 3.675 20 30 FHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000120817000 945032816 /nfs/dbraw/zinc/03/28/16/945032816.db2.gz XXHHWYRBSUICNG-SFHVURJKSA-N 1 1 350.418 3.675 20 30 FHEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437846928 945033755 /nfs/dbraw/zinc/03/37/55/945033755.db2.gz RZLMRFWURRAXFO-IBGZPJMESA-N 1 1 369.509 3.629 20 30 FHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000506368611 945056980 /nfs/dbraw/zinc/05/69/80/945056980.db2.gz JLOKWCZGWDQKKB-INIZCTEOSA-N 1 1 372.513 3.977 20 30 FHEDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000330141529 945375131 /nfs/dbraw/zinc/37/51/31/945375131.db2.gz JREFZDQITQEQFB-RYRKJORJSA-N 1 1 373.545 3.718 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000440326973 945405428 /nfs/dbraw/zinc/40/54/28/945405428.db2.gz IDRQZTXZOWVQFI-HKUYNNGSSA-N 1 1 372.534 3.929 20 30 FHEDMO [O-]C(=[NH+][C@@H]1C[C@H]1c1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330240893 945419293 /nfs/dbraw/zinc/41/92/93/945419293.db2.gz BPYHXIPEJNUXMS-VQTJNVASSA-N 1 1 364.493 3.869 20 30 FHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000330241949 945420543 /nfs/dbraw/zinc/42/05/43/945420543.db2.gz FWHPMKYIRNKABZ-VXGBXAGGSA-N 1 1 350.875 3.723 20 30 FHEDMO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000330241949 945420551 /nfs/dbraw/zinc/42/05/51/945420551.db2.gz FWHPMKYIRNKABZ-VXGBXAGGSA-N 1 1 350.875 3.723 20 30 FHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000330241949 945420554 /nfs/dbraw/zinc/42/05/54/945420554.db2.gz FWHPMKYIRNKABZ-VXGBXAGGSA-N 1 1 350.875 3.723 20 30 FHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)C1 ZINC000330254312 945426814 /nfs/dbraw/zinc/42/68/14/945426814.db2.gz JJGNOTAPLQCUES-HUUCEWRRSA-N 1 1 372.513 3.928 20 30 FHEDMO CC(C)[N@H+]1CCCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000519450812 945438277 /nfs/dbraw/zinc/43/82/77/945438277.db2.gz JYPRWHNUADMCHV-INIZCTEOSA-N 1 1 360.527 3.886 20 30 FHEDMO O=C(N[C@@H]1Cc2cccc(O)c2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000330276864 945440510 /nfs/dbraw/zinc/44/05/10/945440510.db2.gz NNGHJHCMCIWLTQ-RTBURBONSA-N 1 1 350.462 3.728 20 30 FHEDMO C[C@@H]1C[NH+](Cc2ccccc2NCc2cccc(F)c2C#N)C[C@@H](C)O1 ZINC000427532156 945483764 /nfs/dbraw/zinc/48/37/64/945483764.db2.gz WUOCRYRPNUENPH-HZPDHXFCSA-N 1 1 353.441 3.919 20 30 FHEDMO Cc1[nH+]ccn1C[C@H]1CCCN1c1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000301587327 945506783 /nfs/dbraw/zinc/50/67/83/945506783.db2.gz PKDODKBSFGZEMF-QGZVFWFLSA-N 1 1 370.460 3.842 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCc3c(C)cccc3C2)c1 ZINC000729478030 945529533 /nfs/dbraw/zinc/52/95/33/945529533.db2.gz PNOOEOKSCLRPQQ-UHFFFAOYSA-N 1 1 361.489 3.917 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCc3c(C)cccc3C2)c1 ZINC000729478030 945529536 /nfs/dbraw/zinc/52/95/36/945529536.db2.gz PNOOEOKSCLRPQQ-UHFFFAOYSA-N 1 1 361.489 3.917 20 30 FHEDMO Cc1cnc(C2CC[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC2)s1 ZINC000330321559 945564090 /nfs/dbraw/zinc/56/40/90/945564090.db2.gz GBKVUCCNKDKSMT-QGZVFWFLSA-N 1 1 371.506 3.591 20 30 FHEDMO C[C@@H](c1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC001126007544 945574801 /nfs/dbraw/zinc/57/48/01/945574801.db2.gz GYQZJETZSFWILK-UWJYYQICSA-N 1 1 363.461 3.716 20 30 FHEDMO C=CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1 ZINC000027777224 945789502 /nfs/dbraw/zinc/78/95/02/945789502.db2.gz DOSZRYBYJOWCPM-UHFFFAOYSA-N 1 1 369.421 3.620 20 30 FHEDMO N#CC(CC[N@@H+]1CC[C@](O)(C(F)(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000193063205 945849391 /nfs/dbraw/zinc/84/93/91/945849391.db2.gz MGGIPJHVUPFKFS-HXUWFJFHSA-N 1 1 374.406 3.885 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000519904471 945889063 /nfs/dbraw/zinc/88/90/63/945889063.db2.gz MDVQHWIMDSNECX-NRFANRHFSA-N 1 1 359.489 3.667 20 30 FHEDMO CCN(C[C@H](C)C#N)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000301639469 945889406 /nfs/dbraw/zinc/88/94/06/945889406.db2.gz YBJIEERYSJQWTK-CYBMUJFWSA-N 1 1 357.527 3.890 20 30 FHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000519923677 945901511 /nfs/dbraw/zinc/90/15/11/945901511.db2.gz FZKKQKNQWWKUIG-RBUKOAKNSA-N 1 1 370.541 3.989 20 30 FHEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000661328347 946000217 /nfs/dbraw/zinc/00/02/17/946000217.db2.gz IYGJEEINEUDGGY-RTWAWAEBSA-N 1 1 355.526 3.595 20 30 FHEDMO C[C@@H]1CCN(C(=O)NCC2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000440994963 946096909 /nfs/dbraw/zinc/09/69/09/946096909.db2.gz XUQRZQRUOJQMAL-XEVCZEQESA-N 1 1 368.525 3.622 20 30 FHEDMO CCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000520171696 946224246 /nfs/dbraw/zinc/22/42/46/946224246.db2.gz ZJDZIMKOHKMKGS-SIKLNZKXSA-N 1 1 350.462 3.697 20 30 FHEDMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cccc(F)c3C#N)ccc2NC1=O ZINC000428349339 946278941 /nfs/dbraw/zinc/27/89/41/946278941.db2.gz BAAKXSMUIMVHCZ-SGTLLEGYSA-N 1 1 353.397 3.658 20 30 FHEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC#Cc3ccccc3Cl)C2)nc1 ZINC000441269548 946362454 /nfs/dbraw/zinc/36/24/54/946362454.db2.gz ZHOFZPKAXMJBNC-GOSISDBHSA-N 1 1 367.880 3.746 20 30 FHEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)nc1 ZINC000441269548 946362466 /nfs/dbraw/zinc/36/24/66/946362466.db2.gz ZHOFZPKAXMJBNC-GOSISDBHSA-N 1 1 367.880 3.746 20 30 FHEDMO C[C@H](CNc1nc(C(F)(F)F)ccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000609669251 946374710 /nfs/dbraw/zinc/37/47/10/946374710.db2.gz BHXMDTVHRCNGJU-LLVKDONJSA-N 1 1 366.412 3.892 20 30 FHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(CCc2cccs2)CC1 ZINC000487359026 946376180 /nfs/dbraw/zinc/37/61/80/946376180.db2.gz DDSIQJPEMWUURA-UHFFFAOYSA-N 1 1 353.535 3.910 20 30 FHEDMO N#CC[C@H](CC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC000475112112 946423069 /nfs/dbraw/zinc/42/30/69/946423069.db2.gz DJGYBWMOMKKDJC-LJQANCHMSA-N 1 1 367.518 3.522 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000127189844 946423524 /nfs/dbraw/zinc/42/35/24/946423524.db2.gz CNOXNOPYBWKPAV-CVEARBPZSA-N 1 1 359.901 3.938 20 30 FHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441349622 946501483 /nfs/dbraw/zinc/50/14/83/946501483.db2.gz PLRBUMOBZDNHBX-HRAATJIYSA-N 1 1 362.477 3.788 20 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/nfs/dbraw/zinc/58/32/36/946583236.db2.gz FWXNLYRDOCYDAY-FQEVSTJZSA-N 1 1 363.505 3.959 20 30 FHEDMO CCC[N@H+]1CC[C@@H](CNCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905425 946583240 /nfs/dbraw/zinc/58/32/40/946583240.db2.gz FWXNLYRDOCYDAY-FQEVSTJZSA-N 1 1 363.505 3.959 20 30 FHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000783595463 946590509 /nfs/dbraw/zinc/59/05/09/946590509.db2.gz PZSKVCZXXHAERM-MRXNPFEDSA-N 1 1 363.383 3.751 20 30 FHEDMO C=CCn1c(C2CC2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000508493944 946700183 /nfs/dbraw/zinc/70/01/83/946700183.db2.gz ZUSWZZZXZHWYJM-HXUWFJFHSA-N 1 1 365.525 3.832 20 30 FHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000441419589 946706985 /nfs/dbraw/zinc/70/69/85/946706985.db2.gz UAKAUJVTRKMPLT-LJQANCHMSA-N 1 1 352.409 3.943 20 30 FHEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H](O)COc1ccccc1C#N ZINC001168074472 946767123 /nfs/dbraw/zinc/76/71/23/946767123.db2.gz UZQYTSGSRVEDDY-RTWAWAEBSA-N 1 1 352.478 3.641 20 30 FHEDMO Cc1c(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cnc2ccccc12 ZINC000328612217 946957009 /nfs/dbraw/zinc/95/70/09/946957009.db2.gz PEFMZLLTOMJQMO-QGZVFWFLSA-N 1 1 367.493 3.881 20 30 FHEDMO O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000328612283 946957040 /nfs/dbraw/zinc/95/70/40/946957040.db2.gz PFJPGUQHGFPNES-WOIUINJBSA-N 1 1 364.493 3.526 20 30 FHEDMO CC(C)(C)Cc1nc2cc(NC(=O)N3CC[NH+](C4CC4)CC3)ccc2o1 ZINC000328619409 946960137 /nfs/dbraw/zinc/96/01/37/946960137.db2.gz VWWDNWLCZRLUFW-UHFFFAOYSA-N 1 1 356.470 3.742 20 30 FHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000511918023 946981122 /nfs/dbraw/zinc/98/11/22/946981122.db2.gz YKPGCIWRSIHAEP-AWEZNQCLSA-N 1 1 355.935 3.974 20 30 FHEDMO C[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@H]1c1ccc(Cl)cc1 ZINC000328691904 946990507 /nfs/dbraw/zinc/99/05/07/946990507.db2.gz FBOLVZXFVLCVPH-MAUKXSAKSA-N 1 1 358.873 3.623 20 30 FHEDMO C[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@H]1c1ccc(Cl)cc1 ZINC000328691904 946990508 /nfs/dbraw/zinc/99/05/08/946990508.db2.gz FBOLVZXFVLCVPH-MAUKXSAKSA-N 1 1 358.873 3.623 20 30 FHEDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1coc(C2CCOCC2)n1 ZINC000328698802 946994494 /nfs/dbraw/zinc/99/44/94/946994494.db2.gz VGLVPXBNGPTVPL-GOSISDBHSA-N 1 1 369.465 3.538 20 30 FHEDMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CCSc3ccccc32)CC1 ZINC000328709923 946999946 /nfs/dbraw/zinc/99/99/46/946999946.db2.gz BNLGDPLVTYPDKW-INIZCTEOSA-N 1 1 356.495 3.625 20 30 FHEDMO [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000328731651 947026600 /nfs/dbraw/zinc/02/66/00/947026600.db2.gz IPCXNACYPKOECO-AKHDSKFASA-N 1 1 350.466 3.523 20 30 FHEDMO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)n1 ZINC000328808835 947030821 /nfs/dbraw/zinc/03/08/21/947030821.db2.gz LUVPJWWXFUZWNB-AEFFLSMTSA-N 1 1 354.454 3.592 20 30 FHEDMO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)n1 ZINC000328808835 947030826 /nfs/dbraw/zinc/03/08/26/947030826.db2.gz LUVPJWWXFUZWNB-AEFFLSMTSA-N 1 1 354.454 3.592 20 30 FHEDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ncoc3C3CC3)c2)C[C@H](C)O1 ZINC000328818967 947035820 /nfs/dbraw/zinc/03/58/20/947035820.db2.gz DSNFZQWTKRLBBF-KBPBESRZSA-N 1 1 355.438 3.798 20 30 FHEDMO COc1cccc([C@@H]2[C@H](NC(=O)[C@@]3(C)CCC(=O)NC3)CC[N@H+]2C2CC2)c1 ZINC000328821858 947038333 /nfs/dbraw/zinc/03/83/33/947038333.db2.gz OYTUMBWXHVHWBA-QFUCXCTJSA-N 1 1 371.481 3.686 20 30 FHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1 ZINC000328823730 947039965 /nfs/dbraw/zinc/03/99/65/947039965.db2.gz IMMGQYQFHAJHQS-BPQIPLTHSA-N 1 1 363.465 3.918 20 30 FHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000444619197 947051476 /nfs/dbraw/zinc/05/14/76/947051476.db2.gz JBKWUNSDCNYVOP-DHIUTWEWSA-N 1 1 373.500 3.733 20 30 FHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000728710058 947056320 /nfs/dbraw/zinc/05/63/20/947056320.db2.gz MJROBYJHOLQNIK-UHFFFAOYSA-N 1 1 358.445 3.524 20 30 FHEDMO 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FHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000329996994 941060321 /nfs/dbraw/zinc/06/03/21/941060321.db2.gz PTWSKKAGQQGVQJ-UHFFFAOYSA-N 1 1 369.391 3.648 20 30 FHEDMO Cc1sc(NC(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)c(C#N)c1C ZINC000177085957 941099114 /nfs/dbraw/zinc/09/91/14/941099114.db2.gz GBIWAFJIDDIPDQ-UHFFFAOYSA-N 1 1 369.490 3.793 20 30 FHEDMO Cc1sc(NC(=O)C[N@H+](Cc2cccc(O)c2)CC2CC2)c(C#N)c1C ZINC000177085957 941099116 /nfs/dbraw/zinc/09/91/16/941099116.db2.gz GBIWAFJIDDIPDQ-UHFFFAOYSA-N 1 1 369.490 3.793 20 30 FHEDMO Cc1cc(C(=O)NC2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)c(C)o1 ZINC000177108861 941100714 /nfs/dbraw/zinc/10/07/14/941100714.db2.gz BUAHZWKTZWPOPA-UHFFFAOYSA-N 1 1 370.880 3.796 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H](C)C2(C)CC2)c1C#N ZINC000177229062 941109565 /nfs/dbraw/zinc/10/95/65/941109565.db2.gz FCZKKXUKAASFBI-MRXNPFEDSA-N 1 1 368.481 3.677 20 30 FHEDMO N#Cc1ccc(-c2nnc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)o2)cc1 ZINC000181190607 941112415 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363.461 3.926 20 30 FHEDMO CN(Cc1ccc(F)c(C#N)c1Cl)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377700029 941910875 /nfs/dbraw/zinc/91/08/75/941910875.db2.gz RRAIQLIOZYDJRU-UHFFFAOYSA-N 1 1 358.848 3.847 20 30 FHEDMO N#Cc1c(F)ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1Cl ZINC000377703998 941918808 /nfs/dbraw/zinc/91/88/08/941918808.db2.gz XDOHFFWEPOTDAU-ZFWWWQNUSA-N 1 1 350.846 3.620 20 30 FHEDMO COc1cc(C[N@@H+](C)CCOc2cccc(C#N)c2)c(SC)cc1OC ZINC000513467210 941943914 /nfs/dbraw/zinc/94/39/14/941943914.db2.gz RYEOAZNYZYCLLK-UHFFFAOYSA-N 1 1 372.490 3.808 20 30 FHEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)o2)cc1 ZINC000377733473 941944621 /nfs/dbraw/zinc/94/46/21/941944621.db2.gz WUFQITKOGAYLGS-JOCHJYFZSA-N 1 1 372.428 3.578 20 30 FHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)o2)cc1 ZINC000377733473 941944627 /nfs/dbraw/zinc/94/46/27/941944627.db2.gz WUFQITKOGAYLGS-JOCHJYFZSA-N 1 1 372.428 3.578 20 30 FHEDMO N#Cc1c(NC(=O)CCn2c[nH+]c3c2CCCC3)sc2c1CCCCC2 ZINC000333492455 941979193 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359.473 3.731 20 30 FHEDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccccc1Oc1ccccc1C#N)C2 ZINC000183131067 942161680 /nfs/dbraw/zinc/16/16/80/942161680.db2.gz QPQRRPGMJMFHGF-ZWKOTPCHSA-N 1 1 361.445 3.659 20 30 FHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(CN2CCOCC2)cc1 ZINC000420899867 942244914 /nfs/dbraw/zinc/24/49/14/942244914.db2.gz GTUFJVKBBOBLAS-UHFFFAOYSA-N 1 1 363.505 3.801 20 30 FHEDMO COC(=O)C[N@H+](Cc1cccc(Br)c1)CC(C)(C)CCC#N ZINC000188020028 942306781 /nfs/dbraw/zinc/30/67/81/942306781.db2.gz BVPQNHJJPMQMFE-UHFFFAOYSA-N 1 1 367.287 3.754 20 30 FHEDMO COC(=O)C[N@@H+](Cc1cccc(Br)c1)CC(C)(C)CCC#N ZINC000188020028 942306783 /nfs/dbraw/zinc/30/67/83/942306783.db2.gz BVPQNHJJPMQMFE-UHFFFAOYSA-N 1 1 367.287 3.754 20 30 FHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502278404 942328457 /nfs/dbraw/zinc/32/84/57/942328457.db2.gz SOYNCOMGCHSEHL-NRFANRHFSA-N 1 1 366.509 3.621 20 30 FHEDMO C=CCN1CC[C@@H]([N@@H+](C)C/C(C)=C/c2ccccc2C(F)(F)F)C1=O ZINC000502357302 942377238 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351.494 3.684 20 30 FHEDMO C[C@H]1CN(Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)C[C@H](C)O1 ZINC000421334831 942508736 /nfs/dbraw/zinc/50/87/36/942508736.db2.gz QUGYYKBJSGSFPQ-IRXDYDNUSA-N 1 1 367.468 3.596 20 30 FHEDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000421359654 942510937 /nfs/dbraw/zinc/51/09/37/942510937.db2.gz GOFUBUPJLSBVHW-MJGOQNOKSA-N 1 1 350.462 3.588 20 30 FHEDMO C=C1CCC(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)CC1 ZINC001268966801 942604535 /nfs/dbraw/zinc/60/45/35/942604535.db2.gz DHZUYUDIJZICPC-SFTDATJTSA-N 1 1 361.574 3.528 20 30 FHEDMO N#CCCn1cc(C[N@H+]2CCCC3(CCOCC3)C2)c(-c2ccccc2)n1 ZINC000378339751 942614171 /nfs/dbraw/zinc/61/41/71/942614171.db2.gz FQRXOBHSNNVGTD-UHFFFAOYSA-N 1 1 364.493 3.856 20 30 FHEDMO N#C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@]12c1ccccc1NC2=O ZINC000513975085 942639894 /nfs/dbraw/zinc/63/98/94/942639894.db2.gz XGDHBARBENZEOL-AUSIDOKSSA-N 1 1 353.425 3.685 20 30 FHEDMO N#C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@]12c1ccccc1NC2=O ZINC000513975085 942639899 /nfs/dbraw/zinc/63/98/99/942639899.db2.gz XGDHBARBENZEOL-AUSIDOKSSA-N 1 1 353.425 3.685 20 30 FHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CCN(Cc2ccncc2)CC1 ZINC000378383179 942682280 /nfs/dbraw/zinc/68/22/80/942682280.db2.gz IKRYULBXSULSKG-UHFFFAOYSA-N 1 1 362.521 3.979 20 30 FHEDMO COc1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)CC2CCC2)c(OC)c1 ZINC000549424560 942683263 /nfs/dbraw/zinc/68/32/63/942683263.db2.gz VGBXGZBCMHFXNU-UHFFFAOYSA-N 1 1 353.466 3.716 20 30 FHEDMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)ccc1C#N ZINC000367027452 942689331 /nfs/dbraw/zinc/68/93/31/942689331.db2.gz BPAVGIQSNPKXLC-NNZMDNLPSA-N 1 1 371.481 3.587 20 30 FHEDMO N#CCCN(C(=O)C[NH+]1CCC(F)(c2ccccc2)CC1)c1ccccc1 ZINC000434493128 942711122 /nfs/dbraw/zinc/71/11/22/942711122.db2.gz KXFZWYWKZTUUKR-UHFFFAOYSA-N 1 1 365.452 3.894 20 30 FHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434496428 942722779 /nfs/dbraw/zinc/72/27/79/942722779.db2.gz IDQQZAPXJRYDLJ-INIZCTEOSA-N 1 1 351.425 3.846 20 30 FHEDMO C#CC[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1)c1ccccc1 ZINC000893236098 942760022 /nfs/dbraw/zinc/76/00/22/942760022.db2.gz FCQAYEMSKRPQSV-KRWDZBQOSA-N 1 1 352.438 3.678 20 30 FHEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000502913598 942836749 /nfs/dbraw/zinc/83/67/49/942836749.db2.gz SQTCKKRJFZWXBG-KRWDZBQOSA-N 1 1 351.450 3.676 20 30 FHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000434659570 942843793 /nfs/dbraw/zinc/84/37/93/942843793.db2.gz ROJIVPKKQSEODF-FQEVSTJZSA-N 1 1 351.425 3.733 20 30 FHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCSC(C)(C)CC1 ZINC000434671774 942857211 /nfs/dbraw/zinc/85/72/11/942857211.db2.gz JQPBTKORZVKSKK-LBPRGKRZSA-N 1 1 351.903 3.756 20 30 FHEDMO N#Cc1ccc(C[NH2+][C@@H](CCO)c2ccccc2Br)s1 ZINC000514245711 942860177 /nfs/dbraw/zinc/86/01/77/942860177.db2.gz BOYWGAFIWMBOSP-HNNXBMFYSA-N 1 1 351.269 3.596 20 30 FHEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000549446687 942951121 /nfs/dbraw/zinc/95/11/21/942951121.db2.gz YYVOFVOBMLPDRU-OAHLLOKOSA-N 1 1 357.235 3.631 20 30 FHEDMO N#CCCCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000273442500 942958184 /nfs/dbraw/zinc/95/81/84/942958184.db2.gz BXCXMTOHFUAQSN-UHFFFAOYSA-N 1 1 369.296 3.561 20 30 FHEDMO N#CC1(CCC[N@H+](CCCO)[C@@H]2CCCc3ccccc32)CCOCC1 ZINC000281962062 943014235 /nfs/dbraw/zinc/01/42/35/943014235.db2.gz KMONDTUWLFIOQI-OAQYLSRUSA-N 1 1 356.510 3.849 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCSC(C)(C)C2)c1 ZINC000434910869 943046208 /nfs/dbraw/zinc/04/62/08/943046208.db2.gz WJXDUPSZENJLKC-KRWDZBQOSA-N 1 1 359.539 3.766 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCSC(C)(C)C2)c1 ZINC000434910869 943046215 /nfs/dbraw/zinc/04/62/15/943046215.db2.gz WJXDUPSZENJLKC-KRWDZBQOSA-N 1 1 359.539 3.766 20 30 FHEDMO CCOc1cc2c(cc1OCC)C[N@@H+](CCCC1(C#N)CCOCC1)CC2 ZINC000282146058 943052381 /nfs/dbraw/zinc/05/23/81/943052381.db2.gz ZZUYFEKDPFZYAX-UHFFFAOYSA-N 1 1 372.509 3.943 20 30 FHEDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccco1 ZINC000514517416 943076457 /nfs/dbraw/zinc/07/64/57/943076457.db2.gz IPHIXCMQBNDEEB-NRFANRHFSA-N 1 1 358.441 3.712 20 30 FHEDMO C[C@@H](C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1)c1nccs1 ZINC000434986748 943087455 /nfs/dbraw/zinc/08/74/55/943087455.db2.gz QBYZPVDBCJQCLE-HNNXBMFYSA-N 1 1 366.494 3.551 20 30 FHEDMO C[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272222068 943116485 /nfs/dbraw/zinc/11/64/85/943116485.db2.gz CFCLKMOOUVIBFP-FXAWDEMLSA-N 1 1 362.477 3.785 20 30 FHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435063431 943136345 /nfs/dbraw/zinc/13/63/45/943136345.db2.gz JSSSTPUSSOLESA-WIYYLYMNSA-N 1 1 365.502 3.779 20 30 FHEDMO C[C@@]1(c2ccccc2)CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435063431 943136349 /nfs/dbraw/zinc/13/63/49/943136349.db2.gz JSSSTPUSSOLESA-WIYYLYMNSA-N 1 1 365.502 3.779 20 30 FHEDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000108330757 943157358 /nfs/dbraw/zinc/15/73/58/943157358.db2.gz GOVFRNWZAOQSSK-OAHLLOKOSA-N 1 1 367.424 3.561 20 30 FHEDMO COCC[N@@H+](C)CC[C@@H](Nc1ncc(C#N)cc1Cl)c1ccccc1 ZINC000505615327 943194384 /nfs/dbraw/zinc/19/43/84/943194384.db2.gz TUKKJWFZYZFLMN-GOSISDBHSA-N 1 1 358.873 3.728 20 30 FHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000435160477 943216198 /nfs/dbraw/zinc/21/61/98/943216198.db2.gz HYIZGNGUKNAIMW-RDTXWAMCSA-N 1 1 352.413 3.654 20 30 FHEDMO C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@H+](C2CC2)C1 ZINC000458846623 943221985 /nfs/dbraw/zinc/22/19/85/943221985.db2.gz RCJUGQXTBOARAB-PXNSSMCTSA-N 1 1 354.498 3.547 20 30 FHEDMO N#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000505638001 943272615 /nfs/dbraw/zinc/27/26/15/943272615.db2.gz RLXLHRWFJMGUQY-YLJYHZDGSA-N 1 1 367.880 3.933 20 30 FHEDMO C=CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543866004 943276452 /nfs/dbraw/zinc/27/64/52/943276452.db2.gz XYLXTBBUKIOZPL-HOTGVXAUSA-N 1 1 353.869 3.878 20 30 FHEDMO C=CCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543866004 943276455 /nfs/dbraw/zinc/27/64/55/943276455.db2.gz XYLXTBBUKIOZPL-HOTGVXAUSA-N 1 1 353.869 3.878 20 30 FHEDMO C=CCC[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000435281043 943300056 /nfs/dbraw/zinc/30/00/56/943300056.db2.gz PMVKJWPNEBRCCZ-FGZHOGPDSA-N 1 1 364.489 3.711 20 30 FHEDMO C=CCC[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000435281043 943300063 /nfs/dbraw/zinc/30/00/63/943300063.db2.gz PMVKJWPNEBRCCZ-FGZHOGPDSA-N 1 1 364.489 3.711 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435352425 943350718 /nfs/dbraw/zinc/35/07/18/943350718.db2.gz DVOBRUNGOLBNOB-IBGZPJMESA-N 1 1 373.500 3.713 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613733005 943412774 /nfs/dbraw/zinc/41/27/74/943412774.db2.gz JQDMQYXEQXNYJR-IEBWSBKVSA-N 1 1 351.494 3.936 20 30 FHEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(Cl)ccc3F)C2=O)cc1 ZINC000503927685 943413212 /nfs/dbraw/zinc/41/32/12/943413212.db2.gz IOSCOQJMPDYAJL-SFHVURJKSA-N 1 1 357.816 3.636 20 30 FHEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001269977063 943469628 /nfs/dbraw/zinc/46/96/28/943469628.db2.gz HOIPJICHJMSHQO-CALCHBBNSA-N 1 1 361.555 3.724 20 30 FHEDMO C=CCC(C)(C)C(=O)N1CCC[C@]2(CC[N@H+](Cc3scnc3C)C2)C1 ZINC001269977166 943470620 /nfs/dbraw/zinc/47/06/20/943470620.db2.gz IXUUEPFMDSUEPO-HXUWFJFHSA-N 1 1 361.555 3.868 20 30 FHEDMO C=CCC(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3scnc3C)C2)C1 ZINC001269977165 943470779 /nfs/dbraw/zinc/47/07/79/943470779.db2.gz IXUUEPFMDSUEPO-FQEVSTJZSA-N 1 1 361.555 3.868 20 30 FHEDMO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1C#N ZINC000435547255 943480358 /nfs/dbraw/zinc/48/03/58/943480358.db2.gz CSZWVZVIGFDCEI-LJQANCHMSA-N 1 1 370.497 3.731 20 30 FHEDMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424115649 943739640 /nfs/dbraw/zinc/73/96/40/943739640.db2.gz ASRZAJWRICYFGP-YRISNDGFSA-N 1 1 363.461 3.965 20 30 FHEDMO N#Cc1ccc(C2(C(=O)NC[C@@H]3CCC[N@H+]3CC3CCCCC3)CC2)cc1 ZINC000473559272 943777764 /nfs/dbraw/zinc/77/77/64/943777764.db2.gz FHLUWPUJEGIJOZ-NRFANRHFSA-N 1 1 365.521 3.751 20 30 FHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000515293090 943777785 /nfs/dbraw/zinc/77/77/85/943777785.db2.gz GBFUVDZMVMWRNP-ACJLOTCBSA-N 1 1 363.914 3.758 20 30 FHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2sc(-c3ccccc3F)nc2C)nn1 ZINC000424291978 943822222 /nfs/dbraw/zinc/82/22/22/943822222.db2.gz FSPBYOKOYLVVLW-LBPRGKRZSA-N 1 1 357.458 3.886 20 30 FHEDMO C=CCn1cc(C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)nn1 ZINC000424294746 943823489 /nfs/dbraw/zinc/82/34/89/943823489.db2.gz LKBZZYAVLWZHCD-QGZVFWFLSA-N 1 1 361.287 3.784 20 30 FHEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1C[C@H](OCC)C1(C)C ZINC000584869551 943825368 /nfs/dbraw/zinc/82/53/68/943825368.db2.gz NFMSRCDZENTTPX-OALUTQOASA-N 1 1 357.498 3.802 20 30 FHEDMO Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)co2)cc1 ZINC000517006726 943904708 /nfs/dbraw/zinc/90/47/08/943904708.db2.gz WLXIQPANUJAMSM-IBGZPJMESA-N 1 1 360.417 3.570 20 30 FHEDMO Cc1ccc(-c2nc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)co2)cc1 ZINC000517006726 943904715 /nfs/dbraw/zinc/90/47/15/943904715.db2.gz WLXIQPANUJAMSM-IBGZPJMESA-N 1 1 360.417 3.570 20 30 FHEDMO CCOC(=O)Cn1nc(C)c(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000437579584 943934787 /nfs/dbraw/zinc/93/47/87/943934787.db2.gz OEOBSTVQPWWSEB-INIZCTEOSA-N 1 1 368.481 3.518 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1 ZINC000515505549 943957039 /nfs/dbraw/zinc/95/70/39/943957039.db2.gz FFYWQCRSRLXMJL-DLBZAZTESA-N 1 1 363.452 3.916 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@@H](C)C2)c1 ZINC000515505549 943957048 /nfs/dbraw/zinc/95/70/48/943957048.db2.gz FFYWQCRSRLXMJL-DLBZAZTESA-N 1 1 363.452 3.916 20 30 FHEDMO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000437609577 943966576 /nfs/dbraw/zinc/96/65/76/943966576.db2.gz XGAGQHCGVLKXHF-GCJKJVERSA-N 1 1 358.526 3.764 20 30 FHEDMO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000437615808 943972230 /nfs/dbraw/zinc/97/22/30/943972230.db2.gz JOMGUPMIRVOODL-AVRDEDQJSA-N 1 1 358.526 3.906 20 30 FHEDMO C=CCN(C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H](C)COC ZINC000664519151 943975753 /nfs/dbraw/zinc/97/57/53/943975753.db2.gz HOOHLZMAXLKGAC-SFHLNBCPSA-N 1 1 373.541 3.520 20 30 FHEDMO C=CCC1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000424615838 944027520 /nfs/dbraw/zinc/02/75/20/944027520.db2.gz LHKCQEISEFQKHF-FQEVSTJZSA-N 1 1 356.510 3.530 20 30 FHEDMO C=CCCC[C@H](C)NC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000417992305 944040447 /nfs/dbraw/zinc/04/04/47/944040447.db2.gz WLAPWRNOMMBPTA-INIZCTEOSA-N 1 1 373.545 3.511 20 30 FHEDMO CCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000436134304 944046725 /nfs/dbraw/zinc/04/67/25/944046725.db2.gz DDZVSPWNILUSDP-MAUKXSAKSA-N 1 1 351.450 3.757 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000436138919 944050761 /nfs/dbraw/zinc/05/07/61/944050761.db2.gz YXKHGVCRIAXGFX-FQEVSTJZSA-N 1 1 365.477 3.663 20 30 FHEDMO C=CCC1(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)CCOCC1 ZINC000424679471 944060000 /nfs/dbraw/zinc/06/00/00/944060000.db2.gz LNJGNNFLMWKITO-ROUUACIJSA-N 1 1 372.509 3.607 20 30 FHEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000424703056 944076324 /nfs/dbraw/zinc/07/63/24/944076324.db2.gz GMDFQANCFKDNKH-ICSRJNTNSA-N 1 1 356.510 3.529 20 30 FHEDMO N#CC1(C[NH2+]Cc2ccc(Br)c(Br)c2)CCC1 ZINC000418144964 944203581 /nfs/dbraw/zinc/20/35/81/944203581.db2.gz WBWTUFHUHHPMJN-UHFFFAOYSA-N 1 1 358.077 3.995 20 30 FHEDMO N#CC1(C[NH2+]Cc2cc(Br)cc(Br)c2N)CCC1 ZINC000418145387 944207849 /nfs/dbraw/zinc/20/78/49/944207849.db2.gz XTOPFARDJSOFER-UHFFFAOYSA-N 1 1 373.092 3.577 20 30 FHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCCOc2cccc(C#N)c2)C1 ZINC000438991468 944237977 /nfs/dbraw/zinc/23/79/77/944237977.db2.gz CPCDQWAVVYHBII-GFRNBQLOSA-N 1 1 356.510 3.979 20 30 FHEDMO CC(C)Oc1cccc(CNC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425530356 944251510 /nfs/dbraw/zinc/25/15/10/944251510.db2.gz DYFLXRFHASMXIQ-QGZVFWFLSA-N 1 1 365.477 3.655 20 30 FHEDMO CC(C)Oc1cccc(CNC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425530356 944251520 /nfs/dbraw/zinc/25/15/20/944251520.db2.gz DYFLXRFHASMXIQ-QGZVFWFLSA-N 1 1 365.477 3.655 20 30 FHEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(C#N)c1C ZINC000425532715 944257945 /nfs/dbraw/zinc/25/79/45/944257945.db2.gz JUZRACNPRJITOC-CYBMUJFWSA-N 1 1 352.463 3.740 20 30 FHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(C#N)c1C ZINC000425532715 944257957 /nfs/dbraw/zinc/25/79/57/944257957.db2.gz JUZRACNPRJITOC-CYBMUJFWSA-N 1 1 352.463 3.740 20 30 FHEDMO Cn1cc([C@@H]2C[N@H+](Cc3ccc(Br)cc3C#N)CC2(C)C)cn1 ZINC000517387501 944261286 /nfs/dbraw/zinc/26/12/86/944261286.db2.gz IBGBAFZBPVHLCE-KRWDZBQOSA-N 1 1 373.298 3.680 20 30 FHEDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(Br)cc3C#N)CC2(C)C)cn1 ZINC000517387501 944261294 /nfs/dbraw/zinc/26/12/94/944261294.db2.gz IBGBAFZBPVHLCE-KRWDZBQOSA-N 1 1 373.298 3.680 20 30 FHEDMO Cc1cc2ncn(C[C@H](O)C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)c2cc1C ZINC000425533058 944261879 /nfs/dbraw/zinc/26/18/79/944261879.db2.gz KCOGQXFJOWSEIK-FXAWDEMLSA-N 1 1 362.477 3.579 20 30 FHEDMO C=CC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000111507585 944266274 /nfs/dbraw/zinc/26/62/74/944266274.db2.gz KQQYIVJTIVIGGJ-SEJPIABJSA-N 1 1 353.510 3.790 20 30 FHEDMO CCCOc1cccc(CNC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425535660 944279192 /nfs/dbraw/zinc/27/91/92/944279192.db2.gz NSBLSBRZZNPNRQ-QGZVFWFLSA-N 1 1 365.477 3.656 20 30 FHEDMO CCCOc1cccc(CNC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425535660 944279195 /nfs/dbraw/zinc/27/91/95/944279195.db2.gz NSBLSBRZZNPNRQ-QGZVFWFLSA-N 1 1 365.477 3.656 20 30 FHEDMO N#CCCN(C(=O)C[N@@H+](CCc1cccc(F)c1)C1CC1)c1ccccc1 ZINC000506472793 944298018 /nfs/dbraw/zinc/29/80/18/944298018.db2.gz VBGGWVKVQDMMGN-UHFFFAOYSA-N 1 1 365.452 3.779 20 30 FHEDMO N#CCCN(C(=O)C[N@H+](CCc1cccc(F)c1)C1CC1)c1ccccc1 ZINC000506472793 944298026 /nfs/dbraw/zinc/29/80/26/944298026.db2.gz VBGGWVKVQDMMGN-UHFFFAOYSA-N 1 1 365.452 3.779 20 30 FHEDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@H+]1C ZINC000438061996 944321622 /nfs/dbraw/zinc/32/16/22/944321622.db2.gz VQSDCSSPMCRVDF-CRAIPNDOSA-N 1 1 364.449 3.955 20 30 FHEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cscc2C#N)CC1 ZINC000550179460 944358809 /nfs/dbraw/zinc/35/88/09/944358809.db2.gz QGOCVNVISNZZHA-UHFFFAOYSA-N 1 1 353.491 3.604 20 30 FHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000517543377 944372667 /nfs/dbraw/zinc/37/26/67/944372667.db2.gz AFJVCCRYVBMITJ-DYESRHJHSA-N 1 1 362.477 3.535 20 30 FHEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000517528725 944375799 /nfs/dbraw/zinc/37/57/99/944375799.db2.gz FVEUVAUOOUETJF-CVEARBPZSA-N 1 1 360.527 3.933 20 30 FHEDMO C=C(C)COc1cc(C[NH+]2CCN(c3ccccc3O)CC2)ccc1OC ZINC000505847681 944431285 /nfs/dbraw/zinc/43/12/85/944431285.db2.gz DONFBIAYTLIIHY-UHFFFAOYSA-N 1 1 368.477 3.678 20 30 FHEDMO Cc1ccc(C#N)c(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000500296745 944443114 /nfs/dbraw/zinc/44/31/14/944443114.db2.gz OJBRFCXLYQVDAB-KRWDZBQOSA-N 1 1 360.383 3.967 20 30 FHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(C#N)cs3)cc2)C1 ZINC000438270573 944454254 /nfs/dbraw/zinc/45/42/54/944454254.db2.gz MLUSKDFEJVFNBE-OAHLLOKOSA-N 1 1 353.491 3.782 20 30 FHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759842854 944532806 /nfs/dbraw/zinc/53/28/06/944532806.db2.gz DXIYNMWIRUWWSN-IBGZPJMESA-N 1 1 362.832 3.533 20 30 FHEDMO C[NH+](C)C[C@H](NCc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000518606620 944544386 /nfs/dbraw/zinc/54/43/86/944544386.db2.gz YQVCMMQMHUYFNR-NRFANRHFSA-N 1 1 355.457 3.901 20 30 FHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCc4cc[nH]c(=O)c4C3)c2)c1 ZINC000426368611 944579206 /nfs/dbraw/zinc/57/92/06/944579206.db2.gz BBHCSMFTNJWMME-UHFFFAOYSA-N 1 1 371.440 3.796 20 30 FHEDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000184323180 944596405 /nfs/dbraw/zinc/59/64/05/944596405.db2.gz KQSVDEVCKNJJAZ-UHFFFAOYSA-N 1 1 364.449 3.908 20 30 FHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000053681172 944606196 /nfs/dbraw/zinc/60/61/96/944606196.db2.gz UUOJZNXUMHVYFU-HNNXBMFYSA-N 1 1 371.868 3.940 20 30 FHEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)CCC(=O)Nc1ccccc1C#N ZINC000053681545 944607927 /nfs/dbraw/zinc/60/79/27/944607927.db2.gz SDKLFXBGGLLYSH-UHFFFAOYSA-N 1 1 371.868 3.941 20 30 FHEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c(C#N)c1C ZINC000438501761 944697871 /nfs/dbraw/zinc/69/78/71/944697871.db2.gz ARFVKCYXKPBBPC-FQEVSTJZSA-N 1 1 353.491 3.839 20 30 FHEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@](C)(c3ccccc3)C2)c(C#N)c1C ZINC000438501761 944697877 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N#Cc1ccnc(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)n1 ZINC000516394140 944813034 /nfs/dbraw/zinc/81/30/34/944813034.db2.gz UTNLOJQCINEDKH-SFHVURJKSA-N 1 1 361.474 3.621 20 30 FHEDMO N#Cc1ccnc(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)n1 ZINC000516394140 944813043 /nfs/dbraw/zinc/81/30/43/944813043.db2.gz UTNLOJQCINEDKH-SFHVURJKSA-N 1 1 361.474 3.621 20 30 FHEDMO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000517908775 944826373 /nfs/dbraw/zinc/82/63/73/944826373.db2.gz KTUCSMQCGPRVGH-GOSISDBHSA-N 1 1 371.525 3.732 20 30 FHEDMO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000517908776 944826526 /nfs/dbraw/zinc/82/65/26/944826526.db2.gz KTUCSMQCGPRVGH-SFHVURJKSA-N 1 1 371.525 3.732 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425653527 944829283 /nfs/dbraw/zinc/82/92/83/944829283.db2.gz ZYCLQNLZAKXFGB-LAUBAEHRSA-N 1 1 362.477 3.535 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425653532 944829748 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FHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C#N)cc2Cl)c1 ZINC000426161016 945052167 /nfs/dbraw/zinc/05/21/67/945052167.db2.gz LJUWICXSJZABAY-UHFFFAOYSA-N 1 1 356.857 3.985 20 30 FHEDMO C[C@@H]1C[C@@H](N2CC[C@@H]3SC(=O)C=C3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168047576 945370672 /nfs/dbraw/zinc/37/06/72/945370672.db2.gz QUKRMIKBSQRRHK-JSJNYSNDSA-N 1 1 356.535 3.702 20 30 FHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000660673961 945378765 /nfs/dbraw/zinc/37/87/65/945378765.db2.gz BFYQFOIFIUHMEZ-WTGUMLROSA-N 1 1 365.562 3.558 20 30 FHEDMO CC(C)CCn1ncc(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1C(C)C ZINC000330180997 945390549 /nfs/dbraw/zinc/39/05/49/945390549.db2.gz NRGAPMYNOSHSNW-AEFFLSMTSA-N 1 1 361.534 3.624 20 30 FHEDMO Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)nc(C)[nH+]1 ZINC000330202854 945400495 /nfs/dbraw/zinc/40/04/95/945400495.db2.gz ZWHAGRZNYVZAJA-YQVWRLOYSA-N 1 1 371.529 3.535 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(C#N)ccc2Cl)cc1F 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QEEJQVQMXUYQSW-UHFFFAOYSA-N 1 1 367.449 3.711 20 30 FHEDMO N#CCCCOc1cccc(C[N@H+]2CCOC[C@@H]2Cc2ccccc2)c1 ZINC000507690782 945454146 /nfs/dbraw/zinc/45/41/46/945454146.db2.gz ZJBXPABQXDHPNM-NRFANRHFSA-N 1 1 350.462 3.813 20 30 FHEDMO C[C@H]1C[NH+](Cc2ccccc2NCc2cccc(F)c2C#N)C[C@H](C)O1 ZINC000427532155 945483641 /nfs/dbraw/zinc/48/36/41/945483641.db2.gz WUOCRYRPNUENPH-HOTGVXAUSA-N 1 1 353.441 3.919 20 30 FHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000330334329 945602915 /nfs/dbraw/zinc/60/29/15/945602915.db2.gz QMGCWVDPNXHOGM-WOJBJXKFSA-N 1 1 363.461 3.615 20 30 FHEDMO C=CC[C@@H]1CCCN(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000661001772 945633852 /nfs/dbraw/zinc/63/38/52/945633852.db2.gz KGRVWJDPLBCOPA-SBHAEUEKSA-N 1 1 355.526 3.895 20 30 FHEDMO CC[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCN1Cc1ccccc1 ZINC000281529971 945670819 /nfs/dbraw/zinc/67/08/19/945670819.db2.gz ZXKCXPPJERDONT-NRFANRHFSA-N 1 1 355.526 3.683 20 30 FHEDMO 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ZINC000330464629 947176680 /nfs/dbraw/zinc/17/66/80/947176680.db2.gz PJTMGPFPINQWDQ-LBPRGKRZSA-N 1 1 370.291 3.658 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000330462841 947176808 /nfs/dbraw/zinc/17/68/08/947176808.db2.gz TYNFCNKIULSVNH-SWLSCSKDSA-N 1 1 354.281 3.939 20 30 FHEDMO C=CC[C@H]1[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCCC1(C)C ZINC000444782445 947196045 /nfs/dbraw/zinc/19/60/45/947196045.db2.gz CGPFOTNBMMNTEI-GOSISDBHSA-N 1 1 373.453 3.960 20 30 FHEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCC1(C)C ZINC000444773974 947208312 /nfs/dbraw/zinc/20/83/12/947208312.db2.gz HBMITOJAEYEDNM-QGZVFWFLSA-N 1 1 361.442 3.609 20 30 FHEDMO C=CC[C@H]1[N@@H+](C[C@H](O)COc2c(OC)cccc2OC)CCCC1(C)C ZINC000444776844 947212610 /nfs/dbraw/zinc/21/26/10/947212610.db2.gz CWKFSRWGTLAANJ-QFBILLFUSA-N 1 1 363.498 3.510 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2ccc(Br)o2)o1 ZINC000662078583 947213999 /nfs/dbraw/zinc/21/39/99/947213999.db2.gz IHEBGDKUFDMIFL-PHIMTYICSA-N 1 1 350.216 3.775 20 30 FHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1OC ZINC000628301996 947217762 /nfs/dbraw/zinc/21/77/62/947217762.db2.gz MVKRGIRPMIUORG-LJQANCHMSA-N 1 1 351.874 3.916 20 30 FHEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1C ZINC000444783506 947224653 /nfs/dbraw/zinc/22/46/53/947224653.db2.gz KMOKJSYRINJNEN-CJNGLKHVSA-N 1 1 355.404 3.586 20 30 FHEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000523396740 947228102 /nfs/dbraw/zinc/22/81/02/947228102.db2.gz BIRZTMZYQQFXRP-NRFANRHFSA-N 1 1 362.477 3.714 20 30 FHEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CCCC1(C)C ZINC000444790481 947230598 /nfs/dbraw/zinc/23/05/98/947230598.db2.gz JCFZUCZFXROKHT-IBGZPJMESA-N 1 1 369.509 3.584 20 30 FHEDMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000444794327 947233063 /nfs/dbraw/zinc/23/30/63/947233063.db2.gz VFISTUBKNXHXNW-RDJZCZTQSA-N 1 1 355.404 3.633 20 30 FHEDMO COc1ccc(C2([NH2+]Cc3ccc(F)cc3C#N)CCOCC2)cc1F ZINC000444799241 947234991 /nfs/dbraw/zinc/23/49/91/947234991.db2.gz HIUSKZRZTNETHY-UHFFFAOYSA-N 1 1 358.388 3.641 20 30 FHEDMO C=CCn1c(CC2CC2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000508509098 947245079 /nfs/dbraw/zinc/24/50/79/947245079.db2.gz MKCWRBMLCACTBU-FQEVSTJZSA-N 1 1 365.525 3.517 20 30 FHEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000523451384 947256193 /nfs/dbraw/zinc/25/61/93/947256193.db2.gz BJYIBVODOLFAJZ-MBSDFSHPSA-N 1 1 361.489 3.956 20 30 FHEDMO N#Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000045819354 947296638 /nfs/dbraw/zinc/29/66/38/947296638.db2.gz MBMBEIZNLBYGFG-IBGZPJMESA-N 1 1 353.853 3.779 20 30 FHEDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)C1 ZINC000330930988 947322258 /nfs/dbraw/zinc/32/22/58/947322258.db2.gz ROERPAOROCQYEK-CXAGYDPISA-N 1 1 363.477 3.844 20 30 FHEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000523550869 947364936 /nfs/dbraw/zinc/36/49/36/947364936.db2.gz DZMXSYFXDYMKRA-LJQANCHMSA-N 1 1 372.509 3.800 20 30 FHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]([C@H](C)CC)C(F)(F)F)C1 ZINC000331316799 947386038 /nfs/dbraw/zinc/38/60/38/947386038.db2.gz FXAWWDMXTZJXPG-UMVBOHGHSA-N 1 1 360.424 3.973 20 30 FHEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000523561004 947387992 /nfs/dbraw/zinc/38/79/92/947387992.db2.gz QZCKFCIWCXEGBG-UHFFFAOYSA-N 1 1 370.415 3.827 20 30 FHEDMO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000120340005 947544515 /nfs/dbraw/zinc/54/45/15/947544515.db2.gz SOKXCHRWJKKIDQ-PBHICJAKSA-N 1 1 360.299 3.774 20 30 FHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120351842 947598576 /nfs/dbraw/zinc/59/85/76/947598576.db2.gz XCLMWHGDDLBINN-KSSFIOAISA-N 1 1 369.852 3.692 20 30 FHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120351842 947598585 /nfs/dbraw/zinc/59/85/85/947598585.db2.gz XCLMWHGDDLBINN-KSSFIOAISA-N 1 1 369.852 3.692 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000425416220 947706595 /nfs/dbraw/zinc/70/65/95/947706595.db2.gz KUNLMKDVGXQMFV-SJORKVTESA-N 1 1 356.514 3.771 20 30 FHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(I)c(Cl)c2)o1 ZINC000500446058 948029691 /nfs/dbraw/zinc/02/96/91/948029691.db2.gz KHGVLLADNBAXHK-UHFFFAOYSA-N 1 1 372.593 3.699 20 30 FHEDMO C=CCC[C@@H](NC(=O)NCC[N@H+](C)CC)c1ccc(C(F)(F)F)cc1 ZINC000441515889 948201637 /nfs/dbraw/zinc/20/16/37/948201637.db2.gz SIZXZEWOBZOEGQ-MRXNPFEDSA-N 1 1 357.420 3.964 20 30 FHEDMO CSc1ccc(OCC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000441541431 948237511 /nfs/dbraw/zinc/23/75/11/948237511.db2.gz DJOBUIZXFXIYLC-UHFFFAOYSA-N 1 1 371.481 3.620 20 30 FHEDMO C=CCN(C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@H](C)COC ZINC000663583203 948251164 /nfs/dbraw/zinc/25/11/64/948251164.db2.gz REXHEXYIYDEVPR-RBUKOAKNSA-N 1 1 373.541 3.651 20 30 FHEDMO C=CCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H](C)COC ZINC000663583791 948253387 /nfs/dbraw/zinc/25/33/87/948253387.db2.gz ZRBTTXKPOPZCHE-RTBURBONSA-N 1 1 373.541 3.651 20 30 FHEDMO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)NC1(C#N)CCCCC1 ZINC000184471635 948585570 /nfs/dbraw/zinc/58/55/70/948585570.db2.gz MXOSIMQDZLZOJL-KGLIPLIRSA-N 1 1 362.543 3.822 20 30 FHEDMO C=C(C)C[N@@H+](CCC(=O)Nc1cccc(F)c1C)Cc1ccc(CO)o1 ZINC000512177031 948656613 /nfs/dbraw/zinc/65/66/13/948656613.db2.gz CEQWKBKBSGKUMO-UHFFFAOYSA-N 1 1 360.429 3.626 20 30 FHEDMO C=CCn1nnn(C[NH2+]C(CC)(CC)c2ccc(Cl)cc2)c1=S ZINC000728900300 948793615 /nfs/dbraw/zinc/79/36/15/948793615.db2.gz GOVMCTYACSCELM-UHFFFAOYSA-N 1 1 351.907 3.911 20 30 FHEDMO Cc1nccc(CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000328606743 527325201 /nfs/dbraw/zinc/32/52/01/527325201.db2.gz SSXOVMLKRKDUTN-WIYYLYMNSA-N 1 1 350.466 3.544 20 30 FHEDMO N#CCCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000601966661 567889186 /nfs/dbraw/zinc/88/91/86/567889186.db2.gz SRUMUEASYKBKOI-DHIUTWEWSA-N 1 1 363.505 3.648 20 30 FHEDMO C[N@H+]1CC[C@@H](CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000602072821 567916334 /nfs/dbraw/zinc/91/63/34/567916334.db2.gz JVJVTLCEBXKLMN-SFHVURJKSA-N 1 1 363.461 3.612 20 30 FHEDMO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000605978339 568052098 /nfs/dbraw/zinc/05/20/98/568052098.db2.gz WZYQRDMQPCMXII-KRWDZBQOSA-N 1 1 369.431 3.887 20 30 FHEDMO C=CC[N@@H+](Cc1ccc(F)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000522775390 568128084 /nfs/dbraw/zinc/12/80/84/568128084.db2.gz RNCOZAOCGVVZFM-AWEZNQCLSA-N 1 1 355.392 3.690 20 30 FHEDMO C[NH+]1CCC(C#N)(NC(=O)c2sc3cccc(Cl)c3c2Cl)CC1 ZINC000603886178 568177002 /nfs/dbraw/zinc/17/70/02/568177002.db2.gz SZQRTPHCQSWRFN-UHFFFAOYSA-N 1 1 368.289 3.926 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890317 568177393 /nfs/dbraw/zinc/17/73/93/568177393.db2.gz ZATKGFOMIQVIEG-RADWXHQJSA-N 1 1 366.509 3.790 20 30 FHEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)CCCCC1 ZINC000302942180 568242596 /nfs/dbraw/zinc/24/25/96/568242596.db2.gz ALTBXONPNFFURC-QGZVFWFLSA-N 1 1 359.901 3.690 20 30 FHEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)CCCCC1 ZINC000302942180 568242597 /nfs/dbraw/zinc/24/25/97/568242597.db2.gz ALTBXONPNFFURC-QGZVFWFLSA-N 1 1 359.901 3.690 20 30 FHEDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000075926278 568262984 /nfs/dbraw/zinc/26/29/84/568262984.db2.gz DEICDPDDSJDGFN-KRWDZBQOSA-N 1 1 367.415 3.571 20 30 FHEDMO COc1cccc(C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC(C)C)c1 ZINC000604493093 568303828 /nfs/dbraw/zinc/30/38/28/568303828.db2.gz AMEDYAKZTMLAKU-UHFFFAOYSA-N 1 1 371.525 3.838 20 30 FHEDMO COc1ccc(CNC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1OCCCC#N ZINC000604512417 568306564 /nfs/dbraw/zinc/30/65/64/568306564.db2.gz IFGBOHWMLWWZBN-ROUUACIJSA-N 1 1 359.514 3.730 20 30 FHEDMO COc1ccc(CNC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1OCCCC#N ZINC000604512417 568306565 /nfs/dbraw/zinc/30/65/65/568306565.db2.gz IFGBOHWMLWWZBN-ROUUACIJSA-N 1 1 359.514 3.730 20 30 FHEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]2C ZINC000541990074 568310012 /nfs/dbraw/zinc/31/00/12/568310012.db2.gz MIOSHFZTGXUESL-HZPDHXFCSA-N 1 1 363.461 3.903 20 30 FHEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]2C ZINC000541990072 568315045 /nfs/dbraw/zinc/31/50/45/568315045.db2.gz MIOSHFZTGXUESL-CVEARBPZSA-N 1 1 363.461 3.903 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000044341680 568360494 /nfs/dbraw/zinc/36/04/94/568360494.db2.gz PCHYCIFLQBFYLG-QHCPKHFHSA-N 1 1 373.500 3.713 20 30 FHEDMO C[N@@H+](CC#Cc1ccccc1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000365252445 568367987 /nfs/dbraw/zinc/36/79/87/568367987.db2.gz BCLYVSDYFNKXOD-UHFFFAOYSA-N 1 1 361.489 3.914 20 30 FHEDMO COc1cc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000570484996 568488112 /nfs/dbraw/zinc/48/81/12/568488112.db2.gz OSGNWKPXLZNJIQ-QHCPKHFHSA-N 1 1 361.489 3.665 20 30 FHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570580345 568495321 /nfs/dbraw/zinc/49/53/21/568495321.db2.gz TUFBQQWCAQBBQE-LJQANCHMSA-N 1 1 363.461 3.806 20 30 FHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824261886 608387678 /nfs/dbraw/zinc/38/76/78/608387678.db2.gz STEQVLUMJCJNGR-UHFFFAOYSA-N 1 1 364.428 3.536 20 30 FHEDMO C[C@@H]1[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000431515616 936371842 /nfs/dbraw/zinc/37/18/42/936371842.db2.gz BQVKTCCYIBYGJR-OFAXGOBFSA-N 1 1 373.500 3.642 20 30 FHEDMO C[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000431515616 936371846 /nfs/dbraw/zinc/37/18/46/936371846.db2.gz BQVKTCCYIBYGJR-OFAXGOBFSA-N 1 1 373.500 3.642 20 30 FHEDMO CC[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000047958686 927111498 /nfs/dbraw/zinc/11/14/98/927111498.db2.gz ZFQYUJCZVWUMDW-LJQANCHMSA-N 1 1 358.869 3.668 20 30 FHEDMO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Br)c1 ZINC000430172072 927517114 /nfs/dbraw/zinc/51/71/14/927517114.db2.gz ZSLQQACFXJTKAV-MRXNPFEDSA-N 1 1 372.266 3.678 20 30 FHEDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Br)c1 ZINC000430172072 927517122 /nfs/dbraw/zinc/51/71/22/927517122.db2.gz ZSLQQACFXJTKAV-MRXNPFEDSA-N 1 1 372.266 3.678 20 30 FHEDMO COc1ccc2ccccc2c1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430173461 927519945 /nfs/dbraw/zinc/51/99/45/927519945.db2.gz WIMHKMMQIVMAFY-SFHVURJKSA-N 1 1 359.429 3.768 20 30 FHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186909637 927565905 /nfs/dbraw/zinc/56/59/05/927565905.db2.gz MPJBBBXSPROWHL-UHFFFAOYSA-N 1 1 353.510 3.560 20 30 FHEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c(Br)c1 ZINC000577802699 927576713 /nfs/dbraw/zinc/57/67/13/927576713.db2.gz IJNIIYDUTLLMGG-UHFFFAOYSA-N 1 1 361.239 3.628 20 30 FHEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000047009907 927670329 /nfs/dbraw/zinc/67/03/29/927670329.db2.gz NFWWQUKULUBICF-KRWDZBQOSA-N 1 1 369.534 3.893 20 30 FHEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000047009907 927670334 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C=CC[N@H+](CC(=O)Nc1ccc(C(=O)OCC)cc1)CC1CCCCC1 ZINC001167386978 930590611 /nfs/dbraw/zinc/59/06/11/930590611.db2.gz MLNUXVJXICZGMQ-UHFFFAOYSA-N 1 1 358.482 3.870 20 30 FHEDMO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC001167398299 930666579 /nfs/dbraw/zinc/66/65/79/930666579.db2.gz PXROCQMVRANBRU-HNNXBMFYSA-N 1 1 362.315 3.822 20 30 FHEDMO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCOc3cccc(C#N)c3)C2)s1 ZINC000579646299 930696034 /nfs/dbraw/zinc/69/60/34/930696034.db2.gz QXWNGUXYNPLJGZ-LJQANCHMSA-N 1 1 369.534 3.761 20 30 FHEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCOc3cccc(C#N)c3)C2)s1 ZINC000579646299 930696036 /nfs/dbraw/zinc/69/60/36/930696036.db2.gz QXWNGUXYNPLJGZ-LJQANCHMSA-N 1 1 369.534 3.761 20 30 FHEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCOc3cccc(C#N)c3)C2)s1 ZINC000579646299 930696041 /nfs/dbraw/zinc/69/60/41/930696041.db2.gz QXWNGUXYNPLJGZ-LJQANCHMSA-N 1 1 369.534 3.761 20 30 FHEDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCOc3cccc(C#N)c3)C2)s1 ZINC000579646299 930696046 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931756213 /nfs/dbraw/zinc/75/62/13/931756213.db2.gz KIOYDEKZWJVNIJ-NQIIRXRSSA-N 1 1 367.518 3.757 20 30 FHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)c(OC)c1 ZINC000160836665 931777954 /nfs/dbraw/zinc/77/79/54/931777954.db2.gz HSUJGETWCSQUSP-UHFFFAOYSA-N 1 1 353.466 3.686 20 30 FHEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)C1(C)C ZINC000477062343 931792759 /nfs/dbraw/zinc/79/27/59/931792759.db2.gz XHBSFMIGKXGXRH-JKSUJKDBSA-N 1 1 363.527 3.864 20 30 FHEDMO C=CCCN(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276182852 932015246 /nfs/dbraw/zinc/01/52/46/932015246.db2.gz VTGLJAMUGMZLMR-YOEHRIQHSA-N 1 1 353.869 3.689 20 30 FHEDMO CC[N@@H+](CCCSCC#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000072513507 932152174 /nfs/dbraw/zinc/15/21/74/932152174.db2.gz IVQKBNUEMMZYDH-UHFFFAOYSA-N 1 1 360.310 3.901 20 30 FHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000581530927 932215552 /nfs/dbraw/zinc/21/55/52/932215552.db2.gz AONSAETYIOQGFW-LQWHRVPQSA-N 1 1 368.525 3.800 20 30 FHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000096966985 932566014 /nfs/dbraw/zinc/56/60/14/932566014.db2.gz XIWCMNWIOYMSGE-LSDHHAIUSA-N 1 1 357.404 3.951 20 30 FHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000134629874 932613407 /nfs/dbraw/zinc/61/34/07/932613407.db2.gz VRJRZZXWUSVKAY-NVXWUHKLSA-N 1 1 368.481 3.689 20 30 FHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000134629874 932613409 /nfs/dbraw/zinc/61/34/09/932613409.db2.gz VRJRZZXWUSVKAY-NVXWUHKLSA-N 1 1 368.481 3.689 20 30 FHEDMO CC(C)CC[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000135320217 932849963 /nfs/dbraw/zinc/84/99/63/932849963.db2.gz BWULZRWKIBJXQR-GOSISDBHSA-N 1 1 365.481 3.583 20 30 FHEDMO Cc1cccc(OC[C@@H](O)C[N@H+](CCc2ccc(C#N)cc2)C(C)C)c1 ZINC001167488248 932901535 /nfs/dbraw/zinc/90/15/35/932901535.db2.gz XWFLGKZFJNPZIA-NRFANRHFSA-N 1 1 352.478 3.560 20 30 FHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1c(F)c(F)ccc1OC)C2 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352.278 3.610 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000187665747 934132633 /nfs/dbraw/zinc/13/26/33/934132633.db2.gz FVWJIWHBEHWBDF-LIRRHRJNSA-N 1 1 352.413 3.654 20 30 FHEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610783290 934181250 /nfs/dbraw/zinc/18/12/50/934181250.db2.gz BLYGJTSDSSIHBE-NFBKMPQASA-N 1 1 364.489 3.748 20 30 FHEDMO C[C@H]1C[C@@H](NC(=O)CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176137791 934300992 /nfs/dbraw/zinc/30/09/92/934300992.db2.gz UNSCXLCISKASPN-AVRDEDQJSA-N 1 1 361.489 3.660 20 30 FHEDMO C[N@@H+](CCNC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000458133867 934324362 /nfs/dbraw/zinc/32/43/62/934324362.db2.gz UNWILLXCSQGVAP-FQEVSTJZSA-N 1 1 356.514 3.985 20 30 FHEDMO COCCCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000065165540 934509139 /nfs/dbraw/zinc/50/91/39/934509139.db2.gz MTSFMKQWHVAAQO-UHFFFAOYSA-N 1 1 371.525 3.600 20 30 FHEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000610967360 934663632 /nfs/dbraw/zinc/66/36/32/934663632.db2.gz DSHJXWGMKRTFSE-NFBKMPQASA-N 1 1 362.473 3.644 20 30 FHEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)C1CC1 ZINC000548504296 934663694 /nfs/dbraw/zinc/66/36/94/934663694.db2.gz JQOZAHYIPWYJJQ-HXUWFJFHSA-N 1 1 367.880 3.852 20 30 FHEDMO COc1cc(C[N@H+](Cc2ccnc(C#N)c2)C2CC2)ccc1OC(F)F ZINC000610991371 934719832 /nfs/dbraw/zinc/71/98/32/934719832.db2.gz LTFKYNBYYOPJRX-UHFFFAOYSA-N 1 1 359.376 3.728 20 30 FHEDMO COc1cc(C[N@@H+](Cc2ccnc(C#N)c2)C2CC2)ccc1OC(F)F ZINC000610991371 934719833 /nfs/dbraw/zinc/71/98/33/934719833.db2.gz LTFKYNBYYOPJRX-UHFFFAOYSA-N 1 1 359.376 3.728 20 30 FHEDMO C=CCC[C@H](CC)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000132363778 934853264 /nfs/dbraw/zinc/85/32/64/934853264.db2.gz JSSXNJSTCSJCIL-INIZCTEOSA-N 1 1 363.477 3.643 20 30 FHEDMO C#CCOCC[N@@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC001167512424 935063270 /nfs/dbraw/zinc/06/32/70/935063270.db2.gz MSNURJQTJDHVKM-OAQYLSRUSA-N 1 1 351.446 3.671 20 30 FHEDMO C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001125578515 935103446 /nfs/dbraw/zinc/10/34/46/935103446.db2.gz OUQZQTUYVBROLU-LJQANCHMSA-N 1 1 358.844 3.744 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCc2nccs2)c1 ZINC000157681728 935143630 /nfs/dbraw/zinc/14/36/30/935143630.db2.gz DKVMURGIWBKAQV-QGZVFWFLSA-N 1 1 370.522 3.570 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCc2nccs2)c1 ZINC000157681728 935143634 /nfs/dbraw/zinc/14/36/34/935143634.db2.gz DKVMURGIWBKAQV-QGZVFWFLSA-N 1 1 370.522 3.570 20 30 FHEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507246300 945079648 /nfs/dbraw/zinc/07/96/48/945079648.db2.gz DSJXVBMWCSOQHR-IRLDBZIGSA-N 1 1 370.537 3.634 20 30 FHEDMO Cc1ccccc1C1CC([N@@H+](C[C@@H]2CNc3c(C#N)cnn3C2)C2CC2)C1 ZINC000582063493 935196481 /nfs/dbraw/zinc/19/64/81/935196481.db2.gz PBKXGFDEYJXFNT-VXESANQCSA-N 1 1 361.493 3.516 20 30 FHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCSC3(CCC3)CC2)cc1Cl ZINC000563239116 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C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC=C(c3ccco3)C2)c(OC)c1 ZINC000511108830 935606685 /nfs/dbraw/zinc/60/66/85/935606685.db2.gz QPMSCLXIYOQYOP-IBGZPJMESA-N 1 1 369.461 3.546 20 30 FHEDMO CCc1[nH+]ccn1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000158334271 935736899 /nfs/dbraw/zinc/73/68/99/935736899.db2.gz KKIGJJAIFJMHFL-UHFFFAOYSA-N 1 1 365.412 3.503 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000187763941 935808732 /nfs/dbraw/zinc/80/87/32/935808732.db2.gz GYDXGDGCTUKSLR-OAQYLSRUSA-N 1 1 356.416 3.757 20 30 FHEDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046519145 935966571 /nfs/dbraw/zinc/96/65/71/935966571.db2.gz WADXGBSONRDSHM-GFCCVEGCSA-N 1 1 372.812 3.579 20 30 FHEDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046519145 935966573 /nfs/dbraw/zinc/96/65/73/935966573.db2.gz WADXGBSONRDSHM-GFCCVEGCSA-N 1 1 372.812 3.579 20 30 FHEDMO CC(C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C#N)cc1 ZINC000075674591 936014762 /nfs/dbraw/zinc/01/47/62/936014762.db2.gz MNTPXUFTLQBGMY-UHFFFAOYSA-N 1 1 357.417 3.891 20 30 FHEDMO CC(C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C#N)cc1 ZINC000075674591 936014766 /nfs/dbraw/zinc/01/47/66/936014766.db2.gz MNTPXUFTLQBGMY-UHFFFAOYSA-N 1 1 357.417 3.891 20 30 FHEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC(OC4CCCCC4)CC3)o2)cc1 ZINC000075676689 936014867 /nfs/dbraw/zinc/01/48/67/936014867.db2.gz CGUSSBHNTOCMIO-UHFFFAOYSA-N 1 1 366.465 3.922 20 30 FHEDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000075925936 936017482 /nfs/dbraw/zinc/01/74/82/936017482.db2.gz XVXJEFJFOQHDDE-QGZVFWFLSA-N 1 1 367.415 3.571 20 30 FHEDMO N#Cc1cc2c(nc1NC(=O)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCCC2 ZINC000121866021 936024399 /nfs/dbraw/zinc/02/43/99/936024399.db2.gz PUZUNFDVNOFYHF-LJQANCHMSA-N 1 1 374.488 3.683 20 30 FHEDMO C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000077840411 936058367 /nfs/dbraw/zinc/05/83/67/936058367.db2.gz BXJUFYQBZDLRQZ-UWJYYQICSA-N 1 1 362.477 3.583 20 30 FHEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438855820 945144195 /nfs/dbraw/zinc/14/41/95/945144195.db2.gz VMWFVSPOPURJQE-VQTJNVASSA-N 1 1 356.514 3.841 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187767485 936086673 /nfs/dbraw/zinc/08/66/73/936086673.db2.gz CLSXQTOWMGGBQE-GOSISDBHSA-N 1 1 361.348 3.719 20 30 FHEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000582805940 936141801 /nfs/dbraw/zinc/14/18/01/936141801.db2.gz UYBAWTNYIVRORO-UWJYYQICSA-N 1 1 359.473 3.635 20 30 FHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187769812 936159523 /nfs/dbraw/zinc/15/95/23/936159523.db2.gz OLLCRGSBVBQWGV-NRFANRHFSA-N 1 1 374.431 3.839 20 30 FHEDMO CC[C@H](C#N)Sc1nnc([C@@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1 ZINC000126999925 938250249 /nfs/dbraw/zinc/25/02/49/938250249.db2.gz CPKFWAIKDHEXHD-HZPDHXFCSA-N 1 1 359.499 3.683 20 30 FHEDMO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000245538952 938302469 /nfs/dbraw/zinc/30/24/69/938302469.db2.gz ZJSTUBFKRWGEPR-PMACEKPBSA-N 1 1 357.498 3.581 20 30 FHEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245617784 938308031 /nfs/dbraw/zinc/30/80/31/938308031.db2.gz YXCXHQGJMDKPNL-HZPDHXFCSA-N 1 1 351.853 3.669 20 30 FHEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245617784 938308033 /nfs/dbraw/zinc/30/80/33/938308033.db2.gz YXCXHQGJMDKPNL-HZPDHXFCSA-N 1 1 351.853 3.669 20 30 FHEDMO C=C(C)Cn1c(CC)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000583598191 938315273 /nfs/dbraw/zinc/31/52/73/938315273.db2.gz MMTZKMOEMZAPBR-LJQANCHMSA-N 1 1 353.514 3.517 20 30 FHEDMO Cc1nc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)sc1SCC#N ZINC000583600089 938316074 /nfs/dbraw/zinc/31/60/74/938316074.db2.gz LRBBQURODUALAB-CQSZACIVSA-N 1 1 364.540 3.803 20 30 FHEDMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000246049613 938333159 /nfs/dbraw/zinc/33/31/59/938333159.db2.gz XXXIZNYIRFWSCW-UXHICEINSA-N 1 1 357.498 3.581 20 30 FHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246476545 938367943 /nfs/dbraw/zinc/36/79/43/938367943.db2.gz OQZFBNHELOGBHC-BZUAXINKSA-N 1 1 358.511 3.781 20 30 FHEDMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCc4cccnc43)CC2)oc1C ZINC000329395549 938385698 /nfs/dbraw/zinc/38/56/98/938385698.db2.gz UCUXWGCDQNEPRX-SFHVURJKSA-N 1 1 368.481 3.585 20 30 FHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247968591 938522859 /nfs/dbraw/zinc/52/28/59/938522859.db2.gz FFKTUKILQAMROG-FCHUYYIVSA-N 1 1 374.488 3.701 20 30 FHEDMO CCC[N@@H+](C)[C@@H](CNC(=O)N(C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000458765061 938540077 /nfs/dbraw/zinc/54/00/77/938540077.db2.gz JTGSKCXATJLMNA-KRWDZBQOSA-N 1 1 364.921 3.914 20 30 FHEDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000329620330 938549245 /nfs/dbraw/zinc/54/92/45/938549245.db2.gz GQEAGRAXJIDNEZ-QZTJIDSGSA-N 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368.912 3.889 20 30 FHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000134979011 938965412 /nfs/dbraw/zinc/96/54/12/938965412.db2.gz YSRWCHAREIZNIK-GOSISDBHSA-N 1 1 368.912 3.889 20 30 FHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000472327151 938971867 /nfs/dbraw/zinc/97/18/67/938971867.db2.gz LRUITVSBZWJVIB-JJXUHFIVSA-N 1 1 354.425 3.520 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166849285 938995986 /nfs/dbraw/zinc/99/59/86/938995986.db2.gz VDFVFEXYUHDDMW-MRXNPFEDSA-N 1 1 350.422 3.567 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166849401 938996014 /nfs/dbraw/zinc/99/60/14/938996014.db2.gz VDFVFEXYUHDDMW-INIZCTEOSA-N 1 1 350.422 3.567 20 30 FHEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cccc(C#Cc3ccccc3)c1)C2 ZINC000685585167 939002882 /nfs/dbraw/zinc/00/28/82/939002882.db2.gz WVIIBRXBDIRFTA-FQEVSTJZSA-N 1 1 355.441 3.792 20 30 FHEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cccc(C#Cc3ccccc3)c1)C2 ZINC000685585168 939002935 /nfs/dbraw/zinc/00/29/35/939002935.db2.gz WVIIBRXBDIRFTA-HXUWFJFHSA-N 1 1 355.441 3.792 20 30 FHEDMO COc1cc2[nH+]c(NCCc3ccc(C#N)cc3)ccc2c(OC)c1OC ZINC001167678623 939003875 /nfs/dbraw/zinc/00/38/75/939003875.db2.gz RELVTNZEZCSKJR-UHFFFAOYSA-N 1 1 363.417 3.787 20 30 FHEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000548883582 939188950 /nfs/dbraw/zinc/18/89/50/939188950.db2.gz QMAVASWPWUCGED-UXHICEINSA-N 1 1 357.498 3.570 20 30 FHEDMO N#Cc1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000518246480 945243126 /nfs/dbraw/zinc/24/31/26/945243126.db2.gz KGVKDHSQMWDNIN-KRWDZBQOSA-N 1 1 355.388 3.654 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000383105258 945247842 /nfs/dbraw/zinc/24/78/42/945247842.db2.gz HDYHCHXZAVDISO-MRXNPFEDSA-N 1 1 350.422 3.567 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000124386177 945274481 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FHEDMO CC1=C(c2ccco2)C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000548930596 940066175 /nfs/dbraw/zinc/06/61/75/940066175.db2.gz SLVMBILQIZPRCU-FQEVSTJZSA-N 1 1 361.445 3.826 20 30 FHEDMO CC1=C(c2ccco2)C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000548930596 940066179 /nfs/dbraw/zinc/06/61/79/940066179.db2.gz SLVMBILQIZPRCU-FQEVSTJZSA-N 1 1 361.445 3.826 20 30 FHEDMO Cc1ccccc1OCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179891612 940084657 /nfs/dbraw/zinc/08/46/57/940084657.db2.gz UMUPEGDJYQCQNB-UHFFFAOYSA-N 1 1 360.461 3.778 20 30 FHEDMO Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000612461727 940084810 /nfs/dbraw/zinc/08/48/10/940084810.db2.gz RPVAOJXHBZHTHB-QWHCGFSZSA-N 1 1 372.494 3.975 20 30 FHEDMO Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000612461573 940085445 /nfs/dbraw/zinc/08/54/45/940085445.db2.gz JTJMUBQNRWLYQR-GFCCVEGCSA-N 1 1 360.845 3.542 20 30 FHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1c(C)nn(C)c1C ZINC000612488708 940097410 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C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000179986949 940193042 /nfs/dbraw/zinc/19/30/42/940193042.db2.gz QVJKPYKOJBCCNF-VGOFRKELSA-N 1 1 372.472 3.921 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000179986949 940193045 /nfs/dbraw/zinc/19/30/45/940193045.db2.gz QVJKPYKOJBCCNF-VGOFRKELSA-N 1 1 372.472 3.921 20 30 FHEDMO Cc1nc(COc2ccc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cc2)no1 ZINC000180030663 940274704 /nfs/dbraw/zinc/27/47/04/940274704.db2.gz OQUIUJOORJCXBW-UHFFFAOYSA-N 1 1 374.444 3.993 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)nc1 ZINC000570462090 940315509 /nfs/dbraw/zinc/31/55/09/940315509.db2.gz SXESTHSTPKUFPP-MRXNPFEDSA-N 1 1 364.836 3.808 20 30 FHEDMO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1c(F)cncc1F ZINC000376108046 940320358 /nfs/dbraw/zinc/32/03/58/940320358.db2.gz ZYLRBQIWJSOJEE-AWEZNQCLSA-N 1 1 356.420 3.547 20 30 FHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000298790984 945312449 /nfs/dbraw/zinc/31/24/49/945312449.db2.gz YISDOCWRWLVWTH-QWHCGFSZSA-N 1 1 351.376 3.620 20 30 FHEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](C[C@@H](O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000177710858 940373435 /nfs/dbraw/zinc/37/34/35/940373435.db2.gz KURQHGXBVVWUCX-HSZRJFAPSA-N 1 1 373.456 3.871 20 30 FHEDMO Cc1nc(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)cc1C#N ZINC000581343909 940500059 /nfs/dbraw/zinc/50/00/59/940500059.db2.gz HKZDVDHPLIUGFP-HNAYVOBHSA-N 1 1 370.884 3.617 20 30 FHEDMO Cc1nc(N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)cc1C#N ZINC000581343909 940500060 /nfs/dbraw/zinc/50/00/60/940500060.db2.gz HKZDVDHPLIUGFP-HNAYVOBHSA-N 1 1 370.884 3.617 20 30 FHEDMO C[N@H+](Cc1ccc(Br)s1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000177991922 940500090 /nfs/dbraw/zinc/50/00/90/940500090.db2.gz HHKMJCUHQXBNQL-CQSZACIVSA-N 1 1 351.269 3.548 20 30 FHEDMO N#Cc1ccc(C2(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000376238012 940504031 /nfs/dbraw/zinc/50/40/31/940504031.db2.gz BGSQAWYRSSTVOB-NRFANRHFSA-N 1 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C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000414562079 941374126 /nfs/dbraw/zinc/37/41/26/941374126.db2.gz BZWXVQQUGGBNQD-UTKZUKDTSA-N 1 1 350.462 3.730 20 30 FHEDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000414562080 941374271 /nfs/dbraw/zinc/37/42/71/941374271.db2.gz BZWXVQQUGGBNQD-UWJYYQICSA-N 1 1 350.462 3.730 20 30 FHEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000590209491 941438044 /nfs/dbraw/zinc/43/80/44/941438044.db2.gz BUWOUTGKPVUHCU-INIZCTEOSA-N 1 1 351.288 3.776 20 30 FHEDMO C[C@H]1C[C@H](CNC(=O)NCC(C)(C)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000376952171 941475921 /nfs/dbraw/zinc/47/59/21/941475921.db2.gz ZKPVXSYRBFGGAB-PKOBYXMFSA-N 1 1 356.514 3.526 20 30 FHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)CCC#N ZINC000377004756 941488505 /nfs/dbraw/zinc/48/85/05/941488505.db2.gz HNJLCKGDYRJKGT-FQEVSTJZSA-N 1 1 370.541 3.870 20 30 FHEDMO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000414958258 941523052 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C=CCC[C@@H](O)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000472775140 941744962 /nfs/dbraw/zinc/74/49/62/941744962.db2.gz UTUNESRZDHMHFF-GFCCVEGCSA-N 1 1 364.795 3.556 20 30 FHEDMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000377667802 941884041 /nfs/dbraw/zinc/88/40/41/941884041.db2.gz BESWWWNFEXNMGB-HXUWFJFHSA-N 1 1 369.465 3.765 20 30 FHEDMO N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCCc3[nH+]ccn32)cc1 ZINC000365643348 941886400 /nfs/dbraw/zinc/88/64/00/941886400.db2.gz MBTNXLWIDQKKRV-HXUWFJFHSA-N 1 1 356.429 3.616 20 30 FHEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000513398517 941894997 /nfs/dbraw/zinc/89/49/97/941894997.db2.gz ULHURMQPOONFSX-IBGZPJMESA-N 1 1 367.880 3.535 20 30 FHEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000513398517 941895002 /nfs/dbraw/zinc/89/50/02/941895002.db2.gz ULHURMQPOONFSX-IBGZPJMESA-N 1 1 367.880 3.535 20 30 FHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000413824718 941965842 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CCC(CC)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000513712268 942412968 /nfs/dbraw/zinc/41/29/68/942412968.db2.gz BKLBCPDAORHGBS-UHFFFAOYSA-N 1 1 354.454 3.957 20 30 FHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000502447748 942445747 /nfs/dbraw/zinc/44/57/47/942445747.db2.gz UQPGTWCMUVUBDK-HNNXBMFYSA-N 1 1 369.421 3.619 20 30 FHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000502447748 942445754 /nfs/dbraw/zinc/44/57/54/942445754.db2.gz UQPGTWCMUVUBDK-HNNXBMFYSA-N 1 1 369.421 3.619 20 30 FHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000502467726 942466568 /nfs/dbraw/zinc/46/65/68/942466568.db2.gz XLLLRIADFVDQJF-MRXNPFEDSA-N 1 1 353.422 3.918 20 30 FHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000502467726 942466571 /nfs/dbraw/zinc/46/65/71/942466571.db2.gz XLLLRIADFVDQJF-MRXNPFEDSA-N 1 1 353.422 3.918 20 30 FHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000502466518 942466765 /nfs/dbraw/zinc/46/67/65/942466765.db2.gz HHIGOZUVPBESLC-INIZCTEOSA-N 1 1 354.450 3.719 20 30 FHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000502466518 942466770 /nfs/dbraw/zinc/46/67/70/942466770.db2.gz HHIGOZUVPBESLC-INIZCTEOSA-N 1 1 354.450 3.719 20 30 FHEDMO Cc1ccc(OC[C@H](O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000502508215 942485300 /nfs/dbraw/zinc/48/53/00/942485300.db2.gz QCJCKFUDOBPCSC-JOCHJYFZSA-N 1 1 362.473 3.704 20 30 FHEDMO C[C@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000502521991 942496495 /nfs/dbraw/zinc/49/64/95/942496495.db2.gz JTIKBJWTQIPXOW-INIZCTEOSA-N 1 1 363.436 3.664 20 30 FHEDMO C[C@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000502521991 942496498 /nfs/dbraw/zinc/49/64/98/942496498.db2.gz JTIKBJWTQIPXOW-INIZCTEOSA-N 1 1 363.436 3.664 20 30 FHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502554096 942537361 /nfs/dbraw/zinc/53/73/61/942537361.db2.gz OWRZJRCVNINULS-GOSISDBHSA-N 1 1 359.473 3.867 20 30 FHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502554096 942537368 /nfs/dbraw/zinc/53/73/68/942537368.db2.gz OWRZJRCVNINULS-GOSISDBHSA-N 1 1 359.473 3.867 20 30 FHEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458809000 942574588 /nfs/dbraw/zinc/57/45/88/942574588.db2.gz ZRDDRZLGIQWEIQ-HSALFYBXSA-N 1 1 354.498 3.547 20 30 FHEDMO CC(C)(CCC#N)CNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000502622726 942588389 /nfs/dbraw/zinc/58/83/89/942588389.db2.gz OHYQXSZYZWEXSZ-NRFANRHFSA-N 1 1 356.514 3.670 20 30 FHEDMO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(-n2cccn2)c1 ZINC000183570823 942594101 /nfs/dbraw/zinc/59/41/01/942594101.db2.gz SQGUJNWXEKXGQT-HNNXBMFYSA-N 1 1 370.416 3.645 20 30 FHEDMO CC[N@@H+](Cc1ccc(C(=O)NCC#Cc2cccc(F)c2)cc1)C1CC1 ZINC000513913784 942604700 /nfs/dbraw/zinc/60/47/00/942604700.db2.gz VNLLIZUAIZTSER-UHFFFAOYSA-N 1 1 350.437 3.592 20 30 FHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC000366982834 942643142 /nfs/dbraw/zinc/64/31/42/942643142.db2.gz PGEPZPVNZXOXJP-HXUWFJFHSA-N 1 1 371.484 3.810 20 30 FHEDMO C[NH+](C)CCCC1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000501768958 942659365 /nfs/dbraw/zinc/65/93/65/942659365.db2.gz FYRJKENJJSQHDL-UHFFFAOYSA-N 1 1 351.441 3.713 20 30 FHEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000066813039 942710425 /nfs/dbraw/zinc/71/04/25/942710425.db2.gz DYCLOJSDFYIPLD-UHFFFAOYSA-N 1 1 364.449 3.815 20 30 FHEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000434613651 942799639 /nfs/dbraw/zinc/79/96/39/942799639.db2.gz DUODNGPDMJFUTR-OAQYLSRUSA-N 1 1 353.441 3.643 20 30 FHEDMO N#Cc1ccc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)s1 ZINC000367068967 942806630 /nfs/dbraw/zinc/80/66/30/942806630.db2.gz ZSJBFUXQCXVAOK-ZDUSSCGKSA-N 1 1 353.216 3.745 20 30 FHEDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccs1 ZINC000378477331 942812590 /nfs/dbraw/zinc/81/25/90/942812590.db2.gz XLOPZIAKQRXHRM-VQIMIIECSA-N 1 1 365.502 3.726 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCSC(C)(C)CC1 ZINC000434677644 942863305 /nfs/dbraw/zinc/86/33/05/942863305.db2.gz ZJBSJZNTPLNIPH-HNNXBMFYSA-N 1 1 352.569 3.869 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCSC(C)(C)CC2)c1 ZINC000434688693 942865544 /nfs/dbraw/zinc/86/55/44/942865544.db2.gz OTPQVJBVBWSXCD-UHFFFAOYSA-N 1 1 359.539 3.768 20 30 FHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCSC(C)(C)CC1 ZINC000434712831 942875509 /nfs/dbraw/zinc/87/55/09/942875509.db2.gz DSRMJAOVEPCZPE-HNNXBMFYSA-N 1 1 363.502 3.678 20 30 FHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000046751867 942916273 /nfs/dbraw/zinc/91/62/73/942916273.db2.gz MZLMNJUTOXDNBW-LJQANCHMSA-N 1 1 370.541 3.992 20 30 FHEDMO C[C@H](c1cccc(Nc2c(C#N)cccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000425226194 943019225 /nfs/dbraw/zinc/01/92/25/943019225.db2.gz NCBZWNQPVMBHGM-CQSZACIVSA-N 1 1 352.394 3.603 20 30 FHEDMO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505558106 943026671 /nfs/dbraw/zinc/02/66/71/943026671.db2.gz OZRJAUOGLKZXLG-RTWAWAEBSA-N 1 1 368.525 3.744 20 30 FHEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000434904018 943041207 /nfs/dbraw/zinc/04/12/07/943041207.db2.gz MAYMYUBMTCAPRY-HXUWFJFHSA-N 1 1 368.864 3.741 20 30 FHEDMO C=CCOc1ccc(C[N@H+](CC)CC(=O)Nc2cccc(OC)c2)cc1 ZINC000505590661 943107872 /nfs/dbraw/zinc/10/78/72/943107872.db2.gz OKGJGMRDNVTUIJ-UHFFFAOYSA-N 1 1 354.450 3.721 20 30 FHEDMO C=CCOc1ccc(C[N@@H+](CC)CC(=O)Nc2cccc(OC)c2)cc1 ZINC000505590661 943107876 /nfs/dbraw/zinc/10/78/76/943107876.db2.gz OKGJGMRDNVTUIJ-UHFFFAOYSA-N 1 1 354.450 3.721 20 30 FHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000435063975 943137036 /nfs/dbraw/zinc/13/70/36/943137036.db2.gz DGCTZNYJKHQYRC-QMIHWGKISA-N 1 1 352.409 3.789 20 30 FHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000435063975 943137041 /nfs/dbraw/zinc/13/70/41/943137041.db2.gz DGCTZNYJKHQYRC-QMIHWGKISA-N 1 1 352.409 3.789 20 30 FHEDMO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272499276 943166173 /nfs/dbraw/zinc/16/61/73/943166173.db2.gz DHPNAZUDZOSEBC-FQEVSTJZSA-N 1 1 369.509 3.765 20 30 FHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272639788 943190977 /nfs/dbraw/zinc/19/09/77/943190977.db2.gz CCAVTOLTKKLHMS-CABCVRRESA-N 1 1 358.511 3.853 20 30 FHEDMO N#CCCn1cc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435139962 943200695 /nfs/dbraw/zinc/20/06/95/943200695.db2.gz YNPTUEHPRPPYNJ-OAQYLSRUSA-N 1 1 372.476 3.545 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000272710880 943206910 /nfs/dbraw/zinc/20/69/10/943206910.db2.gz KNISULMMKATADG-HUUCEWRRSA-N 1 1 358.511 3.710 20 30 FHEDMO C=CCCCC(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435300958 943320947 /nfs/dbraw/zinc/32/09/47/943320947.db2.gz WYFRFYKGPPEZOY-IBGZPJMESA-N 1 1 352.482 3.933 20 30 FHEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@H]1c1ccccc1 ZINC000566429358 943375633 /nfs/dbraw/zinc/37/56/33/943375633.db2.gz TXGWHBWTATYUBH-VQTJNVASSA-N 1 1 363.461 3.511 20 30 FHEDMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425366052 943376139 /nfs/dbraw/zinc/37/61/39/943376139.db2.gz OHHFDLNGKZAGCA-JKSUJKDBSA-N 1 1 352.434 3.692 20 30 FHEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431927598 943410640 /nfs/dbraw/zinc/41/06/40/943410640.db2.gz ZCAPMTJNTJWTQQ-RBUKOAKNSA-N 1 1 356.514 3.841 20 30 FHEDMO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(c1nccc(C#N)c1Cl)CC2 ZINC000515080099 943490579 /nfs/dbraw/zinc/49/05/79/943490579.db2.gz JDOUTDUXBSVDSR-AWEZNQCLSA-N 1 1 373.913 3.554 20 30 FHEDMO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(c1nccc(C#N)c1Cl)CC2 ZINC000515080099 943490583 /nfs/dbraw/zinc/49/05/83/943490583.db2.gz JDOUTDUXBSVDSR-AWEZNQCLSA-N 1 1 373.913 3.554 20 30 FHEDMO N#Cc1c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cn2ccccc12 ZINC000511628977 943619791 /nfs/dbraw/zinc/61/97/91/943619791.db2.gz ZLUARLIMQRDJMR-FUPPJEDESA-N 1 1 357.457 3.815 20 30 FHEDMO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000424255735 943809055 /nfs/dbraw/zinc/80/90/55/943809055.db2.gz UVPBXIDDXSTKFI-ZACQAIPSSA-N 1 1 363.575 3.589 20 30 FHEDMO COCC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437437900 943815136 /nfs/dbraw/zinc/81/51/36/943815136.db2.gz HRZLOLKXFUDHAH-UHFFFAOYSA-N 1 1 360.404 3.851 20 30 FHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000506055408 943836265 /nfs/dbraw/zinc/83/62/65/943836265.db2.gz DKMSBBHSHZGPQS-ZBFHGGJFSA-N 1 1 352.906 3.993 20 30 FHEDMO CC[N@H+](C[C@H](C)C#N)C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000506055408 943836272 /nfs/dbraw/zinc/83/62/72/943836272.db2.gz DKMSBBHSHZGPQS-ZBFHGGJFSA-N 1 1 352.906 3.993 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000506061533 943871970 /nfs/dbraw/zinc/87/19/70/943871970.db2.gz NSLBDIKBFIHMDP-NHCUHLMSSA-N 1 1 367.489 3.653 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000425424824 943886773 /nfs/dbraw/zinc/88/67/73/943886773.db2.gz NVEQKRURDIAAJU-QZTJIDSGSA-N 1 1 356.514 3.915 20 30 FHEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000504921394 943899461 /nfs/dbraw/zinc/89/94/61/943899461.db2.gz WWGOCPMCHPIBCU-AWEZNQCLSA-N 1 1 368.868 3.780 20 30 FHEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCc3ccc(Br)cc32)C1=O ZINC000500000655 943925392 /nfs/dbraw/zinc/92/53/92/943925392.db2.gz XZKCAFQKABNCCV-SJORKVTESA-N 1 1 363.299 3.545 20 30 FHEDMO CCCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](CCn3ccnc3)C[C@H]21 ZINC001270238331 943949577 /nfs/dbraw/zinc/94/95/77/943949577.db2.gz RCLUNQQYHUJFPH-VQTJNVASSA-N 1 1 360.546 3.557 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000436059435 943979077 /nfs/dbraw/zinc/97/90/77/943979077.db2.gz OBMBRIMNSBVTRJ-RTBURBONSA-N 1 1 373.403 3.692 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000436059435 943979079 /nfs/dbraw/zinc/97/90/79/943979079.db2.gz OBMBRIMNSBVTRJ-RTBURBONSA-N 1 1 373.403 3.692 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000436059432 943979145 /nfs/dbraw/zinc/97/91/45/943979145.db2.gz OBMBRIMNSBVTRJ-MOPGFXCFSA-N 1 1 373.403 3.692 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000436059432 943979146 /nfs/dbraw/zinc/97/91/46/943979146.db2.gz OBMBRIMNSBVTRJ-MOPGFXCFSA-N 1 1 373.403 3.692 20 30 FHEDMO C=CCC1(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000424572737 943989413 /nfs/dbraw/zinc/98/94/13/943989413.db2.gz HYRJCNHJQXNXFQ-OAQYLSRUSA-N 1 1 370.537 3.558 20 30 FHEDMO C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000436100170 944014787 /nfs/dbraw/zinc/01/47/87/944014787.db2.gz JFZARARQMWHAMX-FRRDWIJNSA-N 1 1 369.387 3.699 20 30 FHEDMO CCN(C(=O)c1cc(C#N)oc1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000436134305 944046415 /nfs/dbraw/zinc/04/64/15/944046415.db2.gz DDZVSPWNILUSDP-QAPCUYQASA-N 1 1 351.450 3.757 20 30 FHEDMO N#CCCC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000431969978 944066245 /nfs/dbraw/zinc/06/62/45/944066245.db2.gz GTDFZERHLDHNRQ-AZUAARDMSA-N 1 1 354.498 3.738 20 30 FHEDMO C=CCC1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000424738115 944095669 /nfs/dbraw/zinc/09/56/69/944095669.db2.gz ONAHEFPWBXWXCY-IBGZPJMESA-N 1 1 362.558 3.862 20 30 FHEDMO C=CCC1(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424766883 944106064 /nfs/dbraw/zinc/10/60/64/944106064.db2.gz KLKAOHGTZWWTQY-FPOVZHCZSA-N 1 1 370.537 3.776 20 30 FHEDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cc1OC ZINC000517238302 944133388 /nfs/dbraw/zinc/13/33/88/944133388.db2.gz AMVFGQGECOVHDA-ZDUSSCGKSA-N 1 1 355.394 3.725 20 30 FHEDMO N#CC1(c2ccc(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)cc2)CC1 ZINC000437855397 944175711 /nfs/dbraw/zinc/17/57/11/944175711.db2.gz XQUOMNSWPALUJE-HXUWFJFHSA-N 1 1 351.494 3.769 20 30 FHEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000517317200 944206282 /nfs/dbraw/zinc/20/62/82/944206282.db2.gz KZHVNUQMOTYQFW-UHFFFAOYSA-N 1 1 362.539 3.663 20 30 FHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000426256050 944252571 /nfs/dbraw/zinc/25/25/71/944252571.db2.gz MNVVKEVXQMUKCN-JRGCBEDISA-N 1 1 369.509 3.723 20 30 FHEDMO CCOc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425532880 944256806 /nfs/dbraw/zinc/25/68/06/944256806.db2.gz CVFQEJIFCNMKNB-KRWDZBQOSA-N 1 1 365.477 3.608 20 30 FHEDMO CCOc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425532880 944256814 /nfs/dbraw/zinc/25/68/14/944256814.db2.gz CVFQEJIFCNMKNB-KRWDZBQOSA-N 1 1 365.477 3.608 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000425536479 944283744 /nfs/dbraw/zinc/28/37/44/944283744.db2.gz OQRALKVTYFQDPK-IIBYNOLFSA-N 1 1 358.445 3.618 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000425543295 944294183 /nfs/dbraw/zinc/29/41/83/944294183.db2.gz ZDTZNWHZBONYBB-OAHLLOKOSA-N 1 1 350.418 3.595 20 30 FHEDMO CCC[N@@H+](CCc1cccc(F)c1)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000436409021 944298337 /nfs/dbraw/zinc/29/83/37/944298337.db2.gz IAGDEYBMVHAXAW-UHFFFAOYSA-N 1 1 357.429 3.800 20 30 FHEDMO Cc1ccc(C[C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000500236679 944316541 /nfs/dbraw/zinc/31/65/41/944316541.db2.gz BMZIYYFHHYLUSN-JOCHJYFZSA-N 1 1 361.489 3.949 20 30 FHEDMO N#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000505821839 944321971 /nfs/dbraw/zinc/32/19/71/944321971.db2.gz RHNZMHVDHPKABM-UYAOXDASSA-N 1 1 367.880 3.933 20 30 FHEDMO CN1CC[C@H](CNC(=[NH2+])NC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261938317 944363055 /nfs/dbraw/zinc/36/30/55/944363055.db2.gz FZJGUZPFKWJBCT-RDTXWAMCSA-N 1 1 366.912 3.709 20 30 FHEDMO Cc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c(C#N)cc1N(C)C 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Fc1cc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)cc(C(F)(F)F)c1 ZINC000657551037 936006929 /nfs/dbraw/zinc/00/69/29/936006929.db2.gz XBNQSTWPDUQWHR-UHFFFAOYSA-N 1 1 353.241 3.943 20 30 FHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000472251227 936021943 /nfs/dbraw/zinc/02/19/43/936021943.db2.gz SLQHAFYBUKODEP-INIZCTEOSA-N 1 1 361.917 3.745 20 30 FHEDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1cc(Cl)ccc1OCC#N ZINC000796681542 936066736 /nfs/dbraw/zinc/06/67/36/936066736.db2.gz YFYJJBPNLAVNLJ-UHFFFAOYSA-N 1 1 361.873 3.789 20 30 FHEDMO CN(CCC[N@H+](C)Cc1cc(Cl)ccc1OCC#N)Cc1ccco1 ZINC000796681542 936066740 /nfs/dbraw/zinc/06/67/40/936066740.db2.gz YFYJJBPNLAVNLJ-UHFFFAOYSA-N 1 1 361.873 3.789 20 30 FHEDMO CN(CCC[N@@H+](C)Cc1cc(Cl)ccc1OCC#N)Cc1ccco1 ZINC000796681542 936066746 /nfs/dbraw/zinc/06/67/46/936066746.db2.gz YFYJJBPNLAVNLJ-UHFFFAOYSA-N 1 1 361.873 3.789 20 30 FHEDMO CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000582749184 936068965 /nfs/dbraw/zinc/06/89/65/936068965.db2.gz MDPZEHWRJNROEQ-MRXNPFEDSA-N 1 1 366.465 3.599 20 30 FHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438855818 945144184 /nfs/dbraw/zinc/14/41/84/945144184.db2.gz VMWFVSPOPURJQE-UXHICEINSA-N 1 1 356.514 3.841 20 30 FHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NCc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000187770634 936228432 /nfs/dbraw/zinc/22/84/32/936228432.db2.gz APULQLFMXDLLIJ-XOBRGWDASA-N 1 1 374.431 3.885 20 30 FHEDMO Cc1nsc(N2CC[NH+](Cc3cc(C)nc4ccccc34)CC2)c1C#N ZINC000572890850 936279376 /nfs/dbraw/zinc/27/93/76/936279376.db2.gz OHEROMPLFRJQCZ-UHFFFAOYSA-N 1 1 363.490 3.502 20 30 FHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000329135492 938263732 /nfs/dbraw/zinc/26/37/32/938263732.db2.gz CGAVNJBYULNENJ-NZSAHSFTSA-N 1 1 367.497 3.686 20 30 FHEDMO COc1ccccc1N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000157396263 938352694 /nfs/dbraw/zinc/35/26/94/938352694.db2.gz BCNUXWWXFNHGJC-UHFFFAOYSA-N 1 1 365.477 3.700 20 30 FHEDMO 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356.429 3.943 20 30 FHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000162030545 938601660 /nfs/dbraw/zinc/60/16/60/938601660.db2.gz ITXGBVUAOJEDFO-GDBMZVCRSA-N 1 1 361.461 3.823 20 30 FHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000162030545 938601661 /nfs/dbraw/zinc/60/16/61/938601661.db2.gz ITXGBVUAOJEDFO-GDBMZVCRSA-N 1 1 361.461 3.823 20 30 FHEDMO CCOc1cccc(/C=N\C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1O ZINC000588592078 938673302 /nfs/dbraw/zinc/67/33/02/938673302.db2.gz AWWNSDSUIUCOQR-FVHJOOJJSA-N 1 1 368.477 3.501 20 30 FHEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CC(C)(C)C#N ZINC000278731877 938698439 /nfs/dbraw/zinc/69/84/39/938698439.db2.gz KXLKBDXUTNOJEJ-SFHVURJKSA-N 1 1 365.481 3.517 20 30 FHEDMO COc1sc(C[NH2+]Cc2ccc(C#N)cc2F)cc1Br ZINC000179082184 938711845 /nfs/dbraw/zinc/71/18/45/938711845.db2.gz YLCULSIZUCKZMX-UHFFFAOYSA-N 1 1 355.232 3.820 20 30 FHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000584406792 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371.504 3.745 20 30 FHEDMO C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(-c2ccccc2)cs1 ZINC000548851425 939009710 /nfs/dbraw/zinc/00/97/10/939009710.db2.gz KBLNBLSLRZFSMX-ZDUSSCGKSA-N 1 1 360.446 3.575 20 30 FHEDMO N#Cc1ccc(CC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612131625 939118331 /nfs/dbraw/zinc/11/83/31/939118331.db2.gz GIGGEPREGZMAJG-RJGXRXQPSA-N 1 1 373.500 3.518 20 30 FHEDMO C[C@@]1(C#N)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000612162781 939162384 /nfs/dbraw/zinc/16/23/84/939162384.db2.gz QWAWWHHKMFWBRR-FQEVSTJZSA-N 1 1 370.522 3.843 20 30 FHEDMO C[C@@]1(C#N)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000612162781 939162386 /nfs/dbraw/zinc/16/23/86/939162386.db2.gz QWAWWHHKMFWBRR-FQEVSTJZSA-N 1 1 370.522 3.843 20 30 FHEDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cccn2Cc2ccccc2C#N)C1 ZINC000188322613 939182600 /nfs/dbraw/zinc/18/26/00/939182600.db2.gz MDYJSYVYDDZHNR-LJQANCHMSA-N 1 1 373.504 3.596 20 30 FHEDMO N#CCc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1 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N#Cc1c(F)ccc(CNC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1Cl ZINC000365402408 940152318 /nfs/dbraw/zinc/15/23/18/940152318.db2.gz BLYFUYNNUICFLV-MRXNPFEDSA-N 1 1 372.875 3.748 20 30 FHEDMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC(C)(C)C#N ZINC000612585523 940161716 /nfs/dbraw/zinc/16/17/16/940161716.db2.gz IRPMHTFOQMHDEM-UHFFFAOYSA-N 1 1 361.287 3.891 20 30 FHEDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000179953968 940169034 /nfs/dbraw/zinc/16/90/34/940169034.db2.gz HMRRUMCHLMHDME-RYUDHWBXSA-N 1 1 359.401 3.594 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000376003169 940171424 /nfs/dbraw/zinc/17/14/24/940171424.db2.gz JESBDZYTYDYTTR-RDTXWAMCSA-N 1 1 357.841 3.536 20 30 FHEDMO COc1ccc2c(c1)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000179992776 940200608 /nfs/dbraw/zinc/20/06/08/940200608.db2.gz IOHCFCXOIMJBSO-UHFFFAOYSA-N 1 1 358.445 3.526 20 30 FHEDMO COc1ccc(C[NH2+]Cc2nn(C)c3ccccc23)cc1OCCCC#N ZINC000612692024 940224143 /nfs/dbraw/zinc/22/41/43/940224143.db2.gz DUYXXHPDXFOQRD-UHFFFAOYSA-N 1 1 364.449 3.554 20 30 FHEDMO O=C(Nc1cccc(C#Cc2cccs2)c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000612906397 940333314 /nfs/dbraw/zinc/33/33/14/940333314.db2.gz XPDFFSFTPUQYEJ-WOJBJXKFSA-N 1 1 365.502 3.896 20 30 FHEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000580120660 940461546 /nfs/dbraw/zinc/46/15/46/940461546.db2.gz GRVKTTFOXZEVHM-UHFFFAOYSA-N 1 1 359.477 3.657 20 30 FHEDMO C[N@H+](CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000066394606 940477702 /nfs/dbraw/zinc/47/77/02/940477702.db2.gz YNXZDWLBHISZSX-INIZCTEOSA-N 1 1 362.260 3.806 20 30 FHEDMO C[N@@H+](CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000066394606 940477704 /nfs/dbraw/zinc/47/77/04/940477704.db2.gz YNXZDWLBHISZSX-INIZCTEOSA-N 1 1 362.260 3.806 20 30 FHEDMO C=CC[N@H+](CCc1nnnn1-c1ccccc1)Cc1ccc(Cl)s1 ZINC000613334183 940604395 /nfs/dbraw/zinc/60/43/95/940604395.db2.gz LXSGMESKTKRHKV-UHFFFAOYSA-N 1 1 359.886 3.608 20 30 FHEDMO CN(CC[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000180126019 940611695 /nfs/dbraw/zinc/61/16/95/940611695.db2.gz BGCJZUKTIONOEJ-UHFFFAOYSA-N 1 1 359.477 3.527 20 30 FHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(F)c(F)c1 ZINC000187791353 940721249 /nfs/dbraw/zinc/72/12/49/940721249.db2.gz FFTNLYKCWJXIPN-KSSFIOAISA-N 1 1 361.436 3.903 20 30 FHEDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C[C@]2(CCOC2)O1 ZINC000330073955 945346020 /nfs/dbraw/zinc/34/60/20/945346020.db2.gz KWQYMKZJFFBHBG-IKVWTGGYSA-N 1 1 360.498 3.671 20 30 FHEDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C[C@]2(CCOC2)O1 ZINC000330073955 945346032 /nfs/dbraw/zinc/34/60/32/945346032.db2.gz KWQYMKZJFFBHBG-IKVWTGGYSA-N 1 1 360.498 3.671 20 30 FHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1(C)C ZINC000180188764 940787264 /nfs/dbraw/zinc/78/72/64/940787264.db2.gz YIWBNUBLACSHKT-RTBURBONSA-N 1 1 352.482 3.594 20 30 FHEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440258642 945348549 /nfs/dbraw/zinc/34/85/49/945348549.db2.gz ISCAZKWYYKEJCU-SFHVURJKSA-N 1 1 364.411 3.580 20 30 FHEDMO C=CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000376340811 940803755 /nfs/dbraw/zinc/80/37/55/940803755.db2.gz MCRYGASFLBYHJO-UNMCSNQZSA-N 1 1 363.505 3.770 20 30 FHEDMO C=CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000376340809 940803862 /nfs/dbraw/zinc/80/38/62/940803862.db2.gz MCRYGASFLBYHJO-IRLDBZIGSA-N 1 1 363.505 3.770 20 30 FHEDMO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)sc1C ZINC000332879720 940874784 /nfs/dbraw/zinc/87/47/84/940874784.db2.gz AKUCURZAQMWRKA-WBVHZDCISA-N 1 1 374.554 3.671 20 30 FHEDMO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)sc1C ZINC000332879720 940874787 /nfs/dbraw/zinc/87/47/87/940874787.db2.gz AKUCURZAQMWRKA-WBVHZDCISA-N 1 1 374.554 3.671 20 30 FHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000175528991 940877997 /nfs/dbraw/zinc/87/79/97/940877997.db2.gz LIKPCDFBVZDZHB-GOSISDBHSA-N 1 1 365.502 3.948 20 30 FHEDMO N#CC(CC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21)(c1ccccc1)c1ccccc1 ZINC000472575655 940900160 /nfs/dbraw/zinc/90/01/60/940900160.db2.gz VDNKXVSKBDJVPY-VXKWHMMOSA-N 1 1 373.500 3.629 20 30 FHEDMO N#CC(CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21)(c1ccccc1)c1ccccc1 ZINC000472575655 940900163 /nfs/dbraw/zinc/90/01/63/940900163.db2.gz VDNKXVSKBDJVPY-VXKWHMMOSA-N 1 1 373.500 3.629 20 30 FHEDMO C[NH+](C)[C@H](CNC(=O)c1cccc(SCC#N)c1)c1ccccc1Cl ZINC000175994781 940970019 /nfs/dbraw/zinc/97/00/19/940970019.db2.gz WYOIXNRHQQSMSK-GOSISDBHSA-N 1 1 373.909 3.988 20 30 FHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](C4CC4)C3)sc2C1 ZINC000330129608 945369077 /nfs/dbraw/zinc/36/90/77/945369077.db2.gz KBLJXUALNDBWJZ-DYVFJYSZSA-N 1 1 373.522 3.833 20 30 FHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@H](C4CC4)C3)sc2C1 ZINC000330129608 945369088 /nfs/dbraw/zinc/36/90/88/945369088.db2.gz KBLJXUALNDBWJZ-DYVFJYSZSA-N 1 1 373.522 3.833 20 30 FHEDMO C=CC(C)(C)NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000892637392 941057718 /nfs/dbraw/zinc/05/77/18/941057718.db2.gz PALOPCJASLNSQR-UHFFFAOYSA-N 1 1 368.481 3.570 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)c1C#N ZINC000177229044 941109575 /nfs/dbraw/zinc/10/95/75/941109575.db2.gz FCZKKXUKAASFBI-INIZCTEOSA-N 1 1 368.481 3.677 20 30 FHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CC2(c3ccccc3)CC2)c(C#N)c1C ZINC000189298965 941155802 /nfs/dbraw/zinc/15/58/02/941155802.db2.gz JTNAKCVKDVZEHC-OAHLLOKOSA-N 1 1 351.450 3.759 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000178544958 941274360 /nfs/dbraw/zinc/27/43/60/941274360.db2.gz SLURBLSXTQCXIJ-IBGZPJMESA-N 1 1 362.477 3.553 20 30 FHEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000178797883 941305665 /nfs/dbraw/zinc/30/56/65/941305665.db2.gz YXDVAKMAFDCGFG-MRXNPFEDSA-N 1 1 359.518 3.604 20 30 FHEDMO C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181502230 941355855 /nfs/dbraw/zinc/35/58/55/941355855.db2.gz UOQWOLDEPJEXKE-APWZRJJASA-N 1 1 371.550 3.561 20 30 FHEDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000414562077 941374249 /nfs/dbraw/zinc/37/42/49/941374249.db2.gz BZWXVQQUGGBNQD-DYESRHJHSA-N 1 1 350.462 3.730 20 30 FHEDMO C[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000376661770 941375487 /nfs/dbraw/zinc/37/54/87/941375487.db2.gz UQARYGJMMIXOKP-RDJZCZTQSA-N 1 1 362.543 3.760 20 30 FHEDMO CC(C)(CCC#N)CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000376671730 941376704 /nfs/dbraw/zinc/37/67/04/941376704.db2.gz KEIFSGMDHAIFOY-INIZCTEOSA-N 1 1 362.543 3.589 20 30 FHEDMO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000376708129 941385586 /nfs/dbraw/zinc/38/55/86/941385586.db2.gz YYIMEBGPBLXDSU-MJGOQNOKSA-N 1 1 356.514 3.669 20 30 FHEDMO C[C@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376928630 941468666 /nfs/dbraw/zinc/46/86/66/941468666.db2.gz CMVSDYLTVLNOKC-HKUYNNGSSA-N 1 1 356.514 3.526 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)NCC(C)(C)CCC#N ZINC000377032863 941498466 /nfs/dbraw/zinc/49/84/66/941498466.db2.gz RZYAUORCNGUHRS-QUCCMNQESA-N 1 1 370.541 3.868 20 30 FHEDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1C#N)c1ccccc1Cl ZINC000549168960 941576204 /nfs/dbraw/zinc/57/62/04/941576204.db2.gz PITSQWKFGYHDOC-KRWDZBQOSA-N 1 1 360.820 3.775 20 30 FHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000472747870 941668036 /nfs/dbraw/zinc/66/80/36/941668036.db2.gz IBBRFHFRHXGFTC-XJKSGUPXSA-N 1 1 371.262 3.755 20 30 FHEDMO COc1ccc(OC)c(C[N@@H+](Cc2ccc(OCC#N)cc2)C2CC2)c1 ZINC000729267534 941705425 /nfs/dbraw/zinc/70/54/25/941705425.db2.gz WJIQRTZJDBIJSF-UHFFFAOYSA-N 1 1 352.434 3.771 20 30 FHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1OC(F)F ZINC000729267370 941705728 /nfs/dbraw/zinc/70/57/28/941705728.db2.gz SMAXUIYTPVUGCS-UHFFFAOYSA-N 1 1 362.376 3.831 20 30 FHEDMO C#CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C1CCCCC1 ZINC000783014872 941718046 /nfs/dbraw/zinc/71/80/46/941718046.db2.gz LFPUUOMDCNUTSK-UHFFFAOYSA-N 1 1 358.392 3.613 20 30 FHEDMO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000010037220 941723264 /nfs/dbraw/zinc/72/32/64/941723264.db2.gz ZQQISAZGCAMXCL-UHFFFAOYSA-N 1 1 371.868 3.727 20 30 FHEDMO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000010037220 941723268 /nfs/dbraw/zinc/72/32/68/941723268.db2.gz ZQQISAZGCAMXCL-UHFFFAOYSA-N 1 1 371.868 3.727 20 30 FHEDMO N#CCSCCC[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377496500 941768654 /nfs/dbraw/zinc/76/86/54/941768654.db2.gz UAZKLRHUOVHFLT-HNNXBMFYSA-N 1 1 360.401 3.605 20 30 FHEDMO N#CCSCCC[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377496500 941768659 /nfs/dbraw/zinc/76/86/59/941768659.db2.gz UAZKLRHUOVHFLT-HNNXBMFYSA-N 1 1 360.401 3.605 20 30 FHEDMO CN1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H]1c1ccccc1Cl ZINC000377521920 941782607 /nfs/dbraw/zinc/78/26/07/941782607.db2.gz AVAPCDAVKJAZGC-LJQANCHMSA-N 1 1 361.917 3.729 20 30 FHEDMO C=CCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000467284350 941800345 /nfs/dbraw/zinc/80/03/45/941800345.db2.gz QOEVWSWKLCYQAL-UHFFFAOYSA-N 1 1 368.456 3.610 20 30 FHEDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cccc2C#N)[C@H]1c1cccs1 ZINC000513281065 941828379 /nfs/dbraw/zinc/82/83/79/941828379.db2.gz JKWGDBVNASIIIC-YWZLYKJASA-N 1 1 371.481 3.501 20 30 FHEDMO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460566630 941847563 /nfs/dbraw/zinc/84/75/63/941847563.db2.gz SSBRBFWJNDJFQU-DNVCBOLYSA-N 1 1 371.529 3.898 20 30 FHEDMO Cc1cc(C[C@H](C)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)n[nH]1 ZINC000136806013 941872586 /nfs/dbraw/zinc/87/25/86/941872586.db2.gz KNKSYXICLPOGGQ-INIZCTEOSA-N 1 1 360.461 3.890 20 30 FHEDMO CC(C)NC(=O)N1CCCCC[C@@H]1C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000377661370 941876609 /nfs/dbraw/zinc/87/66/09/941876609.db2.gz FOVRXYQNKJMNBQ-UYAOXDASSA-N 1 1 373.545 3.505 20 30 FHEDMO N#CC1(CCC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000377758811 941965190 /nfs/dbraw/zinc/96/51/90/941965190.db2.gz IRYHSBJPSVQZRF-FCHUYYIVSA-N 1 1 367.537 3.541 20 30 FHEDMO N#CC1(CCC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000377758811 941965191 /nfs/dbraw/zinc/96/51/91/941965191.db2.gz IRYHSBJPSVQZRF-FCHUYYIVSA-N 1 1 367.537 3.541 20 30 FHEDMO N#CC1(CCC[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000377758811 941965194 /nfs/dbraw/zinc/96/51/94/941965194.db2.gz IRYHSBJPSVQZRF-FCHUYYIVSA-N 1 1 367.537 3.541 20 30 FHEDMO N#CC1(CCC[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000377758811 941965196 /nfs/dbraw/zinc/96/51/96/941965196.db2.gz IRYHSBJPSVQZRF-FCHUYYIVSA-N 1 1 367.537 3.541 20 30 FHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433957328 942016655 /nfs/dbraw/zinc/01/66/55/942016655.db2.gz IQWMWGOLSIJTAX-OAQYLSRUSA-N 1 1 368.525 3.743 20 30 FHEDMO CC(C)Cc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513659173 942060096 /nfs/dbraw/zinc/06/00/96/942060096.db2.gz DGUHEZDABRWTTR-WMZHIEFXSA-N 1 1 359.473 3.731 20 30 FHEDMO CC(C)Cc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513659173 942060100 /nfs/dbraw/zinc/06/01/00/942060100.db2.gz DGUHEZDABRWTTR-WMZHIEFXSA-N 1 1 359.473 3.731 20 30 FHEDMO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1noc(-c2ccccc2)n1 ZINC000513660675 942070201 /nfs/dbraw/zinc/07/02/01/942070201.db2.gz JORVAPSDGBAOJQ-INIZCTEOSA-N 1 1 373.460 3.928 20 30 FHEDMO CCC[N@@H+](C)[C@H](CNC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000501859212 942093749 /nfs/dbraw/zinc/09/37/49/942093749.db2.gz OTRQGLPDUHWKDH-MRXNPFEDSA-N 1 1 350.894 3.572 20 30 FHEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CCCC#N)c3ccccc3)CC[C@@H]21 ZINC000458809109 942245496 /nfs/dbraw/zinc/24/54/96/942245496.db2.gz ZWKRMNMCPRASDJ-AQNXPRMDSA-N 1 1 354.498 3.547 20 30 FHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(CN3CCOCC3)c2)C2CC2)cc1 ZINC000420903297 942246512 /nfs/dbraw/zinc/24/65/12/942246512.db2.gz NYVXMASWWVGVPL-UHFFFAOYSA-N 1 1 361.489 3.555 20 30 FHEDMO 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942462714 /nfs/dbraw/zinc/46/27/14/942462714.db2.gz GBZODVOXHLUXLR-INIZCTEOSA-N 1 1 351.450 3.660 20 30 FHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000502462290 942462719 /nfs/dbraw/zinc/46/27/19/942462719.db2.gz GBZODVOXHLUXLR-INIZCTEOSA-N 1 1 351.450 3.660 20 30 FHEDMO C[C@H]1CN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000421323576 942482425 /nfs/dbraw/zinc/48/24/25/942482425.db2.gz ILIFUWNRHRYNEX-IRXDYDNUSA-N 1 1 367.468 3.596 20 30 FHEDMO C[C@@H](CNC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502512317 942488831 /nfs/dbraw/zinc/48/88/31/942488831.db2.gz SKEQHYYIURHLKI-RBUKOAKNSA-N 1 1 373.500 3.956 20 30 FHEDMO C[C@@H](CNC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502512317 942488838 /nfs/dbraw/zinc/48/88/38/942488838.db2.gz SKEQHYYIURHLKI-RBUKOAKNSA-N 1 1 373.500 3.956 20 30 FHEDMO N#Cc1ccc(C2=CC[N@H+]([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000502530428 942503895 /nfs/dbraw/zinc/50/38/95/942503895.db2.gz 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C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502551897 942535588 /nfs/dbraw/zinc/53/55/88/942535588.db2.gz CQCWVLIYCJNCFD-FGTMMUONSA-N 1 1 351.494 3.540 20 30 FHEDMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502551897 942535593 /nfs/dbraw/zinc/53/55/93/942535593.db2.gz CQCWVLIYCJNCFD-FGTMMUONSA-N 1 1 351.494 3.540 20 30 FHEDMO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502554542 942536295 /nfs/dbraw/zinc/53/62/95/942536295.db2.gz QROSRLVCUVKHCS-UWJYYQICSA-N 1 1 351.494 3.827 20 30 FHEDMO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502554542 942536302 /nfs/dbraw/zinc/53/63/02/942536302.db2.gz QROSRLVCUVKHCS-UWJYYQICSA-N 1 1 351.494 3.827 20 30 FHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000501708194 942631617 /nfs/dbraw/zinc/63/16/17/942631617.db2.gz GPEYXOMFAGFUJI-KDURUIRLSA-N 1 1 370.541 3.848 20 30 FHEDMO Cc1c(C#N)c(C#N)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000421563663 942649009 /nfs/dbraw/zinc/64/90/09/942649009.db2.gz XUCKYICXKJPAED-IBGZPJMESA-N 1 1 358.445 3.589 20 30 FHEDMO COCC[N@@H+](C)CCCC1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000501783827 942671746 /nfs/dbraw/zinc/67/17/46/942671746.db2.gz AMZWQWZCADHNHT-UHFFFAOYSA-N 1 1 362.945 3.762 20 30 FHEDMO C=CCOc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000501824841 942693147 /nfs/dbraw/zinc/69/31/47/942693147.db2.gz IEZRRPDLLOJKLS-PKOBYXMFSA-N 1 1 371.525 3.704 20 30 FHEDMO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000425086909 942720638 /nfs/dbraw/zinc/72/06/38/942720638.db2.gz NTQKHVHZEQWVGZ-DZKIICNBSA-N 1 1 367.415 3.676 20 30 FHEDMO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000425086910 942720686 /nfs/dbraw/zinc/72/06/86/942720686.db2.gz NTQKHVHZEQWVGZ-LZWOXQAQSA-N 1 1 367.415 3.676 20 30 FHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434496429 942722813 /nfs/dbraw/zinc/72/28/13/942722813.db2.gz IDQQZAPXJRYDLJ-MRXNPFEDSA-N 1 1 351.425 3.846 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC000481148470 942729046 /nfs/dbraw/zinc/72/90/46/942729046.db2.gz WXTZISORFLXJFV-BBRMVZONSA-N 1 1 350.304 3.625 20 30 FHEDMO C=CCCCCCCCCC(=O)N1CCC2(C[NH+](CCN(C)C)C2)CC1 ZINC001269810474 942765220 /nfs/dbraw/zinc/76/52/20/942765220.db2.gz WFQLOFLEPOFOJS-UHFFFAOYSA-N 1 1 363.590 3.779 20 30 FHEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000514169519 942797156 /nfs/dbraw/zinc/79/71/56/942797156.db2.gz IVNYQFKOJGYVJC-GOSISDBHSA-N 1 1 353.491 3.964 20 30 FHEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000502903950 942844674 /nfs/dbraw/zinc/84/46/74/942844674.db2.gz PHXQDGREODPRNO-OAQYLSRUSA-N 1 1 351.425 3.766 20 30 FHEDMO C=CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(CC)cc3)C2)cc1 ZINC000505460875 942846410 /nfs/dbraw/zinc/84/64/10/942846410.db2.gz OVXQGHWYAMVJLE-OAQYLSRUSA-N 1 1 350.462 3.601 20 30 FHEDMO CC1(C)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1C(F)(F)F 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FPPVDVUNUCFJQO-LJQANCHMSA-N 1 1 365.477 3.976 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000163951848 942883520 /nfs/dbraw/zinc/88/35/20/942883520.db2.gz JOIVJMRQPYBTOC-KRWDZBQOSA-N 1 1 353.491 3.570 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000163951940 942883662 /nfs/dbraw/zinc/88/36/62/942883662.db2.gz JOIVJMRQPYBTOC-QGZVFWFLSA-N 1 1 353.491 3.570 20 30 FHEDMO C[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1ccc(C#N)cc1 ZINC000047994241 942934134 /nfs/dbraw/zinc/93/41/34/942934134.db2.gz DTLXUHVKBSPWJH-KUHUBIRLSA-N 1 1 370.884 3.875 20 30 FHEDMO CCn1nccc1C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000434792459 942970830 /nfs/dbraw/zinc/97/08/30/942970830.db2.gz DXCSFFRKHCVKON-UHFFFAOYSA-N 1 1 373.298 3.917 20 30 FHEDMO C=CCN1C(=O)c2ccccc2N[C@H]1c1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000378645022 942992214 /nfs/dbraw/zinc/99/22/14/942992214.db2.gz ZJJSNPWCJZXRDP-GOSISDBHSA-N 1 1 368.506 3.662 20 30 FHEDMO C[C@@H](CCNC(=O)C1(c2cccc(C#N)c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000434841078 942996794 /nfs/dbraw/zinc/99/67/94/942996794.db2.gz DZRSIZAKFTXTQB-SFHVURJKSA-N 1 1 361.489 3.617 20 30 FHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000434907796 943045070 /nfs/dbraw/zinc/04/50/70/943045070.db2.gz UDEKBHWOTNJYNJ-HSZRJFAPSA-N 1 1 361.489 3.519 20 30 FHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000272388028 943147962 /nfs/dbraw/zinc/14/79/62/943147962.db2.gz HVVVESSYTZGVRI-SFHVURJKSA-N 1 1 368.525 3.754 20 30 FHEDMO N#Cc1nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)ccc1C(F)(F)F ZINC000425270891 943148003 /nfs/dbraw/zinc/14/80/03/943148003.db2.gz BFPPZEIWNYZNDB-MAUKXSAKSA-N 1 1 372.394 3.683 20 30 FHEDMO N#CCCn1cc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435139959 943200816 /nfs/dbraw/zinc/20/08/16/943200816.db2.gz YNPTUEHPRPPYNJ-NRFANRHFSA-N 1 1 372.476 3.545 20 30 FHEDMO Cn1nccc1[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000514708944 943237901 /nfs/dbraw/zinc/23/79/01/943237901.db2.gz FPSOXTFQKMQGSN-MRXNPFEDSA-N 1 1 363.383 3.550 20 30 FHEDMO COCC[N@@H+](C)CC[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000505640609 943275246 /nfs/dbraw/zinc/27/52/46/943275246.db2.gz XFNJJEFKAPHZNB-LJQANCHMSA-N 1 1 359.420 3.958 20 30 FHEDMO C[NH+](C)[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)c1ccccc1Cl ZINC000503696908 943338564 /nfs/dbraw/zinc/33/85/64/943338564.db2.gz LRWJYRHGSKSEHD-KRWDZBQOSA-N 1 1 362.260 3.898 20 30 FHEDMO C=CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1c[nH]c2ccccc12 ZINC001269959626 943419313 /nfs/dbraw/zinc/41/93/13/943419313.db2.gz HVALMDGVJXEFTB-QRQLOZEOSA-N 1 1 351.494 3.598 20 30 FHEDMO N#Cc1c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cn2ccccc12 ZINC000515123814 943516205 /nfs/dbraw/zinc/51/62/05/943516205.db2.gz WPLAHEIUORYICD-IBGZPJMESA-N 1 1 359.429 3.919 20 30 FHEDMO N#Cc1c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cn2ccccc12 ZINC000515123814 943516210 /nfs/dbraw/zinc/51/62/10/943516210.db2.gz WPLAHEIUORYICD-IBGZPJMESA-N 1 1 359.429 3.919 20 30 FHEDMO C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000423468248 943524164 /nfs/dbraw/zinc/52/41/64/943524164.db2.gz JTGSAMNPWLKWIN-ADLFWFRXSA-N 1 1 355.432 3.880 20 30 FHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCSC[C@@H](C)C2)c1C#N ZINC000584815841 943669136 /nfs/dbraw/zinc/66/91/36/943669136.db2.gz GBCVDUUJJWNMNN-AWEZNQCLSA-N 1 1 374.554 3.715 20 30 FHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCSC[C@@H](C)C2)c1C#N ZINC000584815841 943669139 /nfs/dbraw/zinc/66/91/39/943669139.db2.gz GBCVDUUJJWNMNN-AWEZNQCLSA-N 1 1 374.554 3.715 20 30 FHEDMO CC[C@](C)(C#N)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000504580292 943677410 /nfs/dbraw/zinc/67/74/10/943677410.db2.gz RZIHRKYOGHMOBS-HSZRJFAPSA-N 1 1 361.489 3.860 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000558098382 943722076 /nfs/dbraw/zinc/72/20/76/943722076.db2.gz KECJNYBNTFJLBR-GUYCJALGSA-N 1 1 350.304 3.625 20 30 FHEDMO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000424234943 943799469 /nfs/dbraw/zinc/79/94/69/943799469.db2.gz DWGRXGWZZOMGBF-DLBZAZTESA-N 1 1 363.575 3.590 20 30 FHEDMO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000424234963 943799611 /nfs/dbraw/zinc/79/96/11/943799611.db2.gz DWGRXGWZZOMGBF-SJORKVTESA-N 1 1 363.575 3.590 20 30 FHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000506055407 943836066 /nfs/dbraw/zinc/83/60/66/943836066.db2.gz DKMSBBHSHZGPQS-HOCLYGCPSA-N 1 1 352.906 3.993 20 30 FHEDMO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000506055407 943836073 /nfs/dbraw/zinc/83/60/73/943836073.db2.gz DKMSBBHSHZGPQS-HOCLYGCPSA-N 1 1 352.906 3.993 20 30 FHEDMO Cc1c([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)nnn1-c1cccc(Br)c1 ZINC000424316835 943840886 /nfs/dbraw/zinc/84/08/86/943840886.db2.gz BMNPXLNEQUVMLN-OSAQELSMSA-N 1 1 374.286 3.681 20 30 FHEDMO C=CCOc1ccc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000437469099 943840932 /nfs/dbraw/zinc/84/09/32/943840932.db2.gz GHXLVQSYJMZPSL-IBGZPJMESA-N 1 1 364.489 3.988 20 30 FHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000437504569 943868460 /nfs/dbraw/zinc/86/84/60/943868460.db2.gz MBPGRSPBRWONCH-DLBZAZTESA-N 1 1 363.914 3.900 20 30 FHEDMO CO[C@H](C)c1nc(CN2CCC[N@@H+](CCCC(C)(C)C#N)CC2)cs1 ZINC000437515867 943874912 /nfs/dbraw/zinc/87/49/12/943874912.db2.gz NYGBVRNFWISVKP-MRXNPFEDSA-N 1 1 364.559 3.688 20 30 FHEDMO N#Cc1cccc(OC2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000515491657 943938666 /nfs/dbraw/zinc/93/86/66/943938666.db2.gz JRQGKQYQKVUDLB-OAQYLSRUSA-N 1 1 361.489 3.676 20 30 FHEDMO N#Cc1cccc(OC2CC[NH+]([C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000515491657 943938670 /nfs/dbraw/zinc/93/86/70/943938670.db2.gz JRQGKQYQKVUDLB-OAQYLSRUSA-N 1 1 361.489 3.676 20 30 FHEDMO CCCCCCCCCC(=O)N1CCCC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001270238596 943951361 /nfs/dbraw/zinc/95/13/61/943951361.db2.gz ZYDDATJPEPWJJT-UHFFFAOYSA-N 1 1 360.546 3.975 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000436059434 943978958 /nfs/dbraw/zinc/97/89/58/943978958.db2.gz OBMBRIMNSBVTRJ-RBUKOAKNSA-N 1 1 373.403 3.692 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000436059434 943978961 /nfs/dbraw/zinc/97/89/61/943978961.db2.gz OBMBRIMNSBVTRJ-RBUKOAKNSA-N 1 1 373.403 3.692 20 30 FHEDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)n1 ZINC000181625632 943981194 /nfs/dbraw/zinc/98/11/94/943981194.db2.gz JOKWJOADNSFTNH-MRXNPFEDSA-N 1 1 360.870 3.656 20 30 FHEDMO C=CCCc1ccccc1NC(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000505057048 943999152 /nfs/dbraw/zinc/99/91/52/943999152.db2.gz GIOCRMGBQCWOBV-LJQANCHMSA-N 1 1 359.514 3.770 20 30 FHEDMO CCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000436134303 944046793 /nfs/dbraw/zinc/04/67/93/944046793.db2.gz DDZVSPWNILUSDP-CRAIPNDOSA-N 1 1 351.450 3.757 20 30 FHEDMO C=CCC1(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424766886 944105949 /nfs/dbraw/zinc/10/59/49/944105949.db2.gz KLKAOHGTZWWTQY-PZJWPPBQSA-N 1 1 370.537 3.776 20 30 FHEDMO CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)Cc2ccccn2)cc1)C1CC1 ZINC000505201546 944131824 /nfs/dbraw/zinc/13/18/24/944131824.db2.gz VIWMSJKXDHWLGK-UHFFFAOYSA-N 1 1 362.477 3.622 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437824958 944149721 /nfs/dbraw/zinc/14/97/21/944149721.db2.gz SCMFIEZUSCWRDK-DYESRHJHSA-N 1 1 365.452 3.778 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437824958 944149723 /nfs/dbraw/zinc/14/97/23/944149723.db2.gz SCMFIEZUSCWRDK-DYESRHJHSA-N 1 1 365.452 3.778 20 30 FHEDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)C[C@H]1c1ccc(F)cc1F ZINC000425513094 944190853 /nfs/dbraw/zinc/19/08/53/944190853.db2.gz QZEAIYYROMDRNB-ZNZDAUKMSA-N 1 1 370.399 3.786 20 30 FHEDMO C=CCCCCCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N(C)CCOC ZINC001280191701 944243398 /nfs/dbraw/zinc/24/33/98/944243398.db2.gz UPYFYKHUVWQOPL-PZJWPPBQSA-N 1 1 350.547 3.862 20 30 FHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000426256049 944252548 /nfs/dbraw/zinc/25/25/48/944252548.db2.gz MNVVKEVXQMUKCN-DUXKGJEZSA-N 1 1 369.509 3.723 20 30 FHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000426256052 944252777 /nfs/dbraw/zinc/25/27/77/944252777.db2.gz MNVVKEVXQMUKCN-UIFIKXQLSA-N 1 1 369.509 3.723 20 30 FHEDMO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)C2CC2)o1 ZINC000425531433 944254879 /nfs/dbraw/zinc/25/48/79/944254879.db2.gz HKOOQXRMNFCWOP-INIZCTEOSA-N 1 1 351.450 3.644 20 30 FHEDMO Cc1ccc(CN(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)C2CC2)o1 ZINC000425531433 944254887 /nfs/dbraw/zinc/25/48/87/944254887.db2.gz HKOOQXRMNFCWOP-INIZCTEOSA-N 1 1 351.450 3.644 20 30 FHEDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000425529917 944263167 /nfs/dbraw/zinc/26/31/67/944263167.db2.gz DBAUFGUBCOQSQI-ZDUSSCGKSA-N 1 1 357.841 3.852 20 30 FHEDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000425529917 944263174 /nfs/dbraw/zinc/26/31/74/944263174.db2.gz DBAUFGUBCOQSQI-ZDUSSCGKSA-N 1 1 357.841 3.852 20 30 FHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(F)c(C#N)c3)cc2)C1 ZINC000506465765 944270958 /nfs/dbraw/zinc/27/09/58/944270958.db2.gz JVEAEYPJDVLUCY-MRXNPFEDSA-N 1 1 365.452 3.859 20 30 FHEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C#N)s1 ZINC000473598800 944296033 /nfs/dbraw/zinc/29/60/33/944296033.db2.gz LABCGZBIUJIXFW-LJQANCHMSA-N 1 1 367.518 3.823 20 30 FHEDMO C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000614524392 944315064 /nfs/dbraw/zinc/31/50/64/944315064.db2.gz XHYGGYXBQPDWTP-OAHLLOKOSA-N 1 1 362.477 3.796 20 30 FHEDMO C=CCOc1cccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000506500388 944390650 /nfs/dbraw/zinc/39/06/50/944390650.db2.gz UNWHZRYTUZNSJO-UHFFFAOYSA-N 1 1 356.510 3.866 20 30 FHEDMO N#Cc1ccc(NC(=O)CC[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000506497303 944396462 /nfs/dbraw/zinc/39/64/62/944396462.db2.gz XTULTCMJKKNLMX-UHFFFAOYSA-N 1 1 351.425 3.733 20 30 FHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(F)c(C#N)c2)C1 ZINC000506514914 944440162 /nfs/dbraw/zinc/44/01/62/944440162.db2.gz GWKWYUMCZODGRN-INIZCTEOSA-N 1 1 365.452 3.859 20 30 FHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(C#N)cs3)cc2)C1 ZINC000438270571 944453841 /nfs/dbraw/zinc/45/38/41/944453841.db2.gz MLUSKDFEJVFNBE-HNNXBMFYSA-N 1 1 353.491 3.782 20 30 FHEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000425975684 944475581 /nfs/dbraw/zinc/47/55/81/944475581.db2.gz FVESSBBYLXORNX-IBGZPJMESA-N 1 1 369.440 3.947 20 30 FHEDMO C=CCOc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390624375 944580309 /nfs/dbraw/zinc/58/03/09/944580309.db2.gz HPCJHTPLIWRPPK-QHCPKHFHSA-N 1 1 366.505 3.632 20 30 FHEDMO C=CCOc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390624375 944580313 /nfs/dbraw/zinc/58/03/13/944580313.db2.gz HPCJHTPLIWRPPK-QHCPKHFHSA-N 1 1 366.505 3.632 20 30 FHEDMO N#Cc1ccc(C[NH+]2CCC(CCCN3CCOCC3)CC2)c(Cl)c1 ZINC000439438278 944616961 /nfs/dbraw/zinc/61/69/61/944616961.db2.gz LZFZWFSXMMFCBT-UHFFFAOYSA-N 1 1 361.917 3.536 20 30 FHEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)n1 ZINC000439439346 944617250 /nfs/dbraw/zinc/61/72/50/944617250.db2.gz MOFSBHCVDPOPNR-QGZVFWFLSA-N 1 1 368.868 3.766 20 30 FHEDMO C[C@@H](c1cccc(Nc2ccc(C#N)cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000517796301 944623932 /nfs/dbraw/zinc/62/39/32/944623932.db2.gz ZSXCWLMIIAEOLP-AWEZNQCLSA-N 1 1 352.394 3.603 20 30 FHEDMO N#Cc1ccc2nc(NC[C@H](c3ccccc3)[NH+]3CCOCC3)ccc2c1 ZINC000092887213 944662539 /nfs/dbraw/zinc/66/25/39/944662539.db2.gz UHIITDPDIGXDDW-OAQYLSRUSA-N 1 1 358.445 3.592 20 30 FHEDMO C[N@H+](CCCOCc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000439481809 944681897 /nfs/dbraw/zinc/68/18/97/944681897.db2.gz NDRUWBWDMQAPFN-UHFFFAOYSA-N 1 1 362.433 3.647 20 30 FHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000439481809 944681901 /nfs/dbraw/zinc/68/19/01/944681901.db2.gz NDRUWBWDMQAPFN-UHFFFAOYSA-N 1 1 362.433 3.647 20 30 FHEDMO Cc1ccccc1OCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000053721365 944747753 /nfs/dbraw/zinc/74/77/53/944747753.db2.gz BMSIYOKBABHDMV-QGZVFWFLSA-N 1 1 351.450 3.595 20 30 FHEDMO Cc1[nH+]ccn1CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000517903506 944796604 /nfs/dbraw/zinc/79/66/04/944796604.db2.gz PPDSWXBZHWSEKS-UHFFFAOYSA-N 1 1 361.405 3.677 20 30 FHEDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000518815190 944809718 /nfs/dbraw/zinc/80/97/18/944809718.db2.gz AZKYJHJPDDPYRH-BETUJISGSA-N 1 1 355.404 3.877 20 30 FHEDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000015144269 944824015 /nfs/dbraw/zinc/82/40/15/944824015.db2.gz SQQYJTWYDRGBMD-ZDUSSCGKSA-N 1 1 357.841 3.679 20 30 FHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000015144269 944824018 /nfs/dbraw/zinc/82/40/18/944824018.db2.gz SQQYJTWYDRGBMD-ZDUSSCGKSA-N 1 1 357.841 3.679 20 30 FHEDMO COc1cccc(-c2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)cc2)c1 ZINC000439639376 944824680 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C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl ZINC000426139434 944997588 /nfs/dbraw/zinc/99/75/88/944997588.db2.gz LQJQPOIWYKYTAZ-LBPRGKRZSA-N 1 1 362.260 3.832 20 30 FHEDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438783405 945027676 /nfs/dbraw/zinc/02/76/76/945027676.db2.gz PQWDGUIMFHRTKH-MRXNPFEDSA-N 1 1 371.843 3.576 20 30 FHEDMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000507206766 945031436 /nfs/dbraw/zinc/03/14/36/945031436.db2.gz AGFDFEJHKAJPBA-UHFFFAOYSA-N 1 1 364.401 3.732 20 30 FHEDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)c1 ZINC000426157821 945034989 /nfs/dbraw/zinc/03/49/89/945034989.db2.gz YJOMDEYAAZKHBI-UHFFFAOYSA-N 1 1 368.868 3.870 20 30 FHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000437115513 945037084 /nfs/dbraw/zinc/03/70/84/945037084.db2.gz IWSMJTQOOMEMLT-GGPKGHCWSA-N 1 1 370.880 3.851 20 30 FHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000437115513 945037093 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FHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000520523904 948230458 /nfs/dbraw/zinc/23/04/58/948230458.db2.gz OEQHQGLVYXQBPQ-HNNXBMFYSA-N 1 1 350.865 3.687 20 30 FHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000520523904 948230467 /nfs/dbraw/zinc/23/04/67/948230467.db2.gz OEQHQGLVYXQBPQ-HNNXBMFYSA-N 1 1 350.865 3.687 20 30 FHEDMO CC(C)(C#N)c1ccccc1C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718623 948234401 /nfs/dbraw/zinc/23/44/01/948234401.db2.gz PANUJBLBDWWELZ-HSZRJFAPSA-N 1 1 364.489 3.641 20 30 FHEDMO COCC[N@@H+](C)CCCC1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000585719432 948234831 /nfs/dbraw/zinc/23/48/31/948234831.db2.gz TZSAGDCTEKYXSK-FQEVSTJZSA-N 1 1 363.933 3.975 20 30 FHEDMO C=CCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H](C)COC ZINC000663583854 948254419 /nfs/dbraw/zinc/25/44/19/948254419.db2.gz WXDLYRXHFKWXBH-RBUKOAKNSA-N 1 1 373.541 3.794 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cscc1C#N ZINC000432396830 948326661 /nfs/dbraw/zinc/32/66/61/948326661.db2.gz FMINRIUOZGEGFT-OAHLLOKOSA-N 1 1 353.491 3.924 20 30 FHEDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000614609799 948370887 /nfs/dbraw/zinc/37/08/87/948370887.db2.gz PXCAEAPVGCHVGI-UHFFFAOYSA-N 1 1 350.809 3.636 20 30 FHEDMO CC[N@@H+](CCc1cccs1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278990315 948376834 /nfs/dbraw/zinc/37/68/34/948376834.db2.gz BELVTAIABGJVBD-UHFFFAOYSA-N 1 1 365.506 3.985 20 30 FHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000512166093 948605166 /nfs/dbraw/zinc/60/51/66/948605166.db2.gz MFFYADNKFRTZFA-IBGZPJMESA-N 1 1 373.493 3.515 20 30 FHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459134873 948665090 /nfs/dbraw/zinc/66/50/90/948665090.db2.gz ATJCGTRSSUQPSQ-UHFFFAOYSA-N 1 1 355.935 3.974 20 30 FHEDMO Cc1ccnn1C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC001141664425 948823206 /nfs/dbraw/zinc/82/32/06/948823206.db2.gz KPZJKHSKMFTTNQ-UHFFFAOYSA-N 1 1 359.271 3.663 20 30 FHEDMO N#Cc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000041400497 205090444 /nfs/dbraw/zinc/09/04/44/205090444.db2.gz UFKXUDRRFBAQOT-IBGZPJMESA-N 1 1 353.853 3.779 20 30 FHEDMO O=C(NCc1csc(=O)[nH]1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000328602978 527585610 /nfs/dbraw/zinc/58/56/10/527585610.db2.gz DNYKVQVRURLJLS-DNVCBOLYSA-N 1 1 357.479 3.608 20 30 FHEDMO C=CCN(CC1CCCCC1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000601733991 567820937 /nfs/dbraw/zinc/82/09/37/567820937.db2.gz ATIPROYBZNVJIO-NRFANRHFSA-N 1 1 355.526 3.889 20 30 FHEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCCC(C)(C)C#N ZINC000186276878 567896918 /nfs/dbraw/zinc/89/69/18/567896918.db2.gz QDRKQNBDACPREY-MRXNPFEDSA-N 1 1 363.527 3.549 20 30 FHEDMO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1C[C@@H](C)CCC#N ZINC000602597761 567999931 /nfs/dbraw/zinc/99/99/31/567999931.db2.gz DAWSNUIGPZPNMX-LAUBAEHRSA-N 1 1 366.509 3.861 20 30 FHEDMO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602597761 567999933 /nfs/dbraw/zinc/99/99/33/567999933.db2.gz DAWSNUIGPZPNMX-LAUBAEHRSA-N 1 1 366.509 3.861 20 30 FHEDMO Cc1cc(Cl)c2ncc(C#N)c(N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)c2c1 ZINC000568535665 568048565 /nfs/dbraw/zinc/04/85/65/568048565.db2.gz GEHDZVNNRHLZOM-UONOGXRCSA-N 1 1 358.873 3.589 20 30 FHEDMO CCOc1cc(C[NH+]2CCC(CC#N)CC2)cc(Br)c1O ZINC000563110822 568196977 /nfs/dbraw/zinc/19/69/77/568196977.db2.gz VGNUVSXJKFBFNV-UHFFFAOYSA-N 1 1 353.260 3.679 20 30 FHEDMO Cc1ccc([C@H](C)[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)c(C)c1 ZINC000604081568 568209133 /nfs/dbraw/zinc/20/91/33/568209133.db2.gz XFQGREGUJUNXEC-AZUAARDMSA-N 1 1 352.478 3.802 20 30 FHEDMO N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C1)CCC2 ZINC000481990576 568215917 /nfs/dbraw/zinc/21/59/17/568215917.db2.gz DXMBBIZSUWCLFA-NZQKXSOJSA-N 1 1 372.516 3.933 20 30 FHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(Br)c(C#N)cc2F)C1 ZINC000568917144 568252086 /nfs/dbraw/zinc/25/20/86/568252086.db2.gz WCCQXJISTCLXMI-GFCCVEGCSA-N 1 1 354.267 3.628 20 30 FHEDMO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000303638360 568268089 /nfs/dbraw/zinc/26/80/89/568268089.db2.gz HHOKNOYEBFHKHV-MMOPVJDHSA-N 1 1 357.473 3.626 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)nc1 ZINC000569018230 568271498 /nfs/dbraw/zinc/27/14/98/568271498.db2.gz XSFMLBWITJGZSZ-MRXNPFEDSA-N 1 1 363.396 3.522 20 30 FHEDMO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000008168853 568278274 /nfs/dbraw/zinc/27/82/74/568278274.db2.gz MMVKGDDCOVAUCV-IBGZPJMESA-N 1 1 353.853 3.779 20 30 FHEDMO N#CCCCOc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000604384831 568288101 /nfs/dbraw/zinc/28/81/01/568288101.db2.gz HSDPTMLYFJECGD-NRFANRHFSA-N 1 1 363.461 3.972 20 30 FHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604503376 568302110 /nfs/dbraw/zinc/30/21/10/568302110.db2.gz IRKMBJPVNKQRID-IFMALSPDSA-N 1 1 352.478 3.966 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000604608347 568326176 /nfs/dbraw/zinc/32/61/76/568326176.db2.gz NXENMTZENZOUEV-SFTDATJTSA-N 1 1 369.530 3.945 20 30 FHEDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000569629530 568411123 /nfs/dbraw/zinc/41/11/23/568411123.db2.gz KTKWRBODSLVFTJ-QGZVFWFLSA-N 1 1 351.288 3.551 20 30 FHEDMO N#Cc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569533088 568405965 /nfs/dbraw/zinc/40/59/65/568405965.db2.gz BDLJWGXDIYSAQS-HXUWFJFHSA-N 1 1 362.477 3.982 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000032832302 568410232 /nfs/dbraw/zinc/41/02/32/568410232.db2.gz JOEGDUMWIOURHJ-SJKOYZFVSA-N 1 1 356.297 3.868 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000032832302 568410233 /nfs/dbraw/zinc/41/02/33/568410233.db2.gz JOEGDUMWIOURHJ-SJKOYZFVSA-N 1 1 356.297 3.868 20 30 FHEDMO CCOc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000569764765 568422488 /nfs/dbraw/zinc/42/24/88/568422488.db2.gz VLJCIDILYWIOAB-UHFFFAOYSA-N 1 1 369.421 3.514 20 30 FHEDMO C=CC[N@H+](Cc1ccc(OC(C)C)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735419135 598353731 /nfs/dbraw/zinc/35/37/31/598353731.db2.gz PMCLKXBLNLUELS-UHFFFAOYSA-N 1 1 363.465 3.842 20 30 FHEDMO C=CC[N@@H+](Cc1cnc(C(C)C)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914815 608632577 /nfs/dbraw/zinc/63/25/77/608632577.db2.gz NZOPHEDYYUJHOV-UHFFFAOYSA-N 1 1 354.483 3.635 20 30 FHEDMO C=CC[N@H+](Cc1cnc(C(C)C)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914815 608632578 /nfs/dbraw/zinc/63/25/78/608632578.db2.gz NZOPHEDYYUJHOV-UHFFFAOYSA-N 1 1 354.483 3.635 20 30 FHEDMO N#Cc1cc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164626495 719051519 /nfs/dbraw/zinc/05/15/19/719051519.db2.gz SBMABDWATHWGFO-ZWKOTPCHSA-N 1 1 352.869 3.707 20 30 FHEDMO N#Cc1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164627290 719058313 /nfs/dbraw/zinc/05/83/13/719058313.db2.gz QKYHWXQRQAGPLK-MJGOQNOKSA-N 1 1 352.869 3.707 20 30 FHEDMO N#Cc1cc(Cl)cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164630407 719090729 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FHEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000091510197 936325335 /nfs/dbraw/zinc/32/53/35/936325335.db2.gz VBSXSJZGCJOURU-IBGZPJMESA-N 1 1 358.526 3.907 20 30 FHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1C ZINC000161479020 936339752 /nfs/dbraw/zinc/33/97/52/936339752.db2.gz JSCAQRRXDHXHFR-HXUWFJFHSA-N 1 1 350.466 3.715 20 30 FHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1C ZINC000161479020 936339758 /nfs/dbraw/zinc/33/97/58/936339758.db2.gz JSCAQRRXDHXHFR-HXUWFJFHSA-N 1 1 350.466 3.715 20 30 FHEDMO N#Cc1cccc(CCNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000583099678 937121371 /nfs/dbraw/zinc/12/13/71/937121371.db2.gz UNQXPOIZHJWHSB-ISKFKSNPSA-N 1 1 373.500 3.519 20 30 FHEDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)c1C ZINC000161543409 937147240 /nfs/dbraw/zinc/14/72/40/937147240.db2.gz GBIKVFDZPQLUTH-UHFFFAOYSA-N 1 1 364.493 3.724 20 30 FHEDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)c1C ZINC000161543409 937147243 /nfs/dbraw/zinc/14/72/43/937147243.db2.gz GBIKVFDZPQLUTH-UHFFFAOYSA-N 1 1 364.493 3.724 20 30 FHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1 ZINC000430171505 927511624 /nfs/dbraw/zinc/51/16/24/927511624.db2.gz WFZXFVRVRHTQPE-HBUWYVDXSA-N 1 1 351.416 3.739 20 30 FHEDMO COCC[N@H+](CCCOc1ccc(F)cc1)Cc1ccc(F)cc1C#N ZINC000583160913 937191820 /nfs/dbraw/zinc/19/18/20/937191820.db2.gz WPXCERRYTAUHFV-UHFFFAOYSA-N 1 1 360.404 3.754 20 30 FHEDMO COCC[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(F)cc1C#N ZINC000583160913 937191822 /nfs/dbraw/zinc/19/18/22/937191822.db2.gz WPXCERRYTAUHFV-UHFFFAOYSA-N 1 1 360.404 3.754 20 30 FHEDMO C=CCCCNC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000448044813 937210530 /nfs/dbraw/zinc/21/05/30/937210530.db2.gz XIQAOGRXJPWBDL-PXNSSMCTSA-N 1 1 358.530 3.598 20 30 FHEDMO C=CCCCNC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000448044813 937210531 /nfs/dbraw/zinc/21/05/31/937210531.db2.gz XIQAOGRXJPWBDL-PXNSSMCTSA-N 1 1 358.530 3.598 20 30 FHEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000583185207 937214016 /nfs/dbraw/zinc/21/40/16/937214016.db2.gz HUVDGBLNKNCVBI-MSOLQXFVSA-N 1 1 357.479 3.651 20 30 FHEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)c1C ZINC000610215099 928147989 /nfs/dbraw/zinc/14/79/89/928147989.db2.gz SEUBAYAQBGPFLS-DENIHFKCSA-N 1 1 350.462 3.752 20 30 FHEDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000430224126 928296778 /nfs/dbraw/zinc/29/67/78/928296778.db2.gz YWWWVANFQBDWPS-UHFFFAOYSA-N 1 1 367.405 3.518 20 30 FHEDMO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(C)(C)C(=O)OCC)CC2)c1C ZINC000510108780 928350094 /nfs/dbraw/zinc/35/00/94/928350094.db2.gz NUARYGGPMAIUQJ-UHFFFAOYSA-N 1 1 374.525 3.775 20 30 FHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@@H]2CCCOC2)c1C#N ZINC000510113677 928420128 /nfs/dbraw/zinc/42/01/28/928420128.db2.gz RIMFFWUGJUOBCX-GOSISDBHSA-N 1 1 372.513 3.531 20 30 FHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@@H]2CCCOC2)c1C#N ZINC000510113677 928420138 /nfs/dbraw/zinc/42/01/38/928420138.db2.gz RIMFFWUGJUOBCX-GOSISDBHSA-N 1 1 372.513 3.531 20 30 FHEDMO CC[N@@H+](CCCc1ccc(C#N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208863119 928812320 /nfs/dbraw/zinc/81/23/20/928812320.db2.gz XKQTVGZCJYBHIH-IBGZPJMESA-N 1 1 357.498 3.822 20 30 FHEDMO C=CCN(CC[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1)C(=O)OCC ZINC001209021326 929077425 /nfs/dbraw/zinc/07/74/25/929077425.db2.gz XNOHEQSYIVKFRZ-UHFFFAOYSA-N 1 1 356.388 3.708 20 30 FHEDMO C=CCN(CC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1)C(=O)OCC ZINC001209021326 929077437 /nfs/dbraw/zinc/07/74/37/929077437.db2.gz XNOHEQSYIVKFRZ-UHFFFAOYSA-N 1 1 356.388 3.708 20 30 FHEDMO C=CCN(CC[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1)C(=O)OCC ZINC001209021323 929077652 /nfs/dbraw/zinc/07/76/52/929077652.db2.gz XHYSKEKLLSFZMB-KRWDZBQOSA-N 1 1 352.475 3.637 20 30 FHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CCOc2ccc(C#N)cc2OC)cc1 ZINC000535625585 929227415 /nfs/dbraw/zinc/22/74/15/929227415.db2.gz DYLOQBIAGWLYMZ-QGZVFWFLSA-N 1 1 368.477 3.765 20 30 FHEDMO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000187222277 929583806 /nfs/dbraw/zinc/58/38/06/929583806.db2.gz DBZNEVZPFPOYRI-LJQANCHMSA-N 1 1 367.880 3.662 20 30 FHEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001209240364 929611651 /nfs/dbraw/zinc/61/16/51/929611651.db2.gz WDQDNKSKUZFBEW-FQEVSTJZSA-N 1 1 364.436 3.618 20 30 FHEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000683680548 929767568 /nfs/dbraw/zinc/76/75/68/929767568.db2.gz QUWABGLJQDNPTK-MAUKXSAKSA-N 1 1 358.507 3.935 20 30 FHEDMO C=C(C)[C@@H](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)OCC ZINC000533764410 929970085 /nfs/dbraw/zinc/97/00/85/929970085.db2.gz ZDXGTCSTFZBFSO-MRXNPFEDSA-N 1 1 351.516 3.829 20 30 FHEDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC000580035345 930044772 /nfs/dbraw/zinc/04/47/72/930044772.db2.gz YKZJWHXJDUOXNH-XMSQKQJNSA-N 1 1 369.892 3.734 20 30 FHEDMO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348817 930062292 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ZINC000177899791 931523963 /nfs/dbraw/zinc/52/39/63/931523963.db2.gz OEFFBAZMECRTFM-CQSZACIVSA-N 1 1 371.510 3.774 20 30 FHEDMO CCCCc1nnc(NC(=O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)s1 ZINC000177899791 931523966 /nfs/dbraw/zinc/52/39/66/931523966.db2.gz OEFFBAZMECRTFM-CQSZACIVSA-N 1 1 371.510 3.774 20 30 FHEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000610476894 931556935 /nfs/dbraw/zinc/55/69/35/931556935.db2.gz RIQLSHZQUMXVLU-BSLALVQMSA-N 1 1 368.452 3.715 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)s1 ZINC000581217177 931693507 /nfs/dbraw/zinc/69/35/07/931693507.db2.gz BNYNFWXRNHTPFB-GFCCVEGCSA-N 1 1 353.369 3.687 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)s1 ZINC000581217177 931693518 /nfs/dbraw/zinc/69/35/18/931693518.db2.gz BNYNFWXRNHTPFB-GFCCVEGCSA-N 1 1 353.369 3.687 20 30 FHEDMO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc(OC(F)(F)F)c1 ZINC000092008768 931738752 /nfs/dbraw/zinc/73/87/52/931738752.db2.gz JCRFDQDOOYTSBH-UHFFFAOYSA-N 1 1 360.339 3.737 20 30 FHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc(OC(F)(F)F)c1 ZINC000092008768 931738755 /nfs/dbraw/zinc/73/87/55/931738755.db2.gz JCRFDQDOOYTSBH-UHFFFAOYSA-N 1 1 360.339 3.737 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000177965676 931799299 /nfs/dbraw/zinc/79/92/99/931799299.db2.gz BXHMJMOTJIWDBH-SFHVURJKSA-N 1 1 353.510 3.604 20 30 FHEDMO Cn1cc(C[N@H+](CCC#N)CC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093101092 931870705 /nfs/dbraw/zinc/87/07/05/931870705.db2.gz DAYJHJPXPNQUFW-UHFFFAOYSA-N 1 1 355.442 3.757 20 30 FHEDMO Cn1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093101092 931870708 /nfs/dbraw/zinc/87/07/08/931870708.db2.gz DAYJHJPXPNQUFW-UHFFFAOYSA-N 1 1 355.442 3.757 20 30 FHEDMO CSCC[C@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000126497418 931902153 /nfs/dbraw/zinc/90/21/53/931902153.db2.gz ZQAZVTBZCDDGLI-ZDUSSCGKSA-N 1 1 365.568 3.901 20 30 FHEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(OC)c(C#N)c1 ZINC000135202063 932046941 /nfs/dbraw/zinc/04/69/41/932046941.db2.gz RGNTVHBFRFOLNT-UHFFFAOYSA-N 1 1 351.450 3.644 20 30 FHEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(OC)c(C#N)c1 ZINC000135202063 932046944 /nfs/dbraw/zinc/04/69/44/932046944.db2.gz RGNTVHBFRFOLNT-UHFFFAOYSA-N 1 1 351.450 3.644 20 30 FHEDMO C=CCn1c(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC000581517104 932194977 /nfs/dbraw/zinc/19/49/77/932194977.db2.gz OJBUWBZLOWMYRN-SFHVURJKSA-N 1 1 367.541 3.862 20 30 FHEDMO C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000581544667 932229872 /nfs/dbraw/zinc/22/98/72/932229872.db2.gz MQLKAPDUIZGCHI-FXAWDEMLSA-N 1 1 368.525 3.943 20 30 FHEDMO N#Cc1ccccc1CSCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178084098 932350178 /nfs/dbraw/zinc/35/01/78/932350178.db2.gz OFGGBYZHGAGNLV-SFHVURJKSA-N 1 1 371.550 3.562 20 30 FHEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000477188120 932380021 /nfs/dbraw/zinc/38/00/21/932380021.db2.gz MWURXEJNWRBDDQ-YADHBBJMSA-N 1 1 361.489 3.833 20 30 FHEDMO N#Cc1cccc(OCCC[N@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000477287670 932452932 /nfs/dbraw/zinc/45/29/32/932452932.db2.gz SJICPBRTUUBSFP-QFIPXVFZSA-N 1 1 350.462 3.699 20 30 FHEDMO Cc1nn(C(C)C)c(C)c1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000891540560 932726091 /nfs/dbraw/zinc/72/60/91/932726091.db2.gz PFWFMCCUMUESBV-UHFFFAOYSA-N 1 1 365.525 3.660 20 30 FHEDMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000891540560 932726094 /nfs/dbraw/zinc/72/60/94/932726094.db2.gz PFWFMCCUMUESBV-UHFFFAOYSA-N 1 1 365.525 3.660 20 30 FHEDMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000891540560 932726098 /nfs/dbraw/zinc/72/60/98/932726098.db2.gz PFWFMCCUMUESBV-UHFFFAOYSA-N 1 1 365.525 3.660 20 30 FHEDMO CC(C)(CC#N)CNc1cc(NCC(C)(C)CC#N)c2ccncc2[nH+]1 ZINC000413416550 932796861 /nfs/dbraw/zinc/79/68/61/932796861.db2.gz XWHXEOPBAXGXKI-UHFFFAOYSA-N 1 1 350.470 3.755 20 30 FHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)C1CC1 ZINC000548287945 932832905 /nfs/dbraw/zinc/83/29/05/932832905.db2.gz LHGTVDRAFYGGJS-FQEVSTJZSA-N 1 1 367.880 3.852 20 30 FHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)CCC2CC2)c1C#N ZINC000135296029 932834108 /nfs/dbraw/zinc/83/41/08/932834108.db2.gz NJCFLDJLOCKTFU-UHFFFAOYSA-N 1 1 364.493 3.695 20 30 FHEDMO CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000135320197 932849891 /nfs/dbraw/zinc/84/98/91/932849891.db2.gz BWULZRWKIBJXQR-SFHVURJKSA-N 1 1 365.481 3.583 20 30 FHEDMO C=CC[C@H](C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000548299263 932887472 /nfs/dbraw/zinc/88/74/72/932887472.db2.gz LHTPEFKSXGCKRS-QFIPXVFZSA-N 1 1 363.505 3.732 20 30 FHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000510692688 933439169 /nfs/dbraw/zinc/43/91/69/933439169.db2.gz HCWWFXITWLTYAR-JKSUJKDBSA-N 1 1 358.486 3.587 20 30 FHEDMO O=C(C[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)NC1CCCCC1 ZINC000328971159 933514393 /nfs/dbraw/zinc/51/43/93/933514393.db2.gz BLSVJFNYEXOXMT-LJQANCHMSA-N 1 1 350.890 3.609 20 30 FHEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000610676650 933737917 /nfs/dbraw/zinc/73/79/17/933737917.db2.gz QAJITQCZMAZMOX-IBGZPJMESA-N 1 1 362.477 3.617 20 30 FHEDMO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC000510813515 933783909 /nfs/dbraw/zinc/78/39/09/933783909.db2.gz VKQAAYITHXMSBQ-UHFFFAOYSA-N 1 1 356.857 3.592 20 30 FHEDMO N#Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)ccc1F ZINC000510840460 933839485 /nfs/dbraw/zinc/83/94/85/933839485.db2.gz DFNRQKUBMAIZPQ-QGZVFWFLSA-N 1 1 373.378 3.793 20 30 FHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(OC)c1OC ZINC000092504324 934065115 /nfs/dbraw/zinc/06/51/15/934065115.db2.gz CQBHOGMNMISFAK-UHFFFAOYSA-N 1 1 352.434 3.772 20 30 FHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(OC)c1OC ZINC000092504324 934065129 /nfs/dbraw/zinc/06/51/29/934065129.db2.gz CQBHOGMNMISFAK-UHFFFAOYSA-N 1 1 352.434 3.772 20 30 FHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@@H](C)O)C2CCCCC2)c1C#N ZINC000091068504 934153684 /nfs/dbraw/zinc/15/36/84/934153684.db2.gz DIDSQZMKGROJMQ-MRXNPFEDSA-N 1 1 352.482 3.568 20 30 FHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C[C@@H](C)O)C2CCCCC2)c1C#N ZINC000091068504 934153689 /nfs/dbraw/zinc/15/36/89/934153689.db2.gz DIDSQZMKGROJMQ-MRXNPFEDSA-N 1 1 352.482 3.568 20 30 FHEDMO COc1ccc(CN2CC[N@@H+](C)CC23CCCCC3)cc1OCCCC#N ZINC000093872066 934181331 /nfs/dbraw/zinc/18/13/31/934181331.db2.gz HUXIQYORXGTKSX-UHFFFAOYSA-N 1 1 371.525 3.828 20 30 FHEDMO COc1ccc(C[N@@H+]2CCN(C)CC23CCCCC3)cc1OCCCC#N ZINC000093872066 934181345 /nfs/dbraw/zinc/18/13/45/934181345.db2.gz HUXIQYORXGTKSX-UHFFFAOYSA-N 1 1 371.525 3.828 20 30 FHEDMO COc1ccc(C[N@H+]2CCN(C)CC23CCCCC3)cc1OCCCC#N ZINC000093872066 934181352 /nfs/dbraw/zinc/18/13/52/934181352.db2.gz HUXIQYORXGTKSX-UHFFFAOYSA-N 1 1 371.525 3.828 20 30 FHEDMO N#CC1(F)CC[NH+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000510966426 934238060 /nfs/dbraw/zinc/23/80/60/934238060.db2.gz ICWZFAOVWFGECK-KRWDZBQOSA-N 1 1 370.424 3.546 20 30 FHEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000535778671 934367666 /nfs/dbraw/zinc/36/76/66/934367666.db2.gz SAIWHGHRQDUWMV-JOCHJYFZSA-N 1 1 372.472 3.544 20 30 FHEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000535778671 934367676 /nfs/dbraw/zinc/36/76/76/934367676.db2.gz SAIWHGHRQDUWMV-JOCHJYFZSA-N 1 1 372.472 3.544 20 30 FHEDMO CC[C@@](C)(C#N)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000375646568 934605842 /nfs/dbraw/zinc/60/58/42/934605842.db2.gz HNYPYLYPHYCYDT-SFHVURJKSA-N 1 1 367.415 3.726 20 30 FHEDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000610991552 934719955 /nfs/dbraw/zinc/71/99/55/934719955.db2.gz KKBPAYRREDEELB-LJQANCHMSA-N 1 1 352.434 3.921 20 30 FHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000610991552 934719961 /nfs/dbraw/zinc/71/99/61/934719961.db2.gz KKBPAYRREDEELB-LJQANCHMSA-N 1 1 352.434 3.921 20 30 FHEDMO C=C(C)[C@H](CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)OCC ZINC000535914630 934785669 /nfs/dbraw/zinc/78/56/69/934785669.db2.gz MIKMUVLUEPLNAU-XLIONFOSSA-N 1 1 360.498 3.717 20 30 FHEDMO COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000380694563 934874738 /nfs/dbraw/zinc/87/47/38/934874738.db2.gz MNHWOZMUEFUUKX-NRFANRHFSA-N 1 1 363.505 3.959 20 30 FHEDMO COc1cc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000380694563 934874742 /nfs/dbraw/zinc/87/47/42/934874742.db2.gz MNHWOZMUEFUUKX-NRFANRHFSA-N 1 1 363.505 3.959 20 30 FHEDMO COc1cc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000380694563 934874745 /nfs/dbraw/zinc/87/47/45/934874745.db2.gz MNHWOZMUEFUUKX-NRFANRHFSA-N 1 1 363.505 3.959 20 30 FHEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000156709960 934896307 /nfs/dbraw/zinc/89/63/07/934896307.db2.gz GAUXZEOGYMAUMS-UFYCRDLUSA-N 1 1 354.450 3.553 20 30 FHEDMO COc1ccc(C#N)cc1C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000538945727 934969800 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CC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000612828390 940299673 /nfs/dbraw/zinc/29/96/73/940299673.db2.gz LLEXGZVBBVIKKC-QGZVFWFLSA-N 1 1 353.491 3.611 20 30 FHEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](C[C@H](O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000177710846 940373390 /nfs/dbraw/zinc/37/33/90/940373390.db2.gz KURQHGXBVVWUCX-QHCPKHFHSA-N 1 1 373.456 3.871 20 30 FHEDMO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000548986936 940436987 /nfs/dbraw/zinc/43/69/87/940436987.db2.gz UTAWWTLATSFKAS-KSSFIOAISA-N 1 1 354.885 3.989 20 30 FHEDMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580293914 940472022 /nfs/dbraw/zinc/47/20/22/940472022.db2.gz JXHJPYKYMKLVNK-VQROGVPDSA-N 1 1 373.500 3.689 20 30 FHEDMO Cc1ccc(C)c(OC2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000066437312 940489379 /nfs/dbraw/zinc/48/93/79/940489379.db2.gz IRDSCKYVOXECDW-PGRDOPGGSA-N 1 1 371.525 3.590 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccccn2)C1 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365.502 3.971 20 30 FHEDMO N#CCc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000376279245 940690862 /nfs/dbraw/zinc/69/08/62/940690862.db2.gz CLNRZFFKLNICPQ-YADHBBJMSA-N 1 1 359.473 3.632 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000187793718 940786643 /nfs/dbraw/zinc/78/66/43/940786643.db2.gz QMTWBMPYVZBACF-LJQANCHMSA-N 1 1 366.358 3.766 20 30 FHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1(C)C ZINC000180188745 940787267 /nfs/dbraw/zinc/78/72/67/940787267.db2.gz YIWBNUBLACSHKT-OALUTQOASA-N 1 1 352.482 3.594 20 30 FHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1CCC(C(C)C)CC1 ZINC000330095323 945353992 /nfs/dbraw/zinc/35/39/92/945353992.db2.gz VHDKVKODDBPJGJ-UHFFFAOYSA-N 1 1 357.502 3.990 20 30 FHEDMO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)cc1 ZINC000330103795 945357417 /nfs/dbraw/zinc/35/74/17/945357417.db2.gz GPCVQVQXNRIRCC-MBXLBGHASA-N 1 1 374.525 3.925 20 30 FHEDMO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)cc1 ZINC000330103795 945357429 /nfs/dbraw/zinc/35/74/29/945357429.db2.gz GPCVQVQXNRIRCC-MBXLBGHASA-N 1 1 374.525 3.925 20 30 FHEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330104826 945358926 /nfs/dbraw/zinc/35/89/26/945358926.db2.gz HUCSVQVNASGVOD-RYLXDESZSA-N 1 1 360.498 3.671 20 30 FHEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330104826 945358937 /nfs/dbraw/zinc/35/89/37/945358937.db2.gz HUCSVQVNASGVOD-RYLXDESZSA-N 1 1 360.498 3.671 20 30 FHEDMO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000440252667 945360175 /nfs/dbraw/zinc/36/01/75/945360175.db2.gz FKWRLGYVTIPUJX-SFHVURJKSA-N 1 1 371.525 3.861 20 30 FHEDMO COc1c(C)cc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1C ZINC000507602317 945363891 /nfs/dbraw/zinc/36/38/91/945363891.db2.gz UDBYYVZZGCZYLZ-OAHLLOKOSA-N 1 1 369.465 3.853 20 30 FHEDMO COc1c(C)cc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1C ZINC000507602317 945363902 /nfs/dbraw/zinc/36/39/02/945363902.db2.gz UDBYYVZZGCZYLZ-OAHLLOKOSA-N 1 1 369.465 3.853 20 30 FHEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000066675966 940997684 /nfs/dbraw/zinc/99/76/84/940997684.db2.gz UHVZWNHMMBEMNO-UHFFFAOYSA-N 1 1 361.489 3.737 20 30 FHEDMO Cc1nc2cc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2n1C ZINC000540982275 941042899 /nfs/dbraw/zinc/04/28/99/941042899.db2.gz XHAFOSYPAFSYBV-UHFFFAOYSA-N 1 1 359.477 3.830 20 30 FHEDMO N#Cc1cccc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180549474 941045534 /nfs/dbraw/zinc/04/55/34/941045534.db2.gz PHIHZOJXKPNGGA-MRXNPFEDSA-N 1 1 365.330 3.919 20 30 FHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000186817782 941057857 /nfs/dbraw/zinc/05/78/57/941057857.db2.gz GJWUXXSPJDXIDN-QGZVFWFLSA-N 1 1 353.510 3.607 20 30 FHEDMO O=C(Nc1ccccc1)NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177044677 941095609 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ZINC000472753088 941676641 /nfs/dbraw/zinc/67/66/41/941676641.db2.gz PRBXLMIMYVOSSD-CVEARBPZSA-N 1 1 357.281 3.723 20 30 FHEDMO N#CCOc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000729267947 941705285 /nfs/dbraw/zinc/70/52/85/941705285.db2.gz BCFOEXVKLVJZND-OAQYLSRUSA-N 1 1 354.425 3.909 20 30 FHEDMO CC#CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549243040 941715355 /nfs/dbraw/zinc/71/53/55/941715355.db2.gz SPLWUISRGDMROY-ZCTYVAAUSA-N 1 1 359.901 3.576 20 30 FHEDMO CCC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(=O)N(C)C ZINC000472764352 941715869 /nfs/dbraw/zinc/71/58/69/941715869.db2.gz CDMNFORPERIGDI-UHFFFAOYSA-N 1 1 363.505 3.687 20 30 FHEDMO C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000549248051 941736335 /nfs/dbraw/zinc/73/63/35/941736335.db2.gz JQQKZISQHOEJAZ-UHFFFAOYSA-N 1 1 357.502 3.671 20 30 FHEDMO C=C(C)Cn1c(CC)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000549248185 941736864 /nfs/dbraw/zinc/73/68/64/941736864.db2.gz LAORDFICPWZXHG-SFHVURJKSA-N 1 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ZINC000328672506 941961253 /nfs/dbraw/zinc/96/12/53/941961253.db2.gz IFQPGKYSDUMVJE-KBPBESRZSA-N 1 1 361.511 3.691 20 30 FHEDMO N#C[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@]12c1ccccc1NC2=O ZINC000513589619 942030227 /nfs/dbraw/zinc/03/02/27/942030227.db2.gz YTVIOLJSYRNDLN-WZONZLPQSA-N 1 1 353.425 3.685 20 30 FHEDMO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000472888425 942040656 /nfs/dbraw/zinc/04/06/56/942040656.db2.gz ULCCOBQEWPAZSM-SFTDATJTSA-N 1 1 359.473 3.835 20 30 FHEDMO C[N@@H+](CCNC(=O)N[C@@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000431855300 942093845 /nfs/dbraw/zinc/09/38/45/942093845.db2.gz AREWFIGPNQTAAU-NRFANRHFSA-N 1 1 364.493 3.853 20 30 FHEDMO N#Cc1ccc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cn1 ZINC000377996574 942128711 /nfs/dbraw/zinc/12/87/11/942128711.db2.gz MIYKMDXNMWVDDK-UHFFFAOYSA-N 1 1 359.433 3.685 20 30 FHEDMO N#Cc1c(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cn2ccccc12 ZINC000183188695 942224016 /nfs/dbraw/zinc/22/40/16/942224016.db2.gz BNZMQDUYRIDKPN-UHFFFAOYSA-N 1 1 373.382 3.863 20 30 FHEDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000420923842 942256703 /nfs/dbraw/zinc/25/67/03/942256703.db2.gz IOSRVIMZWLSVIT-IAGOWNOFSA-N 1 1 350.503 3.529 20 30 FHEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000420934508 942262180 /nfs/dbraw/zinc/26/21/80/942262180.db2.gz XOJAGSHWQMAIFI-IBGZPJMESA-N 1 1 357.454 3.795 20 30 FHEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000420934508 942262184 /nfs/dbraw/zinc/26/21/84/942262184.db2.gz XOJAGSHWQMAIFI-IBGZPJMESA-N 1 1 357.454 3.795 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](CC(F)(F)F)C3)o2)c1 ZINC000420956430 942274425 /nfs/dbraw/zinc/27/44/25/942274425.db2.gz YGDZJKAKFJJBDU-CYBMUJFWSA-N 1 1 350.344 3.773 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](CC(F)(F)F)C3)o2)c1 ZINC000420956430 942274426 /nfs/dbraw/zinc/27/44/26/942274426.db2.gz YGDZJKAKFJJBDU-CYBMUJFWSA-N 1 1 350.344 3.773 20 30 FHEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)ccc1OC ZINC000414488137 942298211 /nfs/dbraw/zinc/29/82/11/942298211.db2.gz QLQWFNDIRWFVIZ-WOJBJXKFSA-N 1 1 353.462 3.958 20 30 FHEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421044290 942314638 /nfs/dbraw/zinc/31/46/38/942314638.db2.gz SLHSEGVSEOEOSA-QGZVFWFLSA-N 1 1 351.288 3.776 20 30 FHEDMO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1Br ZINC000481090411 942323993 /nfs/dbraw/zinc/32/39/93/942323993.db2.gz JBVIZAVIBKDORY-UHFFFAOYSA-N 1 1 367.287 3.874 20 30 FHEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1Br ZINC000481090411 942323997 /nfs/dbraw/zinc/32/39/97/942323997.db2.gz JBVIZAVIBKDORY-UHFFFAOYSA-N 1 1 367.287 3.874 20 30 FHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000416102298 942348270 /nfs/dbraw/zinc/34/82/70/942348270.db2.gz ODLCSKHROOXZCT-FCHUYYIVSA-N 1 1 359.473 3.716 20 30 FHEDMO C[N@H+](Cc1ccc(C#N)cc1Br)[C@@H](CCO)c1ccccc1 ZINC000481123224 942368338 /nfs/dbraw/zinc/36/83/38/942368338.db2.gz XCUBTNTZVKONJG-SFHVURJKSA-N 1 1 359.267 3.876 20 30 FHEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@@H](CCO)c1ccccc1 ZINC000481123224 942368341 /nfs/dbraw/zinc/36/83/41/942368341.db2.gz XCUBTNTZVKONJG-SFHVURJKSA-N 1 1 359.267 3.876 20 30 FHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000366842642 942434209 /nfs/dbraw/zinc/43/42/09/942434209.db2.gz MZGDZQMLOSSTPK-GOSISDBHSA-N 1 1 353.491 3.746 20 30 FHEDMO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528627 942503147 /nfs/dbraw/zinc/50/31/47/942503147.db2.gz LOSWEBXRGFYTGV-SFHVURJKSA-N 1 1 359.473 3.661 20 30 FHEDMO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528627 942503152 /nfs/dbraw/zinc/50/31/52/942503152.db2.gz LOSWEBXRGFYTGV-SFHVURJKSA-N 1 1 359.473 3.661 20 30 FHEDMO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000502516803 942509683 /nfs/dbraw/zinc/50/96/83/942509683.db2.gz OLEXBAZBAIKRPN-CBGDNZLLSA-N 1 1 351.494 3.588 20 30 FHEDMO C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000502516803 942509686 /nfs/dbraw/zinc/50/96/86/942509686.db2.gz OLEXBAZBAIKRPN-CBGDNZLLSA-N 1 1 351.494 3.588 20 30 FHEDMO N#Cc1ccc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1F ZINC000421376691 942526552 /nfs/dbraw/zinc/52/65/52/942526552.db2.gz FHKQTCYSRIHSFN-UHFFFAOYSA-N 1 1 355.379 3.592 20 30 FHEDMO C=C(C)COc1cc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)ccc1OC ZINC000421406197 942556450 /nfs/dbraw/zinc/55/64/50/942556450.db2.gz SSLPCDPSCZRIQM-UHFFFAOYSA-N 1 1 358.486 3.847 20 30 FHEDMO Cc1n[nH]cc1C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000366942654 942560364 /nfs/dbraw/zinc/56/03/64/942560364.db2.gz GADMLSMCOBFVFT-UHFFFAOYSA-N 1 1 359.271 3.732 20 30 FHEDMO COc1cc(C[N@H+]2CCOC[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000513978249 942639088 /nfs/dbraw/zinc/63/90/88/942639088.db2.gz IEAFDQFAHZBDTL-KRWDZBQOSA-N 1 1 366.461 3.614 20 30 FHEDMO C=CCCO[C@H](C)C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000501764227 942666233 /nfs/dbraw/zinc/66/62/33/942666233.db2.gz TXMLGPGXMJPNQE-YLJYHZDGSA-N 1 1 358.526 3.557 20 30 FHEDMO C=CCOc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000505422942 942689507 /nfs/dbraw/zinc/68/95/07/942689507.db2.gz SBBHNNIRRAQGEK-UHFFFAOYSA-N 1 1 368.477 3.591 20 30 FHEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(F)cc(F)c1OC)C2 ZINC001143559939 942751540 /nfs/dbraw/zinc/75/15/40/942751540.db2.gz BLVJTNWGWFIIII-QUCCMNQESA-N 1 1 367.436 3.547 20 30 FHEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000434619108 942806278 /nfs/dbraw/zinc/80/62/78/942806278.db2.gz CBSAHFVSYDDHNN-NRFANRHFSA-N 1 1 353.441 3.643 20 30 FHEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccs1 ZINC000378477329 942812755 /nfs/dbraw/zinc/81/27/55/942812755.db2.gz XLOPZIAKQRXHRM-QFBILLFUSA-N 1 1 365.502 3.726 20 30 FHEDMO CCCCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC001269831569 942839330 /nfs/dbraw/zinc/83/93/30/942839330.db2.gz DGWKYOGWKUFEJJ-UHFFFAOYSA-N 1 1 360.546 3.975 20 30 FHEDMO CCc1ccc([C@H]2CN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC[NH2+]2)cc1 ZINC000505491733 942906383 /nfs/dbraw/zinc/90/63/83/942906383.db2.gz RLXLWLMCBBOTMA-OAQYLSRUSA-N 1 1 361.489 3.837 20 30 FHEDMO COCC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)c1ccco1 ZINC000273235468 942914148 /nfs/dbraw/zinc/91/41/48/942914148.db2.gz GNMCYJAHOKDQNE-LJQANCHMSA-N 1 1 369.465 3.511 20 30 FHEDMO C=CCn1c(SCC[N@H+](C)Cc2ccccc2)nc2ccccc2c1=O ZINC000430120844 942917905 /nfs/dbraw/zinc/91/79/05/942917905.db2.gz KRZFLHQWOOPVFB-UHFFFAOYSA-N 1 1 365.502 3.807 20 30 FHEDMO COc1ccc(CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1OCCCC#N ZINC000430120696 942927878 /nfs/dbraw/zinc/92/78/78/942927878.db2.gz FRVNRGWAYZOLPA-WSTZPKSXSA-N 1 1 371.525 3.540 20 30 FHEDMO Cc1cc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(C#N)cn1 ZINC000425205656 942982058 /nfs/dbraw/zinc/98/20/58/942982058.db2.gz ILZRERKXVOWYKH-UHFFFAOYSA-N 1 1 374.410 3.993 20 30 FHEDMO C[C@@H]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000434848285 943004451 /nfs/dbraw/zinc/00/44/51/943004451.db2.gz JDQPXRQQNWMQAI-LJQANCHMSA-N 1 1 373.500 3.713 20 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ZINC000505570563 943048762 /nfs/dbraw/zinc/04/87/62/943048762.db2.gz MEZRHESEUFWAOH-MRXNPFEDSA-N 1 1 363.461 3.806 20 30 FHEDMO C[N@@H+](CCCNC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000514508470 943070790 /nfs/dbraw/zinc/07/07/90/943070790.db2.gz LUZSGTVZOUUNCO-UHFFFAOYSA-N 1 1 356.857 3.855 20 30 FHEDMO C[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000272514021 943169449 /nfs/dbraw/zinc/16/94/49/943169449.db2.gz GPJPCMVGRRURMD-LBPRGKRZSA-N 1 1 354.281 3.796 20 30 FHEDMO C=C(C)[C@H](CC(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@H+]1CC)OCC ZINC000503497308 943220072 /nfs/dbraw/zinc/22/00/72/943220072.db2.gz PXXJUCLRXXHAOE-CTNGQTDRSA-N 1 1 374.525 3.576 20 30 FHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000514693882 943226446 /nfs/dbraw/zinc/22/64/46/943226446.db2.gz RXOWHINCJJTEAD-UHFFFAOYSA-N 1 1 364.424 3.736 20 30 FHEDMO C#CCOc1ccccc1CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000236688171 943234043 /nfs/dbraw/zinc/23/40/43/943234043.db2.gz BWXNLBTWTZQCAT-SFHVURJKSA-N 1 1 354.519 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C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000425396067 943524057 /nfs/dbraw/zinc/52/40/57/943524057.db2.gz JKATZZHKDXHDOS-KRWDZBQOSA-N 1 1 356.514 3.915 20 30 FHEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(C#N)c2)C1 ZINC000435644513 943525557 /nfs/dbraw/zinc/52/55/57/943525557.db2.gz IEEDKIKPQSDMHS-UHFFFAOYSA-N 1 1 372.472 3.918 20 30 FHEDMO CC(C)[N@H+](C)CC1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000584756221 943537367 /nfs/dbraw/zinc/53/73/67/943537367.db2.gz FMUHKLRGBXQTOI-UHFFFAOYSA-N 1 1 364.331 3.873 20 30 FHEDMO CC(C)[N@@H+](C)CC1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000584756221 943537370 /nfs/dbraw/zinc/53/73/70/943537370.db2.gz FMUHKLRGBXQTOI-UHFFFAOYSA-N 1 1 364.331 3.873 20 30 FHEDMO C=CCC(F)(F)C(=O)N1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001270000450 943548212 /nfs/dbraw/zinc/54/82/12/943548212.db2.gz DCRJMSHKHFUZFP-HNNXBMFYSA-N 1 1 368.390 3.855 20 30 FHEDMO Cc1[nH+]c2c(n1CC(=O)N(CCC#N)c1cc(C)cc(C)c1)CCCC2 ZINC000515200577 943562964 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C=C[C@](C)(CCOC)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000437567412 943925503 /nfs/dbraw/zinc/92/55/03/943925503.db2.gz LAXVSRWDKSDNLQ-HXUWFJFHSA-N 1 1 364.917 3.603 20 30 FHEDMO C=C[C@](C)(CCOC)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000437567412 943925510 /nfs/dbraw/zinc/92/55/10/943925510.db2.gz LAXVSRWDKSDNLQ-HXUWFJFHSA-N 1 1 364.917 3.603 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437573146 943929121 /nfs/dbraw/zinc/92/91/21/943929121.db2.gz ZCIIUEGBZCRIJL-RDJZCZTQSA-N 1 1 354.416 3.741 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000515518501 943950281 /nfs/dbraw/zinc/95/02/81/943950281.db2.gz JMIJYBIPCVECBK-PMACEKPBSA-N 1 1 369.553 3.740 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000515518501 943950284 /nfs/dbraw/zinc/95/02/84/943950284.db2.gz JMIJYBIPCVECBK-PMACEKPBSA-N 1 1 369.553 3.740 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000515518501 943950294 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3.574 20 30 FHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000424744420 944085258 /nfs/dbraw/zinc/08/52/58/944085258.db2.gz IWXJOUVBVAGPKA-QZTJIDSGSA-N 1 1 362.901 3.574 20 30 FHEDMO N#C[C@]1(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)CC12CCCC2 ZINC000517216249 944112317 /nfs/dbraw/zinc/11/23/17/944112317.db2.gz NVFCVTMPLLZDAB-IBGZPJMESA-N 1 1 358.511 3.932 20 30 FHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3Cc3cc(F)ccc3F)n2c1 ZINC000418103749 944160812 /nfs/dbraw/zinc/16/08/12/944160812.db2.gz WHOJKACQKHVFPW-KRWDZBQOSA-N 1 1 352.388 3.691 20 30 FHEDMO C=CCc1cc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc(OC)c1O ZINC000506152344 944183623 /nfs/dbraw/zinc/18/36/23/944183623.db2.gz DOWADAWGJLBUMN-UHFFFAOYSA-N 1 1 363.461 3.947 20 30 FHEDMO C=CCc1cc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)cc(OC)c1O ZINC000506152344 944183626 /nfs/dbraw/zinc/18/36/26/944183626.db2.gz DOWADAWGJLBUMN-UHFFFAOYSA-N 1 1 363.461 3.947 20 30 FHEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500156747 944186901 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C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000425533092 944262132 /nfs/dbraw/zinc/26/21/32/944262132.db2.gz KFSPSHQZVQPQCB-WMZHIEFXSA-N 1 1 363.505 3.842 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000425533092 944262142 /nfs/dbraw/zinc/26/21/42/944262142.db2.gz KFSPSHQZVQPQCB-WMZHIEFXSA-N 1 1 363.505 3.842 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000425533092 944262150 /nfs/dbraw/zinc/26/21/50/944262150.db2.gz KFSPSHQZVQPQCB-WMZHIEFXSA-N 1 1 363.505 3.842 20 30 FHEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000439015202 944269720 /nfs/dbraw/zinc/26/97/20/944269720.db2.gz OFRIKVSFKJDCTR-LJQANCHMSA-N 1 1 360.379 3.743 20 30 FHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000439015202 944269723 /nfs/dbraw/zinc/26/97/23/944269723.db2.gz OFRIKVSFKJDCTR-LJQANCHMSA-N 1 1 360.379 3.743 20 30 FHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc(F)cc(F)c1OC)CC2 ZINC001143561232 944276636 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374.403 3.566 20 30 FHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000181297050 934642339 /nfs/dbraw/zinc/64/23/39/934642339.db2.gz CHOBMYORAPEPKD-CYBMUJFWSA-N 1 1 374.403 3.566 20 30 FHEDMO C=C(C)[C@@H](CC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)OCC ZINC000535914620 934785275 /nfs/dbraw/zinc/78/52/75/934785275.db2.gz MIKMUVLUEPLNAU-FXAWDEMLSA-N 1 1 360.498 3.717 20 30 FHEDMO C[C@H](Nc1cc(C#N)c2ccccc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380467979 934803708 /nfs/dbraw/zinc/80/37/08/934803708.db2.gz QLFSHINAMRQCPC-PKOBYXMFSA-N 1 1 356.473 3.851 20 30 FHEDMO CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000135457219 934806542 /nfs/dbraw/zinc/80/65/42/934806542.db2.gz UIZBPYFFPAEOOU-KRWDZBQOSA-N 1 1 374.554 3.858 20 30 FHEDMO CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000135457219 934806547 /nfs/dbraw/zinc/80/65/47/934806547.db2.gz UIZBPYFFPAEOOU-KRWDZBQOSA-N 1 1 374.554 3.858 20 30 FHEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000277260387 934848461 /nfs/dbraw/zinc/84/84/61/934848461.db2.gz OUWSOBKWEADFGN-JKSUJKDBSA-N 1 1 366.513 3.505 20 30 FHEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000277260381 934848680 /nfs/dbraw/zinc/84/86/80/934848680.db2.gz OUWSOBKWEADFGN-HOTGVXAUSA-N 1 1 366.513 3.505 20 30 FHEDMO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000450333887 934896266 /nfs/dbraw/zinc/89/62/66/934896266.db2.gz YMKZMJUDCDBINY-QFIPXVFZSA-N 1 1 363.505 3.971 20 30 FHEDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cncs1 ZINC000934196986 934983930 /nfs/dbraw/zinc/98/39/30/934983930.db2.gz HIYHXUOYEIPNIS-QWHCGFSZSA-N 1 1 360.508 3.684 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3cccc(F)c3C#N)cc2)C[C@H](C)O1 ZINC000071952648 935062205 /nfs/dbraw/zinc/06/22/05/935062205.db2.gz RKKUUUAGLWDUOB-IYBDPMFKSA-N 1 1 353.441 3.919 20 30 FHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2coc(-c3cccs3)n2)CC1 ZINC000071952225 935075343 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FHEDMO COc1ccc([C@@H]2CCC[N@H+]2CC[C@](C#N)(C(C)=O)c2ccccc2)nc1 ZINC000934341225 935384459 /nfs/dbraw/zinc/38/44/59/935384459.db2.gz IZWCBAIIIOWLGV-VXKWHMMOSA-N 1 1 363.461 3.668 20 30 FHEDMO C=CCCN(C)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000467107891 935584249 /nfs/dbraw/zinc/58/42/49/935584249.db2.gz WCUHFHJMZWSDDN-UHFFFAOYSA-N 1 1 368.481 3.524 20 30 FHEDMO COc1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1OCCCC#N ZINC000611609628 935735197 /nfs/dbraw/zinc/73/51/97/935735197.db2.gz VLDNAAGSSVADJE-HNNXBMFYSA-N 1 1 354.397 3.581 20 30 FHEDMO CC(C)Sc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000511160078 935823418 /nfs/dbraw/zinc/82/34/18/935823418.db2.gz IJZFCTIYGRSWHH-UHFFFAOYSA-N 1 1 352.507 3.776 20 30 FHEDMO CCc1[nH+]ccn1CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000158567954 935839551 /nfs/dbraw/zinc/83/95/51/935839551.db2.gz UCVDBKUFGDIBND-UHFFFAOYSA-N 1 1 373.460 3.625 20 30 FHEDMO C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023904212 935841165 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3.873 20 30 FHEDMO CC(C)COC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000054324913 935957794 /nfs/dbraw/zinc/95/77/94/935957794.db2.gz AWXFAVXNTGJXOR-AWEZNQCLSA-N 1 1 363.889 3.676 20 30 FHEDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000075926164 936017500 /nfs/dbraw/zinc/01/75/00/936017500.db2.gz YQXMFHMUSPSNRX-KRWDZBQOSA-N 1 1 367.415 3.571 20 30 FHEDMO N#CCC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000438854212 945142180 /nfs/dbraw/zinc/14/21/80/945142180.db2.gz RDCWPLBBELDEJS-NHCUHLMSSA-N 1 1 362.477 3.605 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000582757571 936082491 /nfs/dbraw/zinc/08/24/91/936082491.db2.gz IFOKCDUURVBZSI-INIZCTEOSA-N 1 1 356.470 3.947 20 30 FHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187767463 936084913 /nfs/dbraw/zinc/08/49/13/936084913.db2.gz CLSXQTOWMGGBQE-SFHVURJKSA-N 1 1 361.348 3.719 20 30 FHEDMO COc1cc(OC)c(OC)cc1C[N@H+](Cc1ccc(C#N)cn1)C(C)(C)C ZINC000582793640 936131399 /nfs/dbraw/zinc/13/13/99/936131399.db2.gz KEHUMXAVGAMJFQ-UHFFFAOYSA-N 1 1 369.465 3.780 20 30 FHEDMO COc1cc(OC)c(OC)cc1C[N@@H+](Cc1ccc(C#N)cn1)C(C)(C)C ZINC000582793640 936131400 /nfs/dbraw/zinc/13/14/00/936131400.db2.gz KEHUMXAVGAMJFQ-UHFFFAOYSA-N 1 1 369.465 3.780 20 30 FHEDMO C=CCOCCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000657658290 936177109 /nfs/dbraw/zinc/17/71/09/936177109.db2.gz REPOJUQLEYGIME-UHFFFAOYSA-N 1 1 359.495 3.818 20 30 FHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NCc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000187770653 936228370 /nfs/dbraw/zinc/22/83/70/936228370.db2.gz APULQLFMXDLLIJ-VLIAUNLRSA-N 1 1 374.431 3.885 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000458527924 938252676 /nfs/dbraw/zinc/25/26/76/938252676.db2.gz SUWAHUVXFNQYQQ-ZVZYQTTQSA-N 1 1 351.454 3.623 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000245954794 938326925 /nfs/dbraw/zinc/32/69/25/938326925.db2.gz BRIDJAAYTAMLKV-LRDDRELGSA-N 1 1 368.403 3.771 20 30 FHEDMO CC(C)(C)Cc1nc2cc(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)ccc2o1 ZINC000329305324 938337548 /nfs/dbraw/zinc/33/75/48/938337548.db2.gz ASHNZFBNTNFAST-OAHLLOKOSA-N 1 1 356.470 3.742 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246465928 938366016 /nfs/dbraw/zinc/36/60/16/938366016.db2.gz OGPKRHWJBQAEGO-ZWKOTPCHSA-N 1 1 357.450 3.941 20 30 FHEDMO COc1ccc(Cl)c(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000588581572 938382182 /nfs/dbraw/zinc/38/21/82/938382182.db2.gz VTKHCQSHVOZWID-UHFFFAOYSA-N 1 1 360.841 3.736 20 30 FHEDMO C=C(C)COc1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)ccc1OC ZINC000657794338 938417765 /nfs/dbraw/zinc/41/77/65/938417765.db2.gz XUYSICNYYBZRLD-SFHVURJKSA-N 1 1 363.404 3.752 20 30 FHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247252329 938452615 /nfs/dbraw/zinc/45/26/15/938452615.db2.gz WFGMKACGORUZGX-HOTGVXAUSA-N 1 1 358.511 3.640 20 30 FHEDMO Cc1ccccc1C1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 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N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)c2)c1 ZINC000377727556 941945820 /nfs/dbraw/zinc/94/58/20/941945820.db2.gz RUJJMQQESCRFGO-FQEVSTJZSA-N 1 1 372.428 3.850 20 30 FHEDMO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000377761740 941973864 /nfs/dbraw/zinc/97/38/64/941973864.db2.gz NGZKPXRJSLGOCA-FYYLOGMGSA-N 1 1 362.521 3.819 20 30 FHEDMO C=C(C)[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(F)c(F)c1 ZINC000433910403 941980102 /nfs/dbraw/zinc/98/01/02/941980102.db2.gz FLBINSRRSNCRJE-QFBILLFUSA-N 1 1 363.452 3.898 20 30 FHEDMO C[C@@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000513690732 942150683 /nfs/dbraw/zinc/15/06/83/942150683.db2.gz LLNLAPPIBAHGOQ-MRXNPFEDSA-N 1 1 367.880 3.948 20 30 FHEDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1-n1cccn1 ZINC000183140457 942168805 /nfs/dbraw/zinc/16/88/05/942168805.db2.gz UPMGCZXFHIWBCJ-OAHLLOKOSA-N 1 1 370.416 3.645 20 30 FHEDMO CC[N@H+](CCOc1ccccc1C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000420975447 942287176 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WPQDZLPFRWOMMJ-WWMYMODYSA-N 1 1 351.494 3.731 20 30 FHEDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cccc(F)c3C#N)sc2C1 ZINC000425042436 942515907 /nfs/dbraw/zinc/51/59/07/942515907.db2.gz PRXSOBRSJCCWIQ-UHFFFAOYSA-N 1 1 358.442 3.563 20 30 FHEDMO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502554540 942535987 /nfs/dbraw/zinc/53/59/87/942535987.db2.gz QROSRLVCUVKHCS-LAUBAEHRSA-N 1 1 351.494 3.827 20 30 FHEDMO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502554540 942535991 /nfs/dbraw/zinc/53/59/91/942535991.db2.gz QROSRLVCUVKHCS-LAUBAEHRSA-N 1 1 351.494 3.827 20 30 FHEDMO COC(=O)c1ccc(Br)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000513970245 942634928 /nfs/dbraw/zinc/63/49/28/942634928.db2.gz MQAYDKOJFCTCQB-UHFFFAOYSA-N 1 1 373.250 3.739 20 30 FHEDMO COC(=O)c1ccc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000513970245 942634930 /nfs/dbraw/zinc/63/49/30/942634930.db2.gz MQAYDKOJFCTCQB-UHFFFAOYSA-N 1 1 373.250 3.739 20 30 FHEDMO C=C(C)[C@H](CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)OCC ZINC000425076771 942642017 /nfs/dbraw/zinc/64/20/17/942642017.db2.gz GOHSATNDENIFIS-AWEZNQCLSA-N 1 1 351.516 3.610 20 30 FHEDMO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000513962535 942644177 /nfs/dbraw/zinc/64/41/77/942644177.db2.gz ZKPPNLYONNFDAP-FOIQADDNSA-N 1 1 374.431 3.523 20 30 FHEDMO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000513962535 942644178 /nfs/dbraw/zinc/64/41/78/942644178.db2.gz ZKPPNLYONNFDAP-FOIQADDNSA-N 1 1 374.431 3.523 20 30 FHEDMO CC[N@H+](Cc1ccncc1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000502731295 942700524 /nfs/dbraw/zinc/70/05/24/942700524.db2.gz BSCBLCXTPRVPAG-IBGZPJMESA-N 1 1 364.493 3.856 20 30 FHEDMO CC[N@@H+](Cc1ccncc1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000502731295 942700525 /nfs/dbraw/zinc/70/05/25/942700525.db2.gz BSCBLCXTPRVPAG-IBGZPJMESA-N 1 1 364.493 3.856 20 30 FHEDMO C#CCCCCC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000378407395 942724431 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/nfs/dbraw/zinc/87/17/03/942871703.db2.gz ALXZHAAKTOMURA-OAHLLOKOSA-N 1 1 372.435 3.766 20 30 FHEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@H+]1CCCC(C)(C)C#N ZINC000378539475 942871709 /nfs/dbraw/zinc/87/17/09/942871709.db2.gz ALXZHAAKTOMURA-OAHLLOKOSA-N 1 1 372.435 3.766 20 30 FHEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC000434725859 942896928 /nfs/dbraw/zinc/89/69/28/942896928.db2.gz JRSNKWARTJYVIU-INIZCTEOSA-N 1 1 351.450 3.979 20 30 FHEDMO Cc1oc(NC(=O)C[N@H+](CCc2ccccc2)CC(C)C)c(C#N)c1C ZINC000434732217 942900554 /nfs/dbraw/zinc/90/05/54/942900554.db2.gz KWILLHRLQVAWSG-UHFFFAOYSA-N 1 1 353.466 3.907 20 30 FHEDMO Cc1ccc(CC2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)cc1C ZINC000330212938 942950914 /nfs/dbraw/zinc/95/09/14/942950914.db2.gz KOJXGTRPTIDXPA-HXUWFJFHSA-N 1 1 366.509 3.683 20 30 FHEDMO C=CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(C#N)c1 ZINC000434825378 942981613 /nfs/dbraw/zinc/98/16/13/942981613.db2.gz IERDZAINVJLFIL-UHFFFAOYSA-N 1 1 355.388 3.853 20 30 FHEDMO CC[C@H]1CCCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505558103 943026533 /nfs/dbraw/zinc/02/65/33/943026533.db2.gz OZRJAUOGLKZXLG-LEWJYISDSA-N 1 1 368.525 3.744 20 30 FHEDMO C=CCOc1ccc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000434980834 943074375 /nfs/dbraw/zinc/07/43/75/943074375.db2.gz BUPWEZAHETWQAC-HXUWFJFHSA-N 1 1 352.478 3.749 20 30 FHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)C1(CC)CC ZINC000434984705 943086042 /nfs/dbraw/zinc/08/60/42/943086042.db2.gz BRTXDGWFCDKKBK-CVEARBPZSA-N 1 1 363.527 3.864 20 30 FHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2(C#N)CCC2)c1 ZINC000416771324 943096169 /nfs/dbraw/zinc/09/61/69/943096169.db2.gz IZVCYQFBWIHLSM-UHFFFAOYSA-N 1 1 351.454 3.870 20 30 FHEDMO C[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272222069 943116676 /nfs/dbraw/zinc/11/66/76/943116676.db2.gz CFCLKMOOUVIBFP-PXNSSMCTSA-N 1 1 362.477 3.785 20 30 FHEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)C1=O ZINC000435049779 943122836 /nfs/dbraw/zinc/12/28/36/943122836.db2.gz PIUBTDBJEWVZRR-MJGOQNOKSA-N 1 1 365.502 3.680 20 30 FHEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)C1=O ZINC000435049779 943122842 /nfs/dbraw/zinc/12/28/42/943122842.db2.gz PIUBTDBJEWVZRR-MJGOQNOKSA-N 1 1 365.502 3.680 20 30 FHEDMO C=CCOc1ccc(C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1OC ZINC000505616585 943196074 /nfs/dbraw/zinc/19/60/74/943196074.db2.gz WLNAMONYYBBBGX-UHFFFAOYSA-N 1 1 368.477 3.591 20 30 FHEDMO C[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000503869125 943392051 /nfs/dbraw/zinc/39/20/51/943392051.db2.gz DPNPMWLYBWWXRF-GOSISDBHSA-N 1 1 371.484 3.621 20 30 FHEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000566438289 943418159 /nfs/dbraw/zinc/41/81/59/943418159.db2.gz ZBXLZEWBXQZZDF-INIZCTEOSA-N 1 1 363.461 3.726 20 30 FHEDMO CCc1cc(OC)ccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000503941501 943427088 /nfs/dbraw/zinc/42/70/88/943427088.db2.gz JLDYTBMXUDWYDH-UHFFFAOYSA-N 1 1 363.505 3.837 20 30 FHEDMO CCc1cc(OC)ccc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000503941501 943427091 /nfs/dbraw/zinc/42/70/91/943427091.db2.gz JLDYTBMXUDWYDH-UHFFFAOYSA-N 1 1 363.505 3.837 20 30 FHEDMO CCc1cc(OC)ccc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000503941501 943427096 /nfs/dbraw/zinc/42/70/96/943427096.db2.gz JLDYTBMXUDWYDH-UHFFFAOYSA-N 1 1 363.505 3.837 20 30 FHEDMO Cn1c(C[N@H+](C)CCOCc2ccc(C#N)cc2)nc2ccc(Cl)cc21 ZINC000584746741 943533394 /nfs/dbraw/zinc/53/33/94/943533394.db2.gz LFPFVPDEWMNBKP-UHFFFAOYSA-N 1 1 368.868 3.747 20 30 FHEDMO Cn1c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)nc2ccc(Cl)cc21 ZINC000584746741 943533400 /nfs/dbraw/zinc/53/34/00/943533400.db2.gz LFPFVPDEWMNBKP-UHFFFAOYSA-N 1 1 368.868 3.747 20 30 FHEDMO CC(C)Oc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1C#N ZINC000435683372 943544494 /nfs/dbraw/zinc/54/44/94/943544494.db2.gz PEKYLJWNEUKZBV-MRXNPFEDSA-N 1 1 355.482 3.939 20 30 FHEDMO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504339691 943591831 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Cc1nc(C(F)(F)F)c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000584862047 943817347 /nfs/dbraw/zinc/81/73/47/943817347.db2.gz ZGSSNNUPMNTCKT-UHFFFAOYSA-N 1 1 369.412 3.991 20 30 FHEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(SCC(F)(F)F)cc2)nn1 ZINC000424297542 943824952 /nfs/dbraw/zinc/82/49/52/943824952.db2.gz QWRQRTAGDBNNRV-GFCCVEGCSA-N 1 1 356.417 3.969 20 30 FHEDMO C=CCOc1ccc(CN2CC[NH+](Cc3cccs3)CC2)cc1OC ZINC000506055944 943850219 /nfs/dbraw/zinc/85/02/19/943850219.db2.gz PMTKBBVXXZYDTL-UHFFFAOYSA-N 1 1 358.507 3.639 20 30 FHEDMO C=CCc1cc(C[N@H+](C)CCOc2ccc(OC)cc2)cc(OC)c1O ZINC000506063102 943903475 /nfs/dbraw/zinc/90/34/75/943903475.db2.gz CISMURQMPYRBMX-UHFFFAOYSA-N 1 1 357.450 3.649 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437573144 943929084 /nfs/dbraw/zinc/92/90/84/943929084.db2.gz ZCIIUEGBZCRIJL-DOTOQJQBSA-N 1 1 354.416 3.741 20 30 FHEDMO C=CCN1CC[C@@H]([N@@H+](C)CC/C=C/c2ccc(Br)cc2)C1=O ZINC000500008130 943944554 /nfs/dbraw/zinc/94/45/54/943944554.db2.gz INNOOPQANLKXFM-UKINESCASA-N 1 1 363.299 3.571 20 30 FHEDMO CCCCCCCCCC(=O)N1C[C@@H]2C[N@@H+](C3CCCC3)C[C@H](C1)O2 ZINC001270238358 943949699 /nfs/dbraw/zinc/94/96/99/943949699.db2.gz SAHXGRJJTBBUKO-BGYRXZFFSA-N 1 1 350.547 3.981 20 30 FHEDMO N#Cc1csc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 ZINC000566532498 943970488 /nfs/dbraw/zinc/97/04/88/943970488.db2.gz TXACIJZCPWHGQS-UHFFFAOYSA-N 1 1 367.396 3.829 20 30 FHEDMO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000437615809 943972368 /nfs/dbraw/zinc/97/23/68/943972368.db2.gz JOMGUPMIRVOODL-GCJKJVERSA-N 1 1 358.526 3.906 20 30 FHEDMO CC[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000436101850 944016869 /nfs/dbraw/zinc/01/68/69/944016869.db2.gz MLPQFJZBMLJSJO-QFIPXVFZSA-N 1 1 373.500 3.543 20 30 FHEDMO C=CCC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(C(F)(F)F)cc1 ZINC000436115981 944031424 /nfs/dbraw/zinc/03/14/24/944031424.db2.gz RVBHAHBBRPWLHV-OAHLLOKOSA-N 1 1 366.387 3.624 20 30 FHEDMO CCN(C(=O)c1cc(C#N)oc1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000436134306 944046566 /nfs/dbraw/zinc/04/65/66/944046566.db2.gz DDZVSPWNILUSDP-YJBOKZPZSA-N 1 1 351.450 3.757 20 30 FHEDMO CC(C)CCN(CCC#N)C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000505159655 944086958 /nfs/dbraw/zinc/08/69/58/944086958.db2.gz ITZQRAYXWBRMSQ-OALUTQOASA-N 1 1 371.525 3.698 20 30 FHEDMO CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000517199546 944096478 /nfs/dbraw/zinc/09/64/78/944096478.db2.gz ZEBACPSZQRVURP-QFBILLFUSA-N 1 1 363.452 3.588 20 30 FHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000517205637 944104479 /nfs/dbraw/zinc/10/44/79/944104479.db2.gz YCVJTTWRXUAKOR-JOCHJYFZSA-N 1 1 361.489 3.983 20 30 FHEDMO C=CCC1(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424766889 944106083 /nfs/dbraw/zinc/10/60/83/944106083.db2.gz KLKAOHGTZWWTQY-TZIWHRDSSA-N 1 1 370.537 3.776 20 30 FHEDMO C=CCNC(=O)[C@H](C)[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500120424 944136577 /nfs/dbraw/zinc/13/65/77/944136577.db2.gz BKFJBBRDWYBTMY-ZDUSSCGKSA-N 1 1 374.378 3.537 20 30 FHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3Cc3cc(F)ccc3F)n2c1 ZINC000418103756 944161248 /nfs/dbraw/zinc/16/12/48/944161248.db2.gz WHOJKACQKHVFPW-QGZVFWFLSA-N 1 1 352.388 3.691 20 30 FHEDMO C[C@H](C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000436326058 944204689 /nfs/dbraw/zinc/20/46/89/944204689.db2.gz PIOIIOONCPFRIV-SXSPYAJSSA-N 1 1 373.500 3.732 20 30 FHEDMO C[C@H](C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000436326058 944204695 /nfs/dbraw/zinc/20/46/95/944204695.db2.gz PIOIIOONCPFRIV-SXSPYAJSSA-N 1 1 373.500 3.732 20 30 FHEDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000425513190 944207322 /nfs/dbraw/zinc/20/73/22/944207322.db2.gz OLYMDMMSRIONLU-UHFFFAOYSA-N 1 1 363.889 3.516 20 30 FHEDMO CCC[N@@H+](C)CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000517343077 944221282 /nfs/dbraw/zinc/22/12/82/944221282.db2.gz BWKBQRMZMATYTK-UHFFFAOYSA-N 1 1 353.441 3.568 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000425532270 944259454 /nfs/dbraw/zinc/25/94/54/944259454.db2.gz IZBCGECHSIOSKM-CYBMUJFWSA-N 1 1 359.376 3.791 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000425532270 944259459 /nfs/dbraw/zinc/25/94/59/944259459.db2.gz IZBCGECHSIOSKM-CYBMUJFWSA-N 1 1 359.376 3.791 20 30 FHEDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538964 944270979 /nfs/dbraw/zinc/27/09/79/944270979.db2.gz SYRUTJGNMYGBRL-HNNXBMFYSA-N 1 1 366.421 3.797 20 30 FHEDMO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425536862 944281548 /nfs/dbraw/zinc/28/15/48/944281548.db2.gz PLFGOUAYUXSAHN-KRWDZBQOSA-N 1 1 356.491 3.724 20 30 FHEDMO Cc1cccc(S(=O)(=O)CCC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425536862 944281557 /nfs/dbraw/zinc/28/15/57/944281557.db2.gz PLFGOUAYUXSAHN-KRWDZBQOSA-N 1 1 356.491 3.724 20 30 FHEDMO CC1(C)C[C@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000425549668 944301549 /nfs/dbraw/zinc/30/15/49/944301549.db2.gz YIAZBNVUKOIRGQ-HXUWFJFHSA-N 1 1 368.502 3.805 20 30 FHEDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000425549668 944301553 /nfs/dbraw/zinc/30/15/53/944301553.db2.gz YIAZBNVUKOIRGQ-HXUWFJFHSA-N 1 1 368.502 3.805 20 30 FHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000440461870 944314026 /nfs/dbraw/zinc/31/40/26/944314026.db2.gz VJUWXWKTWWGSJG-UHFFFAOYSA-N 1 1 366.892 3.928 20 30 FHEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000518385907 944322065 /nfs/dbraw/zinc/32/20/65/944322065.db2.gz GHPVOUXGPFVESZ-UHFFFAOYSA-N 1 1 371.525 3.686 20 30 FHEDMO Cn1nc(CCC[N@@H+](C)Cc2ccc(C#N)cn2)cc1-c1ccc(F)cc1 ZINC000518394326 944347940 /nfs/dbraw/zinc/34/79/40/944347940.db2.gz RLLWUFVALZQNNM-UHFFFAOYSA-N 1 1 363.440 3.557 20 30 FHEDMO CC(C)[N@@H+](C)CCCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000517540973 944371431 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C=CCCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000661014353 945660743 /nfs/dbraw/zinc/66/07/43/945660743.db2.gz XXERYBRSOMWEQB-UHFFFAOYSA-N 1 1 356.297 3.833 20 30 FHEDMO C[N@@H+](CCNC(=O)c1cn(CCCC#N)c2ccccc12)C1CCCCC1 ZINC000444052649 945752483 /nfs/dbraw/zinc/75/24/83/945752483.db2.gz ZGGJQXVCVUEZSM-UHFFFAOYSA-N 1 1 366.509 3.939 20 30 FHEDMO COc1cc(CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)ccc1C#N ZINC000281743284 945826435 /nfs/dbraw/zinc/82/64/35/945826435.db2.gz QPHCTSNYMXQFLK-MRXNPFEDSA-N 1 1 351.450 3.572 20 30 FHEDMO CN(CC[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1 ZINC000303300704 945848990 /nfs/dbraw/zinc/84/89/90/945848990.db2.gz OLOALEJDRQQRHJ-UHFFFAOYSA-N 1 1 374.488 3.806 20 30 FHEDMO CN(CC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1 ZINC000303300704 945849002 /nfs/dbraw/zinc/84/90/02/945849002.db2.gz OLOALEJDRQQRHJ-UHFFFAOYSA-N 1 1 374.488 3.806 20 30 FHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000439691382 945881939 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355.526 3.595 20 30 FHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665557285 946026473 /nfs/dbraw/zinc/02/64/73/946026473.db2.gz QOZJSFPEABARAE-CYBMUJFWSA-N 1 1 355.935 3.972 20 30 FHEDMO C=C1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000444181928 946039387 /nfs/dbraw/zinc/03/93/87/946039387.db2.gz KRBLATUYUIQDOQ-UHFFFAOYSA-N 1 1 351.494 3.586 20 30 FHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)C1 ZINC000661378461 946051797 /nfs/dbraw/zinc/05/17/97/946051797.db2.gz GXHQPNKVRYXNLJ-ROUUACIJSA-N 1 1 371.525 3.784 20 30 FHEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000661381008 946052985 /nfs/dbraw/zinc/05/29/85/946052985.db2.gz STMUXGYSXVDLPP-SFHVURJKSA-N 1 1 352.482 3.716 20 30 FHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000661381008 946052997 /nfs/dbraw/zinc/05/29/97/946052997.db2.gz STMUXGYSXVDLPP-SFHVURJKSA-N 1 1 352.482 3.716 20 30 FHEDMO CCC[N@@H+](CCOc1cccc(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729483663 946073558 /nfs/dbraw/zinc/07/35/58/946073558.db2.gz KCGVEDTWXPKYFM-SFHVURJKSA-N 1 1 373.497 3.658 20 30 FHEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000093298522 946103803 /nfs/dbraw/zinc/10/38/03/946103803.db2.gz MSYHWAUSZDIGDF-QGZVFWFLSA-N 1 1 367.411 3.968 20 30 FHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC1CCC(C#N)CC1)C1CC1 ZINC000441014888 946117374 /nfs/dbraw/zinc/11/73/74/946117374.db2.gz PWUMUEBDFROZDG-NGICGMGXSA-N 1 1 368.525 3.526 20 30 FHEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000520173446 946226883 /nfs/dbraw/zinc/22/68/83/946226883.db2.gz KRWJBUCDXAPQFC-SJKOYZFVSA-N 1 1 353.388 3.507 20 30 FHEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000520173446 946226889 /nfs/dbraw/zinc/22/68/89/946226889.db2.gz KRWJBUCDXAPQFC-SJKOYZFVSA-N 1 1 353.388 3.507 20 30 FHEDMO CS[C@@H]1CCCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000441137688 946250761 /nfs/dbraw/zinc/25/07/61/946250761.db2.gz 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372.440 3.729 20 30 FHEDMO CCSc1cccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000473142065 946582181 /nfs/dbraw/zinc/58/21/81/946582181.db2.gz ISAOIKJWTHSADD-HRAATJIYSA-N 1 1 363.486 3.644 20 30 FHEDMO CCSc1cccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000473142065 946582187 /nfs/dbraw/zinc/58/21/87/946582187.db2.gz ISAOIKJWTHSADD-HRAATJIYSA-N 1 1 363.486 3.644 20 30 FHEDMO C[N@H+](Cc1ccc2ccccc2c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867440 946743993 /nfs/dbraw/zinc/74/39/93/946743993.db2.gz AVPMNIZQQRMLHZ-JOCHJYFZSA-N 1 1 360.457 3.778 20 30 FHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccccc1OCC(=O)N(C)C ZINC000475288736 946827647 /nfs/dbraw/zinc/82/76/47/946827647.db2.gz UMZQWDHYJRXUAZ-UHFFFAOYSA-N 1 1 352.478 3.732 20 30 FHEDMO COCC[N@@H+](C)CC[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccccc1 ZINC000067372070 946900064 /nfs/dbraw/zinc/90/00/64/946900064.db2.gz IMLBSDWNIOMNER-KRWDZBQOSA-N 1 1 358.873 3.728 20 30 FHEDMO C[C@]1(O)CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000475342253 946912239 /nfs/dbraw/zinc/91/22/39/946912239.db2.gz IGVCLTZCLMMFBR-QFIPXVFZSA-N 1 1 350.462 3.874 20 30 FHEDMO C#CC[N@H+](CC[C@H]1CCOC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000783567454 946934767 /nfs/dbraw/zinc/93/47/67/946934767.db2.gz PKZJGZFRJVBXKG-WMLDXEAASA-N 1 1 364.283 3.635 20 30 FHEDMO O=C(C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)NC1CCCCC1 ZINC000328614396 946958510 /nfs/dbraw/zinc/95/85/10/946958510.db2.gz RBXYLBZIGDJIHU-LBPRGKRZSA-N 1 1 358.408 3.897 20 30 FHEDMO O=C(C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)NC1CCCCC1 ZINC000328614396 946958516 /nfs/dbraw/zinc/95/85/16/946958516.db2.gz RBXYLBZIGDJIHU-LBPRGKRZSA-N 1 1 358.408 3.897 20 30 FHEDMO CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c12 ZINC000328637618 946961401 /nfs/dbraw/zinc/96/14/01/946961401.db2.gz AYPGUMNREABYSK-WBVHZDCISA-N 1 1 356.470 3.669 20 30 FHEDMO Cc1ccc(CNC(=O)CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000328648575 946965543 /nfs/dbraw/zinc/96/55/43/946965543.db2.gz IFWPIEOVPGNWGN-IBGZPJMESA-N 1 1 366.509 3.864 20 30 FHEDMO COCCO[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193127404 946971907 /nfs/dbraw/zinc/97/19/07/946971907.db2.gz MHGPDGRLNLLCEV-QFIPXVFZSA-N 1 1 364.489 3.624 20 30 FHEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@]2(C)CCC(=O)NC2)C[C@@H](C)O1 ZINC000328670157 946973835 /nfs/dbraw/zinc/97/38/35/946973835.db2.gz MLUIJVDPHWMPBW-WHSLLNHNSA-N 1 1 373.497 3.509 20 30 FHEDMO COc1ccc(-c2ccc(C)c(NC(=O)N3CC[N@@H+](C)[C@@H](C)[C@H]3C)c2)cn1 ZINC000328713487 947000893 /nfs/dbraw/zinc/00/08/93/947000893.db2.gz RZXCOWXMLITMCV-JKSUJKDBSA-N 1 1 368.481 3.636 20 30 FHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc3nsnc32)C1 ZINC000328735879 947003916 /nfs/dbraw/zinc/00/39/16/947003916.db2.gz KURRKHNVSWSUMI-OMNBBPDLSA-N 1 1 374.510 3.541 20 30 FHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000328750379 947009617 /nfs/dbraw/zinc/00/96/17/947009617.db2.gz RDPBAQAMMAKGTO-HZEGPAAWSA-N 1 1 370.537 3.936 20 30 FHEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000444602712 947030683 /nfs/dbraw/zinc/03/06/83/947030683.db2.gz LVRQJRYFLXMVGR-UHFFFAOYSA-N 1 1 365.880 3.957 20 30 FHEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328811052 947032419 /nfs/dbraw/zinc/03/24/19/947032419.db2.gz MTAXCCSSDHHHRQ-JQERWDHBSA-N 1 1 360.498 3.648 20 30 FHEDMO O=C(C[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)NC1CC1 ZINC000328821608 947038070 /nfs/dbraw/zinc/03/80/70/947038070.db2.gz RERHOFZAKBTAET-HNNXBMFYSA-N 1 1 360.502 3.881 20 30 FHEDMO O=C(C[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)NC1CC1 ZINC000328821608 947038075 /nfs/dbraw/zinc/03/80/75/947038075.db2.gz RERHOFZAKBTAET-HNNXBMFYSA-N 1 1 360.502 3.881 20 30 FHEDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000328787860 947046873 /nfs/dbraw/zinc/04/68/73/947046873.db2.gz XIKYPJOVNQFQJB-UHFFFAOYSA-N 1 1 372.472 3.965 20 30 FHEDMO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC(=O)N2)cc1Br ZINC000328839217 947058920 /nfs/dbraw/zinc/05/89/20/947058920.db2.gz YORNLYTXQCPMJQ-CYBMUJFWSA-N 1 1 354.248 3.608 20 30 FHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000444686144 947088648 /nfs/dbraw/zinc/08/86/48/947088648.db2.gz RMGYRUFDYLUKTM-IBGZPJMESA-N 1 1 361.489 3.985 20 30 FHEDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)c1 ZINC000328936941 947092315 /nfs/dbraw/zinc/09/23/15/947092315.db2.gz CTORSBMTVIVXFM-HKJQZYRSSA-N 1 1 360.498 3.532 20 30 FHEDMO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328940031 947094766 /nfs/dbraw/zinc/09/47/66/947094766.db2.gz SGGDTIRLPJUIEQ-MJGOQNOKSA-N 1 1 367.497 3.821 20 30 FHEDMO CCn1c2ccccc2nc1SCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328954594 947099700 /nfs/dbraw/zinc/09/97/00/947099700.db2.gz YKVRJNXUUXUONA-HZPDHXFCSA-N 1 1 358.511 3.732 20 30 FHEDMO Cc1ncc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000328905062 947102206 /nfs/dbraw/zinc/10/22/06/947102206.db2.gz AMGJOMPPGBKJDD-BLLLJJGKSA-N 1 1 350.825 3.508 20 30 FHEDMO COc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1OCCCC#N ZINC000544610451 947109408 /nfs/dbraw/zinc/10/94/08/947109408.db2.gz OZMFXYNVFXUAPI-ZWKOTPCHSA-N 1 1 360.498 3.607 20 30 FHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444703240 947130202 /nfs/dbraw/zinc/13/02/02/947130202.db2.gz JTLUWHMQMZOGDV-MNOVXSKESA-N 1 1 359.779 3.813 20 30 FHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444703240 947130206 /nfs/dbraw/zinc/13/02/06/947130206.db2.gz JTLUWHMQMZOGDV-MNOVXSKESA-N 1 1 359.779 3.813 20 30 FHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000444751561 947188037 /nfs/dbraw/zinc/18/80/37/947188037.db2.gz FEQRXZTVDXKHFS-QZTJIDSGSA-N 1 1 357.498 3.698 20 30 FHEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330549098 947205874 /nfs/dbraw/zinc/20/58/74/947205874.db2.gz RBWWCVGSXCGRBO-GFCCVEGCSA-N 1 1 360.424 3.693 20 30 FHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)cc1 ZINC000093770821 947212767 /nfs/dbraw/zinc/21/27/67/947212767.db2.gz QSUDMAUNJPUDSE-KRWDZBQOSA-N 1 1 356.432 3.958 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)Cc1ccccc1Br ZINC000662079152 947214243 /nfs/dbraw/zinc/21/42/43/947214243.db2.gz KVIUOEKARPNIGC-IYBDPMFKSA-N 1 1 363.299 3.591 20 30 FHEDMO CCN(C)C(=O)c1cccc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000330612240 947216464 /nfs/dbraw/zinc/21/64/64/947216464.db2.gz WYTVIRJTLRDAJR-CALCHBBNSA-N 1 1 373.541 3.840 20 30 FHEDMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330597883 947222573 /nfs/dbraw/zinc/22/25/73/947222573.db2.gz DALNILLSXULNSK-HGHGUNKESA-N 1 1 357.498 3.665 20 30 FHEDMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330597883 947222583 /nfs/dbraw/zinc/22/25/83/947222583.db2.gz DALNILLSXULNSK-HGHGUNKESA-N 1 1 357.498 3.665 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)Cc1cc(Br)cs1 ZINC000662085727 947222899 /nfs/dbraw/zinc/22/28/99/947222899.db2.gz JJCYAXSECJHUKG-OKILXGFUSA-N 1 1 369.328 3.652 20 30 FHEDMO CNc1ccc(Cl)c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000330653664 947225952 /nfs/dbraw/zinc/22/59/52/947225952.db2.gz RPEULDWZSITXCV-STQMWFEESA-N 1 1 353.894 3.574 20 30 FHEDMO C=CC[C@@H]1[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CCCC1(C)C ZINC000444788428 947228753 /nfs/dbraw/zinc/22/87/53/947228753.db2.gz VILUKPVZXWMJBJ-KRWDZBQOSA-N 1 1 366.527 3.631 20 30 FHEDMO C=CC[C@@H]1[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CCCC1(C)C ZINC000444794458 947233341 /nfs/dbraw/zinc/23/33/41/947233341.db2.gz VXDDGLNFJZYWND-SFHVURJKSA-N 1 1 350.528 3.504 20 30 FHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125513679 947246920 /nfs/dbraw/zinc/24/69/20/947246920.db2.gz FCRZDUPJZXVWHQ-KRWDZBQOSA-N 1 1 361.530 3.531 20 30 FHEDMO N#CCc1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1 ZINC000536313082 947259032 /nfs/dbraw/zinc/25/90/32/947259032.db2.gz CWMYYLLFHKIYGA-UHFFFAOYSA-N 1 1 354.479 3.837 20 30 FHEDMO CC[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC[C@@H]1c1ccccc1 ZINC000599304841 947303428 /nfs/dbraw/zinc/30/34/28/947303428.db2.gz RJDJVCVRWMNZMU-NRSPTQNISA-N 1 1 356.510 3.573 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(C)C)c(OC)c2)C[C@@H]1C ZINC000330964238 947317923 /nfs/dbraw/zinc/31/79/23/947317923.db2.gz CAYPEUBMYCJTGJ-DOTOQJQBSA-N 1 1 363.502 3.833 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)C[C@H]1C ZINC000331109653 947348159 /nfs/dbraw/zinc/34/81/59/947348159.db2.gz HUBLFJBYJPRTQM-AEFFLSMTSA-N 1 1 374.529 3.940 20 30 FHEDMO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000331119480 947351278 /nfs/dbraw/zinc/35/12/78/947351278.db2.gz LRBZNEUXOQDQSB-RDJZCZTQSA-N 1 1 360.502 3.694 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(NC(C)=O)cc2Cl)C[C@@H]1C ZINC000331125990 947353151 /nfs/dbraw/zinc/35/31/51/947353151.db2.gz NSYPGLASTQOCDB-WFASDCNBSA-N 1 1 366.893 3.649 20 30 FHEDMO CC(C)C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1cccs1 ZINC000331228767 947364978 /nfs/dbraw/zinc/36/49/78/947364978.db2.gz OTBALDSJDZWDNB-HOTGVXAUSA-N 1 1 367.559 3.526 20 30 FHEDMO CC(=O)Nc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(Cl)c1 ZINC000331236506 947377150 /nfs/dbraw/zinc/37/71/50/947377150.db2.gz HLUXIJGSFXDPLS-OAHLLOKOSA-N 1 1 366.893 3.650 20 30 FHEDMO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(Cl)cc1Cl ZINC000331342056 947389211 /nfs/dbraw/zinc/38/92/11/947389211.db2.gz KOLIPLMQZUQWHR-CENBSLRLSA-N 1 1 354.281 3.841 20 30 FHEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1-n1cncn1 ZINC000093872145 947430256 /nfs/dbraw/zinc/43/02/56/947430256.db2.gz FSBDAAXIKIKTPX-RBBKRZOGSA-N 1 1 357.461 3.848 20 30 FHEDMO C=CCC[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)c1ccccc1 ZINC000188372357 947551805 /nfs/dbraw/zinc/55/18/05/947551805.db2.gz WEXGTGAATYTHJS-HXUWFJFHSA-N 1 1 365.477 3.875 20 30 FHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127823361 947589151 /nfs/dbraw/zinc/58/91/51/947589151.db2.gz FDOGTKMZZSNMDK-CYBMUJFWSA-N 1 1 351.853 3.642 20 30 FHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127823361 947589158 /nfs/dbraw/zinc/58/91/58/947589158.db2.gz FDOGTKMZZSNMDK-CYBMUJFWSA-N 1 1 351.853 3.642 20 30 FHEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)CC1(c2ccccc2)CC1 ZINC000189299141 947674396 /nfs/dbraw/zinc/67/43/96/947674396.db2.gz PYYVSTGMDNCNAJ-UHFFFAOYSA-N 1 1 365.502 3.904 20 30 FHEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)CC1(c2ccccc2)CC1 ZINC000189299141 947674401 /nfs/dbraw/zinc/67/44/01/947674401.db2.gz PYYVSTGMDNCNAJ-UHFFFAOYSA-N 1 1 365.502 3.904 20 30 FHEDMO C=CCSc1ccccc1NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298392 947720980 /nfs/dbraw/zinc/72/09/80/947720980.db2.gz VXKJGKOJAVARSF-SFHVURJKSA-N 1 1 373.566 3.615 20 30 FHEDMO COCC[N@@H+](CCOc1ccc(SC)cc1)Cc1ccc(C#N)cc1 ZINC000441478347 947868453 /nfs/dbraw/zinc/86/84/53/947868453.db2.gz DWRKBAOOTRCDFJ-UHFFFAOYSA-N 1 1 356.491 3.808 20 30 FHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000487390011 947888542 /nfs/dbraw/zinc/88/85/42/947888542.db2.gz DWZUWPQCDZKUOG-UHFFFAOYSA-N 1 1 368.525 3.648 20 30 FHEDMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000057907828 948109863 /nfs/dbraw/zinc/10/98/63/948109863.db2.gz SBCDKXLCWIXABA-NEPJUHHUSA-N 1 1 354.281 3.795 20 30 FHEDMO Cc1[nH+]ccn1CCCNc1c(Br)cc(Cl)cc1C#N ZINC000585707377 948222505 /nfs/dbraw/zinc/22/25/05/948222505.db2.gz LFGGTZQTMKIVPL-UHFFFAOYSA-N 1 1 353.651 3.981 20 30 FHEDMO CC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543944184 948239529 /nfs/dbraw/zinc/23/95/29/948239529.db2.gz IQAYHZQAAGYZRE-INIZCTEOSA-N 1 1 350.466 3.537 20 30 FHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cscc2C#N)C1 ZINC000432396579 948326774 /nfs/dbraw/zinc/32/67/74/948326774.db2.gz DMYWXQDHTBSOFG-OAHLLOKOSA-N 1 1 353.491 3.782 20 30 FHEDMO C=C(C[NH2+]Cc1ncc(I)s1)c1ccccc1 ZINC000512115674 948451660 /nfs/dbraw/zinc/45/16/60/948451660.db2.gz QUYALLSTVRUDPG-UHFFFAOYSA-N 1 1 356.232 3.551 20 30 FHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000617216670 948706538 /nfs/dbraw/zinc/70/65/38/948706538.db2.gz HMRYUTAIPVEHQJ-CVEARBPZSA-N 1 1 363.299 3.959 20 30 FHEDMO CC(C)(C)[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(F)cc1F ZINC000579593628 948724541 /nfs/dbraw/zinc/72/45/41/948724541.db2.gz XOKMWDDHFVKXDE-KRWDZBQOSA-N 1 1 355.392 3.756 20 30 FHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481364052 567824187 /nfs/dbraw/zinc/82/41/87/567824187.db2.gz ZUFOIRHJUOQNLH-CQSZACIVSA-N 1 1 357.454 3.967 20 30 FHEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481364052 567824188 /nfs/dbraw/zinc/82/41/88/567824188.db2.gz ZUFOIRHJUOQNLH-CQSZACIVSA-N 1 1 357.454 3.967 20 30 FHEDMO C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000366005430 567835884 /nfs/dbraw/zinc/83/58/84/567835884.db2.gz CVRYBWXJOVDKPY-JTWUUNPKSA-N 1 1 361.917 3.752 20 30 FHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000584662983 567940139 /nfs/dbraw/zinc/94/01/39/567940139.db2.gz QLAKOEIPICRTNJ-QFIPXVFZSA-N 1 1 361.489 3.522 20 30 FHEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000521423922 567996725 /nfs/dbraw/zinc/99/67/25/567996725.db2.gz FSCBCXZCTVNXDZ-RBBKRZOGSA-N 1 1 350.462 3.915 20 30 FHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602856894 568002566 /nfs/dbraw/zinc/00/25/66/568002566.db2.gz SZARLYOKVBMKOX-AZUAARDMSA-N 1 1 362.477 3.596 20 30 FHEDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000568456668 568039948 /nfs/dbraw/zinc/03/99/48/568039948.db2.gz JIQPLNUFCIBGRJ-INIZCTEOSA-N 1 1 350.466 3.760 20 30 FHEDMO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330265597 568041451 /nfs/dbraw/zinc/04/14/51/568041451.db2.gz ZLNXKORDPSYIFR-MRXNPFEDSA-N 1 1 366.889 3.554 20 30 FHEDMO N#Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000481621932 568068796 /nfs/dbraw/zinc/06/87/96/568068796.db2.gz GVTGYFMOQSKWLT-CQSZACIVSA-N 1 1 372.469 3.793 20 30 FHEDMO CC[C@@H](C[N@H+](CC)CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000481740638 568099849 /nfs/dbraw/zinc/09/98/49/568099849.db2.gz NCYQVMSVBVTEHR-IBGZPJMESA-N 1 1 370.518 3.848 20 30 FHEDMO CC[C@@H](C[N@@H+](CC)CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000481740638 568099850 /nfs/dbraw/zinc/09/98/50/568099850.db2.gz NCYQVMSVBVTEHR-IBGZPJMESA-N 1 1 370.518 3.848 20 30 FHEDMO CC[C@H](C[N@H+](CC)CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000481740639 568100225 /nfs/dbraw/zinc/10/02/25/568100225.db2.gz NCYQVMSVBVTEHR-LJQANCHMSA-N 1 1 370.518 3.848 20 30 FHEDMO CC[C@H](C[N@@H+](CC)CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000481740639 568100226 /nfs/dbraw/zinc/10/02/26/568100226.db2.gz NCYQVMSVBVTEHR-LJQANCHMSA-N 1 1 370.518 3.848 20 30 FHEDMO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000303638359 568268119 /nfs/dbraw/zinc/26/81/19/568268119.db2.gz HHOKNOYEBFHKHV-HGHGUNKESA-N 1 1 357.473 3.626 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)nc1 ZINC000569018228 568271524 /nfs/dbraw/zinc/27/15/24/568271524.db2.gz XSFMLBWITJGZSZ-INIZCTEOSA-N 1 1 363.396 3.522 20 30 FHEDMO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000506433938 568288587 /nfs/dbraw/zinc/28/85/87/568288587.db2.gz QBHADFYPGZPSBQ-UHFFFAOYSA-N 1 1 351.397 3.961 20 30 FHEDMO Cc1cccc(C[N@@H+](CC(C)C)C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000604500752 568301695 /nfs/dbraw/zinc/30/16/95/568301695.db2.gz QNXYMAALFREQOI-QFIPXVFZSA-N 1 1 366.505 3.959 20 30 FHEDMO COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365220730 568329779 /nfs/dbraw/zinc/32/97/79/568329779.db2.gz IOAYZNYKGWYRRH-UPZYVNNASA-N 1 1 371.525 3.519 20 30 FHEDMO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)no1 ZINC000067962815 568343729 /nfs/dbraw/zinc/34/37/29/568343729.db2.gz OKDYXBHKSJQLNT-INIZCTEOSA-N 1 1 370.478 3.571 20 30 FHEDMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)no1 ZINC000067962815 568343730 /nfs/dbraw/zinc/34/37/30/568343730.db2.gz OKDYXBHKSJQLNT-INIZCTEOSA-N 1 1 370.478 3.571 20 30 FHEDMO Cc1cc(C#N)cc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000569570408 568408090 /nfs/dbraw/zinc/40/80/90/568408090.db2.gz KDANDSGNOOCVCY-PZJWPPBQSA-N 1 1 360.461 3.605 20 30 FHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000569723631 568413956 /nfs/dbraw/zinc/41/39/56/568413956.db2.gz MBGDYODIGATWFQ-BEFAXECRSA-N 1 1 361.449 3.583 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007018627 568425986 /nfs/dbraw/zinc/42/59/86/568425986.db2.gz NBEHMQUSURXKLU-YWZLYKJASA-N 1 1 370.522 3.530 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007018627 568425987 /nfs/dbraw/zinc/42/59/87/568425987.db2.gz NBEHMQUSURXKLU-YWZLYKJASA-N 1 1 370.522 3.530 20 30 FHEDMO COc1ccc(C#N)cc1C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000570174241 568459291 /nfs/dbraw/zinc/45/92/91/568459291.db2.gz UQTODUSOMLJNNU-UHFFFAOYSA-N 1 1 357.841 3.659 20 30 FHEDMO N#Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)Cc2cccc(F)c2)cc1 ZINC000049981447 568645971 /nfs/dbraw/zinc/64/59/71/568645971.db2.gz GFQYBPCDWDPWOJ-UHFFFAOYSA-N 1 1 373.431 3.999 20 30 FHEDMO N#Cc1c(C#N)c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2c1CCCCCC2 ZINC000408328462 568704388 /nfs/dbraw/zinc/70/43/88/568704388.db2.gz GVOZUACRXZWJKE-OAHLLOKOSA-N 1 1 360.465 3.591 20 30 FHEDMO CCN1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632998 571325359 /nfs/dbraw/zinc/32/53/59/571325359.db2.gz LRWRZNFWYNOBAN-RBDMOPTHSA-N 1 1 365.525 3.758 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)cc1F ZINC000225536765 571337075 /nfs/dbraw/zinc/33/70/75/571337075.db2.gz TWSIGULIBTWMCW-CYBMUJFWSA-N 1 1 352.335 3.819 20 30 FHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000823932147 608520975 /nfs/dbraw/zinc/52/09/75/608520975.db2.gz PYUHQTOWUNGARZ-UHFFFAOYSA-N 1 1 369.856 3.717 20 30 FHEDMO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726883 720473350 /nfs/dbraw/zinc/47/33/50/720473350.db2.gz MWAXYCRLFGDVJP-CVEARBPZSA-N 1 1 374.275 3.508 20 30 FHEDMO CC(C)c1ccc(C#N)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164855850 720929698 /nfs/dbraw/zinc/92/96/98/720929698.db2.gz JOHYIUCJCJDSAV-INIZCTEOSA-N 1 1 366.513 3.695 20 30 FHEDMO C=CC[NH+]1CCN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 ZINC001165031885 721866545 /nfs/dbraw/zinc/86/65/45/721866545.db2.gz YNOVIWVNKKQZQH-UHFFFAOYSA-N 1 1 357.461 3.514 20 30 FHEDMO Cc1cc(C#N)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1C ZINC001164992859 722197742 /nfs/dbraw/zinc/19/77/42/722197742.db2.gz BIQAKQPIJDZSKA-JOCHJYFZSA-N 1 1 364.468 3.954 20 30 FHEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000091510199 936326371 /nfs/dbraw/zinc/32/63/71/936326371.db2.gz VBSXSJZGCJOURU-LJQANCHMSA-N 1 1 358.526 3.907 20 30 FHEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2)C1 ZINC000583421962 936344095 /nfs/dbraw/zinc/34/40/95/936344095.db2.gz VTYIIXWWDXRHLE-JTSKRJEESA-N 1 1 367.493 3.820 20 30 FHEDMO COc1ccc(Br)c(C[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000178745136 936386473 /nfs/dbraw/zinc/38/64/73/936386473.db2.gz KLUCTHJVZMKOOE-UHFFFAOYSA-N 1 1 361.239 3.650 20 30 FHEDMO C=CCC1(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CCCCC1 ZINC000458387766 937126080 /nfs/dbraw/zinc/12/60/80/937126080.db2.gz CWHDQPQTBFVLNI-UHFFFAOYSA-N 1 1 356.514 3.937 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000246834044 927039311 /nfs/dbraw/zinc/03/93/11/927039311.db2.gz UJRIXAFQGXAXFV-IIDMSEBBSA-N 1 1 351.425 3.902 20 30 FHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654733966 927217613 /nfs/dbraw/zinc/21/76/13/927217613.db2.gz GDIGOSJCKIDROW-PMACEKPBSA-N 1 1 373.545 3.569 20 30 FHEDMO CC(C)[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)[N@H+]1CCc2ccccc2C1 ZINC000583124185 937145859 /nfs/dbraw/zinc/14/58/59/937145859.db2.gz QUXAZGSJDUHBQP-NZQKXSOJSA-N 1 1 365.521 3.660 20 30 FHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCC[C@@H]1C ZINC000120107474 927253386 /nfs/dbraw/zinc/25/33/86/927253386.db2.gz RRALIUQWYLOYLS-LPHOPBHVSA-N 1 1 365.481 3.583 20 30 FHEDMO N#Cc1cc(Cl)cc(Br)c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000557658049 927303350 /nfs/dbraw/zinc/30/33/50/927303350.db2.gz YUUJHVFIAQYISL-NSHDSACASA-N 1 1 351.635 3.598 20 30 FHEDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C(C)C ZINC000430149833 927359134 /nfs/dbraw/zinc/35/91/34/927359134.db2.gz QZDSUOAMSJOZMW-HOCLYGCPSA-N 1 1 354.372 3.597 20 30 FHEDMO C=CCC1(NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CCCCC1 ZINC000458398518 937161820 /nfs/dbraw/zinc/16/18/20/937161820.db2.gz FIOFYOVJMDEHQF-MOPGFXCFSA-N 1 1 365.562 3.702 20 30 FHEDMO CN(CC(C)(C)C#N)C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000458408566 937186245 /nfs/dbraw/zinc/18/62/45/937186245.db2.gz LCMOEDNIROFLCO-LJQANCHMSA-N 1 1 370.541 3.651 20 30 FHEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000248042992 937198940 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CCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000023450866 928644327 /nfs/dbraw/zinc/64/43/27/928644327.db2.gz GUVXWUBMOWNJLM-UHFFFAOYSA-N 1 1 367.518 3.839 20 30 FHEDMO CCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000023450866 928644337 /nfs/dbraw/zinc/64/43/37/928644337.db2.gz GUVXWUBMOWNJLM-UHFFFAOYSA-N 1 1 367.518 3.839 20 30 FHEDMO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000076952209 928741547 /nfs/dbraw/zinc/74/15/47/928741547.db2.gz GLRPVZJXUGKBLZ-ROUUACIJSA-N 1 1 362.477 3.535 20 30 FHEDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000076952209 928741566 /nfs/dbraw/zinc/74/15/66/928741566.db2.gz GLRPVZJXUGKBLZ-ROUUACIJSA-N 1 1 362.477 3.535 20 30 FHEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001167086409 928925156 /nfs/dbraw/zinc/92/51/56/928925156.db2.gz ZLJJVKHZAYSJKQ-QFBILLFUSA-N 1 1 356.853 3.788 20 30 FHEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001167086408 928925725 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C[C@@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1ccc(C#N)cc1 ZINC000583377589 937392985 /nfs/dbraw/zinc/39/29/85/937392985.db2.gz NVDUKUUQXXIIRR-VOQZNFBZSA-N 1 1 374.488 3.535 20 30 FHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000610390087 930302566 /nfs/dbraw/zinc/30/25/66/930302566.db2.gz ARTXHZUIEQTZHY-SFHVURJKSA-N 1 1 367.474 3.783 20 30 FHEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000610390087 930302573 /nfs/dbraw/zinc/30/25/73/930302573.db2.gz ARTXHZUIEQTZHY-SFHVURJKSA-N 1 1 367.474 3.783 20 30 FHEDMO Cn1cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c(C2CCCCC2)n1 ZINC000328709557 930471634 /nfs/dbraw/zinc/47/16/34/930471634.db2.gz BJGYGGBEUWEOFL-UHFFFAOYSA-N 1 1 366.509 3.831 20 30 FHEDMO Cn1cc(C(=O)NCC[N@H+]2CCc3ccccc3C2)c(C2CCCCC2)n1 ZINC000328709557 930471638 /nfs/dbraw/zinc/47/16/38/930471638.db2.gz BJGYGGBEUWEOFL-UHFFFAOYSA-N 1 1 366.509 3.831 20 30 FHEDMO C[C@H]1C[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379677390 930530529 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C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000610446368 930813940 /nfs/dbraw/zinc/81/39/40/930813940.db2.gz VBNIDOBYAUWVOT-LJQANCHMSA-N 1 1 361.489 3.614 20 30 FHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000077317777 930960611 /nfs/dbraw/zinc/96/06/11/930960611.db2.gz SSCZDBOXBDIEJK-HXUWFJFHSA-N 1 1 354.475 3.736 20 30 FHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000119260080 930975301 /nfs/dbraw/zinc/97/53/01/930975301.db2.gz KDOVBMSZSWMXBX-UHFFFAOYSA-N 1 1 369.421 3.896 20 30 FHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000119260080 930975307 /nfs/dbraw/zinc/97/53/07/930975307.db2.gz KDOVBMSZSWMXBX-UHFFFAOYSA-N 1 1 369.421 3.896 20 30 FHEDMO COc1ccc(C[C@@H]2CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)cc1 ZINC000579783227 931016399 /nfs/dbraw/zinc/01/63/99/931016399.db2.gz MLYUDQXYNWPYHI-INIZCTEOSA-N 1 1 369.490 3.522 20 30 FHEDMO COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)cc1 ZINC000579783227 931016412 /nfs/dbraw/zinc/01/64/12/931016412.db2.gz MLYUDQXYNWPYHI-INIZCTEOSA-N 1 1 369.490 3.522 20 30 FHEDMO C=CCn1c(SCC[C@@H]2CCC[N@H+]2C)nnc1-c1cccc(OC)c1 ZINC000126869724 931246808 /nfs/dbraw/zinc/24/68/08/931246808.db2.gz RGPQEJIXBUGIKH-INIZCTEOSA-N 1 1 358.511 3.716 20 30 FHEDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000684108584 931336164 /nfs/dbraw/zinc/33/61/64/931336164.db2.gz GOIGWTFZJGWZLE-XMSQKQJNSA-N 1 1 369.892 3.734 20 30 FHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cc(F)c(F)cc1OC)C2 ZINC001143386012 931421338 /nfs/dbraw/zinc/42/13/38/931421338.db2.gz AZTFJKDKHFXQOZ-FQEVSTJZSA-N 1 1 364.436 3.507 20 30 FHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cc(F)c(F)cc1OC)C2 ZINC001143386012 931421344 /nfs/dbraw/zinc/42/13/44/931421344.db2.gz AZTFJKDKHFXQOZ-FQEVSTJZSA-N 1 1 364.436 3.507 20 30 FHEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1cccs1 ZINC000177901533 931524395 /nfs/dbraw/zinc/52/43/95/931524395.db2.gz RLNWJAQSCYKICR-FZKQIMNGSA-N 1 1 372.469 3.963 20 30 FHEDMO CC(C)CC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093100783 931851246 /nfs/dbraw/zinc/85/12/46/931851246.db2.gz OVXUHOCIVSBERH-UHFFFAOYSA-N 1 1 355.442 3.757 20 30 FHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093100783 931851250 /nfs/dbraw/zinc/85/12/50/931851250.db2.gz OVXUHOCIVSBERH-UHFFFAOYSA-N 1 1 355.442 3.757 20 30 FHEDMO Cc1nc(N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)cc1C#N ZINC000581343908 931864756 /nfs/dbraw/zinc/86/47/56/931864756.db2.gz HKZDVDHPLIUGFP-DNVCBOLYSA-N 1 1 370.884 3.617 20 30 FHEDMO Cc1nc(N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)cc1C#N ZINC000581343908 931864763 /nfs/dbraw/zinc/86/47/63/931864763.db2.gz HKZDVDHPLIUGFP-DNVCBOLYSA-N 1 1 370.884 3.617 20 30 FHEDMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000160882908 931961596 /nfs/dbraw/zinc/96/15/96/931961596.db2.gz AXVLZIRPCXIUHH-HNNXBMFYSA-N 1 1 369.490 3.770 20 30 FHEDMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000160882908 931961603 /nfs/dbraw/zinc/96/16/03/931961603.db2.gz AXVLZIRPCXIUHH-HNNXBMFYSA-N 1 1 369.490 3.770 20 30 FHEDMO C=C(C)Cn1c(C)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000581501139 932174319 /nfs/dbraw/zinc/17/43/19/932174319.db2.gz ISGYPPSFFNZYIF-UHFFFAOYSA-N 1 1 365.525 3.655 20 30 FHEDMO C[C@H]1SCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1c1ccccc1 ZINC000581513209 932191994 /nfs/dbraw/zinc/19/19/94/932191994.db2.gz HKMBVFKUWLAGTJ-XLIONFOSSA-N 1 1 371.550 3.850 20 30 FHEDMO C[C@H]1SCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1c1ccccc1 ZINC000581513209 932192000 /nfs/dbraw/zinc/19/20/00/932192000.db2.gz HKMBVFKUWLAGTJ-XLIONFOSSA-N 1 1 371.550 3.850 20 30 FHEDMO Cc1[nH]c2c(cc(C)cc2CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1C ZINC000328800357 932271496 /nfs/dbraw/zinc/27/14/96/932271496.db2.gz IGHKTNBWZPPKAF-RTBURBONSA-N 1 1 354.498 3.724 20 30 FHEDMO CCOc1ccc2nc(NC(=O)C[NH+]3CCC(CCC#N)CC3)sc2c1 ZINC000581605719 932302687 /nfs/dbraw/zinc/30/26/87/932302687.db2.gz UZZWSDSFIFNUEN-UHFFFAOYSA-N 1 1 372.494 3.649 20 30 FHEDMO COc1ccc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2OC)cc1 ZINC000157333183 932355189 /nfs/dbraw/zinc/35/51/89/932355189.db2.gz VRCQYFNXVQZEHX-IBGZPJMESA-N 1 1 352.434 3.791 20 30 FHEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)COC)cc1OCC ZINC000510444144 932413943 /nfs/dbraw/zinc/41/39/43/932413943.db2.gz BBPLCMXOCPWNQF-CYBMUJFWSA-N 1 1 372.303 3.879 20 30 FHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000477219356 932416343 /nfs/dbraw/zinc/41/63/43/932416343.db2.gz UEIRVYGWEABKHJ-LJQANCHMSA-N 1 1 350.418 3.893 20 30 FHEDMO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000558997707 932551456 /nfs/dbraw/zinc/55/14/56/932551456.db2.gz KHWBBEPSNKKNME-LJQANCHMSA-N 1 1 353.514 3.606 20 30 FHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000096966983 932566272 /nfs/dbraw/zinc/56/62/72/932566272.db2.gz XIWCMNWIOYMSGE-GJZGRUSLSA-N 1 1 357.404 3.951 20 30 FHEDMO Cc1cccc(OC[C@H](O)C[N@H+](Cc2ccc(F)cc2C#N)C(C)C)c1 ZINC001167486973 932792140 /nfs/dbraw/zinc/79/21/40/932792140.db2.gz CTBYKSXAXPMWGI-HXUWFJFHSA-N 1 1 356.441 3.656 20 30 FHEDMO Cc1cccc(OC[C@H](O)C[N@@H+](Cc2ccc(F)cc2C#N)C(C)C)c1 ZINC001167486973 932792146 /nfs/dbraw/zinc/79/21/46/932792146.db2.gz CTBYKSXAXPMWGI-HXUWFJFHSA-N 1 1 356.441 3.656 20 30 FHEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000093104445 932896359 /nfs/dbraw/zinc/89/63/59/932896359.db2.gz PVLZDNLOKTVTSK-NRFANRHFSA-N 1 1 363.461 3.606 20 30 FHEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000093104445 932896363 /nfs/dbraw/zinc/89/63/63/932896363.db2.gz PVLZDNLOKTVTSK-NRFANRHFSA-N 1 1 363.461 3.606 20 30 FHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1c(F)c(F)ccc1OC)CC2 ZINC001143407874 933132321 /nfs/dbraw/zinc/13/23/21/933132321.db2.gz QSXPFCWHFVFDTE-HXUWFJFHSA-N 1 1 364.436 3.507 20 30 FHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(OC)c(OC)cc1OC ZINC000510649182 933361727 /nfs/dbraw/zinc/36/17/27/933361727.db2.gz WVXIMBTVOHUYLA-UHFFFAOYSA-N 1 1 357.450 3.909 20 30 FHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(OC)c(OC)cc1OC ZINC000510649182 933361737 /nfs/dbraw/zinc/36/17/37/933361737.db2.gz WVXIMBTVOHUYLA-UHFFFAOYSA-N 1 1 357.450 3.909 20 30 FHEDMO C[C@@H]1C[C@@H](CCNC(=O)Nc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000510675424 933396717 /nfs/dbraw/zinc/39/67/17/933396717.db2.gz ONGGIQSCKJZMCF-YLJYHZDGSA-N 1 1 362.477 3.980 20 30 FHEDMO CCOc1ccc(C#N)cc1NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510730468 933597916 /nfs/dbraw/zinc/59/79/16/933597916.db2.gz DFUXAWBRLXIJDY-CALCHBBNSA-N 1 1 372.513 3.837 20 30 FHEDMO CCN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000588457172 933623471 /nfs/dbraw/zinc/62/34/71/933623471.db2.gz GVVILYYMZVXFRC-OTDUKCBNSA-N 1 1 359.473 3.694 20 30 FHEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c1O ZINC000176117989 933673752 /nfs/dbraw/zinc/67/37/52/933673752.db2.gz BHLZLXPBUFMCGL-SANMLTNESA-N 1 1 373.518 3.889 20 30 FHEDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610676693 933743611 /nfs/dbraw/zinc/74/36/11/933743611.db2.gz ZZNORPRGSXJFRC-IBGZPJMESA-N 1 1 373.460 3.839 20 30 FHEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610676693 933743612 /nfs/dbraw/zinc/74/36/12/933743612.db2.gz ZZNORPRGSXJFRC-IBGZPJMESA-N 1 1 373.460 3.839 20 30 FHEDMO C[N@@H+](C[C@H](O)COc1ccccc1C(F)(F)F)CC(C)(C)CCC#N ZINC000092195921 933975525 /nfs/dbraw/zinc/97/55/25/933975525.db2.gz RTRZSSIQJHIVQF-AWEZNQCLSA-N 1 1 358.404 3.707 20 30 FHEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092400363 934035808 /nfs/dbraw/zinc/03/58/08/934035808.db2.gz GVPAERALIFKURI-AZUAARDMSA-N 1 1 371.525 3.886 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000187665768 934133913 /nfs/dbraw/zinc/13/39/13/934133913.db2.gz FVWJIWHBEHWBDF-KUHUBIRLSA-N 1 1 352.413 3.654 20 30 FHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)ccc1OC ZINC000092706629 934140987 /nfs/dbraw/zinc/14/09/87/934140987.db2.gz KWYMJAWHTMTVQD-IBGZPJMESA-N 1 1 374.525 3.634 20 30 FHEDMO N#Cc1c(NC(=O)CC[NH+]2CCC(F)(C#N)CC2)sc2c1CCCCC2 ZINC000510933645 934190187 /nfs/dbraw/zinc/19/01/87/934190187.db2.gz IMBGLRYXAPHEFB-UHFFFAOYSA-N 1 1 374.485 3.545 20 30 FHEDMO C=CCOc1ccc(-c2nnc(SCCCn3cc[nH+]c3C)o2)cc1 ZINC000535692049 934286235 /nfs/dbraw/zinc/28/62/35/934286235.db2.gz UBUHXGBEAGENLC-UHFFFAOYSA-N 1 1 356.451 3.989 20 30 FHEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458145709 934321855 /nfs/dbraw/zinc/32/18/55/934321855.db2.gz RBNVJQUKRCJFSI-APWZRJJASA-N 1 1 353.470 3.562 20 30 FHEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(-c2ccccc2)n1 ZINC000535809009 934416914 /nfs/dbraw/zinc/41/69/14/934416914.db2.gz BNROSDPBSGIVEJ-PMACEKPBSA-N 1 1 364.493 3.712 20 30 FHEDMO C=CCC[C@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000427143257 934445876 /nfs/dbraw/zinc/44/58/76/934445876.db2.gz HSLVYTKDLGDHPZ-ZVDOUQERSA-N 1 1 358.526 3.742 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000247648253 934514365 /nfs/dbraw/zinc/51/43/65/934514365.db2.gz LCQBAYDZNUIFPH-UHFFFAOYSA-N 1 1 372.472 3.921 20 30 FHEDMO N#Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000156599872 934553970 /nfs/dbraw/zinc/55/39/70/934553970.db2.gz PFVFCFCQCWWVIK-KBXCAEBGSA-N 1 1 358.873 3.692 20 30 FHEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000176227812 934644719 /nfs/dbraw/zinc/64/47/19/934644719.db2.gz NXPLERJOTWDCCN-HXUWFJFHSA-N 1 1 368.502 3.602 20 30 FHEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000176227812 934644723 /nfs/dbraw/zinc/64/47/23/934644723.db2.gz NXPLERJOTWDCCN-HXUWFJFHSA-N 1 1 368.502 3.602 20 30 FHEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000176227823 934644794 /nfs/dbraw/zinc/64/47/94/934644794.db2.gz NXPLERJOTWDCCN-FQEVSTJZSA-N 1 1 368.502 3.602 20 30 FHEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000176227823 934644798 /nfs/dbraw/zinc/64/47/98/934644798.db2.gz NXPLERJOTWDCCN-FQEVSTJZSA-N 1 1 368.502 3.602 20 30 FHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176250147 934665694 /nfs/dbraw/zinc/66/56/94/934665694.db2.gz JMSIBWWZSMWAGP-IEBWSBKVSA-N 1 1 368.502 3.518 20 30 FHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176250147 934665696 /nfs/dbraw/zinc/66/56/96/934665696.db2.gz JMSIBWWZSMWAGP-IEBWSBKVSA-N 1 1 368.502 3.518 20 30 FHEDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000610991551 934719844 /nfs/dbraw/zinc/71/98/44/934719844.db2.gz KKBPAYRREDEELB-IBGZPJMESA-N 1 1 352.434 3.921 20 30 FHEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000610991551 934719847 /nfs/dbraw/zinc/71/98/47/934719847.db2.gz KKBPAYRREDEELB-IBGZPJMESA-N 1 1 352.434 3.921 20 30 FHEDMO N#Cc1cc(C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)ccn1 ZINC000610992661 934732614 /nfs/dbraw/zinc/73/26/14/934732614.db2.gz YUESBCCDGFATIK-IBGZPJMESA-N 1 1 366.852 3.555 20 30 FHEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156678029 934858825 /nfs/dbraw/zinc/85/88/25/934858825.db2.gz BRNVESMGXZOVEW-SFTDATJTSA-N 1 1 360.461 3.798 20 30 FHEDMO COc1cc(C#N)ccc1CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000538784352 934904709 /nfs/dbraw/zinc/90/47/09/934904709.db2.gz NIGNOXMSNOEBCU-MRXNPFEDSA-N 1 1 353.441 3.585 20 30 FHEDMO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000538956148 934967422 /nfs/dbraw/zinc/96/74/22/934967422.db2.gz SQJXNHOWZPQNBA-OAHLLOKOSA-N 1 1 360.404 3.933 20 30 FHEDMO C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000065526982 934981979 /nfs/dbraw/zinc/98/19/79/934981979.db2.gz VLXOCXMWQWIGKK-IXDOHACOSA-N 1 1 356.514 3.675 20 30 FHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cncs1 ZINC000934196981 934984038 /nfs/dbraw/zinc/98/40/38/934984038.db2.gz HHCWWGCEZBQNOD-STQMWFEESA-N 1 1 360.508 3.827 20 30 FHEDMO N#Cc1cccc(OCC[N@H+](CCCO)[C@H]2CCCc3ccccc32)c1 ZINC001167533987 935149007 /nfs/dbraw/zinc/14/90/07/935149007.db2.gz 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ZINC000051400928 935177900 /nfs/dbraw/zinc/17/79/00/935177900.db2.gz PCKIWCCJXQASFF-UHFFFAOYSA-N 1 1 355.239 3.600 20 30 FHEDMO CC(C)(C)OC1CC([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000450888432 935230730 /nfs/dbraw/zinc/23/07/30/935230730.db2.gz MMXDHPWLOHMADW-CTWPCTMYSA-N 1 1 361.917 3.868 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511080868 935308754 /nfs/dbraw/zinc/30/87/54/935308754.db2.gz KSZOEUGOUCFCMC-WOJBJXKFSA-N 1 1 363.452 3.603 20 30 FHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000435063974 935315059 /nfs/dbraw/zinc/31/50/59/935315059.db2.gz DGCTZNYJKHQYRC-DJKXOVBDSA-N 1 1 352.409 3.789 20 30 FHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000435063974 935315064 /nfs/dbraw/zinc/31/50/64/935315064.db2.gz DGCTZNYJKHQYRC-DJKXOVBDSA-N 1 1 352.409 3.789 20 30 FHEDMO Cn1nc(C(F)(F)F)cc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000657386633 935494765 /nfs/dbraw/zinc/49/47/65/935494765.db2.gz 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356.470 3.677 20 30 FHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000413825988 940155654 /nfs/dbraw/zinc/15/56/54/940155654.db2.gz HCGJFTLOXWSCFM-HXUWFJFHSA-N 1 1 366.509 3.572 20 30 FHEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000413835870 940173767 /nfs/dbraw/zinc/17/37/67/940173767.db2.gz OGWVPKUJXOSVRQ-ICSRJNTNSA-N 1 1 355.526 3.690 20 30 FHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000440185806 945306434 /nfs/dbraw/zinc/30/64/34/945306434.db2.gz ROXZTQFZLROAKA-OAQYLSRUSA-N 1 1 368.525 3.766 20 30 FHEDMO C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000255871447 940277359 /nfs/dbraw/zinc/27/73/59/940277359.db2.gz HHSGUPCKXJPFHG-JQYPEGPJSA-N 1 1 372.509 3.510 20 30 FHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000177562196 940278092 /nfs/dbraw/zinc/27/80/92/940278092.db2.gz HYWNTBHITMZFJU-RTBURBONSA-N 1 1 351.494 3.978 20 30 FHEDMO C[C@H](C#N)Oc1ccc(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 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CCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(C#N)cc1 ZINC000177030165 941094780 /nfs/dbraw/zinc/09/47/80/941094780.db2.gz ICLCJSPJHGCPTC-UHFFFAOYSA-N 1 1 366.490 3.959 20 30 FHEDMO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000177908061 941153914 /nfs/dbraw/zinc/15/39/14/941153914.db2.gz LOGDINZHVWFKTK-CQSZACIVSA-N 1 1 372.469 3.793 20 30 FHEDMO COc1ccc(C[NH2+][C@H](C)c2nc(-c3ccc(C#N)cc3)cs2)cn1 ZINC000376841778 941448222 /nfs/dbraw/zinc/44/82/22/941448222.db2.gz JPRYMRJNUZSCKH-CYBMUJFWSA-N 1 1 350.447 3.936 20 30 FHEDMO CC(C)(CCC#N)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000376993359 941489003 /nfs/dbraw/zinc/48/90/03/941489003.db2.gz LMCDNSRWGDCISF-UXHICEINSA-N 1 1 368.525 3.765 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000549136828 941509419 /nfs/dbraw/zinc/50/94/19/941509419.db2.gz DWXTWQZWSQNSLA-AWEZNQCLSA-N 1 1 360.383 3.855 20 30 FHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CC)C2CCC(C(=O)OCC)CC2)c1C ZINC000549178383 941597616 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FHEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000513396349 941890247 /nfs/dbraw/zinc/89/02/47/941890247.db2.gz DFFIUOIHFFDRKH-LJQANCHMSA-N 1 1 367.880 3.535 20 30 FHEDMO Cc1ccc(C#N)cc1NC(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000365655956 941903687 /nfs/dbraw/zinc/90/36/87/941903687.db2.gz FVNSBVJLKWWZNS-QKNQBKEWSA-N 1 1 360.461 3.633 20 30 FHEDMO CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000513456087 941933792 /nfs/dbraw/zinc/93/37/92/941933792.db2.gz OUBMSSLDHHNFFM-QFIPXVFZSA-N 1 1 361.489 3.806 20 30 FHEDMO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCN(C2CC2)C1 ZINC000513456087 941933797 /nfs/dbraw/zinc/93/37/97/941933797.db2.gz OUBMSSLDHHNFFM-QFIPXVFZSA-N 1 1 361.489 3.806 20 30 FHEDMO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCN(C2CC2)C1 ZINC000513456087 941933799 /nfs/dbraw/zinc/93/37/99/941933799.db2.gz OUBMSSLDHHNFFM-QFIPXVFZSA-N 1 1 361.489 3.806 20 30 FHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000728711412 941964652 /nfs/dbraw/zinc/96/46/52/941964652.db2.gz CILDQLXZPXRDQX-QGZVFWFLSA-N 1 1 372.472 3.942 20 30 FHEDMO C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1)c1cccc(C#N)c1 ZINC000893078599 941992316 /nfs/dbraw/zinc/99/23/16/941992316.db2.gz ULBZRRSANYMPID-CYBMUJFWSA-N 1 1 353.426 3.546 20 30 FHEDMO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000472888424 942040555 /nfs/dbraw/zinc/04/05/55/942040555.db2.gz ULCCOBQEWPAZSM-RTWAWAEBSA-N 1 1 359.473 3.835 20 30 FHEDMO C[N@H+]1CC[C@@H](CNc2ccc(Br)cc2C#N)[C@@H]1c1cccnc1 ZINC000377993027 942135725 /nfs/dbraw/zinc/13/57/25/942135725.db2.gz RPGJLWCRUQZNLX-KSSFIOAISA-N 1 1 371.282 3.821 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280737646 942242103 /nfs/dbraw/zinc/24/21/03/942242103.db2.gz WMKOHQQNAIZCNZ-CRAIPNDOSA-N 1 1 351.450 3.585 20 30 FHEDMO C[N@@H+](Cc1ccccc1CNC(=O)NCC1(C#N)CCC1)C1CCCCC1 ZINC000419428768 942255440 /nfs/dbraw/zinc/25/54/40/942255440.db2.gz RMXOYLPSVCEJIN-UHFFFAOYSA-N 1 1 368.525 3.944 20 30 FHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC(C)(C)CCC#N ZINC000502175128 942264508 /nfs/dbraw/zinc/26/45/08/942264508.db2.gz QOOWCFMFBRCSHE-LJQANCHMSA-N 1 1 358.530 3.772 20 30 FHEDMO CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000502210262 942284178 /nfs/dbraw/zinc/28/41/78/942284178.db2.gz BDMVCXSLDORULG-UHFFFAOYSA-N 1 1 361.489 3.916 20 30 FHEDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000421015881 942306861 /nfs/dbraw/zinc/30/68/61/942306861.db2.gz IMAJYHKZHMYOOB-FQEVSTJZSA-N 1 1 368.502 3.600 20 30 FHEDMO C=CCOc1ccc(C[N@@H+]2CCc3c(ccc(OC)c3OC)C2)cc1OC ZINC000501121438 942319894 /nfs/dbraw/zinc/31/98/94/942319894.db2.gz MIFCDFFIGKWCGD-UHFFFAOYSA-N 1 1 369.461 3.836 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CCc3c(ccc(OC)c3OC)C2)cc1OC ZINC000501121438 942319896 /nfs/dbraw/zinc/31/98/96/942319896.db2.gz MIFCDFFIGKWCGD-UHFFFAOYSA-N 1 1 369.461 3.836 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(=Cc2cccc(OC)c2)CC1 ZINC000472944090 942421081 /nfs/dbraw/zinc/42/10/81/942421081.db2.gz QSVILPRFKHIRQQ-GOSISDBHSA-N 1 1 354.494 3.764 20 30 FHEDMO CN1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H]2CCC[C@H]21 ZINC000513713346 942442687 /nfs/dbraw/zinc/44/26/87/942442687.db2.gz NSVZELGWDFDNNJ-PTAFHAGTSA-N 1 1 353.510 3.711 20 30 FHEDMO COc1ccc2oc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)cc2c1 ZINC000505290871 942449934 /nfs/dbraw/zinc/44/99/34/942449934.db2.gz SRDBRFODYNPVJN-OAQYLSRUSA-N 1 1 361.445 3.824 20 30 FHEDMO N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000505302150 942457377 /nfs/dbraw/zinc/45/73/77/942457377.db2.gz REGFVJPIIZOXBB-QGZVFWFLSA-N 1 1 353.853 3.606 20 30 FHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000502467724 942466758 /nfs/dbraw/zinc/46/67/58/942466758.db2.gz XLLLRIADFVDQJF-INIZCTEOSA-N 1 1 353.422 3.918 20 30 FHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000502467724 942466760 /nfs/dbraw/zinc/46/67/60/942466760.db2.gz XLLLRIADFVDQJF-INIZCTEOSA-N 1 1 353.422 3.918 20 30 FHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000502469169 942467521 /nfs/dbraw/zinc/46/75/21/942467521.db2.gz ROHHFKKJEJTVEE-YLJYHZDGSA-N 1 1 350.462 3.703 20 30 FHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000502469169 942467525 /nfs/dbraw/zinc/46/75/25/942467525.db2.gz ROHHFKKJEJTVEE-YLJYHZDGSA-N 1 1 350.462 3.703 20 30 FHEDMO N#Cc1ccc(C2=CC[N@H+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000502530427 942503761 /nfs/dbraw/zinc/50/37/61/942503761.db2.gz RNTNYYOLWPZFJW-JOCHJYFZSA-N 1 1 357.457 3.667 20 30 FHEDMO N#Cc1ccc(C2=CC[N@@H+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000502530427 942503767 /nfs/dbraw/zinc/50/37/67/942503767.db2.gz RNTNYYOLWPZFJW-JOCHJYFZSA-N 1 1 357.457 3.667 20 30 FHEDMO N#Cc1ccc(C2=CC[N@H+](CC(=O)NC3(c4ccccc4)CCC3)CC2)cc1 ZINC000502542884 942521191 /nfs/dbraw/zinc/52/11/91/942521191.db2.gz GCXWGTRCMXGSGK-UHFFFAOYSA-N 1 1 371.484 3.843 20 30 FHEDMO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NC3(c4ccccc4)CCC3)CC2)cc1 ZINC000502542884 942521194 /nfs/dbraw/zinc/52/11/94/942521194.db2.gz GCXWGTRCMXGSGK-UHFFFAOYSA-N 1 1 371.484 3.843 20 30 FHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CC(OC(C)(C)C)C1 ZINC000421378383 942527891 /nfs/dbraw/zinc/52/78/91/942527891.db2.gz VBEZQYPIACVRQN-UHFFFAOYSA-N 1 1 367.497 3.637 20 30 FHEDMO C[C@@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc(C#N)cc1 ZINC000541255596 942531500 /nfs/dbraw/zinc/53/15/00/942531500.db2.gz YFTTZNSPMKJCMZ-GFCCVEGCSA-N 1 1 355.804 3.782 20 30 FHEDMO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000502568514 942547695 /nfs/dbraw/zinc/54/76/95/942547695.db2.gz INLZEYKVYGOUBW-SFHVURJKSA-N 1 1 369.440 3.573 20 30 FHEDMO COc1cccc(Cl)c1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000513882567 942574239 /nfs/dbraw/zinc/57/42/39/942574239.db2.gz LEIRZYNDLPXIBD-UHFFFAOYSA-N 1 1 355.869 3.538 20 30 FHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000502639110 942605496 /nfs/dbraw/zinc/60/54/96/942605496.db2.gz XWWAGQNIQZSGRZ-KRWDZBQOSA-N 1 1 358.486 3.731 20 30 FHEDMO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)c1C#N ZINC000544107594 942612842 /nfs/dbraw/zinc/61/28/42/942612842.db2.gz BDMDZTKWHPOXNV-VFNWGFHPSA-N 1 1 364.445 3.937 20 30 FHEDMO COC(=O)c1cccc(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)c1C#N ZINC000544107594 942612844 /nfs/dbraw/zinc/61/28/44/942612844.db2.gz BDMDZTKWHPOXNV-VFNWGFHPSA-N 1 1 364.445 3.937 20 30 FHEDMO COC(=O)c1ccc(Br)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000513970497 942635240 /nfs/dbraw/zinc/63/52/40/942635240.db2.gz QZUYMFKLPYJDGQ-UHFFFAOYSA-N 1 1 373.250 3.739 20 30 FHEDMO COC(=O)c1ccc(Br)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000513970497 942635243 /nfs/dbraw/zinc/63/52/43/942635243.db2.gz QZUYMFKLPYJDGQ-UHFFFAOYSA-N 1 1 373.250 3.739 20 30 FHEDMO N#Cc1ccc(OC2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000513751083 942654590 /nfs/dbraw/zinc/65/45/90/942654590.db2.gz WHIQRTCBJYRYMZ-UHFFFAOYSA-N 1 1 358.445 3.992 20 30 FHEDMO Cc1ccc2c(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc(O)c2n1 ZINC000514108425 942751742 /nfs/dbraw/zinc/75/17/42/942751742.db2.gz ZCCNMLZEPMMENW-NRFANRHFSA-N 1 1 359.429 3.694 20 30 FHEDMO Cc1ccc2c(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc(O)c2n1 ZINC000514108425 942751744 /nfs/dbraw/zinc/75/17/44/942751744.db2.gz ZCCNMLZEPMMENW-NRFANRHFSA-N 1 1 359.429 3.694 20 30 FHEDMO C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000502857053 942801610 /nfs/dbraw/zinc/80/16/10/942801610.db2.gz CGUPEWMUMOOQQE-FGTMMUONSA-N 1 1 356.514 3.677 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1Cl ZINC000414552942 942828923 /nfs/dbraw/zinc/82/89/23/942828923.db2.gz QXVSKCPTADLTIR-QGZVFWFLSA-N 1 1 362.901 3.882 20 30 FHEDMO Cc1cc(C)c(C#N)c(SCc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000421823126 942832922 /nfs/dbraw/zinc/83/29/22/942832922.db2.gz YSVZOSWBVCBBGZ-UHFFFAOYSA-N 1 1 353.491 3.695 20 30 FHEDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000190190676 942849816 /nfs/dbraw/zinc/84/98/16/942849816.db2.gz SRTGGAQDFAJYGB-HNNXBMFYSA-N 1 1 353.388 3.797 20 30 FHEDMO CC1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000434681094 942850474 /nfs/dbraw/zinc/85/04/74/942850474.db2.gz ZFBPCTQUVBRTFG-UHFFFAOYSA-N 1 1 365.930 3.804 20 30 FHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCSC(C)(C)CC1 ZINC000434671980 942857359 /nfs/dbraw/zinc/85/73/59/942857359.db2.gz KZFNHRHJPQUXJU-KOHRHEQBSA-N 1 1 351.560 3.523 20 30 FHEDMO C[N@H+]1CC[C@@]2(CCN(Cc3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000430120143 942917408 /nfs/dbraw/zinc/91/74/08/942917408.db2.gz LPHVFRTWIPQHRU-HSZRJFAPSA-N 1 1 361.489 3.665 20 30 FHEDMO COc1ccc(C[N@H+](Cc2ccnc(OC(C)C)c2)C2CC2)cc1C#N ZINC000503047721 942938735 /nfs/dbraw/zinc/93/87/35/942938735.db2.gz OYRJENPFXITOHT-UHFFFAOYSA-N 1 1 351.450 3.914 20 30 FHEDMO COc1ccc(C[N@@H+](Cc2ccnc(OC(C)C)c2)C2CC2)cc1C#N ZINC000503047721 942938740 /nfs/dbraw/zinc/93/87/40/942938740.db2.gz OYRJENPFXITOHT-UHFFFAOYSA-N 1 1 351.450 3.914 20 30 FHEDMO CCn1nccc1C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000434747736 942939104 /nfs/dbraw/zinc/93/91/04/942939104.db2.gz MXPWFBILJSEIMS-UHFFFAOYSA-N 1 1 360.408 3.756 20 30 FHEDMO CCc1ccc([C@H]2CN(C(=O)C[C@H](CC#N)c3ccccc3)CC[NH2+]2)cc1 ZINC000505508448 942949717 /nfs/dbraw/zinc/94/97/17/942949717.db2.gz VXRCTSJPUMJJKI-FCHUYYIVSA-N 1 1 361.489 3.809 20 30 FHEDMO CC(C)CC(=O)N1CCC(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000367119476 943015906 /nfs/dbraw/zinc/01/59/06/943015906.db2.gz BAUONUAZUMLILO-UHFFFAOYSA-N 1 1 365.521 3.932 20 30 FHEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000416692596 943036826 /nfs/dbraw/zinc/03/68/26/943036826.db2.gz TZXWMBXDZBXGSM-UTKZUKDTSA-N 1 1 368.525 3.747 20 30 FHEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000503262781 943091783 /nfs/dbraw/zinc/09/17/83/943091783.db2.gz YEGCMUUCKUKXRS-NRFANRHFSA-N 1 1 361.489 3.940 20 30 FHEDMO CC[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000435038517 943105971 /nfs/dbraw/zinc/10/59/71/943105971.db2.gz SNRIAMKCSMASPQ-QFIPXVFZSA-N 1 1 373.500 3.543 20 30 FHEDMO CC[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000435038516 943106242 /nfs/dbraw/zinc/10/62/42/943106242.db2.gz SNRIAMKCSMASPQ-JOCHJYFZSA-N 1 1 373.500 3.543 20 30 FHEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1=O ZINC000435048936 943120268 /nfs/dbraw/zinc/12/02/68/943120268.db2.gz KXOMXFFDXIRKJE-RDJZCZTQSA-N 1 1 371.893 3.868 20 30 FHEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1=O ZINC000435048936 943120272 /nfs/dbraw/zinc/12/02/72/943120272.db2.gz KXOMXFFDXIRKJE-RDJZCZTQSA-N 1 1 371.893 3.868 20 30 FHEDMO N#Cc1ncc(C(F)(F)F)cc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425270552 943131934 /nfs/dbraw/zinc/13/19/34/943131934.db2.gz AHUVTDJDTBREFH-HNAYVOBHSA-N 1 1 372.394 3.683 20 30 FHEDMO N#Cc1cc([N+](=O)[O-])cnc1S[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000425274994 943161665 /nfs/dbraw/zinc/16/16/65/943161665.db2.gz BFLCNZWQDHAPAL-QGZVFWFLSA-N 1 1 354.435 3.618 20 30 FHEDMO CC1(C#N)CCN(Cc2ccccc2C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000272527076 943171589 /nfs/dbraw/zinc/17/15/89/943171589.db2.gz HYNGAMFGTJKOCW-UHFFFAOYSA-N 1 1 350.510 3.938 20 30 FHEDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCC(F)(F)F ZINC000329835996 943176475 /nfs/dbraw/zinc/17/64/75/943176475.db2.gz LOZDQZIBNORFHL-CABCVRRESA-N 1 1 371.403 3.889 20 30 FHEDMO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CCCCO1 ZINC000435138071 943190596 /nfs/dbraw/zinc/19/05/96/943190596.db2.gz PUIZRRZRHJFSHD-HXUWFJFHSA-N 1 1 367.497 3.640 20 30 FHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(c(Br)c1)OCO2 ZINC000513789215 943190699 /nfs/dbraw/zinc/19/06/99/943190699.db2.gz DQFFNEVVUWVWGX-UHFFFAOYSA-N 1 1 359.223 3.681 20 30 FHEDMO C[N@H+]1CC[C@]2(CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000430127108 943221956 /nfs/dbraw/zinc/22/19/56/943221956.db2.gz OPQWZRSUXKDROU-QHCPKHFHSA-N 1 1 361.489 3.665 20 30 FHEDMO N#Cc1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]3OCc3ccccc3)o2)cc1 ZINC000503523688 943233564 /nfs/dbraw/zinc/23/35/64/943233564.db2.gz QZAALZVDFZFLIB-WOJBJXKFSA-N 1 1 374.444 3.836 20 30 FHEDMO C=CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543866005 943276168 /nfs/dbraw/zinc/27/61/68/943276168.db2.gz XYLXTBBUKIOZPL-HZPDHXFCSA-N 1 1 353.869 3.878 20 30 FHEDMO C=CCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543866005 943276172 /nfs/dbraw/zinc/27/61/72/943276172.db2.gz XYLXTBBUKIOZPL-HZPDHXFCSA-N 1 1 353.869 3.878 20 30 FHEDMO C[NH+](C)[C@H](CNC(=O)c1cc(C#N)ccc1Cl)c1ccccc1Cl ZINC000503696909 943338295 /nfs/dbraw/zinc/33/82/95/943338295.db2.gz LRWJYRHGSKSEHD-QGZVFWFLSA-N 1 1 362.260 3.898 20 30 FHEDMO CC(C)[N@H+](C)CC1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000582101869 943369834 /nfs/dbraw/zinc/36/98/34/943369834.db2.gz JRWVTAYOFMYAFT-UHFFFAOYSA-N 1 1 368.443 3.989 20 30 FHEDMO CC(C)[N@@H+](C)CC1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000582101869 943369841 /nfs/dbraw/zinc/36/98/41/943369841.db2.gz JRWVTAYOFMYAFT-UHFFFAOYSA-N 1 1 368.443 3.989 20 30 FHEDMO CC[N@@H+](C)[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000503899157 943398536 /nfs/dbraw/zinc/39/85/36/943398536.db2.gz WWDSHWANTTXCFM-JOCHJYFZSA-N 1 1 359.473 3.867 20 30 FHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431930549 943449247 /nfs/dbraw/zinc/44/92/47/943449247.db2.gz HMQRPICISWCFHU-UXHICEINSA-N 1 1 356.514 3.985 20 30 FHEDMO CC(C)Oc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000435536704 943473122 /nfs/dbraw/zinc/47/31/22/943473122.db2.gz LOLYOBXJKWQDKD-QGZVFWFLSA-N 1 1 372.513 3.979 20 30 FHEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](c3cccnc3)C2)c2ccccc21 ZINC000584717731 943479929 /nfs/dbraw/zinc/47/99/29/943479929.db2.gz VILLWXDBVLYNDU-GOSISDBHSA-N 1 1 358.445 3.622 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000425396071 943524074 /nfs/dbraw/zinc/52/40/74/943524074.db2.gz JKATZZHKDXHDOS-QGZVFWFLSA-N 1 1 356.514 3.915 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000435696794 943562424 /nfs/dbraw/zinc/56/24/24/943562424.db2.gz LNSHGCZSBKJOAM-QGZVFWFLSA-N 1 1 371.868 3.898 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000435696794 943562427 /nfs/dbraw/zinc/56/24/27/943562427.db2.gz LNSHGCZSBKJOAM-QGZVFWFLSA-N 1 1 371.868 3.898 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000435696793 943562449 /nfs/dbraw/zinc/56/24/49/943562449.db2.gz LNSHGCZSBKJOAM-KRWDZBQOSA-N 1 1 371.868 3.898 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000435696793 943562453 /nfs/dbraw/zinc/56/24/53/943562453.db2.gz LNSHGCZSBKJOAM-KRWDZBQOSA-N 1 1 371.868 3.898 20 30 FHEDMO C=C(C(=O)N1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1)C(F)(F)F ZINC001270008108 943596658 /nfs/dbraw/zinc/59/66/58/943596658.db2.gz KXJFYGSZUYOKQF-CQSZACIVSA-N 1 1 372.353 3.762 20 30 FHEDMO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1 ZINC000504538777 943662025 /nfs/dbraw/zinc/66/20/25/943662025.db2.gz NIUFJUYMTCBVRR-WMLDXEAASA-N 1 1 367.449 3.593 20 30 FHEDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1 ZINC000504538777 943662029 /nfs/dbraw/zinc/66/20/29/943662029.db2.gz NIUFJUYMTCBVRR-WMLDXEAASA-N 1 1 367.449 3.593 20 30 FHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCSC[C@H](C)C2)c1C#N ZINC000584815842 943669321 /nfs/dbraw/zinc/66/93/21/943669321.db2.gz GBCVDUUJJWNMNN-CQSZACIVSA-N 1 1 374.554 3.715 20 30 FHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCSC[C@H](C)C2)c1C#N ZINC000584815842 943669324 /nfs/dbraw/zinc/66/93/24/943669324.db2.gz GBCVDUUJJWNMNN-CQSZACIVSA-N 1 1 374.554 3.715 20 30 FHEDMO C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424223729 943793443 /nfs/dbraw/zinc/79/34/43/943793443.db2.gz QLSFALJAYRCZMY-VQTJNVASSA-N 1 1 365.525 3.688 20 30 FHEDMO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000437423715 943795145 /nfs/dbraw/zinc/79/51/45/943795145.db2.gz GSQDBZBQMRRAIG-UHFFFAOYSA-N 1 1 360.360 3.578 20 30 FHEDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000437423715 943795151 /nfs/dbraw/zinc/79/51/51/943795151.db2.gz GSQDBZBQMRRAIG-UHFFFAOYSA-N 1 1 360.360 3.578 20 30 FHEDMO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@H+]1CCC[C@H](C)C1 ZINC000435881701 943815662 /nfs/dbraw/zinc/81/56/62/943815662.db2.gz BNNYSKWFCMFJKN-ZWKOTPCHSA-N 1 1 366.509 3.795 20 30 FHEDMO Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000894334792 943816731 /nfs/dbraw/zinc/81/67/31/943816731.db2.gz GZWDVLOPTCOCGE-KRWDZBQOSA-N 1 1 363.461 3.821 20 30 FHEDMO C=CCn1cc(C[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)nn1 ZINC000424295443 943824134 /nfs/dbraw/zinc/82/41/34/943824134.db2.gz MTAZTSKIQOLAID-INIZCTEOSA-N 1 1 361.287 3.739 20 30 FHEDMO C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000504850586 943843128 /nfs/dbraw/zinc/84/31/28/943843128.db2.gz CWSXIMHKTJDMMY-UHFFFAOYSA-N 1 1 369.468 3.896 20 30 FHEDMO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000504850586 943843133 /nfs/dbraw/zinc/84/31/33/943843133.db2.gz CWSXIMHKTJDMMY-UHFFFAOYSA-N 1 1 369.468 3.896 20 30 FHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1Cl ZINC000437504571 943868128 /nfs/dbraw/zinc/86/81/28/943868128.db2.gz MBPGRSPBRWONCH-IRXDYDNUSA-N 1 1 363.914 3.900 20 30 FHEDMO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)co2)cc1 ZINC000517006727 943904475 /nfs/dbraw/zinc/90/44/75/943904475.db2.gz WLXIQPANUJAMSM-LJQANCHMSA-N 1 1 360.417 3.570 20 30 FHEDMO Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)co2)cc1 ZINC000517006727 943904481 /nfs/dbraw/zinc/90/44/81/943904481.db2.gz WLXIQPANUJAMSM-LJQANCHMSA-N 1 1 360.417 3.570 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000425452646 943975849 /nfs/dbraw/zinc/97/58/49/943975849.db2.gz ZXBHDMNWKFSQDN-JXFKEZNVSA-N 1 1 354.498 3.525 20 30 FHEDMO Cc1cccc2c(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)coc21 ZINC000424565136 943982662 /nfs/dbraw/zinc/98/26/62/943982662.db2.gz OYTZXGVCDMMGTM-UHFFFAOYSA-N 1 1 373.456 3.961 20 30 FHEDMO Cc1cccc2c(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)coc21 ZINC000424565136 943982669 /nfs/dbraw/zinc/98/26/69/943982669.db2.gz OYTZXGVCDMMGTM-UHFFFAOYSA-N 1 1 373.456 3.961 20 30 FHEDMO Cc1ccc(OC(F)F)c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000506101905 944022886 /nfs/dbraw/zinc/02/28/86/944022886.db2.gz UVLHZOQDCUONLV-UHFFFAOYSA-N 1 1 371.431 3.786 20 30 FHEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000424678139 944058047 /nfs/dbraw/zinc/05/80/47/944058047.db2.gz BHQLGZVYAGFTLN-FUHWJXTLSA-N 1 1 362.539 3.620 20 30 FHEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000424744422 944084824 /nfs/dbraw/zinc/08/48/24/944084824.db2.gz IWXJOUVBVAGPKA-ZWKOTPCHSA-N 1 1 362.901 3.574 20 30 FHEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000424744422 944084829 /nfs/dbraw/zinc/08/48/29/944084829.db2.gz IWXJOUVBVAGPKA-ZWKOTPCHSA-N 1 1 362.901 3.574 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c(C(F)(F)F)c1 ZINC000517207412 944106738 /nfs/dbraw/zinc/10/67/38/944106738.db2.gz NHSWOLYSCCDLPL-UHFFFAOYSA-N 1 1 366.412 3.746 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCCN(c3nccs3)CC2)c(C(F)(F)F)c1 ZINC000517207412 944106742 /nfs/dbraw/zinc/10/67/42/944106742.db2.gz NHSWOLYSCCDLPL-UHFFFAOYSA-N 1 1 366.412 3.746 20 30 FHEDMO C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000506138948 944127989 /nfs/dbraw/zinc/12/79/89/944127989.db2.gz YDDSVQYZWAOEJY-UHFFFAOYSA-N 1 1 369.468 3.896 20 30 FHEDMO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000506138948 944127995 /nfs/dbraw/zinc/12/79/95/944127995.db2.gz YDDSVQYZWAOEJY-UHFFFAOYSA-N 1 1 369.468 3.896 20 30 FHEDMO C=CCC1(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424821861 944140522 /nfs/dbraw/zinc/14/05/22/944140522.db2.gz AZJTYLYUNDVLGH-OAQYLSRUSA-N 1 1 370.537 3.778 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC=C(C)C2)c1C#N ZINC000436266197 944141511 /nfs/dbraw/zinc/14/15/11/944141511.db2.gz NNUXPQFBKYFXAL-UHFFFAOYSA-N 1 1 366.465 3.599 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)nc1 ZINC000517272300 944160055 /nfs/dbraw/zinc/16/00/55/944160055.db2.gz YQZDJMDAKBAUPJ-QGZVFWFLSA-N 1 1 362.458 3.730 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)nc1 ZINC000517272300 944160062 /nfs/dbraw/zinc/16/00/62/944160062.db2.gz YQZDJMDAKBAUPJ-QGZVFWFLSA-N 1 1 362.458 3.730 20 30 FHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000517316924 944206133 /nfs/dbraw/zinc/20/61/33/944206133.db2.gz SSUZXCBBQBESDX-FQEVSTJZSA-N 1 1 369.472 3.807 20 30 FHEDMO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425530326 944251318 /nfs/dbraw/zinc/25/13/18/944251318.db2.gz DWNJSZKKYUYFBF-KRWDZBQOSA-N 1 1 356.491 3.724 20 30 FHEDMO Cc1ccc(S(=O)(=O)CCC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425530326 944251328 /nfs/dbraw/zinc/25/13/28/944251328.db2.gz DWNJSZKKYUYFBF-KRWDZBQOSA-N 1 1 356.491 3.724 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)[C@H](C)C1 ZINC000120592593 944258956 /nfs/dbraw/zinc/25/89/56/944258956.db2.gz ZVABNSTYTDIDPR-CRAIPNDOSA-N 1 1 358.486 3.539 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000425533889 944260530 /nfs/dbraw/zinc/26/05/30/944260530.db2.gz FNKMIDJGYKMBKU-CYBMUJFWSA-N 1 1 361.898 3.925 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000425533889 944260539 /nfs/dbraw/zinc/26/05/39/944260539.db2.gz FNKMIDJGYKMBKU-CYBMUJFWSA-N 1 1 361.898 3.925 20 30 FHEDMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425538617 944271420 /nfs/dbraw/zinc/27/14/20/944271420.db2.gz SJBMNOMFTMERMN-HZPDHXFCSA-N 1 1 353.441 3.910 20 30 FHEDMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425538617 944271430 /nfs/dbraw/zinc/27/14/30/944271430.db2.gz SJBMNOMFTMERMN-HZPDHXFCSA-N 1 1 353.441 3.910 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000425536494 944283628 /nfs/dbraw/zinc/28/36/28/944283628.db2.gz ORZSNPDJNRTWCU-INIZCTEOSA-N 1 1 361.445 3.627 20 30 FHEDMO C=CCn1c(=S)n(C[NH+]2C[C@@H]3CCCC[C@H]3C2)nc1-c1ccccn1 ZINC000162614595 944323983 /nfs/dbraw/zinc/32/39/83/944323983.db2.gz NMMSWTRHYVUNMD-HOTGVXAUSA-N 1 1 355.511 3.742 20 30 FHEDMO C=CCn1c(CC)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000518400404 944339494 /nfs/dbraw/zinc/33/94/94/944339494.db2.gz YIMVXCUMEAWTJF-OAHLLOKOSA-N 1 1 359.905 3.563 20 30 FHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1C ZINC000123426665 944360268 /nfs/dbraw/zinc/36/02/68/944360268.db2.gz UOXXSGUQQBKYSQ-UHFFFAOYSA-N 1 1 354.450 3.533 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=S)Nc3ccc(F)cc3)CC2)cc1 ZINC000017517640 944479519 /nfs/dbraw/zinc/47/95/19/944479519.db2.gz BUHVEEMJTXOTQJ-UHFFFAOYSA-N 1 1 368.481 3.602 20 30 FHEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000120703797 944492461 /nfs/dbraw/zinc/49/24/61/944492461.db2.gz UURABUJBBKQTRA-SFHVURJKSA-N 1 1 357.816 3.588 20 30 FHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000120703797 944492463 /nfs/dbraw/zinc/49/24/63/944492463.db2.gz UURABUJBBKQTRA-SFHVURJKSA-N 1 1 357.816 3.588 20 30 FHEDMO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000439314502 944520756 /nfs/dbraw/zinc/52/07/56/944520756.db2.gz HHQZAZIHVSSYQN-KSSFIOAISA-N 1 1 351.450 3.975 20 30 FHEDMO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000439314502 944520761 /nfs/dbraw/zinc/52/07/61/944520761.db2.gz HHQZAZIHVSSYQN-KSSFIOAISA-N 1 1 351.450 3.975 20 30 FHEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000439326388 944538883 /nfs/dbraw/zinc/53/88/83/944538883.db2.gz SSCFKNFUIYLPRF-PXNSSMCTSA-N 1 1 368.502 3.600 20 30 FHEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000439326388 944538889 /nfs/dbraw/zinc/53/88/89/944538889.db2.gz SSCFKNFUIYLPRF-PXNSSMCTSA-N 1 1 368.502 3.600 20 30 FHEDMO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)c1cccc(OC)c1 ZINC000516198724 944570841 /nfs/dbraw/zinc/57/08/41/944570841.db2.gz YNMHQUKEGKUTBL-QGZVFWFLSA-N 1 1 357.498 3.763 20 30 FHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCOc1ccccc1Cl ZINC000015103440 944595632 /nfs/dbraw/zinc/59/56/32/944595632.db2.gz CIIWPPIPNDUGRF-CQSZACIVSA-N 1 1 357.841 3.549 20 30 FHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1Cl ZINC000015103440 944595633 /nfs/dbraw/zinc/59/56/33/944595633.db2.gz CIIWPPIPNDUGRF-CQSZACIVSA-N 1 1 357.841 3.549 20 30 FHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c1 ZINC000426383912 944610073 /nfs/dbraw/zinc/61/00/73/944610073.db2.gz DAPPSNLPGJRTRH-UHFFFAOYSA-N 1 1 371.440 3.796 20 30 FHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000426016096 944622406 /nfs/dbraw/zinc/62/24/06/944622406.db2.gz HSSAHQAMGRATBC-JYRKZWEQSA-N 1 1 355.526 3.893 20 30 FHEDMO Cc1[nH+]ccn1CCCCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431977408 944625163 /nfs/dbraw/zinc/62/51/63/944625163.db2.gz MIOOKDJLLFBMAP-LJQANCHMSA-N 1 1 353.470 3.706 20 30 FHEDMO C=CCn1c(C2CC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517784439 944625662 /nfs/dbraw/zinc/62/56/62/944625662.db2.gz OMOCHRPZRHDHAX-PXNSSMCTSA-N 1 1 365.525 3.831 20 30 FHEDMO C=CCn1c(C2CC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517784440 944625856 /nfs/dbraw/zinc/62/58/56/944625856.db2.gz OMOCHRPZRHDHAX-XLIONFOSSA-N 1 1 365.525 3.831 20 30 FHEDMO C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000518735274 944687944 /nfs/dbraw/zinc/68/79/44/944687944.db2.gz FUZDVVCQQWPMQT-NQIIRXRSSA-N 1 1 353.510 3.809 20 30 FHEDMO N#Cc1cccc(N2CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)n1 ZINC000545550965 944697586 /nfs/dbraw/zinc/69/75/86/944697586.db2.gz KQKHWPKFTYFWKX-UHFFFAOYSA-N 1 1 362.408 3.675 20 30 FHEDMO N#Cc1cccnc1N1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000506938443 944782612 /nfs/dbraw/zinc/78/26/12/944782612.db2.gz VLZWRIGTALQVRE-UHFFFAOYSA-N 1 1 372.472 3.698 20 30 FHEDMO C=C(C)[C@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000188172337 944805095 /nfs/dbraw/zinc/80/50/95/944805095.db2.gz ZIAIIZPLUKMQPM-AEFFLSMTSA-N 1 1 363.408 3.777 20 30 FHEDMO 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UNKLSDOCDDGXMX-JTHBVZDNSA-N 1 1 373.500 3.861 20 30 FHEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000661381484 946049650 /nfs/dbraw/zinc/04/96/50/946049650.db2.gz LZFNYXIRCRFRND-CYBMUJFWSA-N 1 1 352.862 3.584 20 30 FHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000661381484 946049664 /nfs/dbraw/zinc/04/96/64/946049664.db2.gz LZFNYXIRCRFRND-CYBMUJFWSA-N 1 1 352.862 3.584 20 30 FHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)C1 ZINC000661382178 946049889 /nfs/dbraw/zinc/04/98/89/946049889.db2.gz UBFIICRIABJQPY-HKUYNNGSSA-N 1 1 372.509 3.655 20 30 FHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000444234047 946098805 /nfs/dbraw/zinc/09/88/05/946098805.db2.gz CLVIWHJUSNQCSW-AWEZNQCLSA-N 1 1 371.868 3.722 20 30 FHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520132631 946162767 /nfs/dbraw/zinc/16/27/67/946162767.db2.gz KSGLRVRBYHOGGP-OTWHNJEPSA-N 1 1 368.525 3.622 20 30 FHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000522986557 946205550 /nfs/dbraw/zinc/20/55/50/946205550.db2.gz HXEFWRQRSZCROL-KRWDZBQOSA-N 1 1 350.503 3.531 20 30 FHEDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccn1 ZINC000181791896 946207529 /nfs/dbraw/zinc/20/75/29/946207529.db2.gz BKRFAEUFZJERSB-LSDHHAIUSA-N 1 1 354.479 3.623 20 30 FHEDMO C[N@H+](CC#Cc1ccccc1Cl)Cc1ccccc1N1CCOCC1 ZINC000441152296 946262376 /nfs/dbraw/zinc/26/23/76/946262376.db2.gz DBPFYOKYUPOSPM-UHFFFAOYSA-N 1 1 354.881 3.660 20 30 FHEDMO C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccc1N1CCOCC1 ZINC000441152296 946262385 /nfs/dbraw/zinc/26/23/85/946262385.db2.gz DBPFYOKYUPOSPM-UHFFFAOYSA-N 1 1 354.881 3.660 20 30 FHEDMO C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000520258246 946310915 /nfs/dbraw/zinc/31/09/15/946310915.db2.gz HNMXIJTYIZFIKX-QUCCMNQESA-N 1 1 371.573 3.898 20 30 FHEDMO Cc1ccc(-c2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)c(F)c2)cc1C ZINC000520246591 946317087 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FHEDMO CC[C@@]1(CO)CCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000475126575 946449123 /nfs/dbraw/zinc/44/91/23/946449123.db2.gz FVRFTXDQXKKCGB-QFIPXVFZSA-N 1 1 350.462 3.874 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000043266571 946451745 /nfs/dbraw/zinc/45/17/45/946451745.db2.gz LCDUOAMFBYAKJJ-UHFFFAOYSA-N 1 1 370.403 3.576 20 30 FHEDMO COc1ccc(C#N)cc1CNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000151905211 946452895 /nfs/dbraw/zinc/45/28/95/946452895.db2.gz NNDDRZVFIFXXQP-CALCHBBNSA-N 1 1 365.477 3.788 20 30 FHEDMO COc1ccc(C#N)cc1CNc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000151905211 946452907 /nfs/dbraw/zinc/45/29/07/946452907.db2.gz NNDDRZVFIFXXQP-CALCHBBNSA-N 1 1 365.477 3.788 20 30 FHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)NC1(C#N)CCCCC1 ZINC000441357175 946476123 /nfs/dbraw/zinc/47/61/23/946476123.db2.gz NKNJMPLKWUVXQM-FQEVSTJZSA-N 1 1 355.526 3.981 20 30 FHEDMO C=CC[N@@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C(C)(C)C ZINC000661756380 946583746 /nfs/dbraw/zinc/58/37/46/946583746.db2.gz MUVAZPWTFAARBV-UHFFFAOYSA-N 1 1 361.442 3.549 20 30 FHEDMO C=CC[N@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C(C)(C)C ZINC000661756380 946583756 /nfs/dbraw/zinc/58/37/56/946583756.db2.gz MUVAZPWTFAARBV-UHFFFAOYSA-N 1 1 361.442 3.549 20 30 FHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000523007362 946585857 /nfs/dbraw/zinc/58/58/57/946585857.db2.gz IYWOYYCGJWDKFS-HNAYVOBHSA-N 1 1 358.869 3.514 20 30 FHEDMO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C(C)(C)C ZINC000661755667 946591490 /nfs/dbraw/zinc/59/14/90/946591490.db2.gz OHAUQYCCKNZMQV-GOSISDBHSA-N 1 1 372.509 3.798 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000469898414 946604791 /nfs/dbraw/zinc/60/47/91/946604791.db2.gz PZAFFVUUOSTKOO-MRXNPFEDSA-N 1 1 351.429 3.593 20 30 FHEDMO C=CCn1c(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nnc1C(C)(C)C ZINC000508490931 946645128 /nfs/dbraw/zinc/64/51/28/946645128.db2.gz DWWZFGHTIFJNFF-HNNXBMFYSA-N 1 1 359.543 3.706 20 30 FHEDMO C[N@H+]1CCC[C@]2(CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C2)C1 ZINC000549572657 946704264 /nfs/dbraw/zinc/70/42/64/946704264.db2.gz SFMXPQSZBJNUJJ-FQEVSTJZSA-N 1 1 372.419 3.630 20 30 FHEDMO N#Cc1cccc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000020953603 946775282 /nfs/dbraw/zinc/77/52/82/946775282.db2.gz UAQJQJCGVYMFLM-UHFFFAOYSA-N 1 1 359.395 3.895 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000550391434 946900207 /nfs/dbraw/zinc/90/02/07/946900207.db2.gz SWMROONBAMSFNH-RDTXWAMCSA-N 1 1 369.852 3.692 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000550391434 946900216 /nfs/dbraw/zinc/90/02/16/946900216.db2.gz SWMROONBAMSFNH-RDTXWAMCSA-N 1 1 369.852 3.692 20 30 FHEDMO N#Cc1ccccc1OC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994482 946903027 /nfs/dbraw/zinc/90/30/27/946903027.db2.gz GDYRAFGBQVZQDK-WCRBZPEASA-N 1 1 365.521 3.807 20 30 FHEDMO N#Cc1ccccc1OC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994482 946903033 /nfs/dbraw/zinc/90/30/33/946903033.db2.gz GDYRAFGBQVZQDK-WCRBZPEASA-N 1 1 365.521 3.807 20 30 FHEDMO N#Cc1cccc(COc2cccc(C[NH2+][C@H](CCO)c3ccco3)c2)c1 ZINC000184499502 946906805 /nfs/dbraw/zinc/90/68/05/946906805.db2.gz HHWMJVXVXXDWCT-OAQYLSRUSA-N 1 1 362.429 3.944 20 30 FHEDMO C#CC[N@H+](CC[C@H]1CCOC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000783567455 946935099 /nfs/dbraw/zinc/93/50/99/946935099.db2.gz PKZJGZFRJVBXKG-YOEHRIQHSA-N 1 1 364.283 3.635 20 30 FHEDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000026168523 946937107 /nfs/dbraw/zinc/93/71/07/946937107.db2.gz DVTNEHQECIKNNF-ZDUSSCGKSA-N 1 1 369.490 3.576 20 30 FHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000026168523 946937113 /nfs/dbraw/zinc/93/71/13/946937113.db2.gz DVTNEHQECIKNNF-ZDUSSCGKSA-N 1 1 369.490 3.576 20 30 FHEDMO CC(C)[N@H+]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000523153264 946954872 /nfs/dbraw/zinc/95/48/72/946954872.db2.gz ZOVJHGSPEFIWKR-UHFFFAOYSA-N 1 1 362.477 3.858 20 30 FHEDMO O=C(CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1cc(F)cc(F)c1 ZINC000328637194 946961461 /nfs/dbraw/zinc/96/14/61/946961461.db2.gz ARMOFAFYWKKNRJ-AWEZNQCLSA-N 1 1 374.435 3.965 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@@H]3CCCCC(=O)N3)c2)CCO1 ZINC000328639505 946962526 /nfs/dbraw/zinc/96/25/26/946962526.db2.gz DQLZIGBEURFILT-APWZRJJASA-N 1 1 373.497 3.653 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3CCCCC(=O)N3)c2)CCO1 ZINC000328639505 946962530 /nfs/dbraw/zinc/96/25/30/946962530.db2.gz DQLZIGBEURFILT-APWZRJJASA-N 1 1 373.497 3.653 20 30 FHEDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCCOc2ccccc21 ZINC000328667458 946973826 /nfs/dbraw/zinc/97/38/26/946973826.db2.gz DNLDKECZMXLOSR-QUCCMNQESA-N 1 1 365.477 3.678 20 30 FHEDMO COc1c(Cl)cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000328674762 946976145 /nfs/dbraw/zinc/97/61/45/946976145.db2.gz KCNVTKOJNUTJKP-KBPBESRZSA-N 1 1 358.269 3.764 20 30 FHEDMO Cc1nc([C@@H]2CCCN(C([O-])=[NH+]C[C@H]3CCCn4cc[nH+]c43)C2)sc1C ZINC000328597745 946978005 /nfs/dbraw/zinc/97/80/05/946978005.db2.gz AMDMDNRMKOUKKJ-HZPDHXFCSA-N 1 1 373.526 3.627 20 30 FHEDMO Cc1[nH+]ccn1C[C@H]1CCCN1C([O-])=[NH+][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000328601537 946978870 /nfs/dbraw/zinc/97/88/70/946978870.db2.gz FQFWRHJJPUTXDI-FGTMMUONSA-N 1 1 358.873 3.779 20 30 FHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000475382693 946989862 /nfs/dbraw/zinc/98/98/62/946989862.db2.gz WGKCFOJBIRYLCD-JYRKZWEQSA-N 1 1 353.510 3.938 20 30 FHEDMO N#Cc1csc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000505903223 947003901 /nfs/dbraw/zinc/00/39/01/947003901.db2.gz NKUULZXCJFOOHD-UHFFFAOYSA-N 1 1 351.397 3.961 20 30 FHEDMO C=CC[N@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccccc1F ZINC000444570057 947010308 /nfs/dbraw/zinc/01/03/08/947010308.db2.gz GMMBUQNAGDRUHC-UHFFFAOYSA-N 1 1 352.453 3.789 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000328754198 947010841 /nfs/dbraw/zinc/01/08/41/947010841.db2.gz DRZPTOWACUUMLJ-QGZVFWFLSA-N 1 1 357.498 3.512 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000328765638 947018191 /nfs/dbraw/zinc/01/81/91/947018191.db2.gz GVGRFIJHILJMJD-PBHICJAKSA-N 1 1 363.889 3.666 20 30 FHEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000444593098 947019217 /nfs/dbraw/zinc/01/92/17/947019217.db2.gz QQMBZZSWBNKRHN-UHFFFAOYSA-N 1 1 355.526 3.828 20 30 FHEDMO C[C@H]1CCC[C@H](C)C1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000444595123 947020760 /nfs/dbraw/zinc/02/07/60/947020760.db2.gz JGKVNKKONRVLTM-ROUUACIJSA-N 1 1 368.525 3.600 20 30 FHEDMO Cn1cc(-c2ccccc2CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cn1 ZINC000328815928 947034818 /nfs/dbraw/zinc/03/48/18/947034818.db2.gz GSTZCMRGNUQNNT-HXUWFJFHSA-N 1 1 352.482 3.951 20 30 FHEDMO C=CCc1cc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc(OC)c1O ZINC000583665926 947036145 /nfs/dbraw/zinc/03/61/45/947036145.db2.gz UJQZFOCHJNYIRF-HXUWFJFHSA-N 1 1 364.489 3.766 20 30 FHEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)NC(=O)CC1CCCCC1)CC2 ZINC000328823387 947039915 /nfs/dbraw/zinc/03/99/15/947039915.db2.gz RVWWMCWWSWSBJQ-QRQLOZEOSA-N 1 1 363.546 3.776 20 30 FHEDMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CC3(C)CCCCC3)cc2)CC1 ZINC000328785256 947046013 /nfs/dbraw/zinc/04/60/13/947046013.db2.gz IQMGWQUBFJRIND-UHFFFAOYSA-N 1 1 371.525 3.891 20 30 FHEDMO Cc1cc(N2CCC(NC(=O)c3coc(C4CCCC4)n3)CC2)nc(C)[nH+]1 ZINC000328790236 947047710 /nfs/dbraw/zinc/04/77/10/947047710.db2.gz LIBRSGGJPBBAOA-UHFFFAOYSA-N 1 1 369.469 3.713 20 30 FHEDMO Cn1cc[nH+]c1N1CCC(NC(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000328790629 947047932 /nfs/dbraw/zinc/04/79/32/947047932.db2.gz YWCJXDMOCTWYFR-UHFFFAOYSA-N 1 1 358.408 3.714 20 30 FHEDMO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000444636503 947048262 /nfs/dbraw/zinc/04/82/62/947048262.db2.gz DMVTXRPUQXVBQW-LJQANCHMSA-N 1 1 371.525 3.627 20 30 FHEDMO C[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000328827554 947074351 /nfs/dbraw/zinc/07/43/51/947074351.db2.gz TXCCSPQZBPTCHU-YJBOKZPZSA-N 1 1 355.482 3.533 20 30 FHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000598585931 947077267 /nfs/dbraw/zinc/07/72/67/947077267.db2.gz BVEHHQJPKKIOEH-INIZCTEOSA-N 1 1 351.288 3.714 20 30 FHEDMO CN(Cc1ccccc1)C(=O)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444639069 947079528 /nfs/dbraw/zinc/07/95/28/947079528.db2.gz MUBWMXNIUZLCMO-UHFFFAOYSA-N 1 1 356.514 3.576 20 30 FHEDMO Cc1noc(C)c1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000328938859 947093686 /nfs/dbraw/zinc/09/36/86/947093686.db2.gz RSOAOJILVYUPAF-UHFFFAOYSA-N 1 1 368.481 3.825 20 30 FHEDMO O=C(Nc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1)c1cccs1 ZINC000328918637 947108385 /nfs/dbraw/zinc/10/83/85/947108385.db2.gz LFMDTDFOELZEAO-SJORKVTESA-N 1 1 369.490 3.741 20 30 FHEDMO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508505320 947108609 /nfs/dbraw/zinc/10/86/09/947108609.db2.gz NCNZBOLWKFGBLI-HZPDHXFCSA-N 1 1 359.543 3.922 20 30 FHEDMO O[C@H]([C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)F ZINC000444722635 947164819 /nfs/dbraw/zinc/16/48/19/947164819.db2.gz ZMWMRCKGBWBUJL-DZGCQCFKSA-N 1 1 365.317 3.692 20 30 FHEDMO O[C@H]([C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)F ZINC000444722635 947164812 /nfs/dbraw/zinc/16/48/12/947164812.db2.gz ZMWMRCKGBWBUJL-DZGCQCFKSA-N 1 1 365.317 3.692 20 30 FHEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330452919 947174156 /nfs/dbraw/zinc/17/41/56/947174156.db2.gz LBGXXAFWKAOFPR-GFCCVEGCSA-N 1 1 354.838 3.695 20 30 FHEDMO C=CC[C@@H]1[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000444780504 947195079 /nfs/dbraw/zinc/19/50/79/947195079.db2.gz FMTOSXQEYISHOT-SFHVURJKSA-N 1 1 351.512 3.536 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000662078639 947212561 /nfs/dbraw/zinc/21/25/61/947212561.db2.gz INKUZYADXZYMEW-SOLBZPMBSA-N 1 1 365.433 3.733 20 30 FHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330603149 947223978 /nfs/dbraw/zinc/22/39/78/947223978.db2.gz HRRMVAHKPDMKQF-MMOPVJDHSA-N 1 1 357.498 3.523 20 30 FHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330603149 947223991 /nfs/dbraw/zinc/22/39/91/947223991.db2.gz HRRMVAHKPDMKQF-MMOPVJDHSA-N 1 1 357.498 3.523 20 30 FHEDMO C=CC[C@H]1[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000444784396 947226052 /nfs/dbraw/zinc/22/60/52/947226052.db2.gz NQTZODRSXLZDRN-LJQANCHMSA-N 1 1 365.539 3.926 20 30 FHEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330685886 947233463 /nfs/dbraw/zinc/23/34/63/947233463.db2.gz AGPBYWMRUPSUAK-LBPRGKRZSA-N 1 1 360.424 3.836 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000662089057 947234445 /nfs/dbraw/zinc/23/44/45/947234445.db2.gz SEVDGRGPQVTMIH-BETUJISGSA-N 1 1 360.255 3.691 20 30 FHEDMO CC(C)[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](O)COc1ccccc1 ZINC000444812571 947247502 /nfs/dbraw/zinc/24/75/02/947247502.db2.gz LHRPCNGLBOSQKB-LJQANCHMSA-N 1 1 358.869 3.862 20 30 FHEDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](O)COc1ccccc1 ZINC000444812571 947247493 /nfs/dbraw/zinc/24/74/93/947247493.db2.gz LHRPCNGLBOSQKB-LJQANCHMSA-N 1 1 358.869 3.862 20 30 FHEDMO CCCC[C@@H](CC)C[N@H+]1CCC2(CN(C(=O)c3cccc(C#N)c3)C2)C1 ZINC001271498124 947272352 /nfs/dbraw/zinc/27/23/52/947272352.db2.gz ZYYNVRUPFKVLRW-GOSISDBHSA-N 1 1 353.510 3.923 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(C)=O)c(Cl)c2)C[C@H]1C ZINC000330804386 947277864 /nfs/dbraw/zinc/27/78/64/947277864.db2.gz KHMGAULBIXGKOJ-IUODEOHRSA-N 1 1 351.878 3.893 20 30 FHEDMO Cc1cccc([C@@H]2CCCC[N@H+]2C[C@H](O)CC2(C#N)CCOCC2)c1C ZINC000599302200 947302206 /nfs/dbraw/zinc/30/22/06/947302206.db2.gz AQLXFQQKTFQBET-CTNGQTDRSA-N 1 1 356.510 3.902 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)c(OC(C)C)c2)C[C@@H]1C ZINC000330900489 947307311 /nfs/dbraw/zinc/30/73/11/947307311.db2.gz JVPRNWQNNGWMNU-DOTOQJQBSA-N 1 1 363.502 3.833 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(C)C)c(OC)c2)C[C@@H]1C ZINC000330964242 947318106 /nfs/dbraw/zinc/31/81/06/947318106.db2.gz CAYPEUBMYCJTGJ-RDJZCZTQSA-N 1 1 363.502 3.833 20 30 FHEDMO CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000330991727 947328076 /nfs/dbraw/zinc/32/80/76/947328076.db2.gz KSIYWUNPKXJQOC-GXTWGEPZSA-N 1 1 364.559 3.838 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(NC(C)=O)cc2Cl)C[C@H]1C ZINC000331125988 947353665 /nfs/dbraw/zinc/35/36/65/947353665.db2.gz NSYPGLASTQOCDB-IUODEOHRSA-N 1 1 366.893 3.649 20 30 FHEDMO CC(C)CCn1ncc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1C(C)C ZINC000331129248 947363644 /nfs/dbraw/zinc/36/36/44/947363644.db2.gz SGCYADUPAFNRGN-GOSISDBHSA-N 1 1 363.550 3.870 20 30 FHEDMO CC(C)C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1cccs1 ZINC000331217853 947371959 /nfs/dbraw/zinc/37/19/59/947371959.db2.gz GSRFICXAGLJKAN-CVEARBPZSA-N 1 1 367.559 3.526 20 30 FHEDMO N#CCCN(C(=O)C[N@H+]1CCCC(F)(F)CC1)c1cccc(Cl)c1 ZINC000599551730 947377254 /nfs/dbraw/zinc/37/72/54/947377254.db2.gz PYMSCBNRPBLKQJ-UHFFFAOYSA-N 1 1 355.816 3.708 20 30 FHEDMO N#CCCN(C(=O)C[N@@H+]1CCCC(F)(F)CC1)c1cccc(Cl)c1 ZINC000599551730 947377264 /nfs/dbraw/zinc/37/72/64/947377264.db2.gz PYMSCBNRPBLKQJ-UHFFFAOYSA-N 1 1 355.816 3.708 20 30 FHEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000331344662 947399847 /nfs/dbraw/zinc/39/98/47/947399847.db2.gz UXPQGXHTOHJISE-CQSZACIVSA-N 1 1 364.287 3.746 20 30 FHEDMO N#Cc1cnc2c(Br)cccc2c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000440633570 947430448 /nfs/dbraw/zinc/43/04/48/947430448.db2.gz BLLLNBWHRLKVFY-KGLIPLIRSA-N 1 1 371.282 3.908 20 30 FHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccc1N1CCOCC1 ZINC000093872429 947434209 /nfs/dbraw/zinc/43/42/09/947434209.db2.gz NFMWLWSEFVGRIJ-GMAHTHKFSA-N 1 1 361.489 3.795 20 30 FHEDMO COCCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872464 947434847 /nfs/dbraw/zinc/43/48/47/947434847.db2.gz KZRCUZSQBYBLFR-FCHUYYIVSA-N 1 1 350.462 3.984 20 30 FHEDMO COCCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872464 947434854 /nfs/dbraw/zinc/43/48/54/947434854.db2.gz KZRCUZSQBYBLFR-FCHUYYIVSA-N 1 1 350.462 3.984 20 30 FHEDMO C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000188948547 947566106 /nfs/dbraw/zinc/56/61/06/947566106.db2.gz WOHKBNOOMOURKM-CZTZKLFOSA-N 1 1 358.526 3.727 20 30 FHEDMO N#CCc1ccc(COC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000785332682 947623461 /nfs/dbraw/zinc/62/34/61/947623461.db2.gz KPLOJUWQWOWBFT-FQEVSTJZSA-N 1 1 366.436 3.847 20 30 FHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c(OC)c1 ZINC000441478081 947877489 /nfs/dbraw/zinc/87/74/89/947877489.db2.gz SMILOGUEVQCQMC-VBSBHUPXSA-N 1 1 359.510 3.816 20 30 FHEDMO C=CCc1cc(C[N@@H+]2CCO[C@H](c3cccc(OC)c3)C2)c(O)c(OC)c1 ZINC000164522333 948065051 /nfs/dbraw/zinc/06/50/51/948065051.db2.gz BOQPJJXGDFPKRF-NRFANRHFSA-N 1 1 369.461 3.711 20 30 FHEDMO C=CCc1cc(C[N@H+]2CCO[C@H](c3cccc(OC)c3)C2)c(O)c(OC)c1 ZINC000164522333 948065055 /nfs/dbraw/zinc/06/50/55/948065055.db2.gz BOQPJJXGDFPKRF-NRFANRHFSA-N 1 1 369.461 3.711 20 30 FHEDMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CCC(C#N)CC1 ZINC000057907824 948109479 /nfs/dbraw/zinc/10/94/79/948109479.db2.gz SBCDKXLCWIXABA-NWDGAFQWSA-N 1 1 354.281 3.795 20 30 FHEDMO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@](=O)C1 ZINC000278923454 948128601 /nfs/dbraw/zinc/12/86/01/948128601.db2.gz WVFLZKKQUJDOJB-BCHFMIIMSA-N 1 1 366.530 3.587 20 30 FHEDMO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@](=O)C1 ZINC000278923454 948128603 /nfs/dbraw/zinc/12/86/03/948128603.db2.gz WVFLZKKQUJDOJB-BCHFMIIMSA-N 1 1 366.530 3.587 20 30 FHEDMO C=CC[N@@H+](CCC(=O)OC(C)C)Cc1cc(Br)ccc1F ZINC000441528688 948223486 /nfs/dbraw/zinc/22/34/86/948223486.db2.gz YLEXOQXUTZWUOE-UHFFFAOYSA-N 1 1 358.251 3.918 20 30 FHEDMO C=CC[N@H+](CCC(=O)OC(C)C)Cc1cc(Br)ccc1F ZINC000441528688 948223491 /nfs/dbraw/zinc/22/34/91/948223491.db2.gz YLEXOQXUTZWUOE-UHFFFAOYSA-N 1 1 358.251 3.918 20 30 FHEDMO CC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543944187 948239692 /nfs/dbraw/zinc/23/96/92/948239692.db2.gz IQAYHZQAAGYZRE-MRXNPFEDSA-N 1 1 350.466 3.537 20 30 FHEDMO C=CCN(C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H](C)COC ZINC000663581289 948247135 /nfs/dbraw/zinc/24/71/35/948247135.db2.gz JMBSFFHSQQMYBT-RBUKOAKNSA-N 1 1 373.541 3.794 20 30 FHEDMO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c(Br)c1 ZINC000323001647 948305653 /nfs/dbraw/zinc/30/56/53/948305653.db2.gz DAWTYKPLULZQLO-GFCCVEGCSA-N 1 1 373.250 3.958 20 30 FHEDMO COc1cccc([C@@H]2[C@H](NC(=O)C3(C#N)CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000183263701 948366561 /nfs/dbraw/zinc/36/65/61/948366561.db2.gz HSABSZRQGGILLD-WOJBJXKFSA-N 1 1 367.493 3.563 20 30 FHEDMO C=CCn1c([C@H](C)CC)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000520663566 948528246 /nfs/dbraw/zinc/52/82/46/948528246.db2.gz OMNKDHVNKOAPSN-QZTJIDSGSA-N 1 1 353.514 3.688 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000441688730 948549983 /nfs/dbraw/zinc/54/99/83/948549983.db2.gz MHVWLYRGTLAHNE-BWAGFHJFSA-N 1 1 367.489 3.617 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000441688730 948549991 /nfs/dbraw/zinc/54/99/91/948549991.db2.gz MHVWLYRGTLAHNE-BWAGFHJFSA-N 1 1 367.489 3.617 20 30 FHEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000520707481 948642120 /nfs/dbraw/zinc/64/21/20/948642120.db2.gz HPIOCNUXHJKXSA-OAHLLOKOSA-N 1 1 369.440 3.950 20 30 FHEDMO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cn2ccccc2c1C#N ZINC000512184655 948723869 /nfs/dbraw/zinc/72/38/69/948723869.db2.gz IDHJSXFXWNEGAT-UHFFFAOYSA-N 1 1 357.417 3.535 20 30 FHEDMO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cn2ccccc2c1C#N ZINC000512184655 948723873 /nfs/dbraw/zinc/72/38/73/948723873.db2.gz IDHJSXFXWNEGAT-UHFFFAOYSA-N 1 1 357.417 3.535 20 30 FHEDMO N#Cc1ccccc1-c1ccc(CNC(=O)Cn2c[nH+]c3c2CCCC3)cc1 ZINC000541834105 567930186 /nfs/dbraw/zinc/93/01/86/567930186.db2.gz UZMFKYXMAISAQT-UHFFFAOYSA-N 1 1 370.456 3.617 20 30 FHEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000602095794 567933416 /nfs/dbraw/zinc/93/34/16/567933416.db2.gz GEENBNOKEYNYMM-AWEZNQCLSA-N 1 1 351.237 3.694 20 30 FHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000481459524 567955782 /nfs/dbraw/zinc/95/57/82/567955782.db2.gz MPNKZUOGUAAJNO-RBUKOAKNSA-N 1 1 370.541 3.846 20 30 FHEDMO C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000602498576 567983712 /nfs/dbraw/zinc/98/37/12/567983712.db2.gz OATSAZCMRUJMGH-GBESFXJTSA-N 1 1 371.525 3.807 20 30 FHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000602598329 568000087 /nfs/dbraw/zinc/00/00/87/568000087.db2.gz HLMYNVXRCGETPB-AEFFLSMTSA-N 1 1 365.481 3.781 20 30 FHEDMO Cc1cc(-c2noc([C@@H](C)[NH2+][C@@H](C)CC3(C#N)CCOCC3)n2)ccc1F ZINC000602640959 568002968 /nfs/dbraw/zinc/00/29/68/568002968.db2.gz FDCHTPKNIRNZBW-LSDHHAIUSA-N 1 1 372.444 3.934 20 30 FHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000481569844 568057198 /nfs/dbraw/zinc/05/71/98/568057198.db2.gz HMOAQAUDQXJXPU-RDJZCZTQSA-N 1 1 353.491 3.638 20 30 FHEDMO COc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000291227198 568084203 /nfs/dbraw/zinc/08/42/03/568084203.db2.gz JZKPHBSPTPDBMX-OAQYLSRUSA-N 1 1 354.425 3.652 20 30 FHEDMO N#Cc1cc(F)c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000128646068 568114443 /nfs/dbraw/zinc/11/44/43/568114443.db2.gz YPDUNEKFFXORLY-KRWDZBQOSA-N 1 1 369.415 3.621 20 30 FHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)c2)c1 ZINC000291351797 568121525 /nfs/dbraw/zinc/12/15/25/568121525.db2.gz XHLBDSGERRKWAB-LJQANCHMSA-N 1 1 372.415 3.587 20 30 FHEDMO C[N@H+](Cc1cn2ccc(Br)cc2n1)Cc1ccc(C#N)cc1 ZINC000568702988 568129567 /nfs/dbraw/zinc/12/95/67/568129567.db2.gz XHGSLWCIENPMRW-UHFFFAOYSA-N 1 1 355.239 3.600 20 30 FHEDMO C[N@@H+](Cc1cn2ccc(Br)cc2n1)Cc1ccc(C#N)cc1 ZINC000568702988 568129568 /nfs/dbraw/zinc/12/95/68/568129568.db2.gz XHGSLWCIENPMRW-UHFFFAOYSA-N 1 1 355.239 3.600 20 30 FHEDMO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC000481825684 568138614 /nfs/dbraw/zinc/13/86/14/568138614.db2.gz QFIKHYGNFXCRMH-IBGZPJMESA-N 1 1 353.853 3.618 20 30 FHEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000603840768 568153998 /nfs/dbraw/zinc/15/39/98/568153998.db2.gz RRFPEUILWUSTBX-FCHUYYIVSA-N 1 1 364.489 3.590 20 30 FHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603843042 568155339 /nfs/dbraw/zinc/15/53/39/568155339.db2.gz RKGKYHQVSMBFRL-HNAYVOBHSA-N 1 1 358.869 3.839 20 30 FHEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)CCCCC1 ZINC000603889895 568177328 /nfs/dbraw/zinc/17/73/28/568177328.db2.gz CRAPFIIKETWWDN-SFHVURJKSA-N 1 1 364.493 3.690 20 30 FHEDMO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000541915171 568233455 /nfs/dbraw/zinc/23/34/55/568233455.db2.gz BFWFXYCPPULZGZ-OXJNMPFZSA-N 1 1 367.468 3.505 20 30 FHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604503379 568302141 /nfs/dbraw/zinc/30/21/41/568302141.db2.gz IRKMBJPVNKQRID-UNMCSNQZSA-N 1 1 352.478 3.966 20 30 FHEDMO C=CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1)C1CC1 ZINC000637080865 568346607 /nfs/dbraw/zinc/34/66/07/568346607.db2.gz SCDWRHYCRSKFEK-RTBURBONSA-N 1 1 367.518 3.536 20 30 FHEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000584695988 568351031 /nfs/dbraw/zinc/35/10/31/568351031.db2.gz ARAXRESYBDRBBM-UHFFFAOYSA-N 1 1 355.825 3.599 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007018625 568425980 /nfs/dbraw/zinc/42/59/80/568425980.db2.gz NBEHMQUSURXKLU-MGPUTAFESA-N 1 1 370.522 3.530 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007018625 568425981 /nfs/dbraw/zinc/42/59/81/568425981.db2.gz NBEHMQUSURXKLU-MGPUTAFESA-N 1 1 370.522 3.530 20 30 FHEDMO N#Cc1c(NCc2ccc(C[NH+]3CCOCC3)cc2)cccc1C(F)F ZINC000570225869 568463402 /nfs/dbraw/zinc/46/34/02/568463402.db2.gz SBPNNXBQRDHCFN-UHFFFAOYSA-N 1 1 357.404 3.940 20 30 FHEDMO C=CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605168059 568595978 /nfs/dbraw/zinc/59/59/78/568595978.db2.gz SFZSQGWDHQWGPW-HOCLYGCPSA-N 1 1 355.404 3.574 20 30 FHEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H](C)C#N ZINC000049982254 568641265 /nfs/dbraw/zinc/64/12/65/568641265.db2.gz ISEKKSRVNPQTMP-CQSZACIVSA-N 1 1 358.511 3.699 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000828258040 602052381 /nfs/dbraw/zinc/05/23/81/602052381.db2.gz OSOSYIYCLWFWHA-DYESRHJHSA-N 1 1 369.509 3.660 20 30 FHEDMO Clc1ccc(C#CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000822574630 606110931 /nfs/dbraw/zinc/11/09/31/606110931.db2.gz WZEQLMDBKMRAEB-UHFFFAOYSA-N 1 1 363.852 3.536 20 30 FHEDMO Clc1ccc(C#CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000822574630 606110932 /nfs/dbraw/zinc/11/09/32/606110932.db2.gz WZEQLMDBKMRAEB-UHFFFAOYSA-N 1 1 363.852 3.536 20 30 FHEDMO CC(C)c1[nH+]c(C=CC(=O)c2cccc(-c3nn[nH]n3)c2)c2ccccn21 ZINC000820203639 606693385 /nfs/dbraw/zinc/69/33/85/606693385.db2.gz XDIUTJZISSXVGU-MDZDMXLPSA-N 1 1 358.405 3.534 20 30 FHEDMO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(C#N)c1F ZINC000824262063 608388039 /nfs/dbraw/zinc/38/80/39/608388039.db2.gz VVKHYNLQDFQWJZ-UHFFFAOYSA-N 1 1 364.428 3.536 20 30 FHEDMO C=CC[N@@H+](Cc1cnc(C(C)(C)C)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915460 608633362 /nfs/dbraw/zinc/63/33/62/608633362.db2.gz YMPIIKHYDBMIOG-UHFFFAOYSA-N 1 1 368.510 3.809 20 30 FHEDMO C=CC[N@H+](Cc1cnc(C(C)(C)C)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915460 608633363 /nfs/dbraw/zinc/63/33/63/608633363.db2.gz YMPIIKHYDBMIOG-UHFFFAOYSA-N 1 1 368.510 3.809 20 30 FHEDMO N#Cc1c(Cl)ccnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623657 719065971 /nfs/dbraw/zinc/06/59/71/719065971.db2.gz KGIJKXXIAYDHJN-APWZRJJASA-N 1 1 352.869 3.707 20 30 FHEDMO N#Cc1c(Cl)ccnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164623663 719066354 /nfs/dbraw/zinc/06/63/54/719066354.db2.gz KGIJKXXIAYDHJN-QFBILLFUSA-N 1 1 352.869 3.707 20 30 FHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nccc3ccc(C#N)cc31)CC2 ZINC001164649605 719310157 /nfs/dbraw/zinc/31/01/57/719310157.db2.gz PNFPMIHTTLSQSQ-UHFFFAOYSA-N 1 1 374.492 3.508 20 30 FHEDMO COC[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000467119855 936324627 /nfs/dbraw/zinc/32/46/27/936324627.db2.gz SXIDSFHUZYDQLV-VQTJNVASSA-N 1 1 371.525 3.687 20 30 FHEDMO C[N@@H+](CCc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1)C1CC1 ZINC000471102693 927122989 /nfs/dbraw/zinc/12/29/89/927122989.db2.gz BJWCSSANNCCTAF-HXUWFJFHSA-N 1 1 372.472 3.516 20 30 FHEDMO C=CCN1CC[C@H]([N@@H+](Cc2cccs2)C2Cc3ccccc3C2)C1=O ZINC000579724285 927190688 /nfs/dbraw/zinc/19/06/88/927190688.db2.gz KFRBIRQCYFBARG-FQEVSTJZSA-N 1 1 352.503 3.504 20 30 FHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC000430156681 927404608 /nfs/dbraw/zinc/40/46/08/927404608.db2.gz OCCAEQQGXILSLH-INIZCTEOSA-N 1 1 363.339 3.505 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)nc1 ZINC000430174502 927524912 /nfs/dbraw/zinc/52/49/12/927524912.db2.gz WFPWXLHSFBAEQK-OAQYLSRUSA-N 1 1 356.429 3.669 20 30 FHEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4ccsc4)CC3)C2=O)cc1 ZINC000186934207 927594422 /nfs/dbraw/zinc/59/44/22/927594422.db2.gz OSYVGUPIRJVNEM-IBGZPJMESA-N 1 1 351.475 3.605 20 30 FHEDMO C[N@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccccc1 ZINC000248045270 937198957 /nfs/dbraw/zinc/19/89/57/937198957.db2.gz MVBNXSPZBAHFTQ-FCHUYYIVSA-N 1 1 374.488 3.678 20 30 FHEDMO N#Cc1ccsc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246877229 927862025 /nfs/dbraw/zinc/86/20/25/927862025.db2.gz CWHNLZYNKCMMSB-RTBURBONSA-N 1 1 365.502 3.746 20 30 FHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000471147275 927967815 /nfs/dbraw/zinc/96/78/15/927967815.db2.gz KGEWSGPKIUMQNO-LJQANCHMSA-N 1 1 357.404 3.670 20 30 FHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000471147274 927968206 /nfs/dbraw/zinc/96/82/06/927968206.db2.gz KGEWSGPKIUMQNO-IBGZPJMESA-N 1 1 357.404 3.670 20 30 FHEDMO C=CC[N@@H+](CCc1ccccc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728199038 928060742 /nfs/dbraw/zinc/06/07/42/928060742.db2.gz ROVCXEXQMPAXCH-FQEVSTJZSA-N 1 1 352.453 3.830 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728199038 928060763 /nfs/dbraw/zinc/06/07/63/928060763.db2.gz ROVCXEXQMPAXCH-FQEVSTJZSA-N 1 1 352.453 3.830 20 30 FHEDMO CC(C)[C@@H](CNC(=O)c1cccc(CC#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000049657965 928284519 /nfs/dbraw/zinc/28/45/19/928284519.db2.gz QWERKUJIBATDMB-JOCHJYFZSA-N 1 1 361.489 3.565 20 30 FHEDMO CC(C)Oc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1C#N ZINC000157632975 928351022 /nfs/dbraw/zinc/35/10/22/928351022.db2.gz ZSTIIIRGQNVMPX-GOSISDBHSA-N 1 1 358.486 3.684 20 30 FHEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC(C)(C)CC#N ZINC000458431190 937239813 /nfs/dbraw/zinc/23/98/13/937239813.db2.gz OEZJLWXUOXJGPK-UHFFFAOYSA-N 1 1 368.481 3.651 20 30 FHEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC(C)(C)CC#N ZINC000458431190 937239817 /nfs/dbraw/zinc/23/98/17/937239817.db2.gz OEZJLWXUOXJGPK-UHFFFAOYSA-N 1 1 368.481 3.651 20 30 FHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000510132400 928938886 /nfs/dbraw/zinc/93/88/86/928938886.db2.gz KZLPHISEXHQKFF-QHCPKHFHSA-N 1 1 361.489 3.618 20 30 FHEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000548791735 937288633 /nfs/dbraw/zinc/28/86/33/937288633.db2.gz GCBQJOWZJLYJAL-UHFFFAOYSA-N 1 1 361.474 3.657 20 30 FHEDMO C=CCN(CC[N@H+](Cc1ccccc1)Cc1ccccn1)C(=O)OCC ZINC001209016890 929063593 /nfs/dbraw/zinc/06/35/93/929063593.db2.gz HLEQEUKTEGEQLH-UHFFFAOYSA-N 1 1 353.466 3.728 20 30 FHEDMO C=CCN(CC[N@@H+](Cc1ccccc1)Cc1ccccn1)C(=O)OCC ZINC001209016890 929063602 /nfs/dbraw/zinc/06/36/02/929063602.db2.gz HLEQEUKTEGEQLH-UHFFFAOYSA-N 1 1 353.466 3.728 20 30 FHEDMO C[N@H+](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1CCSC1 ZINC000120601865 929063776 /nfs/dbraw/zinc/06/37/76/929063776.db2.gz MUNVQSIFMMCGFR-KRWDZBQOSA-N 1 1 367.474 3.726 20 30 FHEDMO C[N@@H+](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1CCSC1 ZINC000120601865 929063787 /nfs/dbraw/zinc/06/37/87/929063787.db2.gz MUNVQSIFMMCGFR-KRWDZBQOSA-N 1 1 367.474 3.726 20 30 FHEDMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000579879183 929114717 /nfs/dbraw/zinc/11/47/17/929114717.db2.gz VQLAOTRJLQESDI-IYBDPMFKSA-N 1 1 367.415 3.986 20 30 FHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175822282 929698296 /nfs/dbraw/zinc/69/82/96/929698296.db2.gz BOVRRMCDRAECCK-SJORKVTESA-N 1 1 372.490 3.595 20 30 FHEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000683680549 929767970 /nfs/dbraw/zinc/76/79/70/929767970.db2.gz QUWABGLJQDNPTK-QAPCUYQASA-N 1 1 358.507 3.935 20 30 FHEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC001167337414 929992638 /nfs/dbraw/zinc/99/26/38/929992638.db2.gz RCNITDRFAKBVSJ-QFIPXVFZSA-N 1 1 364.489 3.785 20 30 FHEDMO C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000610348999 930065350 /nfs/dbraw/zinc/06/53/50/930065350.db2.gz NHOMMVWTAROQTL-IXDOHACOSA-N 1 1 356.514 3.675 20 30 FHEDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000610351638 930089376 /nfs/dbraw/zinc/08/93/76/930089376.db2.gz BRHLTNIGYARQLT-UTKZUKDTSA-N 1 1 362.477 3.583 20 30 FHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083243587 930189983 /nfs/dbraw/zinc/18/99/83/930189983.db2.gz LGJJXVRVDDMFNG-IBGZPJMESA-N 1 1 361.489 3.786 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)s1 ZINC000580128818 930284952 /nfs/dbraw/zinc/28/49/52/930284952.db2.gz YFGQDJYUFCJSOQ-SFHVURJKSA-N 1 1 367.518 3.723 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)s1 ZINC000580128818 930284960 /nfs/dbraw/zinc/28/49/60/930284960.db2.gz YFGQDJYUFCJSOQ-SFHVURJKSA-N 1 1 367.518 3.723 20 30 FHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000610390086 930302842 /nfs/dbraw/zinc/30/28/42/930302842.db2.gz ARTXHZUIEQTZHY-GOSISDBHSA-N 1 1 367.474 3.783 20 30 FHEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000610390086 930302852 /nfs/dbraw/zinc/30/28/52/930302852.db2.gz ARTXHZUIEQTZHY-GOSISDBHSA-N 1 1 367.474 3.783 20 30 FHEDMO C=CC1CC[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC001167405644 930713846 /nfs/dbraw/zinc/71/38/46/930713846.db2.gz ILKYMTRLQNIZTL-UHFFFAOYSA-N 1 1 372.206 3.597 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1sccc1C#N ZINC000135055751 930745137 /nfs/dbraw/zinc/74/51/37/930745137.db2.gz SSWMPKDNSBULPC-QAPCUYQASA-N 1 1 353.491 3.602 20 30 FHEDMO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601242 930909777 /nfs/dbraw/zinc/90/97/77/930909777.db2.gz CZORWRISLHJAMH-IBGZPJMESA-N 1 1 369.534 3.761 20 30 FHEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601242 930909783 /nfs/dbraw/zinc/90/97/83/930909783.db2.gz CZORWRISLHJAMH-IBGZPJMESA-N 1 1 369.534 3.761 20 30 FHEDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601242 930909790 /nfs/dbraw/zinc/90/97/90/930909790.db2.gz CZORWRISLHJAMH-IBGZPJMESA-N 1 1 369.534 3.761 20 30 FHEDMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601242 930909794 /nfs/dbraw/zinc/90/97/94/930909794.db2.gz CZORWRISLHJAMH-IBGZPJMESA-N 1 1 369.534 3.761 20 30 FHEDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000247292358 931095481 /nfs/dbraw/zinc/09/54/81/931095481.db2.gz GNIZCKUBJQAVAM-HRAATJIYSA-N 1 1 363.461 3.763 20 30 FHEDMO C=C(Br)C[N@@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000077176037 931161310 /nfs/dbraw/zinc/16/13/10/931161310.db2.gz VDKNHSOCGUAVMI-UHFFFAOYSA-N 1 1 354.288 3.709 20 30 FHEDMO C=C(Br)C[N@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000077176037 931161314 /nfs/dbraw/zinc/16/13/14/931161314.db2.gz VDKNHSOCGUAVMI-UHFFFAOYSA-N 1 1 354.288 3.709 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000077182371 931245557 /nfs/dbraw/zinc/24/55/57/931245557.db2.gz XTAHKJJXCSIRGD-SUMWQHHRSA-N 1 1 355.404 3.580 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000077182371 931245563 /nfs/dbraw/zinc/24/55/63/931245563.db2.gz XTAHKJJXCSIRGD-SUMWQHHRSA-N 1 1 355.404 3.580 20 30 FHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CC(=O)N(C)C3(C#N)CCCCC3)C2)c1 ZINC000580874917 931286375 /nfs/dbraw/zinc/28/63/75/931286375.db2.gz XOANQKISTBCRDI-WGSAOQKQSA-N 1 1 369.509 3.558 20 30 FHEDMO C=CCOc1ccc(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000580910700 931331232 /nfs/dbraw/zinc/33/12/32/931331232.db2.gz YZMWKSYPSXUZEB-GOSISDBHSA-N 1 1 359.514 3.563 20 30 FHEDMO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473994 931469057 /nfs/dbraw/zinc/46/90/57/931469057.db2.gz QQZPTYOGMQPBTA-IIBYNOLFSA-N 1 1 365.452 3.929 20 30 FHEDMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473994 931469060 /nfs/dbraw/zinc/46/90/60/931469060.db2.gz QQZPTYOGMQPBTA-IIBYNOLFSA-N 1 1 365.452 3.929 20 30 FHEDMO N#Cc1nnc2ccccc2c1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000077214118 931584058 /nfs/dbraw/zinc/58/40/58/931584058.db2.gz GKEMLCKQRPDYDU-HNNXBMFYSA-N 1 1 363.490 3.887 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@H](C)C1 ZINC000157805792 931730090 /nfs/dbraw/zinc/73/00/90/931730090.db2.gz ONEPGEXVHGJBPR-QAPCUYQASA-N 1 1 358.486 3.539 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000177965662 931799263 /nfs/dbraw/zinc/79/92/63/931799263.db2.gz BXHMJMOTJIWDBH-GOSISDBHSA-N 1 1 353.510 3.604 20 30 FHEDMO Cc1nc(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)cc1C#N ZINC000581343910 931864909 /nfs/dbraw/zinc/86/49/09/931864909.db2.gz HKZDVDHPLIUGFP-KXBFYZLASA-N 1 1 370.884 3.617 20 30 FHEDMO Cc1nc(N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)cc1C#N ZINC000581343910 931864913 /nfs/dbraw/zinc/86/49/13/931864913.db2.gz HKZDVDHPLIUGFP-KXBFYZLASA-N 1 1 370.884 3.617 20 30 FHEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3cccc(OC(F)F)c3)CC2)cc1 ZINC000050959390 931949878 /nfs/dbraw/zinc/94/98/78/931949878.db2.gz NMBZTNGHYGADRV-UHFFFAOYSA-N 1 1 371.431 3.868 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc(OC(F)F)c3)CC2)cc1 ZINC000050959390 931949882 /nfs/dbraw/zinc/94/98/82/931949882.db2.gz NMBZTNGHYGADRV-UHFFFAOYSA-N 1 1 371.431 3.868 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(OC(F)F)c3)CC2)cc1 ZINC000050959390 931949895 /nfs/dbraw/zinc/94/98/95/931949895.db2.gz NMBZTNGHYGADRV-UHFFFAOYSA-N 1 1 371.431 3.868 20 30 FHEDMO C[C@@H]1C[C@H](N(C)C(=O)C2(C#N)CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000933261069 931995455 /nfs/dbraw/zinc/99/54/55/931995455.db2.gz YJKAVVACSOHQGC-IEBWSBKVSA-N 1 1 371.550 3.535 20 30 FHEDMO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225671 932076668 /nfs/dbraw/zinc/07/66/68/932076668.db2.gz UVIRPFGWKYNIJQ-UHFFFAOYSA-N 1 1 370.434 3.521 20 30 FHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000157872069 932445145 /nfs/dbraw/zinc/44/51/45/932445145.db2.gz YUMCDAWZGVPQTR-KRWDZBQOSA-N 1 1 366.417 3.511 20 30 FHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCCC2(C)C)c1C#N ZINC000477438508 932606263 /nfs/dbraw/zinc/60/62/63/932606263.db2.gz UYLWNUSZNNUUOS-UHFFFAOYSA-N 1 1 364.493 3.838 20 30 FHEDMO CC(C[C@@H](C)CCNC(=O)OC(C)(C)C)=[NH+]n1cc(Br)cn1 ZINC000834966476 932607768 /nfs/dbraw/zinc/60/77/68/932607768.db2.gz PAIHQLANGWWQKB-NSHDSACASA-N 1 1 373.295 3.811 20 30 FHEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000581768888 932641954 /nfs/dbraw/zinc/64/19/54/932641954.db2.gz LSJLNMGNWILFLX-GOSISDBHSA-N 1 1 364.449 3.908 20 30 FHEDMO C=CCCCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000471700764 932644064 /nfs/dbraw/zinc/64/40/64/932644064.db2.gz LQNZFPHLZPPWHB-SFHVURJKSA-N 1 1 354.416 3.914 20 30 FHEDMO N#Cc1cc2c(nc1NC1CC[NH+](Cc3ccc(F)c(F)c3)CC1)CCC2 ZINC000328827575 932767803 /nfs/dbraw/zinc/76/78/03/932767803.db2.gz JNTYZCKZNMJRQC-UHFFFAOYSA-N 1 1 368.431 3.797 20 30 FHEDMO COc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001143400195 932792071 /nfs/dbraw/zinc/79/20/71/932792071.db2.gz RDDJPIWZAFUHLD-QGZVFWFLSA-N 1 1 358.388 3.888 20 30 FHEDMO COc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001143400195 932792076 /nfs/dbraw/zinc/79/20/76/932792076.db2.gz RDDJPIWZAFUHLD-QGZVFWFLSA-N 1 1 358.388 3.888 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ccc(-c4ccncc4)cn3)CC2)cc1 ZINC000891620502 932864294 /nfs/dbraw/zinc/86/42/94/932864294.db2.gz BLDSXNQGTNRKAG-UHFFFAOYSA-N 1 1 369.472 3.728 20 30 FHEDMO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000328856880 933022919 /nfs/dbraw/zinc/02/29/19/933022919.db2.gz XMZDKTYUAZCRBK-ZMMAXQRCSA-N 1 1 363.546 3.776 20 30 FHEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC2(CC#N)CC2)c2ccc(F)cc2)c1 ZINC000430758085 933203095 /nfs/dbraw/zinc/20/30/95/933203095.db2.gz YWKUUQUGCZCISY-IBGZPJMESA-N 1 1 372.465 3.602 20 30 FHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000430874885 933352936 /nfs/dbraw/zinc/35/29/36/933352936.db2.gz IUVOBGDPHBYKQA-LJQANCHMSA-N 1 1 350.462 3.736 20 30 FHEDMO Cc1nccc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3OC(F)F)C2)n1 ZINC000610613645 933536832 /nfs/dbraw/zinc/53/68/32/933536832.db2.gz ZLLDDEAXQCKTSW-HNNXBMFYSA-N 1 1 358.392 3.638 20 30 FHEDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)n1 ZINC000610613645 933536839 /nfs/dbraw/zinc/53/68/39/933536839.db2.gz ZLLDDEAXQCKTSW-HNNXBMFYSA-N 1 1 358.392 3.638 20 30 FHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000610615030 933538808 /nfs/dbraw/zinc/53/88/08/933538808.db2.gz SBRRSSCVFFHJPW-LJQANCHMSA-N 1 1 371.431 3.866 20 30 FHEDMO C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610707809 933862990 /nfs/dbraw/zinc/86/29/90/933862990.db2.gz XLNNOLNKTQEXOE-FIKGOQFSSA-N 1 1 362.477 3.581 20 30 FHEDMO CC[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C[C@@H](C)C#N ZINC000091983715 933933104 /nfs/dbraw/zinc/93/31/04/933933104.db2.gz HLKYGPSVSQBZBB-SFHVURJKSA-N 1 1 359.477 3.975 20 30 FHEDMO CC[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C[C@@H](C)C#N ZINC000091983715 933933107 /nfs/dbraw/zinc/93/31/07/933933107.db2.gz HLKYGPSVSQBZBB-SFHVURJKSA-N 1 1 359.477 3.975 20 30 FHEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000749523434 933947781 /nfs/dbraw/zinc/94/77/81/933947781.db2.gz WFSVURPTRHSYPY-UHFFFAOYSA-N 1 1 358.486 3.565 20 30 FHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535822336 934514070 /nfs/dbraw/zinc/51/40/70/934514070.db2.gz JWXXPVJQOFPVHD-UHFFFAOYSA-N 1 1 367.384 3.503 20 30 FHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535822336 934514076 /nfs/dbraw/zinc/51/40/76/934514076.db2.gz JWXXPVJQOFPVHD-UHFFFAOYSA-N 1 1 367.384 3.503 20 30 FHEDMO N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000535833769 934562083 /nfs/dbraw/zinc/56/20/83/934562083.db2.gz LKOKHPXCBCOZNP-IBGZPJMESA-N 1 1 374.488 3.983 20 30 FHEDMO C[C@H](c1ccccc1)[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CC1 ZINC000610968454 934663462 /nfs/dbraw/zinc/66/34/62/934663462.db2.gz WAINMUPNMAPJIN-UTKZUKDTSA-N 1 1 350.462 3.718 20 30 FHEDMO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000610967877 934663787 /nfs/dbraw/zinc/66/37/87/934663787.db2.gz UQBYFAVJBSFSMM-GHTZIAJQSA-N 1 1 367.493 3.879 20 30 FHEDMO N#Cc1cc(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)ccn1 ZINC000610993649 934729322 /nfs/dbraw/zinc/72/93/22/934729322.db2.gz YLSVEYYMFWHHFY-UHFFFAOYSA-N 1 1 357.457 3.927 20 30 FHEDMO Fc1cc(C=[NH+]Nc2cccc3cnccc32)ccc1N1CCOCC1 ZINC000728432826 934844223 /nfs/dbraw/zinc/84/42/23/934844223.db2.gz DDRDEVNYWPJRDA-UHFFFAOYSA-N 1 1 350.397 3.657 20 30 FHEDMO N#Cc1ccccc1N1CCC[C@H]([NH2+][C@H](c2cccs2)c2ncc[nH]2)C1 ZINC000375650462 934867379 /nfs/dbraw/zinc/86/73/79/934867379.db2.gz UXOZXEOLCSMJIU-QFBILLFUSA-N 1 1 363.490 3.691 20 30 FHEDMO Cc1cnc(C2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)s1 ZINC000277297338 934900387 /nfs/dbraw/zinc/90/03/87/934900387.db2.gz CFGBTMNHIYZTGH-UHFFFAOYSA-N 1 1 365.462 3.753 20 30 FHEDMO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000657310105 935081207 /nfs/dbraw/zinc/08/12/07/935081207.db2.gz LKSNMIMKMRHIHC-UHFFFAOYSA-N 1 1 355.257 3.887 20 30 FHEDMO C=CCCn1cc(CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1 ZINC000657313148 935116314 /nfs/dbraw/zinc/11/63/14/935116314.db2.gz GJHAHQGAXMMQJE-KDURUIRLSA-N 1 1 367.541 3.622 20 30 FHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)c1 ZINC000796679473 935153090 /nfs/dbraw/zinc/15/30/90/935153090.db2.gz NVHFTHNUACGNOU-GOSISDBHSA-N 1 1 359.445 3.721 20 30 FHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)c1 ZINC000796679473 935153093 /nfs/dbraw/zinc/15/30/93/935153093.db2.gz NVHFTHNUACGNOU-GOSISDBHSA-N 1 1 359.445 3.721 20 30 FHEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507246302 945080351 /nfs/dbraw/zinc/08/03/51/945080351.db2.gz DSJXVBMWCSOQHR-UNMCSNQZSA-N 1 1 370.537 3.634 20 30 FHEDMO COc1cc(OC)c2ncc(C#N)c(Nc3ccc4[nH+]c(C)cn4c3)c2c1 ZINC000582079666 935219533 /nfs/dbraw/zinc/21/95/33/935219533.db2.gz TZCADWGFLDCVNS-UHFFFAOYSA-N 1 1 359.389 3.823 20 30 FHEDMO C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(C#N)cc1F ZINC000551393462 935269028 /nfs/dbraw/zinc/26/90/28/935269028.db2.gz ICXFLMBJAPDGNX-FXAWDEMLSA-N 1 1 367.468 3.639 20 30 FHEDMO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(C#N)cc1F ZINC000551393462 935269034 /nfs/dbraw/zinc/26/90/34/935269034.db2.gz ICXFLMBJAPDGNX-FXAWDEMLSA-N 1 1 367.468 3.639 20 30 FHEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)C2)C1 ZINC000458854170 945089402 /nfs/dbraw/zinc/08/94/02/945089402.db2.gz XBOHXRPWTYMVEU-PZJWPPBQSA-N 1 1 354.498 3.549 20 30 FHEDMO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000582104399 935277150 /nfs/dbraw/zinc/27/71/50/935277150.db2.gz QTCCRPAETBMJRQ-UHFFFAOYSA-N 1 1 357.502 3.652 20 30 FHEDMO CCC[N@@H+](CC)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000472210749 935503224 /nfs/dbraw/zinc/50/32/24/935503224.db2.gz RJVLFJAMJZANEN-UHFFFAOYSA-N 1 1 365.477 3.599 20 30 FHEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)c(F)c1 ZINC000582327946 935525937 /nfs/dbraw/zinc/52/59/37/935525937.db2.gz DYADBJIXXLHFHP-UHFFFAOYSA-N 1 1 350.397 3.617 20 30 FHEDMO C[N@@H+](CCc1cccc2ccccc21)CC(=O)NCc1ccc(C#N)cc1 ZINC000507284152 945107342 /nfs/dbraw/zinc/10/73/42/945107342.db2.gz ZXJMSCYQEGACPJ-UHFFFAOYSA-N 1 1 357.457 3.502 20 30 FHEDMO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccccc1C(C)(C)C#N ZINC000563309599 935562853 /nfs/dbraw/zinc/56/28/53/935562853.db2.gz AZGLNUDFMMYFKS-UHFFFAOYSA-N 1 1 369.534 3.996 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511108805 935606729 /nfs/dbraw/zinc/60/67/29/935606729.db2.gz QOFJFZHZZRZNCA-MRXNPFEDSA-N 1 1 367.424 3.843 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC=C(c2ccco2)C1 ZINC000511108805 935606730 /nfs/dbraw/zinc/60/67/30/935606730.db2.gz QOFJFZHZZRZNCA-MRXNPFEDSA-N 1 1 367.424 3.843 20 30 FHEDMO N#Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000047338330 945112211 /nfs/dbraw/zinc/11/22/11/945112211.db2.gz DZWMEPUWJNNEEA-UHFFFAOYSA-N 1 1 370.403 3.623 20 30 FHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000127724259 935759821 /nfs/dbraw/zinc/75/98/21/935759821.db2.gz WBOPDXIULKNMII-GOSISDBHSA-N 1 1 350.418 3.675 20 30 FHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000127724259 935759823 /nfs/dbraw/zinc/75/98/23/935759823.db2.gz WBOPDXIULKNMII-GOSISDBHSA-N 1 1 350.418 3.675 20 30 FHEDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000158985632 935779105 /nfs/dbraw/zinc/77/91/05/935779105.db2.gz FBOHDLGAEAWJQS-HNNXBMFYSA-N 1 1 371.510 3.997 20 30 FHEDMO Cc1nc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1C#N ZINC000479220558 935819255 /nfs/dbraw/zinc/81/92/55/935819255.db2.gz ITXLPZAHJNRNEZ-MRXNPFEDSA-N 1 1 362.477 3.566 20 30 FHEDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000152802065 935869900 /nfs/dbraw/zinc/86/99/00/935869900.db2.gz NKDBLDCXSVDEPE-SFHVURJKSA-N 1 1 369.509 3.583 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000479868501 935909776 /nfs/dbraw/zinc/90/97/76/935909776.db2.gz YVIBOQCYYNQRFS-KRWDZBQOSA-N 1 1 363.461 3.955 20 30 FHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000684966484 935912928 /nfs/dbraw/zinc/91/29/28/935912928.db2.gz HMWWTUJFILJMOV-NRFANRHFSA-N 1 1 368.452 3.623 20 30 FHEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075712259 936015457 /nfs/dbraw/zinc/01/54/57/936015457.db2.gz YPISKBGGWAGGHI-SFHVURJKSA-N 1 1 360.417 3.954 20 30 FHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075712259 936015458 /nfs/dbraw/zinc/01/54/58/936015458.db2.gz YPISKBGGWAGGHI-SFHVURJKSA-N 1 1 360.417 3.954 20 30 FHEDMO C=CCOc1c(Cl)cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000628140405 936033241 /nfs/dbraw/zinc/03/32/41/936033241.db2.gz JOXJLUZSPTYWDK-OAHLLOKOSA-N 1 1 352.906 3.687 20 30 FHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C)Cc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000187769566 936163936 /nfs/dbraw/zinc/16/39/36/936163936.db2.gz KOTHJFIPOHMNEL-NRFANRHFSA-N 1 1 374.431 3.839 20 30 FHEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000078531644 936197869 /nfs/dbraw/zinc/19/78/69/936197869.db2.gz OEDLZCCHOVRADU-PXNSSMCTSA-N 1 1 362.477 3.899 20 30 FHEDMO Cc1nc(C[NH+]2CCC(CNc3ncc(C#N)cc3Cl)CC2)cs1 ZINC000362777810 936199546 /nfs/dbraw/zinc/19/95/46/936199546.db2.gz OCKZQXYOYIFTME-UHFFFAOYSA-N 1 1 361.902 3.696 20 30 FHEDMO CCC[N@@H+](CCOc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000507346267 945159653 /nfs/dbraw/zinc/15/96/53/945159653.db2.gz GRSGNPUOSPBZBA-QGZVFWFLSA-N 1 1 351.450 3.676 20 30 FHEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1O ZINC000178885964 938262697 /nfs/dbraw/zinc/26/26/97/938262697.db2.gz DCHGRGCYQHEAMK-HXUWFJFHSA-N 1 1 357.425 3.842 20 30 FHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1O ZINC000178885964 938262701 /nfs/dbraw/zinc/26/27/01/938262701.db2.gz DCHGRGCYQHEAMK-HXUWFJFHSA-N 1 1 357.425 3.842 20 30 FHEDMO C=CCOc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000245693814 938310194 /nfs/dbraw/zinc/31/01/94/938310194.db2.gz AXRLUKXPNOZMQS-AZUAARDMSA-N 1 1 356.510 3.709 20 30 FHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1OC ZINC000245693814 938310199 /nfs/dbraw/zinc/31/01/99/938310199.db2.gz AXRLUKXPNOZMQS-AZUAARDMSA-N 1 1 356.510 3.709 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1OC ZINC000245693814 938310200 /nfs/dbraw/zinc/31/02/00/938310200.db2.gz AXRLUKXPNOZMQS-AZUAARDMSA-N 1 1 356.510 3.709 20 30 FHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1Cl ZINC000245775476 938314127 /nfs/dbraw/zinc/31/41/27/938314127.db2.gz SORJEOFQAQKOFA-SJLPKXTDSA-N 1 1 371.930 3.692 20 30 FHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1Cl ZINC000245775476 938314129 /nfs/dbraw/zinc/31/41/29/938314129.db2.gz SORJEOFQAQKOFA-SJLPKXTDSA-N 1 1 371.930 3.692 20 30 FHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000246699183 938391236 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ASJACHOFMAHSGK-VBKZILBWSA-N 1 1 373.522 3.978 20 30 FHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000329638515 938565193 /nfs/dbraw/zinc/56/51/93/938565193.db2.gz ASJACHOFMAHSGK-VBKZILBWSA-N 1 1 373.522 3.978 20 30 FHEDMO CCC[N@@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000052825967 938614708 /nfs/dbraw/zinc/61/47/08/938614708.db2.gz LTYBWGSKGWAEFL-UHFFFAOYSA-N 1 1 361.898 3.802 20 30 FHEDMO CCc1ccsc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053026566 938813236 /nfs/dbraw/zinc/81/32/36/938813236.db2.gz XOEMPJGXJXDUDR-UHFFFAOYSA-N 1 1 353.491 3.530 20 30 FHEDMO CCc1ccsc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053026566 938813240 /nfs/dbraw/zinc/81/32/40/938813240.db2.gz XOEMPJGXJXDUDR-UHFFFAOYSA-N 1 1 353.491 3.530 20 30 FHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000472336196 938994068 /nfs/dbraw/zinc/99/40/68/938994068.db2.gz DNWZTOKTDSUPEX-AGHHOFFYSA-N 1 1 359.473 3.617 20 30 FHEDMO C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(-c2ccccc2)cs1 ZINC000548851414 939009693 /nfs/dbraw/zinc/00/96/93/939009693.db2.gz KBLNBLSLRZFSMX-CYBMUJFWSA-N 1 1 360.446 3.575 20 30 FHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472355625 939020101 /nfs/dbraw/zinc/02/01/01/939020101.db2.gz YIZNSMYMRBNWQX-GGPKGHCWSA-N 1 1 353.510 3.671 20 30 FHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000472357573 939048076 /nfs/dbraw/zinc/04/80/76/939048076.db2.gz BOYIYUXMEHKDDM-CTNGQTDRSA-N 1 1 361.489 3.886 20 30 FHEDMO CC(C)c1nccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000375786917 939067629 /nfs/dbraw/zinc/06/76/29/939067629.db2.gz DLCVBLQUMFTISS-LJQANCHMSA-N 1 1 365.481 3.544 20 30 FHEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(F)c2C#N)[C@@H]1c1cccs1 ZINC000188236469 939072550 /nfs/dbraw/zinc/07/25/50/939072550.db2.gz IGWYKNUVQHBTTP-SCLBCKFNSA-N 1 1 357.454 3.572 20 30 FHEDMO N#CCc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 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C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466920392 940300044 /nfs/dbraw/zinc/30/00/44/940300044.db2.gz PKMVALFPGGJCCB-SWLSCSKDSA-N 1 1 353.919 3.582 20 30 FHEDMO C=CC[N@@H+](CC1Cc2ccccc2C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000685836956 940416082 /nfs/dbraw/zinc/41/60/82/940416082.db2.gz RKMHXGVTEYNNQY-QGZVFWFLSA-N 1 1 359.477 3.626 20 30 FHEDMO CC(C)(COc1ncc(Cl)cc1Cl)[NH2+]Cc1nc(C#N)cs1 ZINC000580009663 940430556 /nfs/dbraw/zinc/43/05/56/940430556.db2.gz MIGXCTARSDPUGE-UHFFFAOYSA-N 1 1 357.266 3.664 20 30 FHEDMO Cc1cc(Cl)c2ncc(C#N)c(NCCN3CC[N@H+](C)C(C)(C)C3)c2c1 ZINC000548987678 940441800 /nfs/dbraw/zinc/44/18/00/940441800.db2.gz GUIDVWSTIAFDOG-UHFFFAOYSA-N 1 1 371.916 3.506 20 30 FHEDMO Cc1cc(Cl)c2ncc(C#N)c(NCC[N@H+]3CCN(C)C(C)(C)C3)c2c1 ZINC000548987678 940441801 /nfs/dbraw/zinc/44/18/01/940441801.db2.gz GUIDVWSTIAFDOG-UHFFFAOYSA-N 1 1 371.916 3.506 20 30 FHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC12CCCCC2 ZINC000613188788 940480788 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CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001126465634 944451341 /nfs/dbraw/zinc/45/13/41/944451341.db2.gz BEFJVCWKMREPAM-SFHVURJKSA-N 1 1 350.422 3.557 20 30 FHEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000425975686 944475304 /nfs/dbraw/zinc/47/53/04/944475304.db2.gz FVESSBBYLXORNX-LJQANCHMSA-N 1 1 369.440 3.947 20 30 FHEDMO CC[C@@](C)(O)C[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000439253423 944486066 /nfs/dbraw/zinc/48/60/66/944486066.db2.gz AJAWOZKQFSAMFQ-JOCHJYFZSA-N 1 1 368.477 3.609 20 30 FHEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000517663768 944488344 /nfs/dbraw/zinc/48/83/44/944488344.db2.gz JVHODTNHBGPIHK-LJQANCHMSA-N 1 1 363.461 3.759 20 30 FHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc2c(cc1Br)OCCO2 ZINC000048786328 944493602 /nfs/dbraw/zinc/49/36/02/944493602.db2.gz MBHXBXNNCHKEIC-LBPRGKRZSA-N 1 1 373.250 3.943 20 30 FHEDMO C=CCN(CCc1ccco1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438317827 944504720 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20 30 FHEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507199049 945025282 /nfs/dbraw/zinc/02/52/82/945025282.db2.gz DOASEDLEDVPYML-FPOVZHCZSA-N 1 1 370.537 3.634 20 30 FHEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425723248 945039091 /nfs/dbraw/zinc/03/90/91/945039091.db2.gz CBKQKJSGFSIDIV-PKOBYXMFSA-N 1 1 356.514 3.629 20 30 FHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc(C#N)ccc1Cl ZINC000506368351 945052404 /nfs/dbraw/zinc/05/24/04/945052404.db2.gz IQLZDKFRZSHPJY-UHFFFAOYSA-N 1 1 355.869 3.982 20 30 FHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000660673962 945378900 /nfs/dbraw/zinc/37/89/00/945378900.db2.gz BFYQFOIFIUHMEZ-YRPNKDGESA-N 1 1 365.562 3.558 20 30 FHEDMO CC(C)n1ncc2c1C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc3ccccc3C1)CC2 ZINC000330166290 945384319 /nfs/dbraw/zinc/38/43/19/945384319.db2.gz VDEXZPQGMNNCAJ-UZLBHIALSA-N 1 1 366.509 3.725 20 30 FHEDMO CC(C)n1ncc2c1C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc3ccccc3C1)CC2 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Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2cccnc2)C(C)C)c1C ZINC000093225134 945835958 /nfs/dbraw/zinc/83/59/58/945835958.db2.gz GTVZXTLLSXOCOP-UHFFFAOYSA-N 1 1 364.493 3.856 20 30 FHEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](C)C1 ZINC000281819802 945869745 /nfs/dbraw/zinc/86/97/45/945869745.db2.gz WURLVBUSJIEKBI-ARFHVFGLSA-N 1 1 361.511 3.519 20 30 FHEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](C)C1 ZINC000281819802 945869750 /nfs/dbraw/zinc/86/97/50/945869750.db2.gz WURLVBUSJIEKBI-ARFHVFGLSA-N 1 1 361.511 3.519 20 30 FHEDMO N#Cc1ccc(C(=O)N2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC001271562173 945883094 /nfs/dbraw/zinc/88/30/94/945883094.db2.gz NZDIEIVXAQXWSD-UHFFFAOYSA-N 1 1 351.494 3.819 20 30 FHEDMO C=C(C)CN1CCC([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000281836591 945884246 /nfs/dbraw/zinc/88/42/46/945884246.db2.gz AHNZDQUJELWTQP-UHFFFAOYSA-N 1 1 366.531 3.620 20 30 FHEDMO COCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000519917950 945895569 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20 30 FHEDMO C[C@@H]1C[NH+](Cc2ccccc2NCc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000079174254 946036867 /nfs/dbraw/zinc/03/68/67/946036867.db2.gz GLSZYWTWAVSMET-HZPDHXFCSA-N 1 1 353.441 3.919 20 30 FHEDMO C=CCn1c(C2CCC2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508467251 946046459 /nfs/dbraw/zinc/04/64/59/946046459.db2.gz XSKKNWMIAAWKLP-LJQANCHMSA-N 1 1 365.525 3.690 20 30 FHEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000661380078 946052810 /nfs/dbraw/zinc/05/28/10/946052810.db2.gz DRHXWFPVKORDCV-APWZRJJASA-N 1 1 355.507 3.637 20 30 FHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C1 ZINC000661381088 946052913 /nfs/dbraw/zinc/05/29/13/946052913.db2.gz VCWIEZXSNTVSPO-CQSZACIVSA-N 1 1 373.453 3.551 20 30 FHEDMO C[C@H]1CCN(C(=O)NCC2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000440994961 946096659 /nfs/dbraw/zinc/09/66/59/946096659.db2.gz XUQRZQRUOJQMAL-HDYDNRTBSA-N 1 1 368.525 3.622 20 30 FHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1F ZINC000520174031 946228975 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363.490 3.531 20 30 FHEDMO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000475111182 946392937 /nfs/dbraw/zinc/39/29/37/946392937.db2.gz CDVSTANPEBAVHO-UHFFFAOYSA-N 1 1 367.518 3.550 20 30 FHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c(C#N)c1C ZINC000121364255 946425725 /nfs/dbraw/zinc/42/57/25/946425725.db2.gz WXCHDDUPIJHWAI-WMLDXEAASA-N 1 1 369.440 3.799 20 30 FHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c(C#N)c1C ZINC000121364255 946425729 /nfs/dbraw/zinc/42/57/29/946425729.db2.gz WXCHDDUPIJHWAI-WMLDXEAASA-N 1 1 369.440 3.799 20 30 FHEDMO CC(C)(CCC#N)C[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000475494582 946442262 /nfs/dbraw/zinc/44/22/62/946442262.db2.gz RRBCQMZPRALNPQ-UHFFFAOYSA-N 1 1 365.477 3.635 20 30 FHEDMO CC(C)[C@H](CNC(=O)c1cccc(CC#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000049657967 946507008 /nfs/dbraw/zinc/50/70/08/946507008.db2.gz QWERKUJIBATDMB-QFIPXVFZSA-N 1 1 361.489 3.565 20 30 FHEDMO N#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411764 946565439 /nfs/dbraw/zinc/56/54/39/946565439.db2.gz HJDRLXCMRCQHER-QAPCUYQASA-N 1 1 361.436 3.608 20 30 FHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000520421780 946568406 /nfs/dbraw/zinc/56/84/06/946568406.db2.gz CEOKUINUVPUOQX-QKLQHJQFSA-N 1 1 371.550 3.655 20 30 FHEDMO C=CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C(C)(C)C ZINC000661755847 946583568 /nfs/dbraw/zinc/58/35/68/946583568.db2.gz RZGUBJMEFSZBFA-MRXNPFEDSA-N 1 1 355.438 3.837 20 30 FHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000783595462 946590114 /nfs/dbraw/zinc/59/01/14/946590114.db2.gz PZSKVCZXXHAERM-INIZCTEOSA-N 1 1 363.383 3.751 20 30 FHEDMO C[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101635513 946591031 /nfs/dbraw/zinc/59/10/31/946591031.db2.gz COMMMNKYWZXMEL-KFWWJZLASA-N 1 1 368.506 3.805 20 30 FHEDMO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1c(F)cccc1F ZINC000550331229 946605067 /nfs/dbraw/zinc/60/50/67/946605067.db2.gz REEURUWMXYDRHD-UHFFFAOYSA-N 1 1 363.795 3.950 20 30 FHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1c(F)cccc1F ZINC000550331229 946605078 /nfs/dbraw/zinc/60/50/78/946605078.db2.gz REEURUWMXYDRHD-UHFFFAOYSA-N 1 1 363.795 3.950 20 30 FHEDMO COc1ccc(C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)cc1 ZINC000020951777 946627709 /nfs/dbraw/zinc/62/77/09/946627709.db2.gz XBGRBUJYUKBCIJ-UHFFFAOYSA-N 1 1 363.461 3.606 20 30 FHEDMO COc1ccc(C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)cc1 ZINC000020951777 946627720 /nfs/dbraw/zinc/62/77/20/946627720.db2.gz XBGRBUJYUKBCIJ-UHFFFAOYSA-N 1 1 363.461 3.606 20 30 FHEDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192832108 946701069 /nfs/dbraw/zinc/70/10/69/946701069.db2.gz IIFVAWGBPJTBEI-JENIJYKNSA-N 1 1 358.505 3.701 20 30 FHEDMO C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867265 946743931 /nfs/dbraw/zinc/74/39/31/946743931.db2.gz WOKAPLNCFCNGCO-NRFANRHFSA-N 1 1 366.505 3.922 20 30 FHEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000475350872 946924981 /nfs/dbraw/zinc/92/49/81/946924981.db2.gz DZPFBZAYJNSGKO-HXUWFJFHSA-N 1 1 367.880 3.657 20 30 FHEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000067371529 946935450 /nfs/dbraw/zinc/93/54/50/946935450.db2.gz FZGWGLBHPMBGLJ-UHFFFAOYSA-N 1 1 354.885 3.955 20 30 FHEDMO C[N@@H+](CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C1CC1 ZINC000066924272 946942429 /nfs/dbraw/zinc/94/24/29/946942429.db2.gz YTVFKYATPQEXFR-UHFFFAOYSA-N 1 1 365.502 3.675 20 30 FHEDMO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328661418 946971149 /nfs/dbraw/zinc/97/11/49/946971149.db2.gz WQQIGVVMISXOFN-LMMKCTJWSA-N 1 1 358.530 3.934 20 30 FHEDMO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328664649 946972307 /nfs/dbraw/zinc/97/23/07/946972307.db2.gz YPSKADQOPLCDAD-SJORKVTESA-N 1 1 371.481 3.880 20 30 FHEDMO O=C(NCc1nc(C2CC2)cs1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000328597323 946976161 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C=CCCCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000471700762 932644401 /nfs/dbraw/zinc/64/44/01/932644401.db2.gz LQNZFPHLZPPWHB-GOSISDBHSA-N 1 1 354.416 3.914 20 30 FHEDMO C=CCOc1ccc(C[N@H+](Cc2cnc3n2CCOC3)C(C)(C)C)cc1 ZINC000891512687 932684297 /nfs/dbraw/zinc/68/42/97/932684297.db2.gz UVHJJBZHTCARIG-UHFFFAOYSA-N 1 1 355.482 3.779 20 30 FHEDMO CC1(C)CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H]1c1ccccc1 ZINC000933513144 932753889 /nfs/dbraw/zinc/75/38/89/932753889.db2.gz NXKHLGCWFYLTPC-UXHICEINSA-N 1 1 356.510 3.573 20 30 FHEDMO N#CCC1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000430688409 932960786 /nfs/dbraw/zinc/96/07/86/932960786.db2.gz XIOGHBAXJSDSCA-SFHVURJKSA-N 1 1 374.916 3.688 20 30 FHEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000135352304 933045445 /nfs/dbraw/zinc/04/54/45/933045445.db2.gz NUQYDBGHMDRLKZ-APWZRJJASA-N 1 1 365.481 3.583 20 30 FHEDMO C[C@@H]1C[NH+](Cc2ccccc2NCc2cc(C#N)ccc2F)C[C@@H](C)O1 ZINC000178297986 933071422 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/nfs/dbraw/zinc/93/47/77/934934777.db2.gz DYVZGLMZBVLFJH-GOSISDBHSA-N 1 1 363.461 3.731 20 30 FHEDMO N#Cc1c(NC(=O)CC[N@@H+](CC(F)F)CC2CCC2)sc2c1CCC2 ZINC000536418397 934980165 /nfs/dbraw/zinc/98/01/65/934980165.db2.gz ALIWFLFYVQYWRE-UHFFFAOYSA-N 1 1 367.465 3.804 20 30 FHEDMO N#Cc1c(NC(=O)CC[N@H+](CC(F)F)CC2CCC2)sc2c1CCC2 ZINC000536418397 934980168 /nfs/dbraw/zinc/98/01/68/934980168.db2.gz ALIWFLFYVQYWRE-UHFFFAOYSA-N 1 1 367.465 3.804 20 30 FHEDMO C=CCCn1cc(CNCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nn1 ZINC000657311629 935105502 /nfs/dbraw/zinc/10/55/02/935105502.db2.gz PTSGNIRFDFPLKO-SFHVURJKSA-N 1 1 353.514 3.518 20 30 FHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C12CCCCC2 ZINC001167538310 935150255 /nfs/dbraw/zinc/15/02/55/935150255.db2.gz BDVKZHQHSBVTTL-RTBURBONSA-N 1 1 355.482 3.556 20 30 FHEDMO C[N@H+](Cc1cccc2ccccc21)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000051404168 935178170 /nfs/dbraw/zinc/17/81/70/935178170.db2.gz FTIUYEFXNPSPRX-OAQYLSRUSA-N 1 1 360.457 3.778 20 30 FHEDMO C=CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(OC)cc1 ZINC000438833216 945084517 /nfs/dbraw/zinc/08/45/17/945084517.db2.gz GYRYPGZSKTYQES-UHFFFAOYSA-N 1 1 360.404 3.990 20 30 FHEDMO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@@H]1CCCOC1 ZINC000119791597 935222942 /nfs/dbraw/zinc/22/29/42/935222942.db2.gz ZTDUSOMKZDQLMG-NRFANRHFSA-N 1 1 350.462 3.996 20 30 FHEDMO CC(C)OCC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472158217 935234715 /nfs/dbraw/zinc/23/47/15/935234715.db2.gz PZOCYOYKNQCFAC-JOCHJYFZSA-N 1 1 370.468 3.876 20 30 FHEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)CCOC(C)C ZINC000472161494 935247523 /nfs/dbraw/zinc/24/75/23/935247523.db2.gz LYVRLVROFYNECH-MRXNPFEDSA-N 1 1 374.294 3.752 20 30 FHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)CCOC(C)C ZINC000472161494 935247526 /nfs/dbraw/zinc/24/75/26/935247526.db2.gz LYVRLVROFYNECH-MRXNPFEDSA-N 1 1 374.294 3.752 20 30 FHEDMO C#CC[C@H](NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000366752606 945088671 /nfs/dbraw/zinc/08/86/71/945088671.db2.gz AXJABLOZBREAPO-HBFSDRIKSA-N 1 1 367.518 3.805 20 30 FHEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](CCCC#N)c3ccccc3)C2)C1 ZINC000458854172 945089469 /nfs/dbraw/zinc/08/94/69/945089469.db2.gz XBOHXRPWTYMVEU-TZIWHRDSSA-N 1 1 354.498 3.549 20 30 FHEDMO N#Cc1csc(C[NH+]2CCN(c3cccc(Br)c3)CC2)c1 ZINC000551585189 935313827 /nfs/dbraw/zinc/31/38/27/935313827.db2.gz ATZNNRTXRVRLKN-UHFFFAOYSA-N 1 1 362.296 3.704 20 30 FHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C)Cc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000187756555 935475191 /nfs/dbraw/zinc/47/51/91/935475191.db2.gz UFEDKTZXOKADHI-NRFANRHFSA-N 1 1 374.431 3.839 20 30 FHEDMO C[C@]12C[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000582281891 935485861 /nfs/dbraw/zinc/48/58/61/935485861.db2.gz LIKPAOCGHMPAKA-IWLVTHKOSA-N 1 1 361.493 3.727 20 30 FHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC001167562666 935513739 /nfs/dbraw/zinc/51/37/39/935513739.db2.gz ORUGJJGGOKVGEF-MAUKXSAKSA-N 1 1 373.497 3.692 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000178572175 935592739 /nfs/dbraw/zinc/59/27/39/935592739.db2.gz UPGKOXWYENGTTL-MRXNPFEDSA-N 1 1 368.506 3.962 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000178567789 935627632 /nfs/dbraw/zinc/62/76/32/935627632.db2.gz FMXSFKFANOQCQN-KRWDZBQOSA-N 1 1 362.477 3.995 20 30 FHEDMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCC(C)(C)CC1 ZINC000127611891 935654405 /nfs/dbraw/zinc/65/44/05/935654405.db2.gz VYOSGCVGAIKGKX-UHFFFAOYSA-N 1 1 365.481 3.583 20 30 FHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)Oc3ccccc3C#N)c2C1 ZINC000158281078 935683663 /nfs/dbraw/zinc/68/36/63/935683663.db2.gz DTESXKKASGKVCD-INIZCTEOSA-N 1 1 363.461 3.936 20 30 FHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)Cc2cc(C#N)cs2)C1 ZINC000892260719 935685445 /nfs/dbraw/zinc/68/54/45/935685445.db2.gz QMBSEYKONWQTNZ-QAPCUYQASA-N 1 1 368.506 3.597 20 30 FHEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCC(=O)Nc1sccc1C#N)CCC2 ZINC000152580539 935757119 /nfs/dbraw/zinc/75/71/19/935757119.db2.gz PHRYFSVZPOMZRS-CQSZACIVSA-N 1 1 374.535 3.977 20 30 FHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611670548 935891638 /nfs/dbraw/zinc/89/16/38/935891638.db2.gz CHXVOAOWCZAYLV-OXQOHEQNSA-N 1 1 369.490 3.526 20 30 FHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611670548 935891642 /nfs/dbraw/zinc/89/16/42/935891642.db2.gz CHXVOAOWCZAYLV-OXQOHEQNSA-N 1 1 369.490 3.526 20 30 FHEDMO C=CCn1c(CCCC)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000582634351 935896671 /nfs/dbraw/zinc/89/66/71/935896671.db2.gz QETGMQFAJPKNHL-UHFFFAOYSA-N 1 1 368.529 3.724 20 30 FHEDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000472248513 935983162 /nfs/dbraw/zinc/98/31/62/935983162.db2.gz XAJWCZMOFJJROT-HNNXBMFYSA-N 1 1 361.452 3.829 20 30 FHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(F)c(F)c1 ZINC000187765550 936005486 /nfs/dbraw/zinc/00/54/86/936005486.db2.gz HUJOSJQGMAJXOB-SFHVURJKSA-N 1 1 359.376 3.892 20 30 FHEDMO Fc1ccc(C(F)(F)F)cc1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000657550223 936009388 /nfs/dbraw/zinc/00/93/88/936009388.db2.gz MQHVBMOFEBIJQV-UHFFFAOYSA-N 1 1 353.241 3.943 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@H+](CCc3cccc(F)c3)C3CC3)o2)c1 ZINC000075743824 936011571 /nfs/dbraw/zinc/01/15/71/936011571.db2.gz BOUFANOTKQBXJL-UHFFFAOYSA-N 1 1 362.408 3.954 20 30 FHEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)o2)cc1 ZINC000075748355 936011610 /nfs/dbraw/zinc/01/16/10/936011610.db2.gz LEKDKHZECLXXAN-GOSISDBHSA-N 1 1 362.458 3.898 20 30 FHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCS[C@@H](c4ccccc4)C3)o2)cc1 ZINC000075748355 936011612 /nfs/dbraw/zinc/01/16/12/936011612.db2.gz LEKDKHZECLXXAN-GOSISDBHSA-N 1 1 362.458 3.898 20 30 FHEDMO C[NH+]1CCC(C/N=C\c2c(O)ccc3ccccc32)(N2CCCCC2)CC1 ZINC000255547908 936084732 /nfs/dbraw/zinc/08/47/32/936084732.db2.gz YAAQSNDCYYDAJG-ULJHMMPZSA-N 1 1 365.521 3.915 20 30 FHEDMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528606 936097341 /nfs/dbraw/zinc/09/73/41/936097341.db2.gz IMBLWZRQHCNYDU-CQSZACIVSA-N 1 1 371.868 3.988 20 30 FHEDMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528606 936097343 /nfs/dbraw/zinc/09/73/43/936097343.db2.gz IMBLWZRQHCNYDU-CQSZACIVSA-N 1 1 371.868 3.988 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(C)Cc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000187769587 936164147 /nfs/dbraw/zinc/16/41/47/936164147.db2.gz KOTHJFIPOHMNEL-OAQYLSRUSA-N 1 1 374.431 3.839 20 30 FHEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438848394 945152062 /nfs/dbraw/zinc/15/20/62/945152062.db2.gz HRPAMCRGTSZXIO-VQTJNVASSA-N 1 1 356.514 3.985 20 30 FHEDMO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c(O)c(OC)c1 ZINC000178885941 938262680 /nfs/dbraw/zinc/26/26/80/938262680.db2.gz IWHRJSWAXQPETF-HXUWFJFHSA-N 1 1 357.425 3.842 20 30 FHEDMO C=CCc1cc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c(O)c(OC)c1 ZINC000178885941 938262682 /nfs/dbraw/zinc/26/26/82/938262682.db2.gz IWHRJSWAXQPETF-HXUWFJFHSA-N 1 1 357.425 3.842 20 30 FHEDMO O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329137306 938266384 /nfs/dbraw/zinc/26/63/84/938266384.db2.gz DEGAYWDIMQQXRN-CQSZACIVSA-N 1 1 364.873 3.627 20 30 FHEDMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)C1 ZINC000329189680 938284469 /nfs/dbraw/zinc/28/44/69/938284469.db2.gz RPCYNCRVOSDJRK-PMACEKPBSA-N 1 1 371.525 3.739 20 30 FHEDMO C=CC[C@H](C)NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245648849 938309392 /nfs/dbraw/zinc/30/93/92/938309392.db2.gz BWWJBGACWBLPHG-QEORTHHSSA-N 1 1 353.869 3.736 20 30 FHEDMO Cc1nc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000329272257 938309802 /nfs/dbraw/zinc/30/98/02/938309802.db2.gz AEDLHJAQDUTHBL-VNHYZAJKSA-N 1 1 350.532 3.669 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000245696827 938311398 /nfs/dbraw/zinc/31/13/98/938311398.db2.gz BDWZIRQQVOUJLW-PMPSAXMXSA-N 1 1 358.511 3.639 20 30 FHEDMO CC[N@@H+](CCNC(=O)c1ccc(F)cc1C(F)(F)F)CCC(F)(F)F ZINC000427202689 945173333 /nfs/dbraw/zinc/17/33/33/945173333.db2.gz DDGNSLMTUBGHOD-UHFFFAOYSA-N 1 1 374.300 3.849 20 30 FHEDMO C[NH+](C)[C@@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccccc1 ZINC000178997545 938465721 /nfs/dbraw/zinc/46/57/21/938465721.db2.gz UPZMRHCTPSMXFD-GOSISDBHSA-N 1 1 362.458 3.923 20 30 FHEDMO C=CC[N@H+](Cc1cccs1)Cc1cc2c(cc1OCCOC)OCO2 ZINC000506004976 945180720 /nfs/dbraw/zinc/18/07/20/945180720.db2.gz MABMCJFJKARFMM-UHFFFAOYSA-N 1 1 361.463 3.690 20 30 FHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc2c(cc1OCCOC)OCO2 ZINC000506004976 945180724 /nfs/dbraw/zinc/18/07/24/945180724.db2.gz MABMCJFJKARFMM-UHFFFAOYSA-N 1 1 361.463 3.690 20 30 FHEDMO CC[N@@H+](C[C@H](O)COCc1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340455 938532427 /nfs/dbraw/zinc/53/24/27/938532427.db2.gz DTXANYBIGFQYFT-JXFKEZNVSA-N 1 1 356.441 3.658 20 30 FHEDMO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000329674713 938603227 /nfs/dbraw/zinc/60/32/27/938603227.db2.gz VNEVXWCFZAFKNN-OHQAAIJDSA-N 1 1 355.482 3.629 20 30 FHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000077498330 938610904 /nfs/dbraw/zinc/61/09/04/938610904.db2.gz RIORQIAZXPDSMD-KSSFIOAISA-N 1 1 352.413 3.654 20 30 FHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000052931229 938662996 /nfs/dbraw/zinc/66/29/96/938662996.db2.gz FIPBECBXFGEDPT-JOCHJYFZSA-N 1 1 373.500 3.963 20 30 FHEDMO Oc1ccc(Cl)cc1/C=N\C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000588592101 938673724 /nfs/dbraw/zinc/67/37/24/938673724.db2.gz RTAGTIWTETVHNS-JJUBJSHISA-N 1 1 358.869 3.756 20 30 FHEDMO C[N@H+]1CC[C@H](CNC(=O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000278768746 938851416 /nfs/dbraw/zinc/85/14/16/938851416.db2.gz OGVWMBJYFVOQQC-CXAGYDPISA-N 1 1 351.853 3.528 20 30 FHEDMO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000092149028 938905958 /nfs/dbraw/zinc/90/59/58/938905958.db2.gz HUZJEGOETOHRFN-UHFFFAOYSA-N 1 1 356.491 3.661 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000092149028 938905960 /nfs/dbraw/zinc/90/59/60/938905960.db2.gz HUZJEGOETOHRFN-UHFFFAOYSA-N 1 1 356.491 3.661 20 30 FHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000480400599 938909938 /nfs/dbraw/zinc/90/99/38/938909938.db2.gz CXAICASPUCGARK-IBGZPJMESA-N 1 1 368.481 3.622 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@H]1C ZINC000458801079 938944954 /nfs/dbraw/zinc/94/49/54/938944954.db2.gz MJVCSJREIVVBFA-YZGWKJHDSA-N 1 1 356.514 3.936 20 30 FHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458802714 938959900 /nfs/dbraw/zinc/95/99/00/938959900.db2.gz PWJGSWCEBZWJLM-FPOVZHCZSA-N 1 1 368.525 3.795 20 30 FHEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@H]1c1cccc(F)c1 ZINC000472327415 938970946 /nfs/dbraw/zinc/97/09/46/938970946.db2.gz LRUITVSBZWJVIB-QFIXIFRTSA-N 1 1 354.425 3.520 20 30 FHEDMO CCc1c(C)sc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001125718266 938977401 /nfs/dbraw/zinc/97/74/01/938977401.db2.gz VXMVNFXJZCVKHU-MRXNPFEDSA-N 1 1 353.491 3.951 20 30 FHEDMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000139993727 938986725 /nfs/dbraw/zinc/98/67/25/938986725.db2.gz VAOKRAOKGQHVJM-LJQANCHMSA-N 1 1 355.482 3.565 20 30 FHEDMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000139993727 938986726 /nfs/dbraw/zinc/98/67/26/938986726.db2.gz VAOKRAOKGQHVJM-LJQANCHMSA-N 1 1 355.482 3.565 20 30 FHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000685442366 938986777 /nfs/dbraw/zinc/98/67/77/938986777.db2.gz RPRQDPGIJLFKMU-UHFFFAOYSA-N 1 1 367.449 3.749 20 30 FHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000685442366 938986778 /nfs/dbraw/zinc/98/67/78/938986778.db2.gz RPRQDPGIJLFKMU-UHFFFAOYSA-N 1 1 367.449 3.749 20 30 FHEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000544070050 938991982 /nfs/dbraw/zinc/99/19/82/938991982.db2.gz DEXFIDHCUKKJMQ-NRFANRHFSA-N 1 1 362.477 3.929 20 30 FHEDMO CC1(C)CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000179237580 938996473 /nfs/dbraw/zinc/99/64/73/938996473.db2.gz CAFZWJWIDRBBQQ-FQEVSTJZSA-N 1 1 353.510 3.809 20 30 FHEDMO CC1(C)CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000179237580 938996474 /nfs/dbraw/zinc/99/64/74/938996474.db2.gz CAFZWJWIDRBBQQ-FQEVSTJZSA-N 1 1 353.510 3.809 20 30 FHEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000780514084 938996977 /nfs/dbraw/zinc/99/69/77/938996977.db2.gz AKEXPJVNRKLPFR-SFHVURJKSA-N 1 1 366.427 3.980 20 30 FHEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCCc3nc(C#N)ccc32)cc1)C(C)C ZINC000892406867 939000217 /nfs/dbraw/zinc/00/02/17/939000217.db2.gz RKZHBAVJSRKZHJ-UHFFFAOYSA-N 1 1 362.477 3.777 20 30 FHEDMO N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612037652 939023334 /nfs/dbraw/zinc/02/33/34/939023334.db2.gz YUVCUVDNQNBLFH-ILWGZMRPSA-N 1 1 374.488 3.980 20 30 FHEDMO N#Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 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TXNIJSRIXYMPQM-SJLPKXTDSA-N 1 1 365.481 3.542 20 30 FHEDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000375797013 939903884 /nfs/dbraw/zinc/90/38/84/939903884.db2.gz TXNIJSRIXYMPQM-SJLPKXTDSA-N 1 1 365.481 3.542 20 30 FHEDMO N#Cc1ccnc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)c1 ZINC000413611488 939937547 /nfs/dbraw/zinc/93/75/47/939937547.db2.gz DNBHIXYQWOUPOW-UHFFFAOYSA-N 1 1 371.282 3.792 20 30 FHEDMO CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000364536076 939960189 /nfs/dbraw/zinc/96/01/89/939960189.db2.gz HVGUIFRJPIIAMB-AWEZNQCLSA-N 1 1 352.438 3.547 20 30 FHEDMO N#Cc1ccc(C[NH+]2CCC(c3nccc(C(F)(F)F)n3)CC2)c(F)c1 ZINC000364795369 940005303 /nfs/dbraw/zinc/00/53/03/940005303.db2.gz YDRKQWLIWHGXJU-UHFFFAOYSA-N 1 1 364.346 3.886 20 30 FHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCc2cccnc21 ZINC000364998551 940041456 /nfs/dbraw/zinc/04/14/56/940041456.db2.gz MMXYJHNYMWSLQT-INIZCTEOSA-N 1 1 354.479 3.743 20 30 FHEDMO Cc1ccc(OCC[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000179891487 940084417 /nfs/dbraw/zinc/08/44/17/940084417.db2.gz SYNIWYPDNLSBFW-UHFFFAOYSA-N 1 1 360.461 3.778 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCCc2occc2C1 ZINC000588985591 940110517 /nfs/dbraw/zinc/11/05/17/940110517.db2.gz WYRVSUXACZHMGS-OAHLLOKOSA-N 1 1 355.413 3.502 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCCc2occc2C1 ZINC000588985591 940110519 /nfs/dbraw/zinc/11/05/19/940110519.db2.gz WYRVSUXACZHMGS-OAHLLOKOSA-N 1 1 355.413 3.502 20 30 FHEDMO C[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(C#N)cc1 ZINC000548936219 940112333 /nfs/dbraw/zinc/11/23/33/940112333.db2.gz NVXVXWRXTNRBEW-CYBMUJFWSA-N 1 1 362.458 3.631 20 30 FHEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000413825984 940155559 /nfs/dbraw/zinc/15/55/59/940155559.db2.gz HCGJFTLOXWSCFM-FQEVSTJZSA-N 1 1 366.509 3.572 20 30 FHEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000612588047 940164540 /nfs/dbraw/zinc/16/45/40/940164540.db2.gz NLBPDGCTQDAZFD-QGZVFWFLSA-N 1 1 367.880 3.854 20 30 FHEDMO Cn1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180029587 940277498 /nfs/dbraw/zinc/27/74/98/940277498.db2.gz IPXYVIIDJPZULQ-KRWDZBQOSA-N 1 1 363.490 3.795 20 30 FHEDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000376129514 940345453 /nfs/dbraw/zinc/34/54/53/940345453.db2.gz LHFPVENMLMOENT-ZWKOTPCHSA-N 1 1 357.816 3.526 20 30 FHEDMO C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000376129514 940345456 /nfs/dbraw/zinc/34/54/56/940345456.db2.gz LHFPVENMLMOENT-ZWKOTPCHSA-N 1 1 357.816 3.526 20 30 FHEDMO Cn1cc(CNC[C@H](C2CCCCC2)[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180054031 940348143 /nfs/dbraw/zinc/34/81/43/940348143.db2.gz YHIDQCSHICHWJU-OAQYLSRUSA-N 1 1 365.525 3.559 20 30 FHEDMO CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000180083557 940441746 /nfs/dbraw/zinc/44/17/46/940441746.db2.gz XQXAPBCXPGTBGI-FQEVSTJZSA-N 1 1 352.482 3.740 20 30 FHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000580054391 940444468 /nfs/dbraw/zinc/44/44/68/940444468.db2.gz PDNZOFFLJKXCIJ-NRFANRHFSA-N 1 1 366.509 3.596 20 30 FHEDMO N#Cc1cc(F)cc(C2(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)c1 ZINC000580475307 940476265 /nfs/dbraw/zinc/47/62/65/940476265.db2.gz NWJXGOPBXQJHAX-HXUWFJFHSA-N 1 1 369.484 3.642 20 30 FHEDMO C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC12CCCCC2 ZINC000613188786 940480807 /nfs/dbraw/zinc/48/08/07/940480807.db2.gz DSVUFKGWYVRAIM-AZUAARDMSA-N 1 1 356.510 3.785 20 30 FHEDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000581101467 940493624 /nfs/dbraw/zinc/49/36/24/940493624.db2.gz IDXDZVXWSSMGIX-DNVCBOLYSA-N 1 1 366.440 3.872 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1C ZINC000173365934 940618734 /nfs/dbraw/zinc/61/87/34/940618734.db2.gz OYNMKFRMYGTWGM-SFHVURJKSA-N 1 1 365.477 3.949 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1C ZINC000173365934 940618737 /nfs/dbraw/zinc/61/87/37/940618737.db2.gz OYNMKFRMYGTWGM-SFHVURJKSA-N 1 1 365.477 3.949 20 30 FHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000581828711 940619925 /nfs/dbraw/zinc/61/99/25/940619925.db2.gz NBAYOVDMIKHHJB-UXHICEINSA-N 1 1 360.461 3.884 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001125979047 945335113 /nfs/dbraw/zinc/33/51/13/945335113.db2.gz DHTWKJSPQWLTRA-CQSZACIVSA-N 1 1 363.446 3.771 20 30 FHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C ZINC000582391004 940668944 /nfs/dbraw/zinc/66/89/44/940668944.db2.gz JORFTUYEPSYBGM-DLBZAZTESA-N 1 1 363.889 3.676 20 30 FHEDMO CN1C(=O)CC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000329972694 940771613 /nfs/dbraw/zinc/77/16/13/940771613.db2.gz WIMGSGUQDZISQM-IBGZPJMESA-N 1 1 357.498 3.528 20 30 FHEDMO Cn1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180200848 940802110 /nfs/dbraw/zinc/80/21/10/940802110.db2.gz GBCJGFYEUHRNMT-OAQYLSRUSA-N 1 1 364.493 3.882 20 30 FHEDMO CC[C@](C)(NCC#CC[NH2+][C@@](C)(CC)c1nccs1)c1nccs1 ZINC000472572512 940877966 /nfs/dbraw/zinc/87/79/66/940877966.db2.gz AJXISWZXQCOKAW-ROUUACIJSA-N 1 1 362.568 3.733 20 30 FHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000180282397 940917483 /nfs/dbraw/zinc/91/74/83/940917483.db2.gz FRJFNOCURDAXSK-TWKFVSLJSA-N 1 1 356.491 3.908 20 30 FHEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000180419814 941009751 /nfs/dbraw/zinc/00/97/51/941009751.db2.gz OCVOPUYTBDOGHZ-JTQLQIEISA-N 1 1 354.351 3.924 20 30 FHEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)cc(OC(F)(F)F)c2)C1 ZINC001143472668 941032173 /nfs/dbraw/zinc/03/21/73/941032173.db2.gz SNQIJYXAPVFIQU-HNNXBMFYSA-N 1 1 372.387 3.770 20 30 FHEDMO Cc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1C(F)(F)F ZINC000414366035 941055538 /nfs/dbraw/zinc/05/55/38/941055538.db2.gz AOZNSCPNCCPZDX-UHFFFAOYSA-N 1 1 360.383 3.603 20 30 FHEDMO COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000177013398 941093136 /nfs/dbraw/zinc/09/31/36/941093136.db2.gz JJLAPWYDFZRPJA-ZDUSSCGKSA-N 1 1 357.479 3.877 20 30 FHEDMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000177013398 941093138 /nfs/dbraw/zinc/09/31/38/941093138.db2.gz JJLAPWYDFZRPJA-ZDUSSCGKSA-N 1 1 357.479 3.877 20 30 FHEDMO O=C1C[C@H](c2ccccc2)[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCN1 ZINC000177040794 941095483 /nfs/dbraw/zinc/09/54/83/941095483.db2.gz ZYQDWZAFLBILED-LJQANCHMSA-N 1 1 372.390 3.620 20 30 FHEDMO O=C1C[C@H](c2ccccc2)[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCN1 ZINC000177040794 941095486 /nfs/dbraw/zinc/09/54/86/941095486.db2.gz ZYQDWZAFLBILED-LJQANCHMSA-N 1 1 372.390 3.620 20 30 FHEDMO O=C(CC1CCCC1)NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177155693 941105496 /nfs/dbraw/zinc/10/54/96/941105496.db2.gz AXDUXKYFSZLOJQ-UHFFFAOYSA-N 1 1 358.913 3.852 20 30 FHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1Br ZINC000181121554 941109973 /nfs/dbraw/zinc/10/99/73/941109973.db2.gz COJYDTPOPZFNBD-INIZCTEOSA-N 1 1 350.304 3.627 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188992804 941140913 /nfs/dbraw/zinc/14/09/13/941140913.db2.gz OZTGILFODQIVRS-IBGZPJMESA-N 1 1 373.500 3.713 20 30 FHEDMO C[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(C#N)cc1Cl ZINC000376568437 941157946 /nfs/dbraw/zinc/15/79/46/941157946.db2.gz CLTKWSFTINRFFK-SCLBCKFNSA-N 1 1 369.852 3.502 20 30 FHEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659330791 941165631 /nfs/dbraw/zinc/16/56/31/941165631.db2.gz AWQOBKSWEDYFLO-JQWIXIFHSA-N 1 1 369.328 3.979 20 30 FHEDMO N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311357805 941248334 /nfs/dbraw/zinc/24/83/34/941248334.db2.gz DWTOPUMKBMTEGC-GOSISDBHSA-N 1 1 350.422 3.791 20 30 FHEDMO C=CCN(CC)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376588898 941259617 /nfs/dbraw/zinc/25/96/17/941259617.db2.gz OTKYJCNPZQLPNX-LJQANCHMSA-N 1 1 367.497 3.678 20 30 FHEDMO C=CCC1(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)CCC1 ZINC000188073273 941341026 /nfs/dbraw/zinc/34/10/26/941341026.db2.gz AFJCFEJPOHPGMH-IBGZPJMESA-N 1 1 369.509 3.538 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC(C)(C)CCC#N)cc1 ZINC000376654923 941372748 /nfs/dbraw/zinc/37/27/48/941372748.db2.gz BBPVILXITOLTFB-OAHLLOKOSA-N 1 1 353.470 3.871 20 30 FHEDMO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000376708128 941385322 /nfs/dbraw/zinc/38/53/22/941385322.db2.gz YYIMEBGPBLXDSU-IEBWSBKVSA-N 1 1 356.514 3.669 20 30 FHEDMO C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000376901498 941459533 /nfs/dbraw/zinc/45/95/33/941459533.db2.gz DVLPSBWPIKEDKC-DLBZAZTESA-N 1 1 362.905 3.714 20 30 FHEDMO C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000376901498 941459538 /nfs/dbraw/zinc/45/95/38/941459538.db2.gz DVLPSBWPIKEDKC-DLBZAZTESA-N 1 1 362.905 3.714 20 30 FHEDMO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000135637104 941540717 /nfs/dbraw/zinc/54/07/17/941540717.db2.gz BUARVWLOPRLTLU-KRWDZBQOSA-N 1 1 363.383 3.680 20 30 FHEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000135637104 941540719 /nfs/dbraw/zinc/54/07/19/941540719.db2.gz BUARVWLOPRLTLU-KRWDZBQOSA-N 1 1 363.383 3.680 20 30 FHEDMO Cc1ccc(C#N)cc1NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472729420 941640842 /nfs/dbraw/zinc/64/08/42/941640842.db2.gz OUBNBPIWLVHJFN-KRWDZBQOSA-N 1 1 350.466 3.899 20 30 FHEDMO CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472731888 941644834 /nfs/dbraw/zinc/64/48/34/941644834.db2.gz UTEPJDSKFRYMGA-IBGZPJMESA-N 1 1 366.440 3.826 20 30 FHEDMO C=CCC[C@@H](O)C[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000472757487 941689522 /nfs/dbraw/zinc/68/95/22/941689522.db2.gz VMPYQFJVJKJGKQ-GOSISDBHSA-N 1 1 356.432 3.540 20 30 FHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000052931227 941739831 /nfs/dbraw/zinc/73/98/31/941739831.db2.gz FIPBECBXFGEDPT-QFIPXVFZSA-N 1 1 373.500 3.963 20 30 FHEDMO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000377466339 941748410 /nfs/dbraw/zinc/74/84/10/941748410.db2.gz XVYQPDVNYMTEKJ-OGWHTMIXSA-N 1 1 362.539 3.619 20 30 FHEDMO Cn1cc(C[N@H+]2CCC=C(c3ccncc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000513197099 941771191 /nfs/dbraw/zinc/77/11/91/941771191.db2.gz TZPBKEFCFYDCIT-UHFFFAOYSA-N 1 1 355.445 3.643 20 30 FHEDMO C=C(C)Cn1c(C)nnc1N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000549262291 941787195 /nfs/dbraw/zinc/78/71/95/941787195.db2.gz LEXUJSKRTXQQHF-HNNXBMFYSA-N 1 1 359.905 3.699 20 30 FHEDMO CCc1ccc([C@@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)cc1 ZINC000513360842 941868365 /nfs/dbraw/zinc/86/83/65/941868365.db2.gz FTLXCQYLRUKZOA-JOCHJYFZSA-N 1 1 361.489 3.616 20 30 FHEDMO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000513387155 941884576 /nfs/dbraw/zinc/88/45/76/941884576.db2.gz WPBBMOLIFCOSCI-SFHVURJKSA-N 1 1 361.445 3.863 20 30 FHEDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000513387155 941884582 /nfs/dbraw/zinc/88/45/82/941884582.db2.gz WPBBMOLIFCOSCI-SFHVURJKSA-N 1 1 361.445 3.863 20 30 FHEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000513396347 941890366 /nfs/dbraw/zinc/89/03/66/941890366.db2.gz DFFIUOIHFFDRKH-IBGZPJMESA-N 1 1 367.880 3.535 20 30 FHEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000513396347 941890371 /nfs/dbraw/zinc/89/03/71/941890371.db2.gz DFFIUOIHFFDRKH-IBGZPJMESA-N 1 1 367.880 3.535 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C2Cc3ccccc3C2)c1 ZINC000513415025 941912029 /nfs/dbraw/zinc/91/20/29/941912029.db2.gz HPHISEYZYDSTMT-UHFFFAOYSA-N 1 1 361.489 3.649 20 30 FHEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(C#N)ccc1Cl ZINC000513415291 941912636 /nfs/dbraw/zinc/91/26/36/941912636.db2.gz IUSYYBUBIYUDOZ-HNNXBMFYSA-N 1 1 353.853 3.558 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(C#N)ccc1Cl ZINC000513415291 941912640 /nfs/dbraw/zinc/91/26/40/941912640.db2.gz IUSYYBUBIYUDOZ-HNNXBMFYSA-N 1 1 353.853 3.558 20 30 FHEDMO N#C[C@@H]1C[N@@H+](Cc2csc3ccccc23)C[C@@]12C(=O)Nc1ccccc12 ZINC000513658824 942060339 /nfs/dbraw/zinc/06/03/39/942060339.db2.gz BQJRCWSLJNAETI-QVKFZJNVSA-N 1 1 359.454 3.747 20 30 FHEDMO N#C[C@@H]1C[N@H+](Cc2csc3ccccc23)C[C@@]12C(=O)Nc1ccccc12 ZINC000513658824 942060343 /nfs/dbraw/zinc/06/03/43/942060343.db2.gz BQJRCWSLJNAETI-QVKFZJNVSA-N 1 1 359.454 3.747 20 30 FHEDMO Cc1cc(C#N)cnc1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000549366539 942064956 /nfs/dbraw/zinc/06/49/56/942064956.db2.gz SCPMHCWMIFGJOH-KRWDZBQOSA-N 1 1 362.477 3.566 20 30 FHEDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2cc(C#N)n(C)c2)cc1 ZINC000280378503 942171701 /nfs/dbraw/zinc/17/17/01/942171701.db2.gz VVUMMUTWGRHKAO-UHFFFAOYSA-N 1 1 360.461 3.545 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280737652 942242277 /nfs/dbraw/zinc/24/22/77/942242277.db2.gz WMKOHQQNAIZCNZ-QAPCUYQASA-N 1 1 351.450 3.585 20 30 FHEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000420923844 942256436 /nfs/dbraw/zinc/25/64/36/942256436.db2.gz IOSRVIMZWLSVIT-SJORKVTESA-N 1 1 350.503 3.529 20 30 FHEDMO N#CC1(c2ccc(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000179875845 942297228 /nfs/dbraw/zinc/29/72/28/942297228.db2.gz DOAVIQMZMJSTIE-NRFANRHFSA-N 1 1 359.473 3.636 20 30 FHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000122872335 942312220 /nfs/dbraw/zinc/31/22/20/942312220.db2.gz WLZPDGXHKUAMQS-ZDUSSCGKSA-N 1 1 372.266 3.952 20 30 FHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000122872335 942312223 /nfs/dbraw/zinc/31/22/23/942312223.db2.gz WLZPDGXHKUAMQS-ZDUSSCGKSA-N 1 1 372.266 3.952 20 30 FHEDMO C=C(C)[C@@H](NC(=O)NCCCCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000188122720 942341425 /nfs/dbraw/zinc/34/14/25/942341425.db2.gz GVFVYDAWMUWMTD-GOSISDBHSA-N 1 1 362.424 3.867 20 30 FHEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000501208110 942352033 /nfs/dbraw/zinc/35/20/33/942352033.db2.gz XSZAIQOGTVDTII-SFHVURJKSA-N 1 1 352.409 3.801 20 30 FHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000501208110 942352039 /nfs/dbraw/zinc/35/20/39/942352039.db2.gz XSZAIQOGTVDTII-SFHVURJKSA-N 1 1 352.409 3.801 20 30 FHEDMO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000501207182 942352065 /nfs/dbraw/zinc/35/20/65/942352065.db2.gz VIUJAEMHDUMGLG-UHFFFAOYSA-N 1 1 370.399 3.940 20 30 FHEDMO C=CCCC[N@H+]1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000502327062 942356858 /nfs/dbraw/zinc/35/68/58/942356858.db2.gz RMGIZMGENZJRSJ-FQEVSTJZSA-N 1 1 355.482 3.837 20 30 FHEDMO C=CCCC[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000502327062 942356860 /nfs/dbraw/zinc/35/68/60/942356860.db2.gz RMGIZMGENZJRSJ-FQEVSTJZSA-N 1 1 355.482 3.837 20 30 FHEDMO Cc1ncoc1C[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001141052720 942365212 /nfs/dbraw/zinc/36/52/12/942365212.db2.gz DZFYJDHGGLISIV-UHFFFAOYSA-N 1 1 360.255 3.803 20 30 FHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416172665 942438458 /nfs/dbraw/zinc/43/84/58/942438458.db2.gz XNVFWXUHDXQNQH-PKTZIBPZSA-N 1 1 373.500 3.733 20 30 FHEDMO N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000505302149 942457339 /nfs/dbraw/zinc/45/73/39/942457339.db2.gz REGFVJPIIZOXBB-KRWDZBQOSA-N 1 1 353.853 3.606 20 30 FHEDMO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCc3cccc(Cl)c3)CC2)cc1 ZINC000502504208 942482072 /nfs/dbraw/zinc/48/20/72/942482072.db2.gz JNFRWRSFTLVWMX-UHFFFAOYSA-N 1 1 365.864 3.617 20 30 FHEDMO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3cccc(Cl)c3)CC2)cc1 ZINC000502504208 942482075 /nfs/dbraw/zinc/48/20/75/942482075.db2.gz JNFRWRSFTLVWMX-UHFFFAOYSA-N 1 1 365.864 3.617 20 30 FHEDMO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528570 942503653 /nfs/dbraw/zinc/50/36/53/942503653.db2.gz KPICFNFLFZYHSA-LAUBAEHRSA-N 1 1 351.494 3.684 20 30 FHEDMO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528570 942503660 /nfs/dbraw/zinc/50/36/60/942503660.db2.gz KPICFNFLFZYHSA-LAUBAEHRSA-N 1 1 351.494 3.684 20 30 FHEDMO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502513167 942506979 /nfs/dbraw/zinc/50/69/79/942506979.db2.gz VZXZOLHXEHEDQY-SFHVURJKSA-N 1 1 359.473 3.661 20 30 FHEDMO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502513167 942506984 /nfs/dbraw/zinc/50/69/84/942506984.db2.gz VZXZOLHXEHEDQY-SFHVURJKSA-N 1 1 359.473 3.661 20 30 FHEDMO C[C@@H](NC1(C[NH2+]Cc2ccc(C#N)c(F)c2)CCOCC1)c1ccccc1 ZINC000421365210 942517083 /nfs/dbraw/zinc/51/70/83/942517083.db2.gz QKCPQNLLCXCMPL-QGZVFWFLSA-N 1 1 367.468 3.687 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000513816497 942534663 /nfs/dbraw/zinc/53/46/63/942534663.db2.gz OUHJOVPXBZHIDN-LEWJYISDSA-N 1 1 351.490 3.953 20 30 FHEDMO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501534855 942536326 /nfs/dbraw/zinc/53/63/26/942536326.db2.gz MQIPFEPDTYUANO-MRXNPFEDSA-N 1 1 373.250 3.943 20 30 FHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513879682 942572484 /nfs/dbraw/zinc/57/24/84/942572484.db2.gz IPEBGYTUAOOIED-GOSISDBHSA-N 1 1 352.453 3.976 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425076752 942642147 /nfs/dbraw/zinc/64/21/47/942642147.db2.gz GMNQDWSRWSFGNV-UHFFFAOYSA-N 1 1 354.479 3.732 20 30 FHEDMO N#Cc1ccc(N2CC[NH+](CCOc3cccc(Cl)c3)CC2)c(F)c1 ZINC000514002800 942677617 /nfs/dbraw/zinc/67/76/17/942677617.db2.gz BGIBURGTJBSITA-UHFFFAOYSA-N 1 1 359.832 3.552 20 30 FHEDMO Cc1ccc([C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccn2)cc1 ZINC000367025464 942706206 /nfs/dbraw/zinc/70/62/06/942706206.db2.gz AJZRTSWXBFWYPZ-JOCHJYFZSA-N 1 1 353.429 3.789 20 30 FHEDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000421700689 942772612 /nfs/dbraw/zinc/77/26/12/942772612.db2.gz FUQXHGZLSCUWEF-GOSISDBHSA-N 1 1 365.502 3.876 20 30 FHEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000330201956 942790035 /nfs/dbraw/zinc/79/00/35/942790035.db2.gz YQBKEWCKIDCUHD-HRCADAONSA-N 1 1 372.435 3.939 20 30 FHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000502894925 942823455 /nfs/dbraw/zinc/82/34/55/942823455.db2.gz FFRQZMMWYZTJKK-HXUWFJFHSA-N 1 1 373.545 3.569 20 30 FHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)ccc1OC ZINC000414556006 942858083 /nfs/dbraw/zinc/85/80/83/942858083.db2.gz VBDUVQFRXMZYFS-IBGZPJMESA-N 1 1 372.509 3.627 20 30 FHEDMO COCC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)c1ccco1 ZINC000273235465 942914209 /nfs/dbraw/zinc/91/42/09/942914209.db2.gz GNMCYJAHOKDQNE-IBGZPJMESA-N 1 1 369.465 3.511 20 30 FHEDMO COc1ccc(CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1OCCCC#N ZINC000430120691 942926566 /nfs/dbraw/zinc/92/65/66/942926566.db2.gz FRVNRGWAYZOLPA-QWFCFKBJSA-N 1 1 371.525 3.540 20 30 FHEDMO CCc1ccc([C@@H]2CN(C(=O)C[C@H](CC#N)c3ccccc3)CC[NH2+]2)cc1 ZINC000505508450 942949346 /nfs/dbraw/zinc/94/93/46/942949346.db2.gz VXRCTSJPUMJJKI-VXKWHMMOSA-N 1 1 361.489 3.809 20 30 FHEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)C1=O ZINC000434849886 943005982 /nfs/dbraw/zinc/00/59/82/943005982.db2.gz HGZQYTHLQVUHOB-IEBWSBKVSA-N 1 1 365.502 3.995 20 30 FHEDMO CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505558105 943027341 /nfs/dbraw/zinc/02/73/41/943027341.db2.gz OZRJAUOGLKZXLG-NHCUHLMSSA-N 1 1 368.525 3.744 20 30 FHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000505561673 943037398 /nfs/dbraw/zinc/03/73/98/943037398.db2.gz JMDZKCPKSJLAOH-FQEVSTJZSA-N 1 1 353.491 3.639 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416699690 943050042 /nfs/dbraw/zinc/05/00/42/943050042.db2.gz YTAANUNHGPYWLY-UWJYYQICSA-N 1 1 368.525 3.889 20 30 FHEDMO CC[N@@H+](CCC1CCN(C(=O)NCc2ccc(C#N)s2)CC1)CC1CC1 ZINC000422212015 943056915 /nfs/dbraw/zinc/05/69/15/943056915.db2.gz DHIVGPIXYQZYIC-UHFFFAOYSA-N 1 1 374.554 3.663 20 30 FHEDMO N#Cc1ccc(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)c(Cl)c1 ZINC000503204250 943058094 /nfs/dbraw/zinc/05/80/94/943058094.db2.gz CVLDYQQADFNTJO-HXUWFJFHSA-N 1 1 363.848 3.904 20 30 FHEDMO CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271978921 943077955 /nfs/dbraw/zinc/07/79/55/943077955.db2.gz FJWVFLQKASMALY-OAQYLSRUSA-N 1 1 359.473 3.588 20 30 FHEDMO O=c1ccccn1C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1 ZINC000503244038 943081893 /nfs/dbraw/zinc/08/18/93/943081893.db2.gz SOIPPSHHFGWKNS-OAQYLSRUSA-N 1 1 362.860 3.884 20 30 FHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000434984836 943086095 /nfs/dbraw/zinc/08/60/95/943086095.db2.gz ZWWCHIMKZUUYQU-HXUWFJFHSA-N 1 1 371.431 3.713 20 30 FHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272419505 943153084 /nfs/dbraw/zinc/15/30/84/943153084.db2.gz LTVPFBZHQNRKBG-INMHGKMJSA-N 1 1 358.511 3.639 20 30 FHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272419502 943153135 /nfs/dbraw/zinc/15/31/35/943153135.db2.gz LTVPFBZHQNRKBG-HLLBOEOZSA-N 1 1 358.511 3.639 20 30 FHEDMO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272548267 943175896 /nfs/dbraw/zinc/17/58/96/943175896.db2.gz KMQYNIXXQATIGQ-UHFFFAOYSA-N 1 1 354.281 3.577 20 30 FHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000272639793 943191490 /nfs/dbraw/zinc/19/14/90/943191490.db2.gz CCAVTOLTKKLHMS-HUUCEWRRSA-N 1 1 358.511 3.853 20 30 FHEDMO C=C(C)[C@H](CC(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@H+]1CC)OCC ZINC000503497309 943219784 /nfs/dbraw/zinc/21/97/84/943219784.db2.gz PXXJUCLRXXHAOE-FPOVZHCZSA-N 1 1 374.525 3.576 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)o2)c1 ZINC000514694357 943226495 /nfs/dbraw/zinc/22/64/95/943226495.db2.gz HKGSGMUXBSXPOA-JOCHJYFZSA-N 1 1 372.428 3.578 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)o2)c1 ZINC000514694357 943226502 /nfs/dbraw/zinc/22/65/02/943226502.db2.gz HKGSGMUXBSXPOA-JOCHJYFZSA-N 1 1 372.428 3.578 20 30 FHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000514707652 943235381 /nfs/dbraw/zinc/23/53/81/943235381.db2.gz HOAIRBBGKIMDGE-CQSZACIVSA-N 1 1 363.864 3.552 20 30 FHEDMO N#Cc1ccc(OCC[N@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000503571973 943268930 /nfs/dbraw/zinc/26/89/30/943268930.db2.gz CVHOTGPWGRKSQA-UHFFFAOYSA-N 1 1 357.251 3.758 20 30 FHEDMO N#Cc1ccc(OCC[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000503571973 943268937 /nfs/dbraw/zinc/26/89/37/943268937.db2.gz CVHOTGPWGRKSQA-UHFFFAOYSA-N 1 1 357.251 3.758 20 30 FHEDMO C=CCOc1cccc(C[N@H+](CC)CC(=O)NCc2ccc(F)cc2)c1 ZINC000505639466 943285349 /nfs/dbraw/zinc/28/53/49/943285349.db2.gz PRIBSBQLLKWIHE-UHFFFAOYSA-N 1 1 356.441 3.529 20 30 FHEDMO C=CCOc1cccc(C[N@@H+](CC)CC(=O)NCc2ccc(F)cc2)c1 ZINC000505639466 943285357 /nfs/dbraw/zinc/28/53/57/943285357.db2.gz PRIBSBQLLKWIHE-UHFFFAOYSA-N 1 1 356.441 3.529 20 30 FHEDMO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425366966 943379297 /nfs/dbraw/zinc/37/92/97/943379297.db2.gz QZZXMOLXODFBRF-MRXNPFEDSA-N 1 1 368.481 3.516 20 30 FHEDMO C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000425368969 943384441 /nfs/dbraw/zinc/38/44/41/943384441.db2.gz YSQYABIYVNIHHJ-HOTGVXAUSA-N 1 1 356.491 3.758 20 30 FHEDMO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000503928288 943421264 /nfs/dbraw/zinc/42/12/64/943421264.db2.gz NMPWOKDKZQDWFD-IBGZPJMESA-N 1 1 369.852 3.505 20 30 FHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505698592 943428793 /nfs/dbraw/zinc/42/87/93/943428793.db2.gz YYWYYFWJJFYXNF-GJZGRUSLSA-N 1 1 353.919 3.726 20 30 FHEDMO C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000364051517 943436693 /nfs/dbraw/zinc/43/66/93/943436693.db2.gz KOXUXYKQPRBCMW-ZBFHGGJFSA-N 1 1 367.415 3.754 20 30 FHEDMO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000503989233 943444337 /nfs/dbraw/zinc/44/43/37/943444337.db2.gz IBKNNQGRZLQUAL-VXKWHMMOSA-N 1 1 359.473 3.835 20 30 FHEDMO C=CCN(CC=C)C(=O)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000364059197 943450128 /nfs/dbraw/zinc/45/01/28/943450128.db2.gz YZKBFKPKSVDWNJ-UHFFFAOYSA-N 1 1 365.477 3.754 20 30 FHEDMO CC(C)Oc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC000435680994 943541183 /nfs/dbraw/zinc/54/11/83/943541183.db2.gz IXHFRNHHMDBYHH-INIZCTEOSA-N 1 1 363.461 3.731 20 30 FHEDMO CC(C)Oc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1C#N ZINC000435680994 943541187 /nfs/dbraw/zinc/54/11/87/943541187.db2.gz IXHFRNHHMDBYHH-INIZCTEOSA-N 1 1 363.461 3.731 20 30 FHEDMO C=CCC(F)(F)C(=O)N1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001270000452 943548045 /nfs/dbraw/zinc/54/80/45/943548045.db2.gz DCRJMSHKHFUZFP-OAHLLOKOSA-N 1 1 368.390 3.855 20 30 FHEDMO C=CCC(F)(F)C(=O)N1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001270001528 943552350 /nfs/dbraw/zinc/55/23/50/943552350.db2.gz ZLBDMLDRUJBOIU-OKILXGFUSA-N 1 1 368.390 3.711 20 30 FHEDMO C=CCC(F)(F)C(=O)N1CCC2(CC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001270001442 943552422 /nfs/dbraw/zinc/55/24/22/943552422.db2.gz YBPOLEHMOGYUOQ-UHFFFAOYSA-N 1 1 368.390 3.855 20 30 FHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cc(C)ccc1C ZINC000515246221 943594950 /nfs/dbraw/zinc/59/49/50/943594950.db2.gz QROXVJPOTUPIEA-NRFANRHFSA-N 1 1 352.478 3.827 20 30 FHEDMO CN1CCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)[C@H](c2ccccc2)C1 ZINC000584811001 943650210 /nfs/dbraw/zinc/65/02/10/943650210.db2.gz XKLBDRSHMOZIMJ-RPWUZVMVSA-N 1 1 374.532 3.514 20 30 FHEDMO COc1cncc(/C=C\CC[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000516864950 943778844 /nfs/dbraw/zinc/77/88/44/943778844.db2.gz WCLCCQLTAYXPQG-HYXAFXHYSA-N 1 1 351.450 3.514 20 30 FHEDMO CCc1cccc(C)c1NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000584860694 943804645 /nfs/dbraw/zinc/80/46/45/943804645.db2.gz JCQBHIRVROCAFT-UHFFFAOYSA-N 1 1 365.477 3.516 20 30 FHEDMO CCc1cccc(C)c1NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000584860694 943804652 /nfs/dbraw/zinc/80/46/52/943804652.db2.gz JCQBHIRVROCAFT-UHFFFAOYSA-N 1 1 365.477 3.516 20 30 FHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(SCC(F)(F)F)cc2)nn1 ZINC000424297597 943825079 /nfs/dbraw/zinc/82/50/79/943825079.db2.gz QWRQRTAGDBNNRV-LBPRGKRZSA-N 1 1 356.417 3.969 20 30 FHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)nn1 ZINC000424301079 943827807 /nfs/dbraw/zinc/82/78/07/943827807.db2.gz ZJSSQNNSASLMLX-ZDUSSCGKSA-N 1 1 369.494 3.755 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000425412724 943839192 /nfs/dbraw/zinc/83/91/92/943839192.db2.gz FYQXSGRNHOOPED-ROUUACIJSA-N 1 1 356.514 3.773 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435913942 943852284 /nfs/dbraw/zinc/85/22/84/943852284.db2.gz DAYXIKHVKNQAJF-KRWDZBQOSA-N 1 1 352.482 3.549 20 30 FHEDMO CCC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000053376892 943907957 /nfs/dbraw/zinc/90/79/57/943907957.db2.gz ODIKPLXIYYDGDT-UHFFFAOYSA-N 1 1 368.481 3.678 20 30 FHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516999331 943914508 /nfs/dbraw/zinc/91/45/08/943914508.db2.gz NLHAKHNTKUNGIJ-KRWDZBQOSA-N 1 1 366.440 3.683 20 30 FHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000437581028 943934920 /nfs/dbraw/zinc/93/49/20/943934920.db2.gz KXOPOTXYOCGAHZ-SFHVURJKSA-N 1 1 366.427 3.600 20 30 FHEDMO N#Cc1ccc(CN2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)cc1 ZINC000506070636 943943924 /nfs/dbraw/zinc/94/39/24/943943924.db2.gz JFOFQOWHSIIKNI-UHFFFAOYSA-N 1 1 371.431 3.520 20 30 FHEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(OCC(F)F)cc3)CC2)cc1 ZINC000506070636 943943926 /nfs/dbraw/zinc/94/39/26/943943926.db2.gz JFOFQOWHSIIKNI-UHFFFAOYSA-N 1 1 371.431 3.520 20 30 FHEDMO C=CCN1CC[C@H]([N@@H+](C)CC/C=C/c2ccc(Br)cc2)C1=O ZINC000500008132 943944457 /nfs/dbraw/zinc/94/44/57/943944457.db2.gz INNOOPQANLKXFM-YXMMZVCTSA-N 1 1 363.299 3.571 20 30 FHEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(OC(C)C)ccc3ccccc32)C1=O ZINC000500020637 943958982 /nfs/dbraw/zinc/95/89/82/943958982.db2.gz RTULDDZNMSZZGM-HXUWFJFHSA-N 1 1 352.478 3.846 20 30 FHEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2c(OC(C)C)ccc3ccccc32)C1=O ZINC000500020637 943958987 /nfs/dbraw/zinc/95/89/87/943958987.db2.gz RTULDDZNMSZZGM-HXUWFJFHSA-N 1 1 352.478 3.846 20 30 FHEDMO CCc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C2CC2)cc1 ZINC000515548016 943981914 /nfs/dbraw/zinc/98/19/14/943981914.db2.gz BPDLTVJVUFPKIB-OAQYLSRUSA-N 1 1 350.462 3.525 20 30 FHEDMO C[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000517074800 943982452 /nfs/dbraw/zinc/98/24/52/943982452.db2.gz LREFNSGAWWZBJS-MRXNPFEDSA-N 1 1 367.880 3.806 20 30 FHEDMO C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000505036067 943993355 /nfs/dbraw/zinc/99/33/55/943993355.db2.gz RVJRNQKKBYTBHL-WSTZPKSXSA-N 1 1 371.525 3.911 20 30 FHEDMO C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000505036067 943993362 /nfs/dbraw/zinc/99/33/62/943993362.db2.gz RVJRNQKKBYTBHL-WSTZPKSXSA-N 1 1 371.525 3.911 20 30 FHEDMO C=CCCc1ccccc1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000505061441 944004721 /nfs/dbraw/zinc/00/47/21/944004721.db2.gz LMKDONVOCIINFI-IRXDYDNUSA-N 1 1 359.514 3.815 20 30 FHEDMO C=C(C)C(C)(C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000424626221 944019689 /nfs/dbraw/zinc/01/96/89/944019689.db2.gz IYZZLHDGTSVTHB-UHFFFAOYSA-N 1 1 355.482 3.514 20 30 FHEDMO COc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000506099686 944029077 /nfs/dbraw/zinc/02/90/77/944029077.db2.gz OMLGHNIVFDOLNX-UHFFFAOYSA-N 1 1 355.869 3.538 20 30 FHEDMO C[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000517132599 944034021 /nfs/dbraw/zinc/03/40/21/944034021.db2.gz YJEMGDRJVGGULC-QGZVFWFLSA-N 1 1 350.422 3.566 20 30 FHEDMO C=CCC1(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)CCOCC1 ZINC000424679470 944059717 /nfs/dbraw/zinc/05/97/17/944059717.db2.gz LNJGNNFLMWKITO-QZTJIDSGSA-N 1 1 372.509 3.607 20 30 FHEDMO C=CCC1(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000424701205 944075573 /nfs/dbraw/zinc/07/55/73/944075573.db2.gz DNPYUILRVWICQS-INIZCTEOSA-N 1 1 353.466 3.731 20 30 FHEDMO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506130328 944116176 /nfs/dbraw/zinc/11/61/76/944116176.db2.gz HJYWBJRZHDZKSM-AWEZNQCLSA-N 1 1 373.859 3.830 20 30 FHEDMO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506130328 944116179 /nfs/dbraw/zinc/11/61/79/944116179.db2.gz HJYWBJRZHDZKSM-AWEZNQCLSA-N 1 1 373.859 3.830 20 30 FHEDMO C=C[C@](C)(CCOC)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437887575 944186516 /nfs/dbraw/zinc/18/65/16/944186516.db2.gz FGZUXHVKWQOMFU-IFMALSPDSA-N 1 1 358.526 3.586 20 30 FHEDMO C=C[C@@](C)(CCOC)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437887576 944186588 /nfs/dbraw/zinc/18/65/88/944186588.db2.gz FGZUXHVKWQOMFU-IRLDBZIGSA-N 1 1 358.526 3.586 20 30 FHEDMO C=C[C@@](C)(CCOC)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437887580 944187978 /nfs/dbraw/zinc/18/79/78/944187978.db2.gz FGZUXHVKWQOMFU-UNMCSNQZSA-N 1 1 358.526 3.586 20 30 FHEDMO C[C@H](C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000436326060 944204705 /nfs/dbraw/zinc/20/47/05/944204705.db2.gz PIOIIOONCPFRIV-YSZBQJHXSA-N 1 1 373.500 3.732 20 30 FHEDMO C[C@H](C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000436326060 944204712 /nfs/dbraw/zinc/20/47/12/944204712.db2.gz PIOIIOONCPFRIV-YSZBQJHXSA-N 1 1 373.500 3.732 20 30 FHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000500174759 944213464 /nfs/dbraw/zinc/21/34/64/944213464.db2.gz WBEXIISHAYSQAQ-RXVVDRJESA-N 1 1 353.510 3.771 20 30 FHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515805570 944222777 /nfs/dbraw/zinc/22/27/77/944222777.db2.gz KNDSXGQIRCJZRY-KDURUIRLSA-N 1 1 373.541 3.761 20 30 FHEDMO CSc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425528935 944238180 /nfs/dbraw/zinc/23/81/80/944238180.db2.gz AAPMZVNBMBDCDL-CRAIPNDOSA-N 1 1 356.491 3.713 20 30 FHEDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000425533749 944260515 /nfs/dbraw/zinc/26/05/15/944260515.db2.gz LBSBHPGIZIYTLD-OAHLLOKOSA-N 1 1 366.421 3.797 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000425533091 944262239 /nfs/dbraw/zinc/26/22/39/944262239.db2.gz KFSPSHQZVQPQCB-CVDCTZTESA-N 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FHEDMO CC[C@@](C)(C#N)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000506326415 944929505 /nfs/dbraw/zinc/92/95/05/944929505.db2.gz PBLLXGMCCCRFPI-RXVVDRJESA-N 1 1 367.518 3.904 20 30 FHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H]3CCC[C@@H]32)c1C#N ZINC000426482331 944929697 /nfs/dbraw/zinc/92/96/97/944929697.db2.gz KTHCDRWJCUTHBO-APWZRJJASA-N 1 1 354.498 3.905 20 30 FHEDMO N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)cc1 ZINC000518914936 944934670 /nfs/dbraw/zinc/93/46/70/944934670.db2.gz QVSITLFODKSEHR-GOSISDBHSA-N 1 1 361.445 3.511 20 30 FHEDMO CCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(=O)[nH]1 ZINC001270164304 944957345 /nfs/dbraw/zinc/95/73/45/944957345.db2.gz UPPKAGHHXWAFDC-OALUTQOASA-N 1 1 359.514 3.713 20 30 FHEDMO CCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C)nn1C)C2 ZINC001270165343 944982456 /nfs/dbraw/zinc/98/24/56/944982456.db2.gz HNIOPEAUWRNDSW-UHFFFAOYSA-N 1 1 360.546 3.513 20 30 FHEDMO N#Cc1ccnc(N2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)CC2)c1 ZINC000506686061 944993491 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Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000507202322 945028046 /nfs/dbraw/zinc/02/80/46/945028046.db2.gz HIVXFVYOTBHKDH-MRXNPFEDSA-N 1 1 353.853 3.948 20 30 FHEDMO CCC[NH+]1CCN(c2ccccc2CN(C)Cc2cccc(C#N)c2)CC1 ZINC000507207861 945031909 /nfs/dbraw/zinc/03/19/09/945031909.db2.gz CYPSBMOEQUIJLL-UHFFFAOYSA-N 1 1 362.521 3.722 20 30 FHEDMO C=C(Cc1ccccc1)C(=O)N1CC[C@H]2C[N@H+](CCCC(F)(F)F)C[C@H]21 ZINC001270172337 945039184 /nfs/dbraw/zinc/03/91/84/945039184.db2.gz SRBMJRGEXBHCMA-ZWKOTPCHSA-N 1 1 366.427 3.661 20 30 FHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000507215871 945047781 /nfs/dbraw/zinc/04/77/81/945047781.db2.gz WOZJRYYDQIDPLY-UHFFFAOYSA-N 1 1 373.250 3.724 20 30 FHEDMO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000330166937 945384698 /nfs/dbraw/zinc/38/46/98/945384698.db2.gz YMELJITVZHRIGO-SJORKVTESA-N 1 1 361.530 3.531 20 30 FHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCOc1ccccc1C#N ZINC000507652440 945403945 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C=CCn1c(SC[C@@H]2CCCC[N@@H+]2C(C)C)nnc1-c1ccncc1 ZINC000549622335 948204364 /nfs/dbraw/zinc/20/43/64/948204364.db2.gz YLXPNDZJEPSUQM-KRWDZBQOSA-N 1 1 357.527 3.881 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000512039650 948264453 /nfs/dbraw/zinc/26/44/53/948264453.db2.gz MMNHBJIFGCABTC-UHFFFAOYSA-N 1 1 356.422 3.843 20 30 FHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1cccc(C#N)c1 ZINC000512041972 948273360 /nfs/dbraw/zinc/27/33/60/948273360.db2.gz WNKGUAFKBAYIKP-UHFFFAOYSA-N 1 1 372.428 3.865 20 30 FHEDMO N#Cc1ccc2ncc(C[NH2+][C@H](CN3CCCCC3)c3ccccc3)n2c1 ZINC000585766873 948278012 /nfs/dbraw/zinc/27/80/12/948278012.db2.gz NAIPASGTESWSFH-OAQYLSRUSA-N 1 1 359.477 3.523 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000441688733 948549826 /nfs/dbraw/zinc/54/98/26/948549826.db2.gz MHVWLYRGTLAHNE-QIJUGHKUSA-N 1 1 367.489 3.617 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000441688733 948549831 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FHEDMO C[C@@H](CC1(C#N)CCOCC1)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000602497197 567983488 /nfs/dbraw/zinc/98/34/88/567983488.db2.gz ZTCIYZSDRHTKAH-ROUUACIJSA-N 1 1 357.498 3.591 20 30 FHEDMO C[C@H](CC1(C#N)CCOCC1)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000602490097 567986087 /nfs/dbraw/zinc/98/60/87/567986087.db2.gz CEZMDZJLRZFMML-QRVBRYPASA-N 1 1 371.525 3.807 20 30 FHEDMO C[C@H](CC1(C#N)CCOCC1)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000602490097 567986088 /nfs/dbraw/zinc/98/60/88/567986088.db2.gz CEZMDZJLRZFMML-QRVBRYPASA-N 1 1 371.525 3.807 20 30 FHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000602598335 568000103 /nfs/dbraw/zinc/00/01/03/568000103.db2.gz HLMYNVXRCGETPB-WMZOPIPTSA-N 1 1 365.481 3.781 20 30 FHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1c(F)cccc1C#N ZINC000568305890 568013160 /nfs/dbraw/zinc/01/31/60/568013160.db2.gz FACXKPWCFPCKOA-OAQYLSRUSA-N 1 1 367.468 3.513 20 30 FHEDMO N#Cc1cnn2cc(C[N@H+]3CCCC[C@H]3CCCc3ccccc3)cnc12 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C[C@@H]1[C@H](C)SCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000118416908 935423851 /nfs/dbraw/zinc/42/38/51/935423851.db2.gz QFMQEECWXNPRPK-OLZOCXBDSA-N 1 1 363.552 3.653 20 30 FHEDMO C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000660514635 945107917 /nfs/dbraw/zinc/10/79/17/945107917.db2.gz NXSJIJYXRNLSBS-ROUUACIJSA-N 1 1 361.555 3.958 20 30 FHEDMO COC(=O)c1ccc(F)c(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000511105494 935586847 /nfs/dbraw/zinc/58/68/47/935586847.db2.gz AVYXQQDRTBRXTP-UHFFFAOYSA-N 1 1 368.408 3.527 20 30 FHEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2(C#N)CCSCC2)c1 ZINC000934447056 935649078 /nfs/dbraw/zinc/64/90/78/935649078.db2.gz LEZNKSJSYSZLIW-UHFFFAOYSA-N 1 1 373.566 3.962 20 30 FHEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000511124706 935700620 /nfs/dbraw/zinc/70/06/20/935700620.db2.gz UFGQPNHXNGZHQY-NVXWUHKLSA-N 1 1 352.400 3.672 20 30 FHEDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000158985759 935779071 /nfs/dbraw/zinc/77/90/71/935779071.db2.gz FBOHDLGAEAWJQS-OAHLLOKOSA-N 1 1 371.510 3.997 20 30 FHEDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2cccc(Br)c2C#N)C1 ZINC000439957321 945123603 /nfs/dbraw/zinc/12/36/03/945123603.db2.gz OGYXWJVQMZNWGK-ZDUSSCGKSA-N 1 1 359.271 3.513 20 30 FHEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000077360613 935799376 /nfs/dbraw/zinc/79/93/76/935799376.db2.gz XZZLDXJSRWWDBL-AWEZNQCLSA-N 1 1 360.383 3.855 20 30 FHEDMO C=CCCn1cc(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)nn1 ZINC000657482579 935860078 /nfs/dbraw/zinc/86/00/78/935860078.db2.gz CLXARLGWIANJAT-OAHLLOKOSA-N 1 1 365.250 3.533 20 30 FHEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc2c(cc1Br)OCCO2 ZINC000048786327 935862829 /nfs/dbraw/zinc/86/28/29/935862829.db2.gz XPBCLVIUQNZPCH-GFCCVEGCSA-N 1 1 373.250 3.943 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(CC#N)CC1 ZINC000611674012 935899308 /nfs/dbraw/zinc/89/93/08/935899308.db2.gz RQNXXGVISCCAME-GOSISDBHSA-N 1 1 369.509 3.706 20 30 FHEDMO CO[C@@]1(C)C[C@H]([N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1(C)C ZINC000472238208 935910610 /nfs/dbraw/zinc/91/06/10/935910610.db2.gz JWBNQTFUCLNXAB-UNMCSNQZSA-N 1 1 367.493 3.873 20 30 FHEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1(C)C ZINC000472238208 935910612 /nfs/dbraw/zinc/91/06/12/935910612.db2.gz JWBNQTFUCLNXAB-UNMCSNQZSA-N 1 1 367.493 3.873 20 30 FHEDMO CC(C)(C#N)CCCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000277789722 935947591 /nfs/dbraw/zinc/94/75/91/935947591.db2.gz SMSZHXOSUZTJTR-UHFFFAOYSA-N 1 1 367.453 3.648 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc(F)c(F)c1 ZINC000187765673 936013044 /nfs/dbraw/zinc/01/30/44/936013044.db2.gz VETVCTJRUNRLMQ-GHTZIAJQSA-N 1 1 372.415 3.812 20 30 FHEDMO CCN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000582733702 936026907 /nfs/dbraw/zinc/02/69/07/936026907.db2.gz AFGMUIMILGOAJA-XMSQKQJNSA-N 1 1 361.489 3.990 20 30 FHEDMO COc1ccc([C@H](NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000046528890 936118576 /nfs/dbraw/zinc/11/85/76/936118576.db2.gz QCCPGWZDIOKSHO-JOCHJYFZSA-N 1 1 365.477 3.512 20 30 FHEDMO COc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000046528890 936118579 /nfs/dbraw/zinc/11/85/79/936118579.db2.gz QCCPGWZDIOKSHO-JOCHJYFZSA-N 1 1 365.477 3.512 20 30 FHEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000582805939 936141833 /nfs/dbraw/zinc/14/18/33/936141833.db2.gz UYBAWTNYIVRORO-UTKZUKDTSA-N 1 1 359.473 3.635 20 30 FHEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 ZINC000078485145 936179378 /nfs/dbraw/zinc/17/93/78/936179378.db2.gz MSGSYZOPIMAWEK-IAGOWNOFSA-N 1 1 363.461 3.614 20 30 FHEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438848392 945152450 /nfs/dbraw/zinc/15/24/50/945152450.db2.gz HRPAMCRGTSZXIO-UXHICEINSA-N 1 1 356.514 3.985 20 30 FHEDMO N#CCCn1cc(C[N@H+]2CCc3ccc(O)cc3C2)c(-c2ccccc2)n1 ZINC000509586970 945161058 /nfs/dbraw/zinc/16/10/58/945161058.db2.gz UVSCMCBBDZXBSD-UHFFFAOYSA-N 1 1 358.445 3.728 20 30 FHEDMO N#CCCn1cc(C[N@@H+]2CCc3ccc(O)cc3C2)c(-c2ccccc2)n1 ZINC000509586970 945161066 /nfs/dbraw/zinc/16/10/66/945161066.db2.gz UVSCMCBBDZXBSD-UHFFFAOYSA-N 1 1 358.445 3.728 20 30 FHEDMO Cc1c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cnn1-c1ccccc1F ZINC000329165877 938276311 /nfs/dbraw/zinc/27/63/11/938276311.db2.gz HQOZSCGYRZZSQZ-HNNXBMFYSA-N 1 1 356.445 3.641 20 30 FHEDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000329180642 938281293 /nfs/dbraw/zinc/28/12/93/938281293.db2.gz OKDSYJBUKKNKKO-INIZCTEOSA-N 1 1 358.873 3.847 20 30 FHEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000245644159 938309484 /nfs/dbraw/zinc/30/94/84/938309484.db2.gz LBLGOGPVVUFAMR-MJGOQNOKSA-N 1 1 365.481 3.682 20 30 FHEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245681878 938310270 /nfs/dbraw/zinc/31/02/70/938310270.db2.gz HMELYFURWIBMFO-LEWJYISDSA-N 1 1 361.574 3.550 20 30 FHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000052455639 938312640 /nfs/dbraw/zinc/31/26/40/938312640.db2.gz KZYFDEOZSKUDQM-FQEVSTJZSA-N 1 1 351.425 3.909 20 30 FHEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000052455639 938312642 /nfs/dbraw/zinc/31/26/42/938312642.db2.gz KZYFDEOZSKUDQM-FQEVSTJZSA-N 1 1 351.425 3.909 20 30 FHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1OC ZINC000246084769 938337324 /nfs/dbraw/zinc/33/73/24/938337324.db2.gz IENRPZOEVYBCOQ-PKOBYXMFSA-N 1 1 355.482 3.930 20 30 FHEDMO C[C@@H]1C[C@@H](N(C)c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000583675945 938353053 /nfs/dbraw/zinc/35/30/53/938353053.db2.gz NGPPHDPXRCEYFL-UZLBHIALSA-N 1 1 364.449 3.956 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246742974 938397060 /nfs/dbraw/zinc/39/70/60/938397060.db2.gz OGYXGVFQSNLESJ-OAGGEKHMSA-N 1 1 360.527 3.885 20 30 FHEDMO COc1ccccc1[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329490471 938444668 /nfs/dbraw/zinc/44/46/68/938444668.db2.gz HWNYRCCDXDSAKT-IKGGRYGDSA-N 1 1 359.514 3.913 20 30 FHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000583886023 938466865 /nfs/dbraw/zinc/46/68/65/938466865.db2.gz SMHKCFJKUOQGMF-JPYJTQIMSA-N 1 1 361.489 3.642 20 30 FHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000583886023 938466868 /nfs/dbraw/zinc/46/68/68/938466868.db2.gz SMHKCFJKUOQGMF-JPYJTQIMSA-N 1 1 361.489 3.642 20 30 FHEDMO C=CCN(CCc1ccco1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472308400 938492282 /nfs/dbraw/zinc/49/22/82/938492282.db2.gz FKSZDPOVIZRBEQ-HXUWFJFHSA-N 1 1 367.493 3.542 20 30 FHEDMO C[C@@H]1C[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000158656056 938562283 /nfs/dbraw/zinc/56/22/83/938562283.db2.gz BKDPKBUBKZUIBN-XLIONFOSSA-N 1 1 362.477 3.785 20 30 FHEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000584086516 938592763 /nfs/dbraw/zinc/59/27/63/938592763.db2.gz PGDOSBOBABLCPE-QGZVFWFLSA-N 1 1 365.477 3.596 20 30 FHEDMO Cn1ccc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1=O ZINC000052798059 938596462 /nfs/dbraw/zinc/59/64/62/938596462.db2.gz BFZOYZLOHZKDLQ-UHFFFAOYSA-N 1 1 361.420 3.598 20 30 FHEDMO C=CC[N@H+](CCCc1cnccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000584140069 938612970 /nfs/dbraw/zinc/61/29/70/938612970.db2.gz PGTAMHPEEFSAAF-GOSISDBHSA-N 1 1 362.481 3.548 20 30 FHEDMO [NH2+]=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc2c(c1)CCC2 ZINC000262377811 938676471 /nfs/dbraw/zinc/67/64/71/938676471.db2.gz XKJZHUXLPLBYQI-GOSISDBHSA-N 1 1 354.523 3.801 20 30 FHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000519206212 945204283 /nfs/dbraw/zinc/20/42/83/945204283.db2.gz QLQAGVUBTMNALV-NRFANRHFSA-N 1 1 370.541 3.846 20 30 FHEDMO Cc1ccc(N2CCC[C@@H](C(=O)N[C@@H](CCC#N)c3ccccc3)C2)[nH+]c1 ZINC000375748219 938860352 /nfs/dbraw/zinc/86/03/52/938860352.db2.gz GQKFIWJPGDPDNF-UXHICEINSA-N 1 1 362.477 3.768 20 30 FHEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458799775 938943647 /nfs/dbraw/zinc/94/36/47/938943647.db2.gz KEWOQOPGRZRALN-AABGKKOBSA-N 1 1 354.498 3.690 20 30 FHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1c(C#N)nnc2ccccc21)C1CC1 ZINC000480528463 938968120 /nfs/dbraw/zinc/96/81/20/938968120.db2.gz KWANVXHFAMWPGD-NRFANRHFSA-N 1 1 357.461 3.824 20 30 FHEDMO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000363836533 939010321 /nfs/dbraw/zinc/01/03/21/939010321.db2.gz UTTAWPGHUMASTE-PXAZEXFGSA-N 1 1 368.824 3.646 20 30 FHEDMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000188172230 939021435 /nfs/dbraw/zinc/02/14/35/939021435.db2.gz SQNLKNIJLKDMKF-SJLPKXTDSA-N 1 1 365.452 3.822 20 30 FHEDMO COc1ccc(C[N@H+]2CCCN(c3ncc(Cl)c(C)c3C#N)CC2)cc1 ZINC000612070932 939029788 /nfs/dbraw/zinc/02/97/88/939029788.db2.gz AMMXIOADOOUGOZ-UHFFFAOYSA-N 1 1 370.884 3.636 20 30 FHEDMO Cc1ccnc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1C#N ZINC000612069277 939029922 /nfs/dbraw/zinc/02/99/22/939029922.db2.gz MRRSVSVOYWHLDS-UHFFFAOYSA-N 1 1 360.383 3.603 20 30 FHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000658133247 939029968 /nfs/dbraw/zinc/02/99/68/939029968.db2.gz CSLBXPRBQWZOTM-APWZRJJASA-N 1 1 369.509 3.602 20 30 FHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000658133247 939029972 /nfs/dbraw/zinc/02/99/72/939029972.db2.gz CSLBXPRBQWZOTM-APWZRJJASA-N 1 1 369.509 3.602 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC000188189312 939030986 /nfs/dbraw/zinc/03/09/86/939030986.db2.gz GHXZCNPVXMZLBD-MRXNPFEDSA-N 1 1 370.456 3.961 20 30 FHEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000472357585 939048254 /nfs/dbraw/zinc/04/82/54/939048254.db2.gz BOYIYUXMEHKDDM-PZJWPPBQSA-N 1 1 361.489 3.886 20 30 FHEDMO C[C@]1(C#N)CCCN(Cc2ccccc2C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612165324 939174274 /nfs/dbraw/zinc/17/42/74/939174274.db2.gz MBPAPOAZXPMGSW-FGZHOGPDSA-N 1 1 350.510 3.938 20 30 FHEDMO C[C@]1(C#N)CCCN(Cc2ccccc2C[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612165324 939174276 /nfs/dbraw/zinc/17/42/76/939174276.db2.gz MBPAPOAZXPMGSW-FGZHOGPDSA-N 1 1 350.510 3.938 20 30 FHEDMO C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)ccc1OC ZINC000093864410 945232771 /nfs/dbraw/zinc/23/27/71/945232771.db2.gz YXPJHQLPAGROMQ-GOSISDBHSA-N 1 1 355.482 3.893 20 30 FHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(F)c1C#N ZINC000188353807 939211059 /nfs/dbraw/zinc/21/10/59/939211059.db2.gz HABJSQQKEJOWAD-GOSISDBHSA-N 1 1 365.452 3.682 20 30 FHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000507448978 945243353 /nfs/dbraw/zinc/24/33/53/945243353.db2.gz DVKZSLNSYVNADN-IYBDPMFKSA-N 1 1 371.500 3.602 20 30 FHEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@]3(C#N)CC34CCCC4)C2)s1 ZINC000516777190 945246652 /nfs/dbraw/zinc/24/66/52/945246652.db2.gz PCMWAURTQDHLHI-UWJYYQICSA-N 1 1 371.550 3.811 20 30 FHEDMO C[N@H+](CCCOc1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000383105250 945247174 /nfs/dbraw/zinc/24/71/74/945247174.db2.gz HDGXMULYRACXQK-JOCHJYFZSA-N 1 1 363.505 3.781 20 30 FHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000383105250 945247181 /nfs/dbraw/zinc/24/71/81/945247181.db2.gz HDGXMULYRACXQK-JOCHJYFZSA-N 1 1 363.505 3.781 20 30 FHEDMO C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000660568762 945256655 /nfs/dbraw/zinc/25/66/55/945256655.db2.gz YBDINNQIZFMKBE-RTWAWAEBSA-N 1 1 355.526 3.549 20 30 FHEDMO CCN(c1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1)C(C)C ZINC000026331359 945261436 /nfs/dbraw/zinc/26/14/36/945261436.db2.gz VKORBWHIUSXWMS-UHFFFAOYSA-N 1 1 364.493 3.863 20 30 FHEDMO CCN(c1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1)C(C)C ZINC000026331359 945261447 /nfs/dbraw/zinc/26/14/47/945261447.db2.gz VKORBWHIUSXWMS-UHFFFAOYSA-N 1 1 364.493 3.863 20 30 FHEDMO COc1cccc(Cl)c1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000188463526 939885701 /nfs/dbraw/zinc/88/57/01/939885701.db2.gz YKUAOBFCVNLOEC-UHFFFAOYSA-N 1 1 369.896 3.974 20 30 FHEDMO N#Cc1cccc(C=Cc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000375824205 939947784 /nfs/dbraw/zinc/94/77/84/939947784.db2.gz MPZKVSNQKBYEFR-MDZDMXLPSA-N 1 1 368.440 3.783 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000612375876 940030918 /nfs/dbraw/zinc/03/09/18/940030918.db2.gz GCJLXQUIKSTLEA-QRWLVFNGSA-N 1 1 351.454 3.577 20 30 FHEDMO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@](C)(C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000612379491 940033658 /nfs/dbraw/zinc/03/36/58/940033658.db2.gz RAIWQPBLSTVFOK-KAGYGMCKSA-N 1 1 368.525 3.622 20 30 FHEDMO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)c3ccc(C#N)cc3)co2)cc1 ZINC000548930708 940063420 /nfs/dbraw/zinc/06/34/20/940063420.db2.gz HATOBZLKNBDYCT-CQSZACIVSA-N 1 1 361.401 3.851 20 30 FHEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000179888590 940084006 /nfs/dbraw/zinc/08/40/06/940084006.db2.gz SARHKRPMESQPGS-UHFFFAOYSA-N 1 1 374.444 3.710 20 30 FHEDMO Cc1noc(C)c1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000612461810 940084803 /nfs/dbraw/zinc/08/48/03/940084803.db2.gz FRNABWNYPWLSID-ZDUSSCGKSA-N 1 1 374.872 3.851 20 30 FHEDMO Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000612461807 940084951 /nfs/dbraw/zinc/08/49/51/940084951.db2.gz FRNABWNYPWLSID-CYBMUJFWSA-N 1 1 374.872 3.851 20 30 FHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000065959410 940121554 /nfs/dbraw/zinc/12/15/54/940121554.db2.gz IOAYPIJNGQDURU-KRWDZBQOSA-N 1 1 372.459 3.743 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000065959410 940121559 /nfs/dbraw/zinc/12/15/59/940121559.db2.gz IOAYPIJNGQDURU-KRWDZBQOSA-N 1 1 372.459 3.743 20 30 FHEDMO N#Cc1c(F)ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1Cl ZINC000365433294 940156561 /nfs/dbraw/zinc/15/65/61/940156561.db2.gz QPLRWSKHHLWZQI-MRXNPFEDSA-N 1 1 366.864 3.901 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000376003167 940171368 /nfs/dbraw/zinc/17/13/68/940171368.db2.gz JESBDZYTYDYTTR-KDOFPFPSSA-N 1 1 357.841 3.536 20 30 FHEDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1F ZINC000179963637 940174749 /nfs/dbraw/zinc/17/47/49/940174749.db2.gz FHYMXMNDPVPPDH-ORAYPTAESA-N 1 1 355.388 3.683 20 30 FHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000612610234 940180770 /nfs/dbraw/zinc/18/07/70/940180770.db2.gz IXUGFUFVAJSVEC-MRXNPFEDSA-N 1 1 367.880 3.948 20 30 FHEDMO CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000180083574 940441954 /nfs/dbraw/zinc/44/19/54/940441954.db2.gz XQXAPBCXPGTBGI-HXUWFJFHSA-N 1 1 352.482 3.740 20 30 FHEDMO C[C@H]1CCC[C@](CNCc2cn(C)nc2-c2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000180104110 940481935 /nfs/dbraw/zinc/48/19/35/940481935.db2.gz LUUVOCXJYKJPHO-JTSKRJEESA-N 1 1 365.525 3.559 20 30 FHEDMO N#Cc1csc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000580745894 940484608 /nfs/dbraw/zinc/48/46/08/940484608.db2.gz BRECGSMLEWWQBB-HKUYNNGSSA-N 1 1 352.507 3.501 20 30 FHEDMO CCC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCCCO1 ZINC000173348052 940612523 /nfs/dbraw/zinc/61/25/23/940612523.db2.gz FNGUUURCTSQTLX-MRXNPFEDSA-N 1 1 361.511 3.522 20 30 FHEDMO CCC[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCCCO1 ZINC000173348052 940612525 /nfs/dbraw/zinc/61/25/25/940612525.db2.gz FNGUUURCTSQTLX-MRXNPFEDSA-N 1 1 361.511 3.522 20 30 FHEDMO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000613460086 940725779 /nfs/dbraw/zinc/72/57/79/940725779.db2.gz DQLCJMGCJICAFB-UHFFFAOYSA-N 1 1 352.400 3.870 20 30 FHEDMO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000613460086 940725780 /nfs/dbraw/zinc/72/57/80/940725780.db2.gz DQLCJMGCJICAFB-UHFFFAOYSA-N 1 1 352.400 3.870 20 30 FHEDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000330085493 945350081 /nfs/dbraw/zinc/35/00/81/945350081.db2.gz RJHUIUJLVGDQOU-SJLPKXTDSA-N 1 1 352.862 3.588 20 30 FHEDMO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2ccc(CC#N)cc2)c1 ZINC000544145318 945353081 /nfs/dbraw/zinc/35/30/81/945353081.db2.gz HXHBQISXUHFBSP-UHFFFAOYSA-N 1 1 354.450 3.671 20 30 FHEDMO C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cn2)C[C@@H](C)O1 ZINC000330099721 945356022 /nfs/dbraw/zinc/35/60/22/945356022.db2.gz ZYYJNVAMPUEINT-MDZRGWNJSA-N 1 1 372.513 3.690 20 30 FHEDMO C[NH+](C)Cc1cnc(CNc2cccc(OC(F)(F)F)c2C#N)s1 ZINC000414294141 940908175 /nfs/dbraw/zinc/90/81/75/940908175.db2.gz DGXYDVYPTSYUCM-UHFFFAOYSA-N 1 1 356.373 3.587 20 30 FHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cccc(SCC#N)c2)C1 ZINC000176016369 940967647 /nfs/dbraw/zinc/96/76/47/940967647.db2.gz PIHVWAVCHOSBMU-CALCHBBNSA-N 1 1 359.539 3.790 20 30 FHEDMO C[NH+](C)[C@@H](CNC(=O)c1cccc(SCC#N)c1)c1ccccc1Cl ZINC000175994766 940969902 /nfs/dbraw/zinc/96/99/02/940969902.db2.gz WYOIXNRHQQSMSK-SFHVURJKSA-N 1 1 373.909 3.988 20 30 FHEDMO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(c3nnc4n3CCCC4)CC2)[C@H]1C ZINC000330127655 945367623 /nfs/dbraw/zinc/36/76/23/945367623.db2.gz DEZKGZFMPCHUIW-RYRKJORJSA-N 1 1 373.545 3.575 20 30 FHEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC(F)(F)F)c2)C1 ZINC001143472669 941032084 /nfs/dbraw/zinc/03/20/84/941032084.db2.gz SNQIJYXAPVFIQU-OAHLLOKOSA-N 1 1 372.387 3.770 20 30 FHEDMO CSCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000181422598 941160322 /nfs/dbraw/zinc/16/03/22/941160322.db2.gz SDAUXFQMCLFQAP-WMLDXEAASA-N 1 1 351.479 3.746 20 30 FHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000330021946 941333933 /nfs/dbraw/zinc/33/39/33/941333933.db2.gz YSYIZWQMKSKLNB-QGZVFWFLSA-N 1 1 367.428 3.744 20 30 FHEDMO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000376652557 941372237 /nfs/dbraw/zinc/37/22/37/941372237.db2.gz JRSLMZDPZLUVDL-UYAOXDASSA-N 1 1 367.518 3.586 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC(C)(C)CCC#N)cc1 ZINC000376654919 941372644 /nfs/dbraw/zinc/37/26/44/941372644.db2.gz BBPVILXITOLTFB-HNNXBMFYSA-N 1 1 353.470 3.871 20 30 FHEDMO CC(C)[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H](C)c1ccccc1 ZINC000589999742 941380292 /nfs/dbraw/zinc/38/02/92/941380292.db2.gz DIWRZJJKZDPQDP-NQIIRXRSSA-N 1 1 352.478 3.964 20 30 FHEDMO C[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376840640 941447496 /nfs/dbraw/zinc/44/74/96/941447496.db2.gz DPQPNCJETAQHQU-OAHLLOKOSA-N 1 1 368.506 3.591 20 30 FHEDMO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000376901502 941459958 /nfs/dbraw/zinc/45/99/58/941459958.db2.gz DVLPSBWPIKEDKC-SJORKVTESA-N 1 1 362.905 3.714 20 30 FHEDMO C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000376901502 941459961 /nfs/dbraw/zinc/45/99/61/941459961.db2.gz DVLPSBWPIKEDKC-SJORKVTESA-N 1 1 362.905 3.714 20 30 FHEDMO CC(C)(CCC#N)CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000377172145 941535700 /nfs/dbraw/zinc/53/57/00/941535700.db2.gz PUOOPROSYRRGDO-KRWDZBQOSA-N 1 1 356.514 3.939 20 30 FHEDMO C[C@@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000472680303 941553968 /nfs/dbraw/zinc/55/39/68/941553968.db2.gz YPUXRMFACDQOAY-ZWKOTPCHSA-N 1 1 364.493 3.829 20 30 FHEDMO C=CCN1C(=O)CCC12CC[NH+](Cc1c(F)c(F)ccc1OCC)CC2 ZINC001143490047 941590665 /nfs/dbraw/zinc/59/06/65/941590665.db2.gz FMEHDKPMYUZEJP-UHFFFAOYSA-N 1 1 364.436 3.507 20 30 FHEDMO CCC1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000472699643 941594760 /nfs/dbraw/zinc/59/47/60/941594760.db2.gz MVVASQXJSPYCNY-UHFFFAOYSA-N 1 1 368.525 3.746 20 30 FHEDMO C=CCC[C@@H](O)C[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000472743110 941661273 /nfs/dbraw/zinc/66/12/73/941661273.db2.gz APHYIBAJHLARMG-CQSZACIVSA-N 1 1 359.297 3.971 20 30 FHEDMO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000377466342 941748549 /nfs/dbraw/zinc/74/85/49/941748549.db2.gz XVYQPDVNYMTEKJ-ZAWLATJESA-N 1 1 362.539 3.619 20 30 FHEDMO C=CCc1cc(C[N@H+]2C[C@H](C(=O)NCCCC)CC[C@@H]2C)cc(OC)c1O ZINC000511524605 941794249 /nfs/dbraw/zinc/79/42/49/941794249.db2.gz SCUNXLVUNZSFPX-QFBILLFUSA-N 1 1 374.525 3.646 20 30 FHEDMO C=CCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000472797771 941810261 /nfs/dbraw/zinc/81/02/61/941810261.db2.gz ZDMQIXTUVAYXKY-UXHICEINSA-N 1 1 357.498 3.629 20 30 FHEDMO C=CCc1cc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c(O)c(OC)c1 ZINC000178885927 941812398 /nfs/dbraw/zinc/81/23/98/941812398.db2.gz IWHRJSWAXQPETF-FQEVSTJZSA-N 1 1 357.425 3.842 20 30 FHEDMO C=CCc1cc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c(O)c(OC)c1 ZINC000178885927 941812404 /nfs/dbraw/zinc/81/24/04/941812404.db2.gz IWHRJSWAXQPETF-FQEVSTJZSA-N 1 1 357.425 3.842 20 30 FHEDMO C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000549272777 941813196 /nfs/dbraw/zinc/81/31/96/941813196.db2.gz MLBNXLZTJRECPJ-UYAOXDASSA-N 1 1 371.573 3.896 20 30 FHEDMO CCc1ccc([C@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)cc1 ZINC000513360845 941868280 /nfs/dbraw/zinc/86/82/80/941868280.db2.gz FTLXCQYLRUKZOA-QFIPXVFZSA-N 1 1 361.489 3.616 20 30 FHEDMO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000513387154 941884806 /nfs/dbraw/zinc/88/48/06/941884806.db2.gz WPBBMOLIFCOSCI-GOSISDBHSA-N 1 1 361.445 3.863 20 30 FHEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000513387154 941884812 /nfs/dbraw/zinc/88/48/12/941884812.db2.gz WPBBMOLIFCOSCI-GOSISDBHSA-N 1 1 361.445 3.863 20 30 FHEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000366243302 941943489 /nfs/dbraw/zinc/94/34/89/941943489.db2.gz DYBDKRONPPRHQE-FCHUYYIVSA-N 1 1 361.420 3.847 20 30 FHEDMO CC[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000513497347 941964199 /nfs/dbraw/zinc/96/41/99/941964199.db2.gz VWFGDCYAYKEMIU-QFIPXVFZSA-N 1 1 360.457 3.973 20 30 FHEDMO CC(C)[N@@H+](C)CCCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513517690 941978028 /nfs/dbraw/zinc/97/80/28/941978028.db2.gz BWRCMCGYDCDXQJ-UHFFFAOYSA-N 1 1 365.477 3.597 20 30 FHEDMO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCc4[nH]cnc4C3)c2)c1 ZINC000377790566 941991924 /nfs/dbraw/zinc/99/19/24/941991924.db2.gz WWRRCKKDYNIBDS-IBGZPJMESA-N 1 1 358.445 3.507 20 30 FHEDMO C[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1)c1cccc(C#N)c1 ZINC000893078600 941992198 /nfs/dbraw/zinc/99/21/98/941992198.db2.gz ULBZRRSANYMPID-ZDUSSCGKSA-N 1 1 353.426 3.546 20 30 FHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433957327 942016013 /nfs/dbraw/zinc/01/60/13/942016013.db2.gz IQWMWGOLSIJTAX-NRFANRHFSA-N 1 1 368.525 3.743 20 30 FHEDMO CCC[N@@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000047726420 942074154 /nfs/dbraw/zinc/07/41/54/942074154.db2.gz DZGUOEFOHUXNKC-UHFFFAOYSA-N 1 1 353.441 3.568 20 30 FHEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000280350413 942164688 /nfs/dbraw/zinc/16/46/88/942164688.db2.gz SVEQMZSIHQWVSA-NRFANRHFSA-N 1 1 352.482 3.855 20 30 FHEDMO C=CCC[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000502007141 942166411 /nfs/dbraw/zinc/16/64/11/942166411.db2.gz FLFGQBHVCYQSNI-IRXDYDNUSA-N 1 1 370.415 3.550 20 30 FHEDMO C=CCC[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000502007141 942166414 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FHEDMO CCCOc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000434884909 943029916 /nfs/dbraw/zinc/02/99/16/943029916.db2.gz GJEHGVURNJFABC-UHFFFAOYSA-N 1 1 363.461 3.734 20 30 FHEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000416692583 943036452 /nfs/dbraw/zinc/03/64/52/943036452.db2.gz TZXWMBXDZBXGSM-DYESRHJHSA-N 1 1 368.525 3.747 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2C)cc1 ZINC000505583154 943082055 /nfs/dbraw/zinc/08/20/55/943082055.db2.gz ZLFUFZOGJSYEAX-XLIONFOSSA-N 1 1 357.498 3.842 20 30 FHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cc(F)cc(F)c1 ZINC000434985612 943086442 /nfs/dbraw/zinc/08/64/42/943086442.db2.gz JJLKVERJKLPMSP-UHFFFAOYSA-N 1 1 367.403 3.769 20 30 FHEDMO Cc1cc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)ccc1F ZINC000434989061 943088108 /nfs/dbraw/zinc/08/81/08/943088108.db2.gz ZINURZNUERVHSF-UHFFFAOYSA-N 1 1 363.440 3.938 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000272054547 943088463 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354.435 3.618 20 30 FHEDMO C[NH+]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000510022998 943221170 /nfs/dbraw/zinc/22/11/70/943221170.db2.gz IDRUQRHTSXNJMC-SFHVURJKSA-N 1 1 368.868 3.775 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000503593956 943280670 /nfs/dbraw/zinc/28/06/70/943280670.db2.gz GYPALOUUVGBXBV-SFHVURJKSA-N 1 1 368.525 3.754 20 30 FHEDMO C[C@H]1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000435263195 943289014 /nfs/dbraw/zinc/28/90/14/943289014.db2.gz OUZCFIRQHABINU-PGRDOPGGSA-N 1 1 373.500 3.759 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC1CCC(C#N)CC1 ZINC000514837469 943331341 /nfs/dbraw/zinc/33/13/41/943331341.db2.gz UTUNDAGVWGYGRG-HDYDNRTBSA-N 1 1 368.525 3.622 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435357417 943353939 /nfs/dbraw/zinc/35/39/39/943353939.db2.gz LDKXXGOPELGIBZ-XMSQKQJNSA-N 1 1 373.500 3.617 20 30 FHEDMO COCCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000425365998 943375956 /nfs/dbraw/zinc/37/59/56/943375956.db2.gz NTWXKZXVTUJPAH-MRXNPFEDSA-N 1 1 354.450 3.785 20 30 FHEDMO C=CCc1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc(OC)c1O ZINC000425374540 943395120 /nfs/dbraw/zinc/39/51/20/943395120.db2.gz SFOVUCFIPUCJLZ-NRFANRHFSA-N 1 1 357.494 3.910 20 30 FHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505698591 943428873 /nfs/dbraw/zinc/42/88/73/943428873.db2.gz YYWYYFWJJFYXNF-CABCVRRESA-N 1 1 353.919 3.726 20 30 FHEDMO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(c1nccc(C#N)c1Cl)CC2 ZINC000515080107 943490591 /nfs/dbraw/zinc/49/05/91/943490591.db2.gz JDOUTDUXBSVDSR-CQSZACIVSA-N 1 1 373.913 3.554 20 30 FHEDMO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(c1nccc(C#N)c1Cl)CC2 ZINC000515080107 943490594 /nfs/dbraw/zinc/49/05/94/943490594.db2.gz JDOUTDUXBSVDSR-CQSZACIVSA-N 1 1 373.913 3.554 20 30 FHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)CC2 ZINC000423381373 943496781 /nfs/dbraw/zinc/49/67/81/943496781.db2.gz ZNVFYIFHSQPZLM-MAODMQOUSA-N 1 1 353.416 3.559 20 30 FHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123010509 943638927 /nfs/dbraw/zinc/63/89/27/943638927.db2.gz OIQNBNXDPPRZIB-UHFFFAOYSA-N 1 1 360.211 3.861 20 30 FHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123010509 943638936 /nfs/dbraw/zinc/63/89/36/943638936.db2.gz OIQNBNXDPPRZIB-UHFFFAOYSA-N 1 1 360.211 3.861 20 30 FHEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000504686496 943745485 /nfs/dbraw/zinc/74/54/85/943745485.db2.gz FRUBOKAOGACIQB-ICSRJNTNSA-N 1 1 356.853 3.593 20 30 FHEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000504686496 943745490 /nfs/dbraw/zinc/74/54/90/943745490.db2.gz FRUBOKAOGACIQB-ICSRJNTNSA-N 1 1 356.853 3.593 20 30 FHEDMO N#Cc1ccc(C2=CCN(C(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000515355228 943820764 /nfs/dbraw/zinc/82/07/64/943820764.db2.gz DDICEWYGIROYQG-QHCPKHFHSA-N 1 1 371.484 3.696 20 30 FHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1Cl ZINC000437504570 943868523 /nfs/dbraw/zinc/86/85/23/943868523.db2.gz MBPGRSPBRWONCH-IAGOWNOFSA-N 1 1 363.914 3.900 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H](C)C2)c1C#N ZINC000123031930 943895342 /nfs/dbraw/zinc/89/53/42/943895342.db2.gz JLWBNDMAVBGXAF-HNNXBMFYSA-N 1 1 368.481 3.678 20 30 FHEDMO C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000425438383 943936749 /nfs/dbraw/zinc/93/67/49/943936749.db2.gz ANYAUPWTSVWPNY-QZTJIDSGSA-N 1 1 364.493 3.781 20 30 FHEDMO C[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000504983200 943942960 /nfs/dbraw/zinc/94/29/60/943942960.db2.gz ODRFUIMIKBFNGK-GFCCVEGCSA-N 1 1 374.897 3.841 20 30 FHEDMO C[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000504983200 943942966 /nfs/dbraw/zinc/94/29/66/943942966.db2.gz ODRFUIMIKBFNGK-GFCCVEGCSA-N 1 1 374.897 3.841 20 30 FHEDMO CCCCCCCCCC(=O)N1C[C@@H]2CC[N@H+](CCN(C)C)CC[C@@H]2C1 ZINC001270238091 943947790 /nfs/dbraw/zinc/94/77/90/943947790.db2.gz LFLRDHOXKOXGGG-OYRHEFFESA-N 1 1 365.606 3.859 20 30 FHEDMO CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCn1ccnc1 ZINC001270238483 943950754 /nfs/dbraw/zinc/95/07/54/943950754.db2.gz XZXFKRVCTFROFH-PMACEKPBSA-N 1 1 360.546 3.699 20 30 FHEDMO C=CCCc1ccccc1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000505001050 943953060 /nfs/dbraw/zinc/95/30/60/943953060.db2.gz NREQYPTVTXLXHH-QGZVFWFLSA-N 1 1 357.498 3.522 20 30 FHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2c(OC(C)C)ccc3ccccc32)C1=O ZINC000500020636 943959351 /nfs/dbraw/zinc/95/93/51/943959351.db2.gz RTULDDZNMSZZGM-FQEVSTJZSA-N 1 1 352.478 3.846 20 30 FHEDMO C=CCN1CC[C@H]([N@H+](C)Cc2c(OC(C)C)ccc3ccccc32)C1=O ZINC000500020636 943959355 /nfs/dbraw/zinc/95/93/55/943959355.db2.gz RTULDDZNMSZZGM-FQEVSTJZSA-N 1 1 352.478 3.846 20 30 FHEDMO C=CCN(C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H](C)COC ZINC000664519147 943975924 /nfs/dbraw/zinc/97/59/24/943975924.db2.gz HOOHLZMAXLKGAC-QKNQBKEWSA-N 1 1 373.541 3.520 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000500041766 943996950 /nfs/dbraw/zinc/99/69/50/943996950.db2.gz XPQGENNNHFEYHG-IAGOWNOFSA-N 1 1 362.477 3.993 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000425466820 944021943 /nfs/dbraw/zinc/02/19/43/944021943.db2.gz BWUSTPRHXPUQNK-MRXNPFEDSA-N 1 1 368.456 3.532 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000436121534 944034757 /nfs/dbraw/zinc/03/47/57/944034757.db2.gz ATULQLKUNPRVID-OAHLLOKOSA-N 1 1 351.450 3.622 20 30 FHEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3snc(Cl)c3C#N)c2)CCO1 ZINC000092622679 944067924 /nfs/dbraw/zinc/06/79/24/944067924.db2.gz GRTWEDLPVUYCJQ-LBPRGKRZSA-N 1 1 362.886 3.501 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3snc(Cl)c3C#N)c2)CCO1 ZINC000092622679 944067933 /nfs/dbraw/zinc/06/79/33/944067933.db2.gz GRTWEDLPVUYCJQ-LBPRGKRZSA-N 1 1 362.886 3.501 20 30 FHEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000424703059 944075916 /nfs/dbraw/zinc/07/59/16/944075916.db2.gz GMDFQANCFKDNKH-QUCCMNQESA-N 1 1 356.510 3.529 20 30 FHEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000517207512 944106670 /nfs/dbraw/zinc/10/66/70/944106670.db2.gz NZBFDVFPOPYEHI-OAHLLOKOSA-N 1 1 367.415 3.561 20 30 FHEDMO N#CC1(c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)cc2)CC1 ZINC000437855396 944175420 /nfs/dbraw/zinc/17/54/20/944175420.db2.gz XQUOMNSWPALUJE-FQEVSTJZSA-N 1 1 351.494 3.769 20 30 FHEDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000425512989 944184114 /nfs/dbraw/zinc/18/41/14/944184114.db2.gz NUCCECMULZHCSE-UHFFFAOYSA-N 1 1 357.841 3.684 20 30 FHEDMO C=CC[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1F ZINC000515776006 944200044 /nfs/dbraw/zinc/20/00/44/944200044.db2.gz CEXRBWIILHEEMU-UHFFFAOYSA-N 1 1 355.413 3.552 20 30 FHEDMO N#CC1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCC1 ZINC000418143083 944205675 /nfs/dbraw/zinc/20/56/75/944205675.db2.gz ORINFVMSCLXADI-UHFFFAOYSA-N 1 1 357.461 3.777 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000425531211 944256081 /nfs/dbraw/zinc/25/60/81/944256081.db2.gz GYKZHQPJXYMCPD-HNNXBMFYSA-N 1 1 355.869 3.911 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000425532232 944259377 /nfs/dbraw/zinc/25/93/77/944259377.db2.gz ISVVSUVOONXECB-PFAOJVKKSA-N 1 1 351.494 3.636 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000425532232 944259387 /nfs/dbraw/zinc/25/93/87/944259387.db2.gz ISVVSUVOONXECB-PFAOJVKKSA-N 1 1 351.494 3.636 20 30 FHEDMO COc1ccc2c(c1)CCCN2C(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535162 944281147 /nfs/dbraw/zinc/28/11/47/944281147.db2.gz GWGGEDGQGZYNKY-MRXNPFEDSA-N 1 1 363.461 3.539 20 30 FHEDMO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535162 944281153 /nfs/dbraw/zinc/28/11/53/944281153.db2.gz GWGGEDGQGZYNKY-MRXNPFEDSA-N 1 1 363.461 3.539 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000425536482 944283481 /nfs/dbraw/zinc/28/34/81/944283481.db2.gz OQRALKVTYFQDPK-KKSFZXQISA-N 1 1 358.445 3.618 20 30 FHEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)c(C#N)c1C ZINC000436413997 944286696 /nfs/dbraw/zinc/28/66/96/944286696.db2.gz OVYJWYLFPCNJAN-SFHVURJKSA-N 1 1 351.450 3.722 20 30 FHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccc(C)cc2)c(C#N)c1C ZINC000436413997 944286702 /nfs/dbraw/zinc/28/67/02/944286702.db2.gz OVYJWYLFPCNJAN-SFHVURJKSA-N 1 1 351.450 3.722 20 30 FHEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c(C#N)c1C ZINC000436413996 944286960 /nfs/dbraw/zinc/28/69/60/944286960.db2.gz OVYJWYLFPCNJAN-GOSISDBHSA-N 1 1 351.450 3.722 20 30 FHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c(C#N)c1C ZINC000436413996 944286964 /nfs/dbraw/zinc/28/69/64/944286964.db2.gz OVYJWYLFPCNJAN-GOSISDBHSA-N 1 1 351.450 3.722 20 30 FHEDMO CCC[N@@H+](Cc1ccc(C#N)s1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000126512823 944297451 /nfs/dbraw/zinc/29/74/51/944297451.db2.gz UWTJDALGVZSJAM-UHFFFAOYSA-N 1 1 369.538 3.908 20 30 FHEDMO C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000614524391 944314950 /nfs/dbraw/zinc/31/49/50/944314950.db2.gz XHYGGYXBQPDWTP-HNNXBMFYSA-N 1 1 362.477 3.796 20 30 FHEDMO CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000425554512 944325112 /nfs/dbraw/zinc/32/51/12/944325112.db2.gz WPROAIODPFCDPF-AWEZNQCLSA-N 1 1 367.415 3.521 20 30 FHEDMO COC(=O)C1(c2ccccc2)CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000438099845 944341481 /nfs/dbraw/zinc/34/14/81/944341481.db2.gz XLQDCXVIYAEIDO-UHFFFAOYSA-N 1 1 367.876 3.898 20 30 FHEDMO CCc1nc(C[NH+]2CCC(CNC(=O)N[C@@H]3CC[C@@H](C)C3)CC2)cs1 ZINC000330234202 944346541 /nfs/dbraw/zinc/34/65/41/944346541.db2.gz GIWAGLVJPQHYJR-GDBMZVCRSA-N 1 1 364.559 3.610 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc(C#N)c(C#N)nc1-c1ccccc1 ZINC001167752593 944357103 /nfs/dbraw/zinc/35/71/03/944357103.db2.gz WMIBRGJYPVAOQH-MRXNPFEDSA-N 1 1 360.465 3.563 20 30 FHEDMO N#CC1(c2ccccn2)CC[NH+](Cc2ccccc2OCC(F)F)CC1 ZINC000894665154 944371332 /nfs/dbraw/zinc/37/13/32/944371332.db2.gz LNARSHDKGVCVIU-UHFFFAOYSA-N 1 1 357.404 3.783 20 30 FHEDMO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](C)[N@@H+]1C ZINC000436504344 944375066 /nfs/dbraw/zinc/37/50/66/944375066.db2.gz OZWRHZHZYHSMHO-IYBDPMFKSA-N 1 1 364.449 3.907 20 30 FHEDMO COc1ccc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)c(OC)c1 ZINC000015366987 944406163 /nfs/dbraw/zinc/40/61/63/944406163.db2.gz WISITUGXPSELMI-FQEVSTJZSA-N 1 1 352.434 3.791 20 30 FHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(C#N)cs2)cc1 ZINC000438272871 944457347 /nfs/dbraw/zinc/45/73/47/944457347.db2.gz QWBQXXKJUJTHNA-HNNXBMFYSA-N 1 1 353.491 3.924 20 30 FHEDMO COCCOc1ccc(C#N)cc1N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000541559937 944458913 /nfs/dbraw/zinc/45/89/13/944458913.db2.gz QCDIPKCQAMSTCM-DYESRHJHSA-N 1 1 365.477 3.516 20 30 FHEDMO CC1(C)C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@H]1O ZINC000438334829 944515928 /nfs/dbraw/zinc/51/59/28/944515928.db2.gz ASVVUAZAVWDCDW-OAQYLSRUSA-N 1 1 350.462 3.730 20 30 FHEDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000439326390 944539147 /nfs/dbraw/zinc/53/91/47/944539147.db2.gz SSCFKNFUIYLPRF-YLJYHZDGSA-N 1 1 368.502 3.600 20 30 FHEDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000439326390 944539150 /nfs/dbraw/zinc/53/91/50/944539150.db2.gz SSCFKNFUIYLPRF-YLJYHZDGSA-N 1 1 368.502 3.600 20 30 FHEDMO CCOCOc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000783418546 944563196 /nfs/dbraw/zinc/56/31/96/944563196.db2.gz DVCGTLSKQMMUKJ-UHFFFAOYSA-N 1 1 365.477 3.643 20 30 FHEDMO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)c1cccc(OC)c1 ZINC000516198723 944570698 /nfs/dbraw/zinc/57/06/98/944570698.db2.gz YNMHQUKEGKUTBL-KRWDZBQOSA-N 1 1 357.498 3.763 20 30 FHEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000517747549 944573665 /nfs/dbraw/zinc/57/36/65/944573665.db2.gz XGALPUIWFXPIDW-IBGZPJMESA-N 1 1 351.406 3.984 20 30 FHEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000439454062 944639841 /nfs/dbraw/zinc/63/98/41/944639841.db2.gz REMQMAFBWPCPLC-UHFFFAOYSA-N 1 1 367.880 3.948 20 30 FHEDMO Cc1nc2ccc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)cc2s1 ZINC000426039746 944710084 /nfs/dbraw/zinc/71/00/84/944710084.db2.gz PDKCKVYFJCGLMM-UHFFFAOYSA-N 1 1 362.502 3.794 20 30 FHEDMO Cc1nc2ccc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2s1 ZINC000426039746 944710088 /nfs/dbraw/zinc/71/00/88/944710088.db2.gz PDKCKVYFJCGLMM-UHFFFAOYSA-N 1 1 362.502 3.794 20 30 FHEDMO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(C#N)cc1 ZINC000518813991 944808406 /nfs/dbraw/zinc/80/84/06/944808406.db2.gz JDPDNJKHSVIUKH-DYESRHJHSA-N 1 1 368.525 3.963 20 30 FHEDMO C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000518852231 944865275 /nfs/dbraw/zinc/86/52/75/944865275.db2.gz GPCGSPFWWPQTAB-MSOLQXFVSA-N 1 1 353.514 3.516 20 30 FHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438645225 944889386 /nfs/dbraw/zinc/88/93/86/944889386.db2.gz DHJXFNDAAXQPFC-BETUJISGSA-N 1 1 368.403 3.961 20 30 FHEDMO N#Cc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000505927960 944911177 /nfs/dbraw/zinc/91/11/77/944911177.db2.gz GPQDABRZONQSHA-GOSISDBHSA-N 1 1 355.388 3.654 20 30 FHEDMO N#Cc1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000511714949 944957636 /nfs/dbraw/zinc/95/76/36/944957636.db2.gz XEIJOLFDQYRLBH-QGZVFWFLSA-N 1 1 359.901 3.986 20 30 FHEDMO COc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001143562222 945005404 /nfs/dbraw/zinc/00/54/04/945005404.db2.gz DNXPRZYPBGUASE-SFHVURJKSA-N 1 1 358.388 3.888 20 30 FHEDMO COc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001143562222 945005416 /nfs/dbraw/zinc/00/54/16/945005416.db2.gz DNXPRZYPBGUASE-SFHVURJKSA-N 1 1 358.388 3.888 20 30 FHEDMO C[N@@H+](CCCNC(=O)Nc1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000426146898 945006401 /nfs/dbraw/zinc/00/64/01/945006401.db2.gz AJRUJOQOKRXNGD-UHFFFAOYSA-N 1 1 356.857 3.855 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000507221017 945039965 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351.397 3.769 20 30 FHEDMO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1C ZINC000330248528 945422968 /nfs/dbraw/zinc/42/29/68/945422968.db2.gz MHBKUXDCCMMMER-WMLDXEAASA-N 1 1 351.397 3.769 20 30 FHEDMO C[C@H](NC(=O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1)c1ccc2c(c1)CCCC2 ZINC000330256407 945429180 /nfs/dbraw/zinc/42/91/80/945429180.db2.gz KPCVWHYENTUNNB-HNNXBMFYSA-N 1 1 365.477 3.742 20 30 FHEDMO C[C@H](NC(=O)C[N@H+]1CCc2cc[nH]c(=O)c2C1)c1ccc2c(c1)CCCC2 ZINC000330256407 945429185 /nfs/dbraw/zinc/42/91/85/945429185.db2.gz KPCVWHYENTUNNB-HNNXBMFYSA-N 1 1 365.477 3.742 20 30 FHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)C[C@H]1CCOC1 ZINC000330266398 945433691 /nfs/dbraw/zinc/43/36/91/945433691.db2.gz PXHLDBIPLMJFRA-UONOGXRCSA-N 1 1 361.511 3.833 20 30 FHEDMO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c(C)c1 ZINC000330265640 945433966 /nfs/dbraw/zinc/43/39/66/945433966.db2.gz ZMSIMTUATKIKPX-KRWDZBQOSA-N 1 1 359.470 3.554 20 30 FHEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000330266730 945434055 /nfs/dbraw/zinc/43/40/55/945434055.db2.gz QBKQWOUQVWBLCZ-ILXRZTDVSA-N 1 1 358.486 3.538 20 30 FHEDMO Cc1nc(NC(=O)[C@H](C)N2CCC(Oc3cc[nH+]cc3C)CC2)sc1C ZINC000330286564 945446910 /nfs/dbraw/zinc/44/69/10/945446910.db2.gz ZZCIHINXKZZGDG-AWEZNQCLSA-N 1 1 374.510 3.983 20 30 FHEDMO CC(C)(C)[C@H]([NH2+]CCCC1(C#N)CCOCC1)C(=O)OCc1ccccc1 ZINC000281138763 945537733 /nfs/dbraw/zinc/53/77/33/945537733.db2.gz AKVLWIUYYAKZPL-LJQANCHMSA-N 1 1 372.509 3.835 20 30 FHEDMO C=CCN(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H](C)COC ZINC000664930628 945571513 /nfs/dbraw/zinc/57/15/13/945571513.db2.gz KBPPYTVLIGSEBL-PZJWPPBQSA-N 1 1 373.541 3.521 20 30 FHEDMO Cc1cnc(C2CC[NH+](CC(=O)NC(=O)NC3CCCCC3)CC2)s1 ZINC000330332886 945600682 /nfs/dbraw/zinc/60/06/82/945600682.db2.gz PHCMXZQTFAFJBE-UHFFFAOYSA-N 1 1 364.515 3.834 20 30 FHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000550048150 945632180 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20 30 FHEDMO CC(C)C[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccc(C#N)cc1 ZINC000519908769 945873687 /nfs/dbraw/zinc/87/36/87/945873687.db2.gz OXPGWBHAHVGSQK-UHFFFAOYSA-N 1 1 361.489 3.601 20 30 FHEDMO CC[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000441004456 946103462 /nfs/dbraw/zinc/10/34/62/946103462.db2.gz ZXOUSFDPVBPUCW-GRERDSQWSA-N 1 1 368.525 3.622 20 30 FHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000444250421 946124759 /nfs/dbraw/zinc/12/47/59/946124759.db2.gz WUUCETGUVGCOOC-IBGZPJMESA-N 1 1 370.518 3.959 20 30 FHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000444250421 946124767 /nfs/dbraw/zinc/12/47/67/946124767.db2.gz WUUCETGUVGCOOC-IBGZPJMESA-N 1 1 370.518 3.959 20 30 FHEDMO N#CC1CCC(CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000441025401 946127153 /nfs/dbraw/zinc/12/71/53/946127153.db2.gz GMRBBMBPUKLEBE-AFMYVXGZSA-N 1 1 360.546 3.660 20 30 FHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000045789708 946154820 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N#CCCn1cc(C(=O)C[N@H+]2CC[C@H](Nc3ccccc3)C2)c2ccccc21 ZINC000103481042 946305258 /nfs/dbraw/zinc/30/52/58/946305258.db2.gz YXKVXELZKSBGCJ-IBGZPJMESA-N 1 1 372.472 3.924 20 30 FHEDMO CCCc1c(NC(=O)[C@@H]2CCC[N@@H+]2CCC)cnn1-c1cccc(C#N)c1 ZINC000440084208 946312554 /nfs/dbraw/zinc/31/25/54/946312554.db2.gz VTGBXGFHDQDABT-FQEVSTJZSA-N 1 1 365.481 3.509 20 30 FHEDMO COc1c(C)cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)cc1C ZINC000101566423 946349740 /nfs/dbraw/zinc/34/97/40/946349740.db2.gz MMSJRISPOGMITO-INIZCTEOSA-N 1 1 351.450 3.643 20 30 FHEDMO COc1c(C)cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)cc1C ZINC000101566423 946349747 /nfs/dbraw/zinc/34/97/47/946349747.db2.gz MMSJRISPOGMITO-INIZCTEOSA-N 1 1 351.450 3.643 20 30 FHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001126122844 946417198 /nfs/dbraw/zinc/41/71/98/946417198.db2.gz GRYYLOLDYYINEU-AWEZNQCLSA-N 1 1 363.446 3.914 20 30 FHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC000896985753 946427021 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C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000506499692 944393298 /nfs/dbraw/zinc/39/32/98/944393298.db2.gz NHRBTVLCPABTMM-INIZCTEOSA-N 1 1 359.489 3.746 20 30 FHEDMO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000517574127 944398816 /nfs/dbraw/zinc/39/88/16/944398816.db2.gz GWQOQJSPRUXJHN-GOSISDBHSA-N 1 1 370.497 3.733 20 30 FHEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000506510839 944432715 /nfs/dbraw/zinc/43/27/15/944432715.db2.gz LUYPNWIZEKRWLH-MRXNPFEDSA-N 1 1 359.489 3.603 20 30 FHEDMO C=CCCCCCNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000517757350 944569932 /nfs/dbraw/zinc/56/99/32/944569932.db2.gz PDKLJCAGTGQDIB-QGZVFWFLSA-N 1 1 371.525 3.848 20 30 FHEDMO C=CCN1CC[C@H]([N@@H+](CC)[C@H](C)Cc2ccccc2C(F)(F)F)C1=O ZINC000499771268 944577852 /nfs/dbraw/zinc/57/78/52/944577852.db2.gz HXPJIVAOTNHMQB-PBHICJAKSA-N 1 1 354.416 3.745 20 30 FHEDMO NC(=O)c1ccc(C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000426373274 944583616 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3.695 20 30 FHEDMO CCCCCCCC(=O)N1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001270135039 944736007 /nfs/dbraw/zinc/73/60/07/944736007.db2.gz YHWUTEGPCRHZFN-UHFFFAOYSA-N 1 1 359.514 3.572 20 30 FHEDMO C=CCOc1cccc(CNCC2([NH+]3CCC(OC)CC3)CCCC2)c1 ZINC000518791784 944775093 /nfs/dbraw/zinc/77/50/93/944775093.db2.gz BRJAAAWQYLNPQB-UHFFFAOYSA-N 1 1 358.526 3.765 20 30 FHEDMO COc1ccc(-c2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cc2)cc1 ZINC000439614582 944813082 /nfs/dbraw/zinc/81/30/82/944813082.db2.gz AKZAZXHCRDBKLF-QFIPXVFZSA-N 1 1 371.440 3.550 20 30 FHEDMO C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000518852232 944865408 /nfs/dbraw/zinc/86/54/08/944865408.db2.gz GPCGSPFWWPQTAB-QZTJIDSGSA-N 1 1 353.514 3.516 20 30 FHEDMO N#Cc1ccc2ncc(C[NH+]3CCC(c4cccc(F)c4F)CC3)n2c1 ZINC000518858465 944871105 /nfs/dbraw/zinc/87/11/05/944871105.db2.gz JPQLQWBBKRMHAZ-UHFFFAOYSA-N 1 1 352.388 3.864 20 30 FHEDMO C[C@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000517977219 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356.514 3.629 20 30 FHEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000426160760 945053451 /nfs/dbraw/zinc/05/34/51/945053451.db2.gz KQOYZWHNUMTHQX-AWEZNQCLSA-N 1 1 356.857 3.854 20 30 FHEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000509547536 945057572 /nfs/dbraw/zinc/05/75/72/945057572.db2.gz ZZXAQHAITHMTGU-LJQANCHMSA-N 1 1 359.489 3.746 20 30 FHEDMO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000330166209 945384294 /nfs/dbraw/zinc/38/42/94/945384294.db2.gz VATJZCRWYXXVSF-INIZCTEOSA-N 1 1 373.545 3.719 20 30 FHEDMO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCSc2ccc(Cl)cc21 ZINC000330196218 945398477 /nfs/dbraw/zinc/39/84/77/945398477.db2.gz PXGPDCQEQQOIEK-OCCSQVGLSA-N 1 1 362.886 3.592 20 30 FHEDMO CC(C)c1csc([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC000330199610 945399132 /nfs/dbraw/zinc/39/91/32/945399132.db2.gz VQPACZHGIXPWCQ-CABCVRRESA-N 1 1 373.526 3.571 20 30 FHEDMO O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330209022 945402924 /nfs/dbraw/zinc/40/29/24/945402924.db2.gz BJIQACOZVAOBNL-INIZCTEOSA-N 1 1 355.463 3.960 20 30 FHEDMO O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330209022 945402928 /nfs/dbraw/zinc/40/29/28/945402928.db2.gz BJIQACOZVAOBNL-INIZCTEOSA-N 1 1 355.463 3.960 20 30 FHEDMO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)cc1 ZINC000330215448 945406279 /nfs/dbraw/zinc/40/62/79/945406279.db2.gz MJZHCYGRCSTCJP-CMKODMSKSA-N 1 1 371.525 3.530 20 30 FHEDMO O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330236144 945416978 /nfs/dbraw/zinc/41/69/78/945416978.db2.gz ZBDVXEVPFOZTTL-DGCLKSJQSA-N 1 1 361.339 3.519 20 30 FHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCc2ccccc2C1 ZINC000106888555 945426347 /nfs/dbraw/zinc/42/63/47/945426347.db2.gz XFPLPAKSQLCHFJ-AWEZNQCLSA-N 1 1 365.502 3.884 20 30 FHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCc2ccccc2C1 ZINC000106888555 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356.466 3.695 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCc3c(C)cccc3C2)c1C ZINC000729477388 945541199 /nfs/dbraw/zinc/54/11/99/945541199.db2.gz MLRIQXBTMQZLSD-UHFFFAOYSA-N 1 1 361.489 3.917 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCc3c(C)cccc3C2)c1C ZINC000729477388 945541207 /nfs/dbraw/zinc/54/12/07/945541207.db2.gz MLRIQXBTMQZLSD-UHFFFAOYSA-N 1 1 361.489 3.917 20 30 FHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H](CCO)C3)c2)c1 ZINC000093106990 945581773 /nfs/dbraw/zinc/58/17/73/945581773.db2.gz DAOYESYOHIKDHH-GOSISDBHSA-N 1 1 350.462 3.732 20 30 FHEDMO C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000661001771 945633991 /nfs/dbraw/zinc/63/39/91/945633991.db2.gz KGRVWJDPLBCOPA-QKNQBKEWSA-N 1 1 355.526 3.895 20 30 FHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(C)cc1C ZINC000519870510 945843739 /nfs/dbraw/zinc/84/37/39/945843739.db2.gz MMNJALMJJIUERM-OAQYLSRUSA-N 1 1 350.462 3.603 20 30 FHEDMO C=CCOCCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000550105829 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ZINC000032832308 568410246 /nfs/dbraw/zinc/41/02/46/568410246.db2.gz JOEGDUMWIOURHJ-YVEFUNNKSA-N 1 1 356.297 3.868 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000032832308 568410247 /nfs/dbraw/zinc/41/02/47/568410247.db2.gz JOEGDUMWIOURHJ-YVEFUNNKSA-N 1 1 356.297 3.868 20 30 FHEDMO N#Cc1ccc(CCC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000569951633 568444271 /nfs/dbraw/zinc/44/42/71/568444271.db2.gz HXPQCIRYCQDDJT-OAQYLSRUSA-N 1 1 353.510 3.652 20 30 FHEDMO N#Cc1cc(NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)ccn1 ZINC000570932331 568726996 /nfs/dbraw/zinc/72/69/96/568726996.db2.gz LCVWOQKDSHGPIY-UHFFFAOYSA-N 1 1 361.276 3.758 20 30 FHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cnc2ccccc2c1 ZINC000823914173 608631238 /nfs/dbraw/zinc/63/12/38/608631238.db2.gz CFJAZJSSZJSNKG-UHFFFAOYSA-N 1 1 356.433 3.603 20 30 FHEDMO N#Cc1cnc2cc[nH]c(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c1-2 ZINC001164626896 719092371 /nfs/dbraw/zinc/09/23/71/719092371.db2.gz JNJYDPDEFMSTPG-FXAWDEMLSA-N 1 1 357.461 3.535 20 30 FHEDMO Cc1cnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c(C#C[Si](C)(C)C)c1 ZINC001164769774 721293708 /nfs/dbraw/zinc/29/37/08/721293708.db2.gz MQNCLHDNILDSBT-UHFFFAOYSA-N 1 1 353.586 3.541 20 30 FHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1nnc(C(C)C)s1)c1ccc(F)c(F)c1 ZINC000187773535 936317766 /nfs/dbraw/zinc/31/77/66/936317766.db2.gz HEJORHZEKHKNIW-HNNXBMFYSA-N 1 1 366.437 3.785 20 30 FHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc3ccccc3o2)c(C#N)c1C ZINC000472275574 936360808 /nfs/dbraw/zinc/36/08/08/936360808.db2.gz JXFZQVBIVDZXFG-CYBMUJFWSA-N 1 1 351.406 3.973 20 30 FHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc3ccccc3o2)c(C#N)c1C ZINC000472275574 936360813 /nfs/dbraw/zinc/36/08/13/936360813.db2.gz JXFZQVBIVDZXFG-CYBMUJFWSA-N 1 1 351.406 3.973 20 30 FHEDMO C=C(C)COc1cc(C[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)ccc1OC ZINC000153789673 937099776 /nfs/dbraw/zinc/09/97/76/937099776.db2.gz ZSXBXSPAKHTNMG-QGZVFWFLSA-N 1 1 370.497 3.990 20 30 FHEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000161538532 937127531 /nfs/dbraw/zinc/12/75/31/937127531.db2.gz UDYGMZXSBTZAIC-CYBMUJFWSA-N 1 1 357.479 3.843 20 30 FHEDMO Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Br)c1 ZINC000430172070 927517525 /nfs/dbraw/zinc/51/75/25/927517525.db2.gz ZSLQQACFXJTKAV-INIZCTEOSA-N 1 1 372.266 3.678 20 30 FHEDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Br)c1 ZINC000430172070 927517528 /nfs/dbraw/zinc/51/75/28/927517528.db2.gz ZSLQQACFXJTKAV-INIZCTEOSA-N 1 1 372.266 3.678 20 30 FHEDMO CC1(C)CCc2cc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc2O1 ZINC000430179566 927582383 /nfs/dbraw/zinc/58/23/83/927582383.db2.gz PDKIUFIHXZAAKH-LJQANCHMSA-N 1 1 363.461 3.710 20 30 FHEDMO CC(C)([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccc(Cl)c1F ZINC000186892041 927625422 /nfs/dbraw/zinc/62/54/22/927625422.db2.gz FDRMRMXBWRLNOM-UHFFFAOYSA-N 1 1 351.853 3.646 20 30 FHEDMO CN(CC(C)(C)C#N)C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000458408557 937186335 /nfs/dbraw/zinc/18/63/35/937186335.db2.gz LCMOEDNIROFLCO-IBGZPJMESA-N 1 1 370.541 3.651 20 30 FHEDMO CCN(C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1)CC(F)(F)F ZINC000187116384 927923430 /nfs/dbraw/zinc/92/34/30/927923430.db2.gz GSASJRRQWNJGOM-ZDUSSCGKSA-N 1 1 359.823 3.918 20 30 FHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1)CC(F)(F)F ZINC000187116384 927923440 /nfs/dbraw/zinc/92/34/40/927923440.db2.gz GSASJRRQWNJGOM-ZDUSSCGKSA-N 1 1 359.823 3.918 20 30 FHEDMO COc1ccc(CNC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1OCCCC#N ZINC000064613995 927932467 /nfs/dbraw/zinc/93/24/67/927932467.db2.gz IFGBOHWMLWWZBN-QZTJIDSGSA-N 1 1 359.514 3.730 20 30 FHEDMO COc1ccc(CNC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1OCCCC#N ZINC000064613995 927932479 /nfs/dbraw/zinc/93/24/79/927932479.db2.gz IFGBOHWMLWWZBN-QZTJIDSGSA-N 1 1 359.514 3.730 20 30 FHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccc(F)c(F)c1 ZINC000187775560 937213980 /nfs/dbraw/zinc/21/39/80/937213980.db2.gz HSPKCRAZPSNMML-YVEFUNNKSA-N 1 1 350.434 3.938 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000187778218 937218885 /nfs/dbraw/zinc/21/88/85/937218885.db2.gz YCMHIIDGCWXQFY-HXUWFJFHSA-N 1 1 373.403 3.769 20 30 FHEDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000430215029 928204012 /nfs/dbraw/zinc/20/40/12/928204012.db2.gz BLWQSKVLTHWATE-UHFFFAOYSA-N 1 1 367.405 3.518 20 30 FHEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)c1C ZINC000610216538 928214465 /nfs/dbraw/zinc/21/44/65/928214465.db2.gz NIWGSBFAUKMGOU-NZQKXSOJSA-N 1 1 364.489 3.946 20 30 FHEDMO C[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000583212158 937244906 /nfs/dbraw/zinc/24/49/06/937244906.db2.gz KVRBANDECVBJPI-MRXNPFEDSA-N 1 1 358.239 3.671 20 30 FHEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000583212158 937244908 /nfs/dbraw/zinc/24/49/08/937244908.db2.gz KVRBANDECVBJPI-MRXNPFEDSA-N 1 1 358.239 3.671 20 30 FHEDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000583225143 937256398 /nfs/dbraw/zinc/25/63/98/937256398.db2.gz VRJSVVQQULJBKP-GOSISDBHSA-N 1 1 365.502 3.876 20 30 FHEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000583225143 937256402 /nfs/dbraw/zinc/25/64/02/937256402.db2.gz VRJSVVQQULJBKP-GOSISDBHSA-N 1 1 365.502 3.876 20 30 FHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208860279 928800502 /nfs/dbraw/zinc/80/05/02/928800502.db2.gz JHLJEOJVCGPAIZ-JOCHJYFZSA-N 1 1 367.493 3.601 20 30 FHEDMO C=CCOc1ccc(C[N@@H+](CCCC)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000179611514 928861560 /nfs/dbraw/zinc/86/15/60/928861560.db2.gz FEIFBSMZOJOJKG-MRXNPFEDSA-N 1 1 371.930 3.694 20 30 FHEDMO C=CCOc1ccc(C[N@H+](CCCC)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000179611514 928861569 /nfs/dbraw/zinc/86/15/69/928861569.db2.gz FEIFBSMZOJOJKG-MRXNPFEDSA-N 1 1 371.930 3.694 20 30 FHEDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(C#N)cc1 ZINC001208926315 929015217 /nfs/dbraw/zinc/01/52/17/929015217.db2.gz OJUHRLKKIJIDDZ-REPLKXPHSA-N 1 1 355.482 3.621 20 30 FHEDMO CS[C@H]1CCCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000134566247 929065725 /nfs/dbraw/zinc/06/57/25/929065725.db2.gz XQWNATGMQHIPSD-ZDUSSCGKSA-N 1 1 363.552 3.655 20 30 FHEDMO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000188252628 929100673 /nfs/dbraw/zinc/10/06/73/929100673.db2.gz ISPVBHFSNQRWCX-XMSQKQJNSA-N 1 1 358.526 3.906 20 30 FHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000583286155 937315699 /nfs/dbraw/zinc/31/56/99/937315699.db2.gz DXKKIYNKYONAMO-GFCCVEGCSA-N 1 1 357.267 3.663 20 30 FHEDMO C=C(C)C(=O)NCCCNc1[nH+]ccc2cc(-c3ccc(F)cc3)[nH]c21 ZINC001167666337 937334388 /nfs/dbraw/zinc/33/43/88/937334388.db2.gz HIFAGOOWDMTZHG-UHFFFAOYSA-N 1 1 352.413 3.863 20 30 FHEDMO C[C@@H]([N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000045769627 929546467 /nfs/dbraw/zinc/54/64/67/929546467.db2.gz SUICIWPWRUPPAL-CQSZACIVSA-N 1 1 354.416 3.540 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000246308795 929601275 /nfs/dbraw/zinc/60/12/75/929601275.db2.gz CICAMYLPDUTDQH-HZPDHXFCSA-N 1 1 358.461 3.816 20 30 FHEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](Nc4ccccc4)C3)o2)cc1 ZINC000154993422 929626106 /nfs/dbraw/zinc/62/61/06/929626106.db2.gz BTTQLGAPWZHUOH-LJQANCHMSA-N 1 1 359.433 3.685 20 30 FHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](Nc4ccccc4)C3)o2)cc1 ZINC000154993422 929626123 /nfs/dbraw/zinc/62/61/23/929626123.db2.gz BTTQLGAPWZHUOH-LJQANCHMSA-N 1 1 359.433 3.685 20 30 FHEDMO N#CCCC1CC[NH+](Cc2ccc(F)cc2I)CC1 ZINC000583323017 937346339 /nfs/dbraw/zinc/34/63/39/937346339.db2.gz UWTSXGZCYBLLGE-UHFFFAOYSA-N 1 1 372.225 3.946 20 30 FHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610348453 930062949 /nfs/dbraw/zinc/06/29/49/930062949.db2.gz KUURBTOQKBMXDP-KRWDZBQOSA-N 1 1 364.493 3.959 20 30 FHEDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cccc(C#N)c1 ZINC000610351041 930076526 /nfs/dbraw/zinc/07/65/26/930076526.db2.gz IUFKDLFZEIXSPG-UWJYYQICSA-N 1 1 368.525 3.963 20 30 FHEDMO COc1cc(Br)c(C[NH2+]Cc2cc(C#N)cs2)cc1OC ZINC000177697114 930168890 /nfs/dbraw/zinc/16/88/90/930168890.db2.gz JPOWPIVXVVQCHE-UHFFFAOYSA-N 1 1 367.268 3.689 20 30 FHEDMO CSCC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1nnc2ccccn21 ZINC000580132307 930292264 /nfs/dbraw/zinc/29/22/64/930292264.db2.gz XGHQMYSXXNLYQO-QZTJIDSGSA-N 1 1 363.490 3.672 20 30 FHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000580153779 930311313 /nfs/dbraw/zinc/31/13/13/930311313.db2.gz VIFLLZWSOHYKNK-JOCHJYFZSA-N 1 1 372.472 3.838 20 30 FHEDMO C[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1cccc(C#N)c1 ZINC000610400198 930368133 /nfs/dbraw/zinc/36/81/33/930368133.db2.gz UCWDQCUDRCTENF-KUHUBIRLSA-N 1 1 370.884 3.875 20 30 FHEDMO C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)c1cccc(C#N)c1 ZINC000610408461 930417048 /nfs/dbraw/zinc/41/70/48/930417048.db2.gz XVYOLSJJNQOSTK-WSTZPKSXSA-N 1 1 368.525 3.915 20 30 FHEDMO C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)c1cccc(C#N)c1 ZINC000074918446 930594829 /nfs/dbraw/zinc/59/48/29/930594829.db2.gz XVYOLSJJNQOSTK-HBFSDRIKSA-N 1 1 368.525 3.915 20 30 FHEDMO C=CC[N@@H+](CC1CCCCC1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC001167391330 930614693 /nfs/dbraw/zinc/61/46/93/930614693.db2.gz HREMIVWMTHUVPH-RXVVDRJESA-N 1 1 366.546 3.815 20 30 FHEDMO C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[NH+]1CC(C)C1 ZINC000580462911 930703981 /nfs/dbraw/zinc/70/39/81/930703981.db2.gz BANNDPPCGZLQRI-KRWDZBQOSA-N 1 1 363.461 3.610 20 30 FHEDMO Cc1c[nH+]cn1C1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000580843279 931259372 /nfs/dbraw/zinc/25/93/72/931259372.db2.gz ABBUITRPUKWKPL-UHFFFAOYSA-N 1 1 363.234 3.806 20 30 FHEDMO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000328761657 931419199 /nfs/dbraw/zinc/41/91/99/931419199.db2.gz YMMFRDSWPBFNPV-TZMCWYRMSA-N 1 1 360.483 3.938 20 30 FHEDMO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000328761657 931419205 /nfs/dbraw/zinc/41/92/05/931419205.db2.gz YMMFRDSWPBFNPV-TZMCWYRMSA-N 1 1 360.483 3.938 20 30 FHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000610476897 931557037 /nfs/dbraw/zinc/55/70/37/931557037.db2.gz RIQLSHZQUMXVLU-QGCDCVKKSA-N 1 1 368.452 3.715 20 30 FHEDMO N#CCCOCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000581144123 931614135 /nfs/dbraw/zinc/61/41/35/931614135.db2.gz CBIBAESSAKOXQD-MRXNPFEDSA-N 1 1 370.280 3.717 20 30 FHEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000581144123 931614146 /nfs/dbraw/zinc/61/41/46/931614146.db2.gz CBIBAESSAKOXQD-MRXNPFEDSA-N 1 1 370.280 3.717 20 30 FHEDMO C=CCCO[C@H](C)C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000581198238 931667050 /nfs/dbraw/zinc/66/70/50/931667050.db2.gz QNIQSZDVLFCFFI-MRXNPFEDSA-N 1 1 351.450 3.564 20 30 FHEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(F)c(F)cc1OC)C2 ZINC001143390764 931771957 /nfs/dbraw/zinc/77/19/57/931771957.db2.gz ZZPHUKWGZRWBRR-PMACEKPBSA-N 1 1 367.436 3.547 20 30 FHEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000477077985 931869807 /nfs/dbraw/zinc/86/98/07/931869807.db2.gz UWDKUFKUYRRVDO-HXUWFJFHSA-N 1 1 374.440 3.616 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c(OC(F)F)c1 ZINC000510406430 931944358 /nfs/dbraw/zinc/94/43/58/931944358.db2.gz MCTYHDCCEBVYRO-KRWDZBQOSA-N 1 1 368.387 3.956 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c(OC(F)F)c1 ZINC000510406430 931944370 /nfs/dbraw/zinc/94/43/70/931944370.db2.gz MCTYHDCCEBVYRO-KRWDZBQOSA-N 1 1 368.387 3.956 20 30 FHEDMO CC[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000581461421 932094494 /nfs/dbraw/zinc/09/44/94/932094494.db2.gz ONDRBAVZGMKVIU-SFHVURJKSA-N 1 1 350.422 3.567 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000078573009 932530964 /nfs/dbraw/zinc/53/09/64/932530964.db2.gz FSFIIDYVKGNYEA-ZBFHGGJFSA-N 1 1 372.494 3.956 20 30 FHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000328824381 932717312 /nfs/dbraw/zinc/71/73/12/932717312.db2.gz HAAIIARBSFIQMG-UXHICEINSA-N 1 1 369.509 3.690 20 30 FHEDMO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000559150039 932741138 /nfs/dbraw/zinc/74/11/38/932741138.db2.gz PBOXHPKHZXUVJI-WDMOLILDSA-N 1 1 361.243 3.842 20 30 FHEDMO CC(C)(C#N)C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001143399165 932767017 /nfs/dbraw/zinc/76/70/17/932767017.db2.gz ISIXEOQSKXYLAQ-OAQYLSRUSA-N 1 1 361.489 3.839 20 30 FHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@](F)(c3ccccc3F)C2)c1 ZINC000581896559 932915100 /nfs/dbraw/zinc/91/51/00/932915100.db2.gz JEQGIUMDYXTUED-HXUWFJFHSA-N 1 1 355.388 3.597 20 30 FHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@](F)(c3ccccc3F)C2)c1 ZINC000581896559 932915106 /nfs/dbraw/zinc/91/51/06/932915106.db2.gz JEQGIUMDYXTUED-HXUWFJFHSA-N 1 1 355.388 3.597 20 30 FHEDMO COc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000074992379 933093679 /nfs/dbraw/zinc/09/36/79/933093679.db2.gz DEVYYKKXIVPRLY-MRXNPFEDSA-N 1 1 363.461 3.773 20 30 FHEDMO N#Cc1ccc(CN2CCC[N@@H+](CCSCc3ccccc3)CC2)cc1 ZINC000430763504 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RGOVBYPDMZKLHI-ICSRJNTNSA-N 1 1 367.541 3.906 20 30 FHEDMO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000563392207 935830562 /nfs/dbraw/zinc/83/05/62/935830562.db2.gz GISWSLYJNUMZPZ-GOSISDBHSA-N 1 1 360.461 3.593 20 30 FHEDMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1(C)C ZINC000472238591 935904976 /nfs/dbraw/zinc/90/49/76/935904976.db2.gz JURSJEJLQNXVSR-RTWAWAEBSA-N 1 1 367.493 3.873 20 30 FHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1(C)C ZINC000472238591 935904977 /nfs/dbraw/zinc/90/49/77/935904977.db2.gz JURSJEJLQNXVSR-RTWAWAEBSA-N 1 1 367.493 3.873 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 ZINC000187764081 935957802 /nfs/dbraw/zinc/95/78/02/935957802.db2.gz CMDSDFYPRDNPBW-LJQANCHMSA-N 1 1 362.445 3.818 20 30 FHEDMO N#Cc1ccccc1/C=C\C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000255525485 935967737 /nfs/dbraw/zinc/96/77/37/935967737.db2.gz UPRHCSMMIWYPPN-YPKPFQOOSA-N 1 1 373.500 3.739 20 30 FHEDMO 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CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cnccc2C#N)c1 ZINC000514188220 942815517 /nfs/dbraw/zinc/81/55/17/942815517.db2.gz BWOQDVSNYVBOJV-UHFFFAOYSA-N 1 1 350.466 3.505 20 30 FHEDMO CC1(C)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000190191274 942849806 /nfs/dbraw/zinc/84/98/06/942849806.db2.gz AFLVSRLIPIIOQV-HNNXBMFYSA-N 1 1 353.388 3.797 20 30 FHEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000434725860 942897025 /nfs/dbraw/zinc/89/70/25/942897025.db2.gz JRSNKWARTJYVIU-MRXNPFEDSA-N 1 1 351.450 3.979 20 30 FHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000046751866 942916032 /nfs/dbraw/zinc/91/60/32/942916032.db2.gz MZLMNJUTOXDNBW-IBGZPJMESA-N 1 1 370.541 3.992 20 30 FHEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000184006096 942955948 /nfs/dbraw/zinc/95/59/48/942955948.db2.gz YJLRALXCGXPOFH-KRWDZBQOSA-N 1 1 368.506 3.549 20 30 FHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(C)c1nc2ccccc2s1 ZINC000434838313 942995687 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352.478 3.903 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000558098383 943721674 /nfs/dbraw/zinc/72/16/74/943721674.db2.gz KECJNYBNTFJLBR-SUMWQHHRSA-N 1 1 350.304 3.625 20 30 FHEDMO CC(C)[N@@H+]1CC[C@H](Nc2cc(C#N)ncn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000515298308 943782805 /nfs/dbraw/zinc/78/28/05/943782805.db2.gz JAEQHOZOUSUSRU-WMZOPIPTSA-N 1 1 359.836 3.777 20 30 FHEDMO CC(C)[N@H+]1CC[C@H](Nc2cc(C#N)ncn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000515298308 943782811 /nfs/dbraw/zinc/78/28/11/943782811.db2.gz JAEQHOZOUSUSRU-WMZOPIPTSA-N 1 1 359.836 3.777 20 30 FHEDMO N#Cc1ccc(CN2CC[NH+](Cc3cccs3)CC2)c(OC(F)F)c1 ZINC000437428624 943798601 /nfs/dbraw/zinc/79/86/01/943798601.db2.gz MJRNOLIPEWBCMQ-UHFFFAOYSA-N 1 1 363.433 3.539 20 30 FHEDMO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000424255729 943807356 /nfs/dbraw/zinc/80/73/56/943807356.db2.gz UVPBXIDDXSTKFI-ULQDDVLXSA-N 1 1 363.575 3.589 20 30 FHEDMO C=CCn1cc(C[NH2+][C@H](C)c2sc(-c3ccccc3F)nc2C)nn1 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N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1Cl ZINC000444699959 947124881 /nfs/dbraw/zinc/12/48/81/947124881.db2.gz FJRBKJUSVLHIGC-NSHDSACASA-N 1 1 359.779 3.815 20 30 FHEDMO COC(=O)[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1C ZINC000444700369 947127645 /nfs/dbraw/zinc/12/76/45/947127645.db2.gz GARFAROHGVUCTN-RXVVDRJESA-N 1 1 362.473 3.770 20 30 FHEDMO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000328974967 947129676 /nfs/dbraw/zinc/12/96/76/947129676.db2.gz PUBOBTCAQWEYBH-SFGWALBWSA-N 1 1 374.525 3.824 20 30 FHEDMO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000328974964 947129736 /nfs/dbraw/zinc/12/97/36/947129736.db2.gz PUBOBTCAQWEYBH-JUXOCIIHSA-N 1 1 374.525 3.824 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444711310 947139910 /nfs/dbraw/zinc/13/99/10/947139910.db2.gz UQKBXAYZXNGBHH-KGLIPLIRSA-N 1 1 360.445 3.926 20 30 FHEDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 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C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(Cl)c(N)c2Cl)C[C@@H](C)O1 ZINC000330939908 947314597 /nfs/dbraw/zinc/31/45/97/947314597.db2.gz CCJHGMJKPGDRDT-GHMZBOCLSA-N 1 1 374.312 3.768 20 30 FHEDMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1NC(=O)NC(C)(C)C ZINC000330923399 947321729 /nfs/dbraw/zinc/32/17/29/947321729.db2.gz DFHZEPUCOSQISL-CRAIPNDOSA-N 1 1 374.529 3.962 20 30 FHEDMO CCNC(=O)c1ccc(C)c(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000331105926 947347740 /nfs/dbraw/zinc/34/77/40/947347740.db2.gz GGLODOSSFPIBKU-NVXWUHKLSA-N 1 1 360.502 3.670 20 30 FHEDMO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000331119479 947351386 /nfs/dbraw/zinc/35/13/86/947351386.db2.gz LRBZNEUXOQDQSB-NVXWUHKLSA-N 1 1 360.502 3.694 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(NC(C)=O)cc2Cl)C[C@H]1C ZINC000331125987 947353447 /nfs/dbraw/zinc/35/34/47/947353447.db2.gz NSYPGLASTQOCDB-DOMZBBRYSA-N 1 1 366.893 3.649 20 30 FHEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000523550868 947365577 /nfs/dbraw/zinc/36/55/77/947365577.db2.gz DZMXSYFXDYMKRA-IBGZPJMESA-N 1 1 372.509 3.800 20 30 FHEDMO Cc1ccc(Cl)c(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1C ZINC000331238337 947379002 /nfs/dbraw/zinc/37/90/02/947379002.db2.gz LJHLQZBTGZLHKD-INIZCTEOSA-N 1 1 353.894 3.640 20 30 FHEDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1-n1cncn1 ZINC000093872146 947432756 /nfs/dbraw/zinc/43/27/56/947432756.db2.gz FSBDAAXIKIKTPX-UNMCSNQZSA-N 1 1 357.461 3.848 20 30 FHEDMO Cn1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(-c2cccnc2)n1 ZINC000093872252 947437467 /nfs/dbraw/zinc/43/74/67/947437467.db2.gz IIQPJRGTHKAMCH-SFTDATJTSA-N 1 1 357.461 3.754 20 30 FHEDMO Cn1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(-c2cccnc2)n1 ZINC000093872252 947437475 /nfs/dbraw/zinc/43/74/75/947437475.db2.gz IIQPJRGTHKAMCH-SFTDATJTSA-N 1 1 357.461 3.754 20 30 FHEDMO CN(C(=O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)C1(C#N)CCCCC1 ZINC000523634546 947466963 /nfs/dbraw/zinc/46/69/63/947466963.db2.gz 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COc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1OCCCC#N ZINC000414490049 942301675 /nfs/dbraw/zinc/30/16/75/942301675.db2.gz UVRFYOLSVUEJMX-WOJBJXKFSA-N 1 1 366.461 3.686 20 30 FHEDMO C=CCN1CC[C@@H]([N@@H+](C)C/C(C)=C\c2ccccc2C(F)(F)F)C1=O ZINC000502357304 942377467 /nfs/dbraw/zinc/37/74/67/942377467.db2.gz WUKGSAISGZZVPU-BHEFUSTPSA-N 1 1 352.400 3.827 20 30 FHEDMO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000421323569 942482058 /nfs/dbraw/zinc/48/20/58/942482058.db2.gz ILIFUWNRHRYNEX-CALCHBBNSA-N 1 1 367.468 3.596 20 30 FHEDMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000502508217 942485485 /nfs/dbraw/zinc/48/54/85/942485485.db2.gz QCJCKFUDOBPCSC-QFIPXVFZSA-N 1 1 362.473 3.704 20 30 FHEDMO COC(=O)c1cccc(OCC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502497734 942492259 /nfs/dbraw/zinc/49/22/59/942492259.db2.gz YMMCKYVSWXFFFC-UHFFFAOYSA-N 1 1 362.429 3.513 20 30 FHEDMO N#Cc1ccc(C2=CC[N@H+](CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)cc1 ZINC000502528952 942503076 /nfs/dbraw/zinc/50/30/76/942503076.db2.gz MMMDQXOXTBIERJ-YADHBBJMSA-N 1 1 363.505 3.829 20 30 FHEDMO N#Cc1ccc(C2=CC[N@@H+](CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)cc1 ZINC000502528952 942503079 /nfs/dbraw/zinc/50/30/79/942503079.db2.gz MMMDQXOXTBIERJ-YADHBBJMSA-N 1 1 363.505 3.829 20 30 FHEDMO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548771 942527920 /nfs/dbraw/zinc/52/79/20/942527920.db2.gz PAXXLGGYRUZPKE-KRWDZBQOSA-N 1 1 357.457 3.625 20 30 FHEDMO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548771 942527925 /nfs/dbraw/zinc/52/79/25/942527925.db2.gz PAXXLGGYRUZPKE-KRWDZBQOSA-N 1 1 357.457 3.625 20 30 FHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000501533807 942535535 /nfs/dbraw/zinc/53/55/35/942535535.db2.gz JSWTXJCEMKHUIZ-QZTJIDSGSA-N 1 1 356.514 3.600 20 30 FHEDMO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502554539 942536033 /nfs/dbraw/zinc/53/60/33/942536033.db2.gz QROSRLVCUVKHCS-DYESRHJHSA-N 1 1 351.494 3.827 20 30 FHEDMO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502554539 942536036 /nfs/dbraw/zinc/53/60/36/942536036.db2.gz QROSRLVCUVKHCS-DYESRHJHSA-N 1 1 351.494 3.827 20 30 FHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000502639112 942605843 /nfs/dbraw/zinc/60/58/43/942605843.db2.gz XWWAGQNIQZSGRZ-QGZVFWFLSA-N 1 1 358.486 3.731 20 30 FHEDMO C=C(C)[C@@H](CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)OCC ZINC000425076772 942642074 /nfs/dbraw/zinc/64/20/74/942642074.db2.gz GOHSATNDENIFIS-CQSZACIVSA-N 1 1 351.516 3.610 20 30 FHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC000366982833 942643108 /nfs/dbraw/zinc/64/31/08/942643108.db2.gz PGEPZPVNZXOXJP-FQEVSTJZSA-N 1 1 371.484 3.810 20 30 FHEDMO CC[N@H+](Cc1ccncc1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000502731296 942700320 /nfs/dbraw/zinc/70/03/20/942700320.db2.gz BSCBLCXTPRVPAG-LJQANCHMSA-N 1 1 364.493 3.856 20 30 FHEDMO CC[N@@H+](Cc1ccncc1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000502731296 942700327 /nfs/dbraw/zinc/70/03/27/942700327.db2.gz BSCBLCXTPRVPAG-LJQANCHMSA-N 1 1 364.493 3.856 20 30 FHEDMO Cc1nc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c2n1CCCC2 ZINC000378395660 942705963 /nfs/dbraw/zinc/70/59/63/942705963.db2.gz MBYGHPVFCAMMRS-UHFFFAOYSA-N 1 1 374.492 3.595 20 30 FHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(F)cc(F)c1OC)C2 ZINC001143559935 942737423 /nfs/dbraw/zinc/73/74/23/942737423.db2.gz BLVJTNWGWFIIII-AZUAARDMSA-N 1 1 367.436 3.547 20 30 FHEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000378425174 942750080 /nfs/dbraw/zinc/75/00/80/942750080.db2.gz SRMUKWGAOREJQB-NHCUHLMSSA-N 1 1 374.488 3.651 20 30 FHEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000434620357 942791623 /nfs/dbraw/zinc/79/16/23/942791623.db2.gz XNRAVWKLNYSPSE-FQEVSTJZSA-N 1 1 374.481 3.800 20 30 FHEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000434620357 942791629 /nfs/dbraw/zinc/79/16/29/942791629.db2.gz XNRAVWKLNYSPSE-FQEVSTJZSA-N 1 1 374.481 3.800 20 30 FHEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000378475756 942804961 /nfs/dbraw/zinc/80/49/61/942804961.db2.gz PFZWUAXFSOTJLI-UIFIKXQLSA-N 1 1 357.498 3.670 20 30 FHEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000514238468 942853240 /nfs/dbraw/zinc/85/32/40/942853240.db2.gz SGPVCDGCEYIDLE-QGZVFWFLSA-N 1 1 365.477 3.597 20 30 FHEDMO Cc1cc(C)c(C#N)c(SC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000430098487 942909912 /nfs/dbraw/zinc/90/99/12/942909912.db2.gz DCGIBMCBDHJFNW-LJQANCHMSA-N 1 1 367.518 3.953 20 30 FHEDMO CCn1nccc1C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000434757287 942946728 /nfs/dbraw/zinc/94/67/28/942946728.db2.gz MQYOZNSDGOZDHJ-UHFFFAOYSA-N 1 1 373.298 3.917 20 30 FHEDMO C[N@H+](CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000505539785 942989336 /nfs/dbraw/zinc/98/93/36/942989336.db2.gz JIHYFRLDRJWVSZ-INIZCTEOSA-N 1 1 362.260 3.806 20 30 FHEDMO C[N@@H+](CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000505539785 942989341 /nfs/dbraw/zinc/98/93/41/942989341.db2.gz JIHYFRLDRJWVSZ-INIZCTEOSA-N 1 1 362.260 3.806 20 30 FHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000184247792 942989423 /nfs/dbraw/zinc/98/94/23/942989423.db2.gz BIMATJGCWUTQTO-PGRDOPGGSA-N 1 1 350.462 3.811 20 30 FHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000184247792 942989428 /nfs/dbraw/zinc/98/94/28/942989428.db2.gz BIMATJGCWUTQTO-PGRDOPGGSA-N 1 1 350.462 3.811 20 30 FHEDMO Cn1cc([C@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccccc2)cn1 ZINC000378645581 942995223 /nfs/dbraw/zinc/99/52/23/942995223.db2.gz FBNNDOLSXHFGLX-JOCHJYFZSA-N 1 1 360.461 3.982 20 30 FHEDMO COCC[N@@H+](C)CC[C@H](Nc1ncc2c(c1C#N)CCC2)c1ccccc1 ZINC000425230466 943021348 /nfs/dbraw/zinc/02/13/48/943021348.db2.gz SSZFZVQFUDZTOI-NRFANRHFSA-N 1 1 364.493 3.563 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416699682 943050207 /nfs/dbraw/zinc/05/02/07/943050207.db2.gz YTAANUNHGPYWLY-DYESRHJHSA-N 1 1 368.525 3.889 20 30 FHEDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000184974160 943076955 /nfs/dbraw/zinc/07/69/55/943076955.db2.gz AELSOSYUFGTKHO-GOSISDBHSA-N 1 1 368.550 3.977 20 30 FHEDMO C=CCc1cc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc(OC)c1O ZINC000434989325 943089130 /nfs/dbraw/zinc/08/91/30/943089130.db2.gz CBMCXKHCVSHAAQ-FQEVSTJZSA-N 1 1 352.478 3.618 20 30 FHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000435042832 943109814 /nfs/dbraw/zinc/10/98/14/943109814.db2.gz WXZBMPIOBXODDB-AYBZRNKSSA-N 1 1 365.502 3.678 20 30 FHEDMO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272222071 943116470 /nfs/dbraw/zinc/11/64/70/943116470.db2.gz CFCLKMOOUVIBFP-YLJYHZDGSA-N 1 1 362.477 3.785 20 30 FHEDMO N#CC1(CC[NH+]2CCN(c3ncnc4ccsc43)CC2)CCCCC1 ZINC000514586447 943125514 /nfs/dbraw/zinc/12/55/14/943125514.db2.gz UMBNHPGKXRJEFR-UHFFFAOYSA-N 1 1 355.511 3.677 20 30 FHEDMO N#Cc1cc([N+](=O)[O-])cnc1S[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000425274993 943161678 /nfs/dbraw/zinc/16/16/78/943161678.db2.gz BFLCNZWQDHAPAL-KRWDZBQOSA-N 1 1 354.435 3.618 20 30 FHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435132547 943185639 /nfs/dbraw/zinc/18/56/39/943185639.db2.gz KBYULEJUEACJJV-OALUTQOASA-N 1 1 369.538 3.965 20 30 FHEDMO C#CCOc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000236687102 943194959 /nfs/dbraw/zinc/19/49/59/943194959.db2.gz NBDJCKNMSPQGLJ-NOTZXAQLSA-N 1 1 360.501 3.984 20 30 FHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000435160475 943216044 /nfs/dbraw/zinc/21/60/44/943216044.db2.gz HYIZGNGUKNAIMW-KDOFPFPSSA-N 1 1 352.413 3.654 20 30 FHEDMO N#Cc1cccc(OCC[N@H+]2CCc3c(Br)cccc3C2)c1 ZINC000503585760 943276037 /nfs/dbraw/zinc/27/60/37/943276037.db2.gz FZWZFMWNSFWMCZ-UHFFFAOYSA-N 1 1 357.251 3.758 20 30 FHEDMO N#Cc1cccc(OCC[N@@H+]2CCc3c(Br)cccc3C2)c1 ZINC000503585760 943276047 /nfs/dbraw/zinc/27/60/47/943276047.db2.gz FZWZFMWNSFWMCZ-UHFFFAOYSA-N 1 1 357.251 3.758 20 30 FHEDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CCC#N)CC2)[C@@H]1c1cccs1 ZINC000584717698 943480579 /nfs/dbraw/zinc/48/05/79/943480579.db2.gz JTKMKGRXOPCRCY-PKOBYXMFSA-N 1 1 374.554 3.856 20 30 FHEDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000515260975 943597360 /nfs/dbraw/zinc/59/73/60/943597360.db2.gz ZQYKKTWUPPJFKY-UHFFFAOYSA-N 1 1 362.351 3.996 20 30 FHEDMO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cc1 ZINC000504465406 943633005 /nfs/dbraw/zinc/63/30/05/943633005.db2.gz SEBMWJPNJNZAPF-MRXNPFEDSA-N 1 1 369.852 3.648 20 30 FHEDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cc1 ZINC000504465406 943633008 /nfs/dbraw/zinc/63/30/08/943633008.db2.gz SEBMWJPNJNZAPF-MRXNPFEDSA-N 1 1 369.852 3.648 20 30 FHEDMO CN1CCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)[C@@H](c2ccccc2)C1 ZINC000584810999 943650300 /nfs/dbraw/zinc/65/03/00/943650300.db2.gz XKLBDRSHMOZIMJ-DNQXCXABSA-N 1 1 374.532 3.514 20 30 FHEDMO C=CCc1cc(C[N@@H+](CC)Cc2ccc3c(c2)OCO3)cc(OC)c1O ZINC000506050445 943813748 /nfs/dbraw/zinc/81/37/48/943813748.db2.gz AWUQXBLNBVZTJG-UHFFFAOYSA-N 1 1 355.434 3.880 20 30 FHEDMO C=CCn1cc(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)nn1 ZINC000424293307 943823136 /nfs/dbraw/zinc/82/31/36/943823136.db2.gz IHKZYBYMKJHSNJ-CQSZACIVSA-N 1 1 353.289 3.529 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000506061535 943871500 /nfs/dbraw/zinc/87/15/00/943871500.db2.gz NSLBDIKBFIHMDP-SFTDATJTSA-N 1 1 367.489 3.653 20 30 FHEDMO C[C@@H]1C[C@H](Nc2c(C#N)cnc3c(Br)cccc32)C[N@H+]1C1CC1 ZINC000584502662 943928159 /nfs/dbraw/zinc/92/81/59/943928159.db2.gz POKKUGBOAPZKFB-YPMHNXCESA-N 1 1 371.282 3.906 20 30 FHEDMO C[C@H]1C[C@H](CCNc2nccc(C#N)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000511641562 943929115 /nfs/dbraw/zinc/92/91/15/943929115.db2.gz CFGNPFFXAJOARR-RDJZCZTQSA-N 1 1 365.437 3.574 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000515518502 943950474 /nfs/dbraw/zinc/95/04/74/943950474.db2.gz JMIJYBIPCVECBK-UXHICEINSA-N 1 1 369.553 3.740 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000515518502 943950479 /nfs/dbraw/zinc/95/04/79/943950479.db2.gz JMIJYBIPCVECBK-UXHICEINSA-N 1 1 369.553 3.740 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000515518502 943950484 /nfs/dbraw/zinc/95/04/84/943950484.db2.gz JMIJYBIPCVECBK-UXHICEINSA-N 1 1 369.553 3.740 20 30 FHEDMO Cc1cc(C)c(C#N)c(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)n1 ZINC000515555215 943990527 /nfs/dbraw/zinc/99/05/27/943990527.db2.gz XMYDOALQNKRFSD-UHFFFAOYSA-N 1 1 356.420 3.925 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3snc(Cl)c3C#N)c2)CCO1 ZINC000092622677 944069812 /nfs/dbraw/zinc/06/98/12/944069812.db2.gz GRTWEDLPVUYCJQ-GFCCVEGCSA-N 1 1 362.886 3.501 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3snc(Cl)c3C#N)c2)CCO1 ZINC000092622677 944069821 /nfs/dbraw/zinc/06/98/21/944069821.db2.gz GRTWEDLPVUYCJQ-GFCCVEGCSA-N 1 1 362.886 3.501 20 30 FHEDMO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC000437832848 944143701 /nfs/dbraw/zinc/14/37/01/944143701.db2.gz ISGOYOOTUPHKAD-LJQANCHMSA-N 1 1 372.509 3.787 20 30 FHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000436253499 944146305 /nfs/dbraw/zinc/14/63/05/944146305.db2.gz MPZGVJQPRSWJFQ-SFHVURJKSA-N 1 1 356.491 3.569 20 30 FHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000436253499 944146308 /nfs/dbraw/zinc/14/63/08/944146308.db2.gz MPZGVJQPRSWJFQ-SFHVURJKSA-N 1 1 356.491 3.569 20 30 FHEDMO N#CCSc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437837585 944169949 /nfs/dbraw/zinc/16/99/49/944169949.db2.gz JPQXWHYAHVYHBL-SFHVURJKSA-N 1 1 357.523 3.829 20 30 FHEDMO COC(=O)c1ccc(COc2ccccc2C[NH2+]CC2(C#N)CCC2)cc1 ZINC000418143579 944194832 /nfs/dbraw/zinc/19/48/32/944194832.db2.gz QKXHPDILJWQFDS-UHFFFAOYSA-N 1 1 364.445 3.836 20 30 FHEDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)C[C@H]1c1ccc(F)cc1F ZINC000425515530 944196963 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Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000425538795 944271822 /nfs/dbraw/zinc/27/18/22/944271822.db2.gz SNQXCZRMGQOFAC-INIZCTEOSA-N 1 1 364.449 3.516 20 30 FHEDMO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000425538795 944271827 /nfs/dbraw/zinc/27/18/27/944271827.db2.gz SNQXCZRMGQOFAC-INIZCTEOSA-N 1 1 364.449 3.516 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000425548273 944300923 /nfs/dbraw/zinc/30/09/23/944300923.db2.gz YITOSQXPKKGPAC-QGZVFWFLSA-N 1 1 367.518 3.850 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000425548273 944300931 /nfs/dbraw/zinc/30/09/31/944300931.db2.gz YITOSQXPKKGPAC-QGZVFWFLSA-N 1 1 367.518 3.850 20 30 FHEDMO CCC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000425549124 944302510 /nfs/dbraw/zinc/30/25/10/944302510.db2.gz NPETVSDJQNDMNC-QGTPRVQTSA-N 1 1 362.905 3.714 20 30 FHEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@H+]1C ZINC000438062001 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ZINC000517663767 944488270 /nfs/dbraw/zinc/48/82/70/944488270.db2.gz JVHODTNHBGPIHK-IBGZPJMESA-N 1 1 363.461 3.759 20 30 FHEDMO C=CCN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H](C)COC ZINC000664841598 944492311 /nfs/dbraw/zinc/49/23/11/944492311.db2.gz RNEJSUFZVVNIBQ-ICSRJNTNSA-N 1 1 373.541 3.520 20 30 FHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000092802509 944495660 /nfs/dbraw/zinc/49/56/60/944495660.db2.gz OLWJIQKJDPDRIU-INIZCTEOSA-N 1 1 356.495 3.585 20 30 FHEDMO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439323011 944537580 /nfs/dbraw/zinc/53/75/80/944537580.db2.gz QRFDOYIWAUORAZ-OAHLLOKOSA-N 1 1 365.880 3.609 20 30 FHEDMO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000613743031 944547059 /nfs/dbraw/zinc/54/70/59/944547059.db2.gz OMLBDUYFIBHSIZ-QFIPXVFZSA-N 1 1 360.436 3.756 20 30 FHEDMO C=CCOc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390624371 944580392 /nfs/dbraw/zinc/58/03/92/944580392.db2.gz HPCJHTPLIWRPPK-HSZRJFAPSA-N 1 1 366.505 3.632 20 30 FHEDMO C=CCOc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390624371 944580397 /nfs/dbraw/zinc/58/03/97/944580397.db2.gz HPCJHTPLIWRPPK-HSZRJFAPSA-N 1 1 366.505 3.632 20 30 FHEDMO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000439422177 944594220 /nfs/dbraw/zinc/59/42/20/944594220.db2.gz MKPZAHZLYJIMSD-IYBDPMFKSA-N 1 1 361.917 3.533 20 30 FHEDMO COc1ccc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000312746760 944597563 /nfs/dbraw/zinc/59/75/63/944597563.db2.gz VPPGQCUKWCXXOL-NRFANRHFSA-N 1 1 363.505 3.959 20 30 FHEDMO COc1ccc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000312746760 944597568 /nfs/dbraw/zinc/59/75/68/944597568.db2.gz VPPGQCUKWCXXOL-NRFANRHFSA-N 1 1 363.505 3.959 20 30 FHEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(Cl)c1 ZINC000439434770 944610368 /nfs/dbraw/zinc/61/03/68/944610368.db2.gz TUZQWZOPLFGMPU-UHFFFAOYSA-N 1 1 359.901 3.873 20 30 FHEDMO C=CCOc1ccccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506248630 944668956 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CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000499869702 944778432 /nfs/dbraw/zinc/77/84/32/944778432.db2.gz XHXOLVPDPTYQKZ-NWDGAFQWSA-N 1 1 354.376 3.523 20 30 FHEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000438566345 944802297 /nfs/dbraw/zinc/80/22/97/944802297.db2.gz IMNXPOPCSUJMSW-NRFANRHFSA-N 1 1 365.502 3.928 20 30 FHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000438566345 944802306 /nfs/dbraw/zinc/80/23/06/944802306.db2.gz IMNXPOPCSUJMSW-NRFANRHFSA-N 1 1 365.502 3.928 20 30 FHEDMO C=C(C)[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000188172290 944804738 /nfs/dbraw/zinc/80/47/38/944804738.db2.gz ZIAIIZPLUKMQPM-WMZOPIPTSA-N 1 1 363.408 3.777 20 30 FHEDMO COc1ccc(-c2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)cc2)cc1 ZINC000439614580 944812825 /nfs/dbraw/zinc/81/28/25/944812825.db2.gz AKZAZXHCRDBKLF-JOCHJYFZSA-N 1 1 371.440 3.550 20 30 FHEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438647990 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359.470 3.640 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@]3(C)CCC(=O)NC3)c2)C[C@H](C)O1 ZINC000328635589 946961024 /nfs/dbraw/zinc/96/10/24/946961024.db2.gz CCRKFBYRUJWMNB-QEEYODRMSA-N 1 1 359.470 3.640 20 30 FHEDMO Cc1ccc2nc(NC(=O)C[N@H+]3CC[C@@H](C4CCOCC4)C3)sc2c1 ZINC000328812065 947032868 /nfs/dbraw/zinc/03/28/68/947032868.db2.gz FNPDFOFCVFOODR-OAHLLOKOSA-N 1 1 359.495 3.941 20 30 FHEDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000328791989 947048843 /nfs/dbraw/zinc/04/88/43/947048843.db2.gz RECISYRXFGYSRM-UONOGXRCSA-N 1 1 369.494 3.886 20 30 FHEDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000328791989 947048852 /nfs/dbraw/zinc/04/88/52/947048852.db2.gz RECISYRXFGYSRM-UONOGXRCSA-N 1 1 369.494 3.886 20 30 FHEDMO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000444658781 947077298 /nfs/dbraw/zinc/07/72/98/947077298.db2.gz BOPDKQKFCGLXDE-GFCCVEGCSA-N 1 1 369.375 3.592 20 30 FHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000598596372 947079802 /nfs/dbraw/zinc/07/98/02/947079802.db2.gz PAAUJSOAKYSILL-FQEVSTJZSA-N 1 1 355.457 3.566 20 30 FHEDMO COC(=O)[C@]1(C)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444643214 947086165 /nfs/dbraw/zinc/08/61/65/947086165.db2.gz SYUUMLCSPFUIDN-JOCHJYFZSA-N 1 1 362.473 3.771 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000444686145 947088246 /nfs/dbraw/zinc/08/82/46/947088246.db2.gz RMGYRUFDYLUKTM-LJQANCHMSA-N 1 1 361.489 3.985 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)c2)C[C@H](C)O1 ZINC000328960243 947125274 /nfs/dbraw/zinc/12/52/74/947125274.db2.gz PLBAVFMMSSGEHV-LISAXSMJSA-N 1 1 358.482 3.889 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)c2)C[C@H](C)O1 ZINC000328960243 947125277 /nfs/dbraw/zinc/12/52/77/947125277.db2.gz PLBAVFMMSSGEHV-LISAXSMJSA-N 1 1 358.482 3.889 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1c(F)cc(C#N)cc1F ZINC000500438255 947129997 /nfs/dbraw/zinc/12/99/97/947129997.db2.gz FJCFUYOUIWKARH-HUUCEWRRSA-N 1 1 369.415 3.571 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1c(F)cc(C#N)cc1F ZINC000500438255 947130003 /nfs/dbraw/zinc/13/00/03/947130003.db2.gz FJCFUYOUIWKARH-HUUCEWRRSA-N 1 1 369.415 3.571 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1C ZINC000444705249 947133746 /nfs/dbraw/zinc/13/37/46/947133746.db2.gz MOPXLZQCZUFTIY-INIZCTEOSA-N 1 1 367.415 3.824 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1C ZINC000444705249 947133750 /nfs/dbraw/zinc/13/37/50/947133750.db2.gz MOPXLZQCZUFTIY-INIZCTEOSA-N 1 1 367.415 3.824 20 30 FHEDMO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000328992611 947136970 /nfs/dbraw/zinc/13/69/70/947136970.db2.gz FVRGOBPWFDKIGZ-OAHLLOKOSA-N 1 1 360.454 3.675 20 30 FHEDMO C=CC[C@@H]1[N@H+](Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)CCCC1(C)C ZINC000444781275 947196514 /nfs/dbraw/zinc/19/65/14/947196514.db2.gz GQBIWPKKBWVYKY-KRWDZBQOSA-N 1 1 369.465 3.689 20 30 FHEDMO C=CC[C@@H]1[N@@H+](Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)CCCC1(C)C ZINC000444781275 947196522 /nfs/dbraw/zinc/19/65/22/947196522.db2.gz GQBIWPKKBWVYKY-KRWDZBQOSA-N 1 1 369.465 3.689 20 30 FHEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444771779 947207595 /nfs/dbraw/zinc/20/75/95/947207595.db2.gz RQXPXOWLMURMOJ-OAHLLOKOSA-N 1 1 350.853 3.967 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2cccc(C#N)c2)cc1 ZINC000121499679 947208553 /nfs/dbraw/zinc/20/85/53/947208553.db2.gz WULFHKSFIFMWBF-HNNXBMFYSA-N 1 1 359.433 3.613 20 30 FHEDMO N#CCc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000444773953 947208887 /nfs/dbraw/zinc/20/88/87/947208887.db2.gz UFJKVWFOPRZARA-UHFFFAOYSA-N 1 1 350.853 3.600 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2cccc(C#N)c2)cc1 ZINC000121499511 947209262 /nfs/dbraw/zinc/20/92/62/947209262.db2.gz WULFHKSFIFMWBF-OAHLLOKOSA-N 1 1 359.433 3.613 20 30 FHEDMO C=CC[C@H]1[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CCCC1(C)C ZINC000444778115 947213506 /nfs/dbraw/zinc/21/35/06/947213506.db2.gz HNGCGNIIUZXJEC-TZIWHRDSSA-N 1 1 369.553 3.696 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000662080882 947214879 /nfs/dbraw/zinc/21/48/79/947214879.db2.gz NDJJUXFWEROXGZ-QKLQHJQFSA-N 1 1 370.493 3.550 20 30 FHEDMO CC(C)NC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000330578466 947219041 /nfs/dbraw/zinc/21/90/41/947219041.db2.gz HMTMNDOKCQUSPT-CVEARBPZSA-N 1 1 360.502 3.846 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000662085577 947222297 /nfs/dbraw/zinc/22/22/97/947222297.db2.gz HMQCFUYVCJIPKE-YSIASYRMSA-N 1 1 364.493 3.999 20 30 FHEDMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000444784654 947226646 /nfs/dbraw/zinc/22/66/46/947226646.db2.gz WCZWLKQVDXVCPG-INIZCTEOSA-N 1 1 367.415 3.921 20 30 FHEDMO 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ZINC000523489446 947306327 /nfs/dbraw/zinc/30/63/27/947306327.db2.gz KJPRIOUEKRZHLT-AWEZNQCLSA-N 1 1 370.415 3.684 20 30 FHEDMO CC[N@H+]1CCC[C@H](NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)C1 ZINC000330981607 947325983 /nfs/dbraw/zinc/32/59/83/947325983.db2.gz NYZHKPPXCQWCIN-ZDUSSCGKSA-N 1 1 350.532 3.593 20 30 FHEDMO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000331004096 947331758 /nfs/dbraw/zinc/33/17/58/947331758.db2.gz YHDCPSZGXPPUAV-CYBMUJFWSA-N 1 1 364.559 3.841 20 30 FHEDMO CC(C)c1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(C(C)C)c1 ZINC000331156015 947360022 /nfs/dbraw/zinc/36/00/22/947360022.db2.gz DHKPAQNASPDLOA-SJORKVTESA-N 1 1 361.530 3.866 20 30 FHEDMO Cc1ccc(Cl)c(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000331248169 947380336 /nfs/dbraw/zinc/38/03/36/947380336.db2.gz QXKRJQLKQUZYHV-OAHLLOKOSA-N 1 1 353.894 3.640 20 30 FHEDMO CCN(CC)C(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000331308961 947383875 /nfs/dbraw/zinc/38/38/75/947383875.db2.gz YBVNQRXKNBLZFT-LPHOPBHVSA-N 1 1 374.529 3.519 20 30 FHEDMO CC(C)c1csc([C@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)n1 ZINC000127767137 947608998 /nfs/dbraw/zinc/60/89/98/947608998.db2.gz JFFGZRHYMDRDIS-KXBFYZLASA-N 1 1 362.543 3.500 20 30 FHEDMO CC(C)c1csc([C@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)n1 ZINC000127767137 947609002 /nfs/dbraw/zinc/60/90/02/947609002.db2.gz JFFGZRHYMDRDIS-KXBFYZLASA-N 1 1 362.543 3.500 20 30 FHEDMO Cc1ccc(C#N)cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001126243839 947840557 /nfs/dbraw/zinc/84/05/57/947840557.db2.gz OPPPUYPYQVLJMK-GHTZIAJQSA-N 1 1 361.489 3.992 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189818018 947843249 /nfs/dbraw/zinc/84/32/49/947843249.db2.gz VPYMABRLKBDZKI-HKUYNNGSSA-N 1 1 358.507 3.757 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189818018 947843257 /nfs/dbraw/zinc/84/32/57/947843257.db2.gz VPYMABRLKBDZKI-HKUYNNGSSA-N 1 1 358.507 3.757 20 30 FHEDMO COCc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000549613528 948020671 /nfs/dbraw/zinc/02/06/71/948020671.db2.gz MBZBVPRTZOIHTL-UHFFFAOYSA-N 1 1 355.869 3.680 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cc(Br)cs1 ZINC000549613787 948026301 /nfs/dbraw/zinc/02/63/01/948026301.db2.gz XVTYUXAXAFWQRI-LBPRGKRZSA-N 1 1 359.333 3.756 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000549613787 948026308 /nfs/dbraw/zinc/02/63/08/948026308.db2.gz XVTYUXAXAFWQRI-LBPRGKRZSA-N 1 1 359.333 3.756 20 30 FHEDMO C=CCC(C)(C)CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000458812773 948142850 /nfs/dbraw/zinc/14/28/50/948142850.db2.gz RFGMOEFHGABLCU-WOJBJXKFSA-N 1 1 355.526 3.752 20 30 FHEDMO COc1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)cc1OCCCC#N ZINC000585743457 948249681 /nfs/dbraw/zinc/24/96/81/948249681.db2.gz REAPHGUHZPKTAE-UHFFFAOYSA-N 1 1 364.449 3.586 20 30 FHEDMO C=CCN(C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@@H](C)COC ZINC000663583202 948251356 /nfs/dbraw/zinc/25/13/56/948251356.db2.gz REXHEXYIYDEVPR-OALUTQOASA-N 1 1 373.541 3.651 20 30 FHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000512050555 948309819 /nfs/dbraw/zinc/30/98/19/948309819.db2.gz CUIGJIZDORXSIC-UHFFFAOYSA-N 1 1 367.415 3.900 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000512050555 948309826 /nfs/dbraw/zinc/30/98/26/948309826.db2.gz CUIGJIZDORXSIC-UHFFFAOYSA-N 1 1 367.415 3.900 20 30 FHEDMO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520128037 948420474 /nfs/dbraw/zinc/42/04/74/948420474.db2.gz RECYEXWTYBWMGV-JOCHJYFZSA-N 1 1 363.505 3.701 20 30 FHEDMO CN(C(=O)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000520698219 948603838 /nfs/dbraw/zinc/60/38/38/948603838.db2.gz JBVDLMXUUWOKDF-FQEVSTJZSA-N 1 1 353.510 3.626 20 30 FHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000512166097 948605122 /nfs/dbraw/zinc/60/51/22/948605122.db2.gz MFFYADNKFRTZFA-LJQANCHMSA-N 1 1 373.493 3.515 20 30 FHEDMO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000549641349 948783375 /nfs/dbraw/zinc/78/33/75/948783375.db2.gz MPGPBNRJMPEFIX-INIZCTEOSA-N 1 1 359.543 3.751 20 30 FHEDMO N#Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000109548406 209309158 /nfs/dbraw/zinc/30/91/58/209309158.db2.gz KBVNMHMQUIBZCF-LJQANCHMSA-N 1 1 373.378 3.951 20 30 FHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000109105386 209298330 /nfs/dbraw/zinc/29/83/30/209298330.db2.gz NJUFUSMKKKWTHF-HSZRJFAPSA-N 1 1 370.456 3.794 20 30 FHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000109105386 209298332 /nfs/dbraw/zinc/29/83/32/209298332.db2.gz NJUFUSMKKKWTHF-HSZRJFAPSA-N 1 1 370.456 3.794 20 30 FHEDMO CN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@H]1CCC[C@@H]1C#N ZINC000601819575 567847741 /nfs/dbraw/zinc/84/77/41/567847741.db2.gz LMFIKUJPOINLSN-LMMKCTJWSA-N 1 1 354.498 3.644 20 30 FHEDMO CN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H]1CCC[C@@H]1C#N ZINC000601819578 567847847 /nfs/dbraw/zinc/84/78/47/567847847.db2.gz LMFIKUJPOINLSN-ZHALLVOQSA-N 1 1 354.498 3.644 20 30 FHEDMO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cc(Cl)ccc1Cl ZINC000186776557 567982587 /nfs/dbraw/zinc/98/25/87/567982587.db2.gz JAQYMSPBTYPLHK-LBPRGKRZSA-N 1 1 354.281 3.987 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602856899 568002507 /nfs/dbraw/zinc/00/25/07/568002507.db2.gz SZARLYOKVBMKOX-UYAOXDASSA-N 1 1 362.477 3.596 20 30 FHEDMO Cc1ccc2ncc(C#N)c(N3CC[NH+]([C@H](C)c4cccnc4)CC3)c2c1 ZINC000568581913 568064941 /nfs/dbraw/zinc/06/49/41/568064941.db2.gz SUDIAAGVYLTOLD-QGZVFWFLSA-N 1 1 357.461 3.693 20 30 FHEDMO Cc1cc(C#N)cc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000568597461 568074723 /nfs/dbraw/zinc/07/47/23/568074723.db2.gz DCWSPJJCPCYIOI-SFTDATJTSA-N 1 1 374.488 3.853 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)CC2CCCCC2)cc1 ZINC000603457164 568104469 /nfs/dbraw/zinc/10/44/69/568104469.db2.gz UTMBTONOEBTDIU-UHFFFAOYSA-N 1 1 357.498 3.844 20 30 FHEDMO O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330288522 568131045 /nfs/dbraw/zinc/13/10/45/568131045.db2.gz DBTYJXCJTSPALP-MJGOQNOKSA-N 1 1 373.472 3.685 20 30 FHEDMO CN(C(=O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000604017672 568199433 /nfs/dbraw/zinc/19/94/33/568199433.db2.gz RXQKRINWKPETSL-LJQANCHMSA-N 1 1 357.473 3.517 20 30 FHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000330308179 568222081 /nfs/dbraw/zinc/22/20/81/568222081.db2.gz SPBNQXGRJQXKJK-KXBFYZLASA-N 1 1 358.442 3.638 20 30 FHEDMO N#Cc1csc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)n1 ZINC000569038630 568277699 /nfs/dbraw/zinc/27/76/99/568277699.db2.gz SRPFZLUGTFOHRZ-OAHLLOKOSA-N 1 1 364.877 3.734 20 30 FHEDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000604500709 568301684 /nfs/dbraw/zinc/30/16/84/568301684.db2.gz KPARMFMJRBNLIF-UHFFFAOYSA-N 1 1 359.489 3.669 20 30 FHEDMO COc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1OCCCC#N ZINC000563150134 568304331 /nfs/dbraw/zinc/30/43/31/568304331.db2.gz MOADQLNKKVUNED-MOPGFXCFSA-N 1 1 358.482 3.769 20 30 FHEDMO CC(C)[C@H](C#N)N1CC[NH+](CCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000609484389 568344560 /nfs/dbraw/zinc/34/45/60/568344560.db2.gz BGTITAIUHVGACU-NRFANRHFSA-N 1 1 357.542 3.919 20 30 FHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000570679370 568495232 /nfs/dbraw/zinc/49/52/32/568495232.db2.gz UEHSQGKCFFINLV-NRFANRHFSA-N 1 1 350.487 3.933 20 30 FHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc2ccccc2n1 ZINC000735425583 599443236 /nfs/dbraw/zinc/44/32/36/599443236.db2.gz CGOUQYNNGKEDEU-UHFFFAOYSA-N 1 1 356.433 3.603 20 30 FHEDMO CC(C)c1[nH+]c(C=CC(=O)c2ccc(-c3nn[nH]n3)s2)c2ccccn21 ZINC000824358233 608092474 /nfs/dbraw/zinc/09/24/74/608092474.db2.gz CXFRNORGWFNAAP-SREVYHEPSA-N 1 1 364.434 3.595 20 30 FHEDMO N#Cc1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164627288 719057783 /nfs/dbraw/zinc/05/77/83/719057783.db2.gz QKYHWXQRQAGPLK-IEBWSBKVSA-N 1 1 352.869 3.707 20 30 FHEDMO C=CC[NH+]1CCN(c2nc(C)c(Cc3ccc(Cl)cc3)c(C)n2)CC1 ZINC001165035734 721872469 /nfs/dbraw/zinc/87/24/69/721872469.db2.gz WKBRTSPGXKDJOK-UHFFFAOYSA-N 1 1 356.901 3.646 20 30 FHEDMO Cc1cc(C#N)cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164998531 722211627 /nfs/dbraw/zinc/21/16/27/722211627.db2.gz WTSWJHUAQAOQSA-NRFANRHFSA-N 1 1 350.441 3.646 20 30 FHEDMO Cc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c(C#N)c3)CC2)cs1 ZINC000166542438 936317303 /nfs/dbraw/zinc/31/73/03/936317303.db2.gz FTGLHWSDJJBDFL-UHFFFAOYSA-N 1 1 371.466 3.556 20 30 FHEDMO C[C@@H]1[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccccc1 ZINC000431515615 936371959 /nfs/dbraw/zinc/37/19/59/936371959.db2.gz BQVKTCCYIBYGJR-NMNUPHIUSA-N 1 1 373.500 3.642 20 30 FHEDMO C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccccc1 ZINC000431515615 936371964 /nfs/dbraw/zinc/37/19/64/936371964.db2.gz BQVKTCCYIBYGJR-NMNUPHIUSA-N 1 1 373.500 3.642 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)C1 ZINC000255563890 936380898 /nfs/dbraw/zinc/38/08/98/936380898.db2.gz VHVYGZWXNIMREQ-DBBWNDPISA-N 1 1 351.494 3.684 20 30 FHEDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)c1C ZINC000161531244 937128770 /nfs/dbraw/zinc/12/87/70/937128770.db2.gz YGOXEANHZHLBLO-INIZCTEOSA-N 1 1 351.450 3.665 20 30 FHEDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)c1C ZINC000161531244 937128772 /nfs/dbraw/zinc/12/87/72/937128772.db2.gz YGOXEANHZHLBLO-INIZCTEOSA-N 1 1 351.450 3.665 20 30 FHEDMO C[N@@H+](CCc1cccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1)C1CC1 ZINC000471102692 927123121 /nfs/dbraw/zinc/12/31/21/927123121.db2.gz BJWCSSANNCCTAF-FQEVSTJZSA-N 1 1 372.472 3.516 20 30 FHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000583114934 937141368 /nfs/dbraw/zinc/14/13/68/937141368.db2.gz HDPCKROIBJXVQR-UHFFFAOYSA-N 1 1 364.367 3.931 20 30 FHEDMO COc1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1OCCCC#N ZINC000579726059 927206091 /nfs/dbraw/zinc/20/60/91/927206091.db2.gz WJQQPNLFDFFTJB-MJGOQNOKSA-N 1 1 360.498 3.893 20 30 FHEDMO Cc1ccc(OC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000116882432 927245669 /nfs/dbraw/zinc/24/56/69/927245669.db2.gz DYJRVGUHDRDHAN-GOSISDBHSA-N 1 1 369.509 3.569 20 30 FHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCC[C@@H]1C ZINC000120107359 927253208 /nfs/dbraw/zinc/25/32/08/927253208.db2.gz RRALIUQWYLOYLS-QFBILLFUSA-N 1 1 365.481 3.583 20 30 FHEDMO Cc1cc(C#N)nc(N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000557647737 927275189 /nfs/dbraw/zinc/27/51/89/927275189.db2.gz YIJYPUVVSRFTDK-ROUUACIJSA-N 1 1 357.408 3.571 20 30 FHEDMO N#CCc1cccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000049602336 927419066 /nfs/dbraw/zinc/41/90/66/927419066.db2.gz AWCIHDCGHDPXIN-UHFFFAOYSA-N 1 1 369.468 3.864 20 30 FHEDMO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)s2)o1 ZINC000430174864 927537138 /nfs/dbraw/zinc/53/71/38/927537138.db2.gz ACTBUWCHYYWOHT-HNNXBMFYSA-N 1 1 366.446 3.632 20 30 FHEDMO Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)s2)o1 ZINC000430174864 927537146 /nfs/dbraw/zinc/53/71/46/927537146.db2.gz ACTBUWCHYYWOHT-HNNXBMFYSA-N 1 1 366.446 3.632 20 30 FHEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Cl)cc1C#N ZINC000186942594 927596184 /nfs/dbraw/zinc/59/61/84/927596184.db2.gz GGVQBOIPQNBXMS-UHFFFAOYSA-N 1 1 355.869 3.936 20 30 FHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Cl)cc1C#N ZINC000186942594 927596192 /nfs/dbraw/zinc/59/61/92/927596192.db2.gz GGVQBOIPQNBXMS-UHFFFAOYSA-N 1 1 355.869 3.936 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3OC(F)(F)F)C2)nc1 ZINC000430181360 927598671 /nfs/dbraw/zinc/59/86/71/927598671.db2.gz VMNHKLPJNMZQAI-OAHLLOKOSA-N 1 1 363.339 3.505 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3OC(F)(F)F)C2)nc1 ZINC000430181360 927598682 /nfs/dbraw/zinc/59/86/82/927598682.db2.gz VMNHKLPJNMZQAI-OAHLLOKOSA-N 1 1 363.339 3.505 20 30 FHEDMO CN(CC(C)(C)C#N)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000458413000 937201642 /nfs/dbraw/zinc/20/16/42/937201642.db2.gz BRJIFTFMLZJRAB-UHFFFAOYSA-N 1 1 368.481 3.603 20 30 FHEDMO CN(CC(C)(C)C#N)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000458413000 937201645 /nfs/dbraw/zinc/20/16/45/937201645.db2.gz BRJIFTFMLZJRAB-UHFFFAOYSA-N 1 1 368.481 3.603 20 30 FHEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178804947 937208249 /nfs/dbraw/zinc/20/82/49/937208249.db2.gz XFRSOVCGGZAENS-FUHWJXTLSA-N 1 1 369.513 3.595 20 30 FHEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001211500188 928037000 /nfs/dbraw/zinc/03/70/00/928037000.db2.gz YUTGWOCCBMHNNT-RHSMWYFYSA-N 1 1 359.470 3.554 20 30 FHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NCCc1cccs1)c1ccc(F)c(F)c1 ZINC000187775371 937213848 /nfs/dbraw/zinc/21/38/48/937213848.db2.gz PPYSQTMOJQYUQW-ACJLOTCBSA-N 1 1 364.461 3.981 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000187778775 937218770 /nfs/dbraw/zinc/21/87/70/937218770.db2.gz HYQKUTPJERYBAG-GOSISDBHSA-N 1 1 359.376 3.520 20 30 FHEDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](C)O2 ZINC000430283283 929236410 /nfs/dbraw/zinc/23/64/10/929236410.db2.gz YSGQSBIYBOVCMH-GJYPPUQNSA-N 1 1 367.411 3.715 20 30 FHEDMO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](C)O2 ZINC000430283283 929236418 /nfs/dbraw/zinc/23/64/18/929236418.db2.gz YSGQSBIYBOVCMH-GJYPPUQNSA-N 1 1 367.411 3.715 20 30 FHEDMO C=CCc1ccc(OC[C@H](O)C[NH2+]C2(C(F)F)CCCCC2)c(OC)c1 ZINC000510160230 929487456 /nfs/dbraw/zinc/48/74/56/929487456.db2.gz PMQWIINIHHLCTK-MRXNPFEDSA-N 1 1 369.452 3.721 20 30 FHEDMO N#Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1F ZINC000547763422 929561820 /nfs/dbraw/zinc/56/18/20/929561820.db2.gz DDIWPKZPJOEQIH-IHWFROFDSA-N 1 1 363.436 3.623 20 30 FHEDMO CCC#C[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001167313202 929705144 /nfs/dbraw/zinc/70/51/44/929705144.db2.gz FYGDMVRPWBUONC-ZDUSSCGKSA-N 1 1 355.360 3.538 20 30 FHEDMO COc1cccc(SCC[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC001167318897 929758140 /nfs/dbraw/zinc/75/81/40/929758140.db2.gz XPSXSZKTJNGFLN-UHFFFAOYSA-N 1 1 367.518 3.871 20 30 FHEDMO O[C@H]([C@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1)C(F)(F)F ZINC000580034361 930014935 /nfs/dbraw/zinc/01/49/35/930014935.db2.gz LFFMYUJRSAZVSE-GXFFZTMASA-N 1 1 359.285 3.980 20 30 FHEDMO O[C@H]([C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1)C(F)(F)F ZINC000580034361 930014946 /nfs/dbraw/zinc/01/49/46/930014946.db2.gz LFFMYUJRSAZVSE-GXFFZTMASA-N 1 1 359.285 3.980 20 30 FHEDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC000580035344 930044680 /nfs/dbraw/zinc/04/46/80/930044680.db2.gz YKZJWHXJDUOXNH-PGRDOPGGSA-N 1 1 369.892 3.734 20 30 FHEDMO C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000610348344 930059699 /nfs/dbraw/zinc/05/96/99/930059699.db2.gz HBIJMZPCOYBKKM-KSZLIROESA-N 1 1 356.514 3.677 20 30 FHEDMO C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cccc(C#N)c1 ZINC000610351039 930076092 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ZSFSROKWQVEHKR-IKKRTKPYSA-N 1 1 370.541 3.920 20 30 FHEDMO C[C@H]1C[C@H](N(C)c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000583675943 938353334 /nfs/dbraw/zinc/35/33/34/938353334.db2.gz NGPPHDPXRCEYFL-OXJNMPFZSA-N 1 1 364.449 3.956 20 30 FHEDMO C=CCC[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000278395317 938383416 /nfs/dbraw/zinc/38/34/16/938383416.db2.gz AYUGFOSPGDYOQE-NQIIRXRSSA-N 1 1 371.525 3.589 20 30 FHEDMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCc4cccnc43)CC2)oc1C ZINC000329395544 938385669 /nfs/dbraw/zinc/38/56/69/938385669.db2.gz UCUXWGCDQNEPRX-GOSISDBHSA-N 1 1 368.481 3.585 20 30 FHEDMO C=C(C)[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000458677455 938415862 /nfs/dbraw/zinc/41/58/62/938415862.db2.gz PSOSTJFOUZKQBJ-MAUKXSAKSA-N 1 1 351.441 3.706 20 30 FHEDMO C=C(C)COc1cccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000157793572 938432394 /nfs/dbraw/zinc/43/23/94/938432394.db2.gz IIBNKZYAKOVDOR-UHFFFAOYSA-N 1 1 368.481 3.862 20 30 FHEDMO COc1ccccc1[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329490472 938444651 /nfs/dbraw/zinc/44/46/51/938444651.db2.gz HWNYRCCDXDSAKT-IXDOHACOSA-N 1 1 359.514 3.913 20 30 FHEDMO CC(C)Oc1ccc(NC(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)cc1C#N ZINC000157929521 938455110 /nfs/dbraw/zinc/45/51/10/938455110.db2.gz JORRXDLBWNMIPC-INIZCTEOSA-N 1 1 370.497 3.826 20 30 FHEDMO N#CCCC1CC[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000583932624 938490384 /nfs/dbraw/zinc/49/03/84/938490384.db2.gz ZQZVLNVEHYXPFS-UHFFFAOYSA-N 1 1 350.344 3.670 20 30 FHEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000151272147 938517269 /nfs/dbraw/zinc/51/72/69/938517269.db2.gz AQQHYXIWJFNMNV-ICSRJNTNSA-N 1 1 356.514 3.699 20 30 FHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000329628948 938556222 /nfs/dbraw/zinc/55/62/22/938556222.db2.gz QCDDDAIUOGTNGQ-SJORKVTESA-N 1 1 352.438 3.545 20 30 FHEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CC(C)(C)C#N)c1 ZINC000278620312 938592534 /nfs/dbraw/zinc/59/25/34/938592534.db2.gz XBVVOKBRIKAGAO-CQSZACIVSA-N 1 1 374.460 3.517 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CC(C)(C)C#N)c1 ZINC000278620312 938592536 /nfs/dbraw/zinc/59/25/36/938592536.db2.gz XBVVOKBRIKAGAO-CQSZACIVSA-N 1 1 374.460 3.517 20 30 FHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CCCC1 ZINC000052908625 938655027 /nfs/dbraw/zinc/65/50/27/938655027.db2.gz HQMNDADTXWXPET-UHFFFAOYSA-N 1 1 368.481 3.821 20 30 FHEDMO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)on1 ZINC000329770667 938698491 /nfs/dbraw/zinc/69/84/91/938698491.db2.gz GFQXZIHUMFKAAJ-MRXNPFEDSA-N 1 1 368.481 3.697 20 30 FHEDMO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)on1 ZINC000329770667 938698492 /nfs/dbraw/zinc/69/84/92/938698492.db2.gz GFQXZIHUMFKAAJ-MRXNPFEDSA-N 1 1 368.481 3.697 20 30 FHEDMO C=CCSc1ccccc1NC(=O)CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984937 938712400 /nfs/dbraw/zinc/71/24/00/938712400.db2.gz JOSMXGASFSSXIS-HNNXBMFYSA-N 1 1 356.495 3.506 20 30 FHEDMO Cc1ncsc1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000329792412 938811429 /nfs/dbraw/zinc/81/14/29/938811429.db2.gz AALQSYIMERPZRB-BBRMVZONSA-N 1 1 364.540 3.600 20 30 FHEDMO C=CCc1cc(C[N@H+](CCOC)Cc2scnc2C)cc(OC)c1O ZINC000426564609 945206413 /nfs/dbraw/zinc/20/64/13/945206413.db2.gz GVCDCFYQUZZWNC-UHFFFAOYSA-N 1 1 362.495 3.543 20 30 FHEDMO C=CCc1cc(C[N@@H+](CCOC)Cc2scnc2C)cc(OC)c1O ZINC000426564609 945206417 /nfs/dbraw/zinc/20/64/17/945206417.db2.gz GVCDCFYQUZZWNC-UHFFFAOYSA-N 1 1 362.495 3.543 20 30 FHEDMO CC1(C)CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000519197653 945208998 /nfs/dbraw/zinc/20/89/98/945208998.db2.gz LWPVKFXQKFAZNV-UHFFFAOYSA-N 1 1 366.440 3.826 20 30 FHEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000472327416 938970912 /nfs/dbraw/zinc/97/09/12/938970912.db2.gz LRUITVSBZWJVIB-VMRPVKRXSA-N 1 1 354.425 3.520 20 30 FHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CC[C@H]2CCCO2)c1C#N ZINC000467154372 938993989 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Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@]3(C#N)CC34CCCC4)C2)s1 ZINC000516777188 945246413 /nfs/dbraw/zinc/24/64/13/945246413.db2.gz PCMWAURTQDHLHI-LAUBAEHRSA-N 1 1 371.550 3.811 20 30 FHEDMO C=CCn1c(CC)nnc1N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000518261641 945264332 /nfs/dbraw/zinc/26/43/32/945264332.db2.gz MWMLBMVKXOCCCG-MJGOQNOKSA-N 1 1 353.514 3.688 20 30 FHEDMO C=CCSCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511853039 945278546 /nfs/dbraw/zinc/27/85/46/945278546.db2.gz XHJVLHWRJWZRRL-GOSISDBHSA-N 1 1 361.555 3.506 20 30 FHEDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000179574820 939891286 /nfs/dbraw/zinc/89/12/86/939891286.db2.gz RNALNMYFOLTOCV-CQSZACIVSA-N 1 1 373.403 3.716 20 30 FHEDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000179574820 939891292 /nfs/dbraw/zinc/89/12/92/939891292.db2.gz RNALNMYFOLTOCV-CQSZACIVSA-N 1 1 373.403 3.716 20 30 FHEDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C\c2ccccc2C#N)[C@@H]1c1cccs1 ZINC000255841886 939911706 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C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824614222 946863866 /nfs/dbraw/zinc/86/38/66/946863866.db2.gz ZONIDICUSDIRSN-CQSZACIVSA-N 1 1 370.416 3.849 20 30 FHEDMO CC[N@@H+](CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(C)C ZINC000523139144 946892038 /nfs/dbraw/zinc/89/20/38/946892038.db2.gz CVCGEGBICXYUPH-UHFFFAOYSA-N 1 1 350.466 3.762 20 30 FHEDMO Cc1nc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)sc1C ZINC000328612854 946956665 /nfs/dbraw/zinc/95/66/65/946956665.db2.gz PVDBRMNRVYFPGM-INIZCTEOSA-N 1 1 350.532 3.561 20 30 FHEDMO O=C(CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccccc1F ZINC000328650359 946965442 /nfs/dbraw/zinc/96/54/42/946965442.db2.gz JEBGTQHLXJYDSB-OAHLLOKOSA-N 1 1 356.445 3.826 20 30 FHEDMO C=C(C)C[N@@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC001573293693 946965752 /nfs/dbraw/zinc/96/57/52/946965752.db2.gz GNYRODVZEOHTEV-UHFFFAOYSA-N 1 1 363.465 3.714 20 30 FHEDMO C=CCc1cc(C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc(OC)c1O ZINC000475372008 946975288 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Cn1cc(C[N@@H+](C)CCOc2ccccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000179891589 940084526 /nfs/dbraw/zinc/08/45/26/940084526.db2.gz ULYTUINFBSVNNE-UHFFFAOYSA-N 1 1 364.424 3.609 20 30 FHEDMO Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000612461658 940085077 /nfs/dbraw/zinc/08/50/77/940085077.db2.gz MGLCDKGIPCDSQV-CHWSQXEVSA-N 1 1 372.494 3.833 20 30 FHEDMO Cn1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179893934 940092579 /nfs/dbraw/zinc/09/25/79/940092579.db2.gz JQWZRXLJMHHFNC-UHFFFAOYSA-N 1 1 370.456 3.954 20 30 FHEDMO C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)c1ccc(C#N)cc1 ZINC000548936626 940113673 /nfs/dbraw/zinc/11/36/73/940113673.db2.gz ISZXETOMDQUXDG-LBPRGKRZSA-N 1 1 373.250 3.943 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000065959548 940122026 /nfs/dbraw/zinc/12/20/26/940122026.db2.gz XSYLPGJJGDORJE-UHFFFAOYSA-N 1 1 373.500 3.783 20 30 FHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000065959548 940122035 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FHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000570438713 940308676 /nfs/dbraw/zinc/30/86/76/940308676.db2.gz MNLDDFIXNDRAII-INIZCTEOSA-N 1 1 353.775 3.854 20 30 FHEDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000376129513 940345473 /nfs/dbraw/zinc/34/54/73/940345473.db2.gz LHFPVENMLMOENT-ROUUACIJSA-N 1 1 357.816 3.526 20 30 FHEDMO C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000376129513 940345478 /nfs/dbraw/zinc/34/54/78/940345478.db2.gz LHFPVENMLMOENT-ROUUACIJSA-N 1 1 357.816 3.526 20 30 FHEDMO Cc1ccc2c(C)cc(NC3CCN(c4ccc(C#N)cn4)CC3)[nH+]c2c1 ZINC000613113801 940456786 /nfs/dbraw/zinc/45/67/86/940456786.db2.gz BYJNFEJSWUQLIS-UHFFFAOYSA-N 1 1 357.461 3.621 20 30 FHEDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580293913 940472033 /nfs/dbraw/zinc/47/20/33/940472033.db2.gz JXHJPYKYMKLVNK-OCYFJXFZSA-N 1 1 373.500 3.689 20 30 FHEDMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000581944157 940633558 /nfs/dbraw/zinc/63/35/58/940633558.db2.gz UEKLSNPVHDTDOA-INIZCTEOSA-N 1 1 359.355 3.693 20 30 FHEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000173542763 940639107 /nfs/dbraw/zinc/63/91/07/940639107.db2.gz XSTWYZGDDAJINU-UHFFFAOYSA-N 1 1 358.511 3.699 20 30 FHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000174033523 940693630 /nfs/dbraw/zinc/69/36/30/940693630.db2.gz UZYUKPRUVVQICO-GOSISDBHSA-N 1 1 365.477 3.505 20 30 FHEDMO CN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C#N)[C@H]1c1ccccc1 ZINC000582575249 940737856 /nfs/dbraw/zinc/73/78/56/940737856.db2.gz QFVQAEHSKIVYLG-RTBURBONSA-N 1 1 370.294 3.856 20 30 FHEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000187793699 940786554 /nfs/dbraw/zinc/78/65/54/940786554.db2.gz QMTWBMPYVZBACF-IBGZPJMESA-N 1 1 366.358 3.766 20 30 FHEDMO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000014713210 940836217 /nfs/dbraw/zinc/83/62/17/940836217.db2.gz SSUVIEPZHDSZRT-UHFFFAOYSA-N 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N#Cc1ccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c(Br)c1 ZINC000181137406 941110488 /nfs/dbraw/zinc/11/04/88/941110488.db2.gz SGCIESMYUJYBLB-LJQANCHMSA-N 1 1 371.278 3.803 20 30 FHEDMO N#Cc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c(Br)c1 ZINC000181137406 941110489 /nfs/dbraw/zinc/11/04/89/941110489.db2.gz SGCIESMYUJYBLB-LJQANCHMSA-N 1 1 371.278 3.803 20 30 FHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc2c(c1)OCO2 ZINC000181224829 941113091 /nfs/dbraw/zinc/11/30/91/941113091.db2.gz FKIAKFWGCYRTCF-LLVKDONJSA-N 1 1 359.223 3.900 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(F)cc2C#N)cc1F ZINC000177920437 941153126 /nfs/dbraw/zinc/15/31/26/941153126.db2.gz FMXMCKQPDMSHDJ-UHFFFAOYSA-N 1 1 367.359 3.652 20 30 FHEDMO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178781365 941303477 /nfs/dbraw/zinc/30/34/77/941303477.db2.gz UYILNAOYSRBFMK-BFUOFWGJSA-N 1 1 368.431 3.838 20 30 FHEDMO CC(C)(O)C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000189942922 941307834 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C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000549136829 941509465 /nfs/dbraw/zinc/50/94/65/941509465.db2.gz DWXTWQZWSQNSLA-CQSZACIVSA-N 1 1 360.383 3.855 20 30 FHEDMO N#Cc1ccc(OCCCN2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000728686447 941529713 /nfs/dbraw/zinc/52/97/13/941529713.db2.gz RVWXXAHRBVWJHJ-OAQYLSRUSA-N 1 1 355.526 3.915 20 30 FHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000472753110 941676477 /nfs/dbraw/zinc/67/64/77/941676477.db2.gz PRBXLMIMYVOSSD-HZPDHXFCSA-N 1 1 357.281 3.723 20 30 FHEDMO N#CCOc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000729267538 941705219 /nfs/dbraw/zinc/70/52/19/941705219.db2.gz WQONTKLRFCFVIV-UHFFFAOYSA-N 1 1 355.869 3.560 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 ZINC000047544358 941756045 /nfs/dbraw/zinc/75/60/45/941756045.db2.gz RKMOCXMXLKVWOY-QGZVFWFLSA-N 1 1 363.461 3.950 20 30 FHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000330124235 941792462 /nfs/dbraw/zinc/79/24/62/941792462.db2.gz CIFGVRFBSPFLQD-DFQSSKMNSA-N 1 1 373.541 3.778 20 30 FHEDMO C=C(C)Cn1c(C)nnc1N1CC[N@@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000549273142 941812324 /nfs/dbraw/zinc/81/23/24/941812324.db2.gz USTWOKNUAIFIMF-FQEVSTJZSA-N 1 1 353.514 3.654 20 30 FHEDMO CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000330132149 941814825 /nfs/dbraw/zinc/81/48/25/941814825.db2.gz QDIPBQAWENJZJZ-GMBSWORKSA-N 1 1 359.518 3.657 20 30 FHEDMO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3OC)C2)cc1C#N ZINC000513377950 941875951 /nfs/dbraw/zinc/87/59/51/941875951.db2.gz XQTLYDAPPBCTME-GOSISDBHSA-N 1 1 352.434 3.619 20 30 FHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c1 ZINC000377693894 941906887 /nfs/dbraw/zinc/90/68/87/941906887.db2.gz DERDRYWOHXCAIL-GGAORHGYSA-N 1 1 364.489 3.967 20 30 FHEDMO C=CCCC[C@H](C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460660941 941941407 /nfs/dbraw/zinc/94/14/07/941941407.db2.gz ILPDNNVHVMEDRN-TYPHKJRUSA-N 1 1 355.526 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C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420944002 942268458 /nfs/dbraw/zinc/26/84/58/942268458.db2.gz IWXDGLVLTGEQJD-HOTGVXAUSA-N 1 1 367.415 3.986 20 30 FHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000501047808 942274325 /nfs/dbraw/zinc/27/43/25/942274325.db2.gz TWJGZUWBULACCN-FQEVSTJZSA-N 1 1 356.514 3.744 20 30 FHEDMO COc1cccc(C[N@@H+](Cc2cc(C#N)cs2)C2CCC(O)CC2)c1 ZINC000092966852 942279038 /nfs/dbraw/zinc/27/90/38/942279038.db2.gz UQHYBXXOEYRYCF-UHFFFAOYSA-N 1 1 356.491 3.934 20 30 FHEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421044289 942314697 /nfs/dbraw/zinc/31/46/97/942314697.db2.gz SLHSEGVSEOEOSA-KRWDZBQOSA-N 1 1 351.288 3.776 20 30 FHEDMO C[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000502302565 942343100 /nfs/dbraw/zinc/34/31/00/942343100.db2.gz IWNHBDGZXMJDHC-QZTJIDSGSA-N 1 1 366.509 3.620 20 30 FHEDMO Oc1ccc2ccccc2c1/C=N/Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000180422436 942365645 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942525573 /nfs/dbraw/zinc/52/55/73/942525573.db2.gz JINCIPDZLHJDED-QGZVFWFLSA-N 1 1 351.494 3.827 20 30 FHEDMO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548343 942525579 /nfs/dbraw/zinc/52/55/79/942525579.db2.gz JINCIPDZLHJDED-QGZVFWFLSA-N 1 1 351.494 3.827 20 30 FHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501555677 942547658 /nfs/dbraw/zinc/54/76/58/942547658.db2.gz VXODHCRVOQJCPR-MRXNPFEDSA-N 1 1 373.250 3.943 20 30 FHEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458809002 942588947 /nfs/dbraw/zinc/58/89/47/942588947.db2.gz ZRDDRZLGIQWEIQ-VAMGGRTRSA-N 1 1 354.498 3.547 20 30 FHEDMO C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)N[C@H](C)Cc1ccc(C)s1 ZINC000261845729 942676509 /nfs/dbraw/zinc/67/65/09/942676509.db2.gz XGAVGECRKDIMPQ-CYBMUJFWSA-N 1 1 355.511 3.537 20 30 FHEDMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)ccc1C#N ZINC000367027451 942689231 /nfs/dbraw/zinc/68/92/31/942689231.db2.gz BPAVGIQSNPKXLC-BCDXTJNWSA-N 1 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C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272419508 943153125 /nfs/dbraw/zinc/15/31/25/943153125.db2.gz LTVPFBZHQNRKBG-VYDXJSESSA-N 1 1 358.511 3.639 20 30 FHEDMO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC3(C2)CCCCCC3)c1 ZINC000513786953 943162886 /nfs/dbraw/zinc/16/28/86/943162886.db2.gz QDYVPVGWGPFEBH-UHFFFAOYSA-N 1 1 360.523 3.768 20 30 FHEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC3(C2)CCCCCC3)c1 ZINC000513786953 943162890 /nfs/dbraw/zinc/16/28/90/943162890.db2.gz QDYVPVGWGPFEBH-UHFFFAOYSA-N 1 1 360.523 3.768 20 30 FHEDMO CC1(C#N)CCN(Cc2cccc(C[NH+]3CCC(C)(C#N)CC3)c2)CC1 ZINC000272593950 943183297 /nfs/dbraw/zinc/18/32/97/943183297.db2.gz PVGHBYARPRLWAO-UHFFFAOYSA-N 1 1 350.510 3.938 20 30 FHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435132549 943185807 /nfs/dbraw/zinc/18/58/07/943185807.db2.gz KBYULEJUEACJJV-RTBURBONSA-N 1 1 369.538 3.965 20 30 FHEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000435134551 943187341 /nfs/dbraw/zinc/18/73/41/943187341.db2.gz XUMXRPXLUSLZCU-YADHBBJMSA-N 1 1 374.488 3.572 20 30 FHEDMO CCC[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000513788861 943196278 /nfs/dbraw/zinc/19/62/78/943196278.db2.gz YUTGRRNFXROMQM-UHFFFAOYSA-N 1 1 356.491 3.634 20 30 FHEDMO CCC[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000513788861 943196280 /nfs/dbraw/zinc/19/62/80/943196280.db2.gz YUTGRRNFXROMQM-UHFFFAOYSA-N 1 1 356.491 3.634 20 30 FHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272710876 943206606 /nfs/dbraw/zinc/20/66/06/943206606.db2.gz KNISULMMKATADG-GJZGRUSLSA-N 1 1 358.511 3.710 20 30 FHEDMO C=C(C)Cn1c(CC)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000514786650 943289626 /nfs/dbraw/zinc/28/96/26/943289626.db2.gz SXRXBUPDAJOFGW-SFHVURJKSA-N 1 1 353.514 3.517 20 30 FHEDMO C=CCOc1c(Cl)cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000628295700 943290212 /nfs/dbraw/zinc/29/02/12/943290212.db2.gz HQVYYMXTUZYCCX-HXUWFJFHSA-N 1 1 364.917 3.831 20 30 FHEDMO C=CCOc1ccccc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422914006 943329132 /nfs/dbraw/zinc/32/91/32/943329132.db2.gz ZPUNNTBXXCIJME-DENIHFKCSA-N 1 1 350.462 3.597 20 30 FHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000435449148 943410144 /nfs/dbraw/zinc/41/01/44/943410144.db2.gz OKEXVADKTUOJDD-FQEVSTJZSA-N 1 1 363.461 3.603 20 30 FHEDMO C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCc1c[nH]c2ccccc12 ZINC001269959662 943419861 /nfs/dbraw/zinc/41/98/61/943419861.db2.gz IDBYBLPBJGUSJS-NDXORKPFSA-N 1 1 351.494 3.598 20 30 FHEDMO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1 ZINC000504538778 943661968 /nfs/dbraw/zinc/66/19/68/943661968.db2.gz NIUFJUYMTCBVRR-YOEHRIQHSA-N 1 1 367.449 3.593 20 30 FHEDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1 ZINC000504538778 943661972 /nfs/dbraw/zinc/66/19/72/943661972.db2.gz NIUFJUYMTCBVRR-YOEHRIQHSA-N 1 1 367.449 3.593 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000431954202 943699888 /nfs/dbraw/zinc/69/98/88/943699888.db2.gz XDLAOSZWOOCOSW-UHFFFAOYSA-N 1 1 362.477 3.995 20 30 FHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@H]2C[C@H](c3cccc(OC)c3)C2)c1C#N ZINC000515293080 943777544 /nfs/dbraw/zinc/77/75/44/943777544.db2.gz DSXUVINLXWZEBZ-IYARVYRRSA-N 1 1 364.445 3.731 20 30 FHEDMO COc1cccc([C@@H]2[C@@H](NCc3ccc(F)cc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000549476703 943813097 /nfs/dbraw/zinc/81/30/97/943813097.db2.gz GYKTWGISLBSKJZ-FCHUYYIVSA-N 1 1 365.452 3.774 20 30 FHEDMO COc1cccc([C@@H]2[C@@H](NCc3ccc(F)cc3C#N)CC[N@H+]2C2CC2)c1 ZINC000549476703 943813099 /nfs/dbraw/zinc/81/30/99/943813099.db2.gz GYKTWGISLBSKJZ-FCHUYYIVSA-N 1 1 365.452 3.774 20 30 FHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)nn1 ZINC000424296618 943825310 /nfs/dbraw/zinc/82/53/10/943825310.db2.gz PAFJWUDMIMTKIR-LBPRGKRZSA-N 1 1 357.458 3.886 20 30 FHEDMO CC[N@@H+](CCCOc1cccc(I)c1)C[C@@H](C)C#N ZINC000506056919 943840473 /nfs/dbraw/zinc/84/04/73/943840473.db2.gz PXNXXACSZABGMM-ZDUSSCGKSA-N 1 1 372.250 3.542 20 30 FHEDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000424335028 943850605 /nfs/dbraw/zinc/85/06/05/943850605.db2.gz WHBMPYZKMRAQPM-WBMJQRKESA-N 1 1 355.463 3.920 20 30 FHEDMO C=CCOc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000505751406 943979124 /nfs/dbraw/zinc/97/91/24/943979124.db2.gz RVLVHRDRIWRZSW-UHFFFAOYSA-N 1 1 369.461 3.836 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000505751406 943979126 /nfs/dbraw/zinc/97/91/26/943979126.db2.gz RVLVHRDRIWRZSW-UHFFFAOYSA-N 1 1 369.461 3.836 20 30 FHEDMO C[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)Cc1ccc(C#N)cc1 ZINC000515547176 943980715 /nfs/dbraw/zinc/98/07/15/943980715.db2.gz UARWIQZBXLCVRZ-UHFFFAOYSA-N 1 1 361.489 3.618 20 30 FHEDMO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)Cc1ccc(C#N)cc1 ZINC000515547176 943980716 /nfs/dbraw/zinc/98/07/16/943980716.db2.gz UARWIQZBXLCVRZ-UHFFFAOYSA-N 1 1 361.489 3.618 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000437636997 944002531 /nfs/dbraw/zinc/00/25/31/944002531.db2.gz BUAZPQKIAAEZJK-URXFXBBRSA-N 1 1 374.484 3.929 20 30 FHEDMO C[C@H]1C[C@@H](C(=O)NCc2cccc(COC3CCOCC3)c2)CC[N@H+]1C ZINC000329543502 944026351 /nfs/dbraw/zinc/02/63/51/944026351.db2.gz YIIHNUBGCHYPGO-LPHOPBHVSA-N 1 1 360.498 3.569 20 30 FHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425468451 944035752 /nfs/dbraw/zinc/03/57/52/944035752.db2.gz DRJNQIXQFVSIPX-MHORFTMASA-N 1 1 356.514 3.627 20 30 FHEDMO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1Cl)C1CCCC1)C1CC1 ZINC000517134404 944036028 /nfs/dbraw/zinc/03/60/28/944036028.db2.gz XOWCVDLLYZVAOJ-HXUWFJFHSA-N 1 1 359.901 3.893 20 30 FHEDMO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1Cl)C1CCCC1)C1CC1 ZINC000517134404 944036030 /nfs/dbraw/zinc/03/60/30/944036030.db2.gz XOWCVDLLYZVAOJ-HXUWFJFHSA-N 1 1 359.901 3.893 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1C ZINC000437826841 944151647 /nfs/dbraw/zinc/15/16/47/944151647.db2.gz YIAOOVHLNLMWEY-OAQYLSRUSA-N 1 1 361.489 3.867 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]2Cc2ccccc2)c1C ZINC000437826841 944151654 /nfs/dbraw/zinc/15/16/54/944151654.db2.gz YIAOOVHLNLMWEY-OAQYLSRUSA-N 1 1 361.489 3.867 20 30 FHEDMO C[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1C(=O)OC(C)(C)C ZINC000425515397 944197806 /nfs/dbraw/zinc/19/78/06/944197806.db2.gz SNBQXQZWJSBJEC-SJORKVTESA-N 1 1 350.503 3.529 20 30 FHEDMO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425530700 944249816 /nfs/dbraw/zinc/24/98/16/944249816.db2.gz GAJZKJAMOFNSKO-HUUCEWRRSA-N 1 1 371.431 3.577 20 30 FHEDMO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425530700 944249827 /nfs/dbraw/zinc/24/98/27/944249827.db2.gz GAJZKJAMOFNSKO-HUUCEWRRSA-N 1 1 371.431 3.577 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000425531212 944256022 /nfs/dbraw/zinc/25/60/22/944256022.db2.gz GYKZHQPJXYMCPD-OAHLLOKOSA-N 1 1 355.869 3.911 20 30 FHEDMO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1Cl 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QCGJCWUINSXONW-GOEBONIOSA-N 1 1 358.486 3.538 20 30 FHEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000444599361 947046854 /nfs/dbraw/zinc/04/68/54/947046854.db2.gz SVXVYHPPJVJKCA-UHFFFAOYSA-N 1 1 366.509 3.575 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000432275559 947051452 /nfs/dbraw/zinc/05/14/52/947051452.db2.gz SMASBBJZWJQDRD-GOSISDBHSA-N 1 1 356.857 3.945 20 30 FHEDMO N#CC(CC[N@@H+]1CCCC[C@H]1CC(N)=O)(c1ccccc1)c1ccccc1 ZINC000444619676 947051655 /nfs/dbraw/zinc/05/16/55/947051655.db2.gz KSEMJBIIFYUBOC-NRFANRHFSA-N 1 1 361.489 3.616 20 30 FHEDMO COc1cc(OC)cc(N2CCC[N@@H+](CCCCC(C)(C)C#N)CC2)c1 ZINC000444647293 947067784 /nfs/dbraw/zinc/06/77/84/947067784.db2.gz KYIWZUXRIVAYST-UHFFFAOYSA-N 1 1 359.514 3.936 20 30 FHEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000328890712 947084299 /nfs/dbraw/zinc/08/42/99/947084299.db2.gz RYDBRQUQUKRTOA-LSDHHAIUSA-N 1 1 351.516 3.525 20 30 FHEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328947023 947097622 /nfs/dbraw/zinc/09/76/22/947097622.db2.gz VRKPICOZZDMSIS-UXHICEINSA-N 1 1 370.472 3.754 20 30 FHEDMO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1(c2ccccc2)CC1 ZINC000444684946 947108511 /nfs/dbraw/zinc/10/85/11/947108511.db2.gz MOZTUGVSIIXNTG-UHFFFAOYSA-N 1 1 353.853 3.814 20 30 FHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1(c2ccccc2)CC1 ZINC000444684946 947108516 /nfs/dbraw/zinc/10/85/16/947108516.db2.gz MOZTUGVSIIXNTG-UHFFFAOYSA-N 1 1 353.853 3.814 20 30 FHEDMO Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)n2c3ccccc3nc2c1C#N ZINC000523320835 947112194 /nfs/dbraw/zinc/11/21/94/947112194.db2.gz JHPFSKXCJZUUKT-UHFFFAOYSA-N 1 1 356.433 3.775 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c(F)cc(C#N)cc1F ZINC000500438256 947118975 /nfs/dbraw/zinc/11/89/75/947118975.db2.gz FJCFUYOUIWKARH-LSDHHAIUSA-N 1 1 369.415 3.571 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c(F)cc(C#N)cc1F ZINC000500438256 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CCCCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000440581747 947287559 /nfs/dbraw/zinc/28/75/59/947287559.db2.gz WZUCSLIQGYEHOR-SJORKVTESA-N 1 1 361.486 3.622 20 30 FHEDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000440581747 947287565 /nfs/dbraw/zinc/28/75/65/947287565.db2.gz WZUCSLIQGYEHOR-SJORKVTESA-N 1 1 361.486 3.622 20 30 FHEDMO C=CCn1c(C2CCC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508510881 947313947 /nfs/dbraw/zinc/31/39/47/947313947.db2.gz SFMOKTKGRLNWGI-OAHLLOKOSA-N 1 1 357.527 3.676 20 30 FHEDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330932179 947322799 /nfs/dbraw/zinc/32/27/99/947322799.db2.gz XEVBDOOMDJKZLE-DGCLKSJQSA-N 1 1 360.424 3.690 20 30 FHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)CCOCC1 ZINC000599331729 947325429 /nfs/dbraw/zinc/32/54/29/947325429.db2.gz LGUDZSKLTMKDEN-APWZRJJASA-N 1 1 364.436 3.563 20 30 FHEDMO COc1cc(Cl)c(Cl)cc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000331101298 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351.874 3.675 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)cc1Cl ZINC000475619960 947426454 /nfs/dbraw/zinc/42/64/54/947426454.db2.gz RJDGJVRZOVLJET-VQIMIIECSA-N 1 1 351.874 3.675 20 30 FHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccc1N1CCOCC1 ZINC000093872430 947432880 /nfs/dbraw/zinc/43/28/80/947432880.db2.gz NFMWLWSEFVGRIJ-FYYLOGMGSA-N 1 1 361.489 3.795 20 30 FHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(F)cc(Cl)c1 ZINC001573341806 947535109 /nfs/dbraw/zinc/53/51/09/947535109.db2.gz QMSFSYZNAMZFHP-UHFFFAOYSA-N 1 1 357.820 3.847 20 30 FHEDMO CCC(CC)[C@@H](CNc1nc(C(F)(F)F)ccc1C#N)[NH+]1CCOCC1 ZINC000523754906 947572503 /nfs/dbraw/zinc/57/25/03/947572503.db2.gz CDCMMQJBXMQZTD-OAHLLOKOSA-N 1 1 370.419 3.521 20 30 FHEDMO C=C(C)C[NH+]1CCC(NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000189279178 947669289 /nfs/dbraw/zinc/66/92/89/947669289.db2.gz SYBQASXZCYTWAU-UHFFFAOYSA-N 1 1 364.902 3.562 20 30 FHEDMO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1)CC(C)C ZINC000459005840 947796511 /nfs/dbraw/zinc/79/65/11/947796511.db2.gz IHZNMEXQSXKMCR-PMACEKPBSA-N 1 1 362.562 3.858 20 30 FHEDMO Cc1nccc([C@H]2CCC[N@H+](Cc3cc(C#N)ccc3Br)C2)n1 ZINC000617196153 948505384 /nfs/dbraw/zinc/50/53/84/948505384.db2.gz XGRCJWNCTRICQZ-HNNXBMFYSA-N 1 1 371.282 3.799 20 30 FHEDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3Br)C2)n1 ZINC000617196153 948505390 /nfs/dbraw/zinc/50/53/90/948505390.db2.gz XGRCJWNCTRICQZ-HNNXBMFYSA-N 1 1 371.282 3.799 20 30 FHEDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1nc(C(C)(C)C)cs1 ZINC000184471618 948585335 /nfs/dbraw/zinc/58/53/35/948585335.db2.gz MXOSIMQDZLZOJL-UONOGXRCSA-N 1 1 362.543 3.822 20 30 FHEDMO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000279211425 948622656 /nfs/dbraw/zinc/62/26/56/948622656.db2.gz BUHXUGUQTLHVBW-DNVCBOLYSA-N 1 1 361.511 3.520 20 30 FHEDMO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000279211425 948622659 /nfs/dbraw/zinc/62/26/59/948622659.db2.gz BUHXUGUQTLHVBW-DNVCBOLYSA-N 1 1 361.511 3.520 20 30 FHEDMO C=CCCO[C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000520705573 948627597 /nfs/dbraw/zinc/62/75/97/948627597.db2.gz QTIGPBGNNXWEMY-QAPCUYQASA-N 1 1 350.890 3.574 20 30 FHEDMO C=CCc1cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000107603339 948654444 /nfs/dbraw/zinc/65/44/44/948654444.db2.gz PZCHCQVIZBREPE-QGZVFWFLSA-N 1 1 374.525 3.817 20 30 FHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCC1CC1 ZINC000508528088 948739770 /nfs/dbraw/zinc/73/97/70/948739770.db2.gz KHGUNDIWJSIFGB-UHFFFAOYSA-N 1 1 350.462 3.996 20 30 FHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCC1CC1 ZINC000508528088 948739779 /nfs/dbraw/zinc/73/97/79/948739779.db2.gz KHGUNDIWJSIFGB-UHFFFAOYSA-N 1 1 350.462 3.996 20 30 FHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)o1 ZINC000474010682 948763680 /nfs/dbraw/zinc/76/36/80/948763680.db2.gz KVBJPLTUTORQIZ-OAHLLOKOSA-N 1 1 364.232 3.743 20 30 FHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000109221234 210142327 /nfs/dbraw/zinc/14/23/27/210142327.db2.gz RDLIQEVSTFATCD-MRXNPFEDSA-N 1 1 357.454 3.590 20 30 FHEDMO N#Cc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000041400495 211774440 /nfs/dbraw/zinc/77/44/40/211774440.db2.gz UFKXUDRRFBAQOT-LJQANCHMSA-N 1 1 353.853 3.779 20 30 FHEDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000096966984 222146945 /nfs/dbraw/zinc/14/69/45/222146945.db2.gz XIWCMNWIOYMSGE-CABCVRRESA-N 1 1 357.404 3.951 20 30 FHEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000481363702 567822576 /nfs/dbraw/zinc/82/25/76/567822576.db2.gz YPDDNGLZZRTHMA-LJQANCHMSA-N 1 1 365.452 3.583 20 30 FHEDMO CN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@H]1CCC[C@H]1C#N ZINC000601819573 567847755 /nfs/dbraw/zinc/84/77/55/567847755.db2.gz LMFIKUJPOINLSN-AOIWGVFYSA-N 1 1 354.498 3.644 20 30 FHEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000602098488 567926429 /nfs/dbraw/zinc/92/64/29/567926429.db2.gz WORLIOZDMIHWER-CYBMUJFWSA-N 1 1 351.237 3.694 20 30 FHEDMO C[C@H](c1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1)[NH+]1CCOCC1 ZINC000602497198 567983509 /nfs/dbraw/zinc/98/35/09/567983509.db2.gz ZTCIYZSDRHTKAH-ZWKOTPCHSA-N 1 1 357.498 3.591 20 30 FHEDMO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000602622804 567998701 /nfs/dbraw/zinc/99/87/01/567998701.db2.gz GXPQUOPQQURPQM-KGLIPLIRSA-N 1 1 358.417 3.625 20 30 FHEDMO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H](C)N1CC#N ZINC000602853403 568001802 /nfs/dbraw/zinc/00/18/02/568001802.db2.gz IHTITUNGAJQSQU-OYRHEFFESA-N 1 1 372.516 3.805 20 30 FHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000602917342 568012472 /nfs/dbraw/zinc/01/24/72/568012472.db2.gz DPQFPBLKSOBFHJ-SFTDATJTSA-N 1 1 352.478 3.523 20 30 FHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000602917333 568012510 /nfs/dbraw/zinc/01/25/10/568012510.db2.gz DPQFPBLKSOBFHJ-LEWJYISDSA-N 1 1 352.478 3.523 20 30 FHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000065959656 568063878 /nfs/dbraw/zinc/06/38/78/568063878.db2.gz SGSSDMMKGWKJSH-UHFFFAOYSA-N 1 1 365.477 3.682 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000065959656 568063879 /nfs/dbraw/zinc/06/38/79/568063879.db2.gz SGSSDMMKGWKJSH-UHFFFAOYSA-N 1 1 365.477 3.682 20 30 FHEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3Cc4ccccc4C4(CC4)C3)C2=O)cc1 ZINC000481762658 568114415 /nfs/dbraw/zinc/11/44/15/568114415.db2.gz MNQXYECVSYFPDL-OAQYLSRUSA-N 1 1 357.457 3.601 20 30 FHEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3Cc4ccccc4C4(CC4)C3)C2=O)cc1 ZINC000481762658 568114416 /nfs/dbraw/zinc/11/44/16/568114416.db2.gz MNQXYECVSYFPDL-OAQYLSRUSA-N 1 1 357.457 3.601 20 30 FHEDMO CC(C)OCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000568688687 568123193 /nfs/dbraw/zinc/12/31/93/568123193.db2.gz VQVMEUDZJMRRLP-UHFFFAOYSA-N 1 1 363.527 3.574 20 30 FHEDMO N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000481897735 568153965 /nfs/dbraw/zinc/15/39/65/568153965.db2.gz UMZVAKVCGVUEGA-HKUYNNGSSA-N 1 1 365.502 3.746 20 30 FHEDMO N#Cc1cccc(OCC[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000603839692 568161277 /nfs/dbraw/zinc/16/12/77/568161277.db2.gz ZTPJYDXHTUEJNU-UHFFFAOYSA-N 1 1 373.859 3.547 20 30 FHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1F ZINC000024897472 568230136 /nfs/dbraw/zinc/23/01/36/568230136.db2.gz GSBSTJQNHODXGT-UHFFFAOYSA-N 1 1 357.454 3.708 20 30 FHEDMO Cc1cccc(Cn2c3c(cc(C#N)c2=O)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000569002143 568262969 /nfs/dbraw/zinc/26/29/69/568262969.db2.gz YWYXVUIXMGCMIV-UHFFFAOYSA-N 1 1 369.468 3.635 20 30 FHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000609487394 568346744 /nfs/dbraw/zinc/34/67/44/568346744.db2.gz SGPNHKHLEXUBRJ-HNNXBMFYSA-N 1 1 358.404 3.707 20 30 FHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000609487394 568346745 /nfs/dbraw/zinc/34/67/45/568346745.db2.gz SGPNHKHLEXUBRJ-HNNXBMFYSA-N 1 1 358.404 3.707 20 30 FHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000569609446 568409765 /nfs/dbraw/zinc/40/97/65/568409765.db2.gz ZRYXXFAWTQIODA-LJQANCHMSA-N 1 1 351.406 3.648 20 30 FHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000569609446 568409766 /nfs/dbraw/zinc/40/97/66/568409766.db2.gz ZRYXXFAWTQIODA-LJQANCHMSA-N 1 1 351.406 3.648 20 30 FHEDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000570461261 568478299 /nfs/dbraw/zinc/47/82/99/568478299.db2.gz ROABGICVCREJLL-LJQANCHMSA-N 1 1 350.422 3.558 20 30 FHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccnc2ccccc12 ZINC000823914804 608631889 /nfs/dbraw/zinc/63/18/89/608631889.db2.gz NUFIWIPFWZQCKH-UHFFFAOYSA-N 1 1 356.433 3.603 20 30 FHEDMO N#Cc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1Cl ZINC001164624364 719059167 /nfs/dbraw/zinc/05/91/67/719059167.db2.gz LJYHVLBHCAMJBC-VQIMIIECSA-N 1 1 352.869 3.707 20 30 FHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(C#N)c3ccccc3n1)CC2 ZINC001164650488 719315108 /nfs/dbraw/zinc/31/51/08/719315108.db2.gz DZZMXABGTJOQIZ-UHFFFAOYSA-N 1 1 374.492 3.508 20 30 FHEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C#N)cc(C)n2)CC3)cs1 ZINC001164692051 719815011 /nfs/dbraw/zinc/81/50/11/719815011.db2.gz KZCJBSYGAWEVMS-UHFFFAOYSA-N 1 1 367.522 3.662 20 30 FHEDMO N#Cc1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164994511 722192963 /nfs/dbraw/zinc/19/29/63/722192963.db2.gz NLNCKRMDLRMPGB-FQEVSTJZSA-N 1 1 370.859 3.991 20 30 FHEDMO N#Cc1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164994511 722192964 /nfs/dbraw/zinc/19/29/64/722192964.db2.gz NLNCKRMDLRMPGB-FQEVSTJZSA-N 1 1 370.859 3.991 20 30 FHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC001167642265 936324597 /nfs/dbraw/zinc/32/45/97/936324597.db2.gz VVHWGYGCZZTZFL-INIZCTEOSA-N 1 1 367.880 3.854 20 30 FHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)Cc3cccc(OCC#N)c3)c2C1 ZINC000162147232 936349368 /nfs/dbraw/zinc/34/93/68/936349368.db2.gz APIIPEGYXBXKST-UHFFFAOYSA-N 1 1 363.461 3.742 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000162188504 936353854 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C=CCC1(NC(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CCCCC1 ZINC000458398524 937161761 /nfs/dbraw/zinc/16/17/61/937161761.db2.gz FIOFYOVJMDEHQF-RTBURBONSA-N 1 1 365.562 3.702 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)nc1 ZINC000430175583 927532402 /nfs/dbraw/zinc/53/24/02/927532402.db2.gz CUKYXMRRMZIXNU-OAQYLSRUSA-N 1 1 363.461 3.928 20 30 FHEDMO C[C@H]1C[C@@H](CCNC(=O)c2sccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000510069374 927633437 /nfs/dbraw/zinc/63/34/37/927633437.db2.gz FVHUESVADPSDKI-DOTOQJQBSA-N 1 1 353.491 3.650 20 30 FHEDMO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430185258 927651289 /nfs/dbraw/zinc/65/12/89/927651289.db2.gz GWBYJPNGKXFJLJ-KRWDZBQOSA-N 1 1 361.367 3.934 20 30 FHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccc(F)c(F)c1 ZINC000187775593 937213863 /nfs/dbraw/zinc/21/38/63/937213863.db2.gz HSPKCRAZPSNMML-SJCJKPOMSA-N 1 1 350.434 3.938 20 30 FHEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1ccccc1COC)c1ccc(F)c(F)c1 ZINC000187777868 937218366 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FHEDMO CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544850002 928893955 /nfs/dbraw/zinc/89/39/55/928893955.db2.gz MGCCJYNNUNNHGO-IBGZPJMESA-N 1 1 367.880 3.948 20 30 FHEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001167086397 928925552 /nfs/dbraw/zinc/92/55/52/928925552.db2.gz ZLJJVKHZAYSJKQ-APWZRJJASA-N 1 1 356.853 3.788 20 30 FHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000510132399 928939506 /nfs/dbraw/zinc/93/95/06/928939506.db2.gz KZLPHISEXHQKFF-HSZRJFAPSA-N 1 1 361.489 3.618 20 30 FHEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000179762064 929004850 /nfs/dbraw/zinc/00/48/50/929004850.db2.gz DIDNPKGHKUOBLB-UHFFFAOYSA-N 1 1 352.478 3.720 20 30 FHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430283284 929236246 /nfs/dbraw/zinc/23/62/46/929236246.db2.gz YSGQSBIYBOVCMH-GPMSIDNRSA-N 1 1 367.411 3.715 20 30 FHEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430283284 929236260 /nfs/dbraw/zinc/23/62/60/929236260.db2.gz YSGQSBIYBOVCMH-GPMSIDNRSA-N 1 1 367.411 3.715 20 30 FHEDMO Cc1[nH+]ccn1CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000052255401 937331443 /nfs/dbraw/zinc/33/14/43/937331443.db2.gz LJWZRCMIAUOZBF-UHFFFAOYSA-N 1 1 361.405 3.677 20 30 FHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000246308810 929601286 /nfs/dbraw/zinc/60/12/86/929601286.db2.gz CICAMYLPDUTDQH-JKSUJKDBSA-N 1 1 358.461 3.816 20 30 FHEDMO Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000175789676 929818372 /nfs/dbraw/zinc/81/83/72/929818372.db2.gz AAMJCBUFHKIGMI-FQEVSTJZSA-N 1 1 362.477 3.995 20 30 FHEDMO C[C@@H]1CCC[C@H](CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000134083316 929905697 /nfs/dbraw/zinc/90/56/97/929905697.db2.gz FAWXNKLKZBRTIH-NQIIRXRSSA-N 1 1 353.510 3.809 20 30 FHEDMO COc1cccc(C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]2CCCO2)c1 ZINC000135004773 929978128 /nfs/dbraw/zinc/97/81/28/929978128.db2.gz ZMHMQHZTKGLWTB-OAQYLSRUSA-N 1 1 366.461 3.757 20 30 FHEDMO C=CCc1cc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)c(O)c(OC)c1 ZINC000178863457 937376423 /nfs/dbraw/zinc/37/64/23/937376423.db2.gz NRMYLZZQSJPVDG-UHFFFAOYSA-N 1 1 366.461 3.646 20 30 FHEDMO O[C@@H]([C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1)C(F)(F)F ZINC000580034362 930014698 /nfs/dbraw/zinc/01/46/98/930014698.db2.gz LFFMYUJRSAZVSE-MFKMUULPSA-N 1 1 359.285 3.980 20 30 FHEDMO O[C@@H]([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1)C(F)(F)F ZINC000580034362 930014710 /nfs/dbraw/zinc/01/47/10/930014710.db2.gz LFFMYUJRSAZVSE-MFKMUULPSA-N 1 1 359.285 3.980 20 30 FHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175857007 930024814 /nfs/dbraw/zinc/02/48/14/930024814.db2.gz AWNAWQOZLYOHDQ-ROUUACIJSA-N 1 1 362.539 3.617 20 30 FHEDMO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)c(Br)cc1O ZINC000610344619 930047898 /nfs/dbraw/zinc/04/78/98/930047898.db2.gz AVIXYRTUPLHRFA-LLVKDONJSA-N 1 1 361.239 3.886 20 30 FHEDMO Cc1ccc(C(C)(C)C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000610370271 930170549 /nfs/dbraw/zinc/17/05/49/930170549.db2.gz YEXFFSVXXDBMRU-NRFANRHFSA-N 1 1 366.505 3.710 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000175793076 930366326 /nfs/dbraw/zinc/36/63/26/930366326.db2.gz NVYVVYUNJVNOOF-CVEARBPZSA-N 1 1 374.444 3.697 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000119146050 930748693 /nfs/dbraw/zinc/74/86/93/930748693.db2.gz YDZPLOWTJDKXBI-UHFFFAOYSA-N 1 1 361.489 3.647 20 30 FHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000471608155 931002902 /nfs/dbraw/zinc/00/29/02/931002902.db2.gz BJQJOJXXXNJPRZ-NRFANRHFSA-N 1 1 373.541 3.521 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCc3occc3C2)c1 ZINC000581035008 931481669 /nfs/dbraw/zinc/48/16/69/931481669.db2.gz IEZHGBKAIHYPIJ-SFHVURJKSA-N 1 1 365.477 3.980 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCc3occc3C2)c1 ZINC000581035008 931481673 /nfs/dbraw/zinc/48/16/73/931481673.db2.gz IEZHGBKAIHYPIJ-SFHVURJKSA-N 1 1 365.477 3.980 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000177894910 931521227 /nfs/dbraw/zinc/52/12/27/931521227.db2.gz CICAMYLPDUTDQH-CVEARBPZSA-N 1 1 358.461 3.816 20 30 FHEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)ccc1F ZINC000160780689 931584565 /nfs/dbraw/zinc/58/45/65/931584565.db2.gz DGKFYCMNDVBFHA-LJQANCHMSA-N 1 1 366.440 3.874 20 30 FHEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)ccc1F ZINC000160780689 931584567 /nfs/dbraw/zinc/58/45/67/931584567.db2.gz DGKFYCMNDVBFHA-LJQANCHMSA-N 1 1 366.440 3.874 20 30 FHEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000156981730 931757562 /nfs/dbraw/zinc/75/75/62/931757562.db2.gz PBIWVOLTVKYTOV-HSZRJFAPSA-N 1 1 358.489 3.916 20 30 FHEDMO CN(Cc1ccccc1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000156981730 931757570 /nfs/dbraw/zinc/75/75/70/931757570.db2.gz PBIWVOLTVKYTOV-HSZRJFAPSA-N 1 1 358.489 3.916 20 30 FHEDMO CN(Cc1ccccc1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000156981730 931757574 /nfs/dbraw/zinc/75/75/74/931757574.db2.gz PBIWVOLTVKYTOV-HSZRJFAPSA-N 1 1 358.489 3.916 20 30 FHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(F)c(F)cc1OC)C2 ZINC001143390767 931771816 /nfs/dbraw/zinc/77/18/16/931771816.db2.gz ZZPHUKWGZRWBRR-WOJBJXKFSA-N 1 1 367.436 3.547 20 30 FHEDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000581337615 931854012 /nfs/dbraw/zinc/85/40/12/931854012.db2.gz RHSYSCMXCWSPJO-FQEVSTJZSA-N 1 1 372.472 3.860 20 30 FHEDMO C=CCCN(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276182850 932015659 /nfs/dbraw/zinc/01/56/59/932015659.db2.gz VTGLJAMUGMZLMR-WMLDXEAASA-N 1 1 353.869 3.689 20 30 FHEDMO N#Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCCC(F)(F)F)c(F)c1 ZINC001279226822 932219263 /nfs/dbraw/zinc/21/92/63/932219263.db2.gz QLRKZHGCFOGWDN-IRXDYDNUSA-N 1 1 355.379 3.688 20 30 FHEDMO CN(CCC#N)c1ccc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000074230859 932255848 /nfs/dbraw/zinc/25/58/48/932255848.db2.gz YBWBUOWRVPEWMA-QHCPKHFHSA-N 1 1 362.521 3.963 20 30 FHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)c2snc(C)c2C#N)cc1)C(C)C ZINC000891433514 932292487 /nfs/dbraw/zinc/29/24/87/932292487.db2.gz MGAAYSPHFZSGJV-UHFFFAOYSA-N 1 1 356.495 3.830 20 30 FHEDMO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000156334584 932438301 /nfs/dbraw/zinc/43/83/01/932438301.db2.gz VOPDHOGGGHYPBN-QFIPXVFZSA-N 1 1 350.462 3.520 20 30 FHEDMO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000156334722 932438792 /nfs/dbraw/zinc/43/87/92/932438792.db2.gz VOPDHOGGGHYPBN-JOCHJYFZSA-N 1 1 350.462 3.520 20 30 FHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000134629923 932612567 /nfs/dbraw/zinc/61/25/67/932612567.db2.gz VRJRZZXWUSVKAY-WBVHZDCISA-N 1 1 368.481 3.689 20 30 FHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000134629923 932612572 /nfs/dbraw/zinc/61/25/72/932612572.db2.gz VRJRZZXWUSVKAY-WBVHZDCISA-N 1 1 368.481 3.689 20 30 FHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000581828713 932704477 /nfs/dbraw/zinc/70/44/77/932704477.db2.gz NBAYOVDMIKHHJB-WOJBJXKFSA-N 1 1 360.461 3.884 20 30 FHEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@H]1CCCC(=O)N1 ZINC000328826831 932756255 /nfs/dbraw/zinc/75/62/55/932756255.db2.gz SYCYIALHXDKNPB-QZTJIDSGSA-N 1 1 357.498 3.925 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000015298576 932986037 /nfs/dbraw/zinc/98/60/37/932986037.db2.gz BJLWJKAJJKIJPF-UHFFFAOYSA-N 1 1 353.441 3.821 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000015298576 932986042 /nfs/dbraw/zinc/98/60/42/932986042.db2.gz BJLWJKAJJKIJPF-UHFFFAOYSA-N 1 1 353.441 3.821 20 30 FHEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000135352326 933045330 /nfs/dbraw/zinc/04/53/30/933045330.db2.gz NUQYDBGHMDRLKZ-LPHOPBHVSA-N 1 1 365.481 3.583 20 30 FHEDMO CC[N@H+]1CCC[C@H](NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000328870743 933061977 /nfs/dbraw/zinc/06/19/77/933061977.db2.gz DFMDLQTWDJMQCP-QQABJKMWSA-N 1 1 361.530 3.990 20 30 FHEDMO COc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000074992378 933096137 /nfs/dbraw/zinc/09/61/37/933096137.db2.gz DEVYYKKXIVPRLY-INIZCTEOSA-N 1 1 363.461 3.773 20 30 FHEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c(F)c(F)ccc1OC)C2 ZINC001143407261 933107856 /nfs/dbraw/zinc/10/78/56/933107856.db2.gz GWMBHFFPHWJJNR-QUCCMNQESA-N 1 1 367.436 3.547 20 30 FHEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c(F)c(F)ccc1OC)C2 ZINC001143407261 933107859 /nfs/dbraw/zinc/10/78/59/933107859.db2.gz GWMBHFFPHWJJNR-QUCCMNQESA-N 1 1 367.436 3.547 20 30 FHEDMO COc1ccc(COCC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000610604076 933512008 /nfs/dbraw/zinc/51/20/08/933512008.db2.gz UVRJNHPTPLVVKC-VXKWHMMOSA-N 1 1 350.462 3.984 20 30 FHEDMO COc1ccc(COCC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000610604076 933512012 /nfs/dbraw/zinc/51/20/12/933512012.db2.gz UVRJNHPTPLVVKC-VXKWHMMOSA-N 1 1 350.462 3.984 20 30 FHEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000610605343 933512976 /nfs/dbraw/zinc/51/29/76/933512976.db2.gz YUMMBBXOWBGKLB-IFMALSPDSA-N 1 1 368.452 3.859 20 30 FHEDMO C=CCOc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000510728974 933593043 /nfs/dbraw/zinc/59/30/43/933593043.db2.gz IWPTUEZSJRJDCB-QGZVFWFLSA-N 1 1 365.477 3.820 20 30 FHEDMO Cc1ncsc1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000510760290 933664430 /nfs/dbraw/zinc/66/44/30/933664430.db2.gz CVULVDLTLSJAKN-KRWDZBQOSA-N 1 1 360.914 3.530 20 30 FHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2(CC#N)CC2)c1 ZINC000431113779 933846639 /nfs/dbraw/zinc/84/66/39/933846639.db2.gz VLZQJOBAVODNEG-UHFFFAOYSA-N 1 1 351.454 3.870 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000431140402 933908754 /nfs/dbraw/zinc/90/87/54/933908754.db2.gz QLNFHKOCNOCFDO-PZJWPPBQSA-N 1 1 352.478 3.633 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000431140402 933908761 /nfs/dbraw/zinc/90/87/61/933908761.db2.gz QLNFHKOCNOCFDO-PZJWPPBQSA-N 1 1 352.478 3.633 20 30 FHEDMO C[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)CC(C)(C)CCC#N ZINC000092195922 933932053 /nfs/dbraw/zinc/93/20/53/933932053.db2.gz RTRZSSIQJHIVQF-CQSZACIVSA-N 1 1 358.404 3.707 20 30 FHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1N1CCOCC1 ZINC000092646372 934122510 /nfs/dbraw/zinc/12/25/10/934122510.db2.gz UFRSGACWFWHNLG-UHFFFAOYSA-N 1 1 367.449 3.620 20 30 FHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1N1CCOCC1 ZINC000092646372 934122512 /nfs/dbraw/zinc/12/25/12/934122512.db2.gz UFRSGACWFWHNLG-UHFFFAOYSA-N 1 1 367.449 3.620 20 30 FHEDMO C[N@H+]1CCC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000247546277 934146839 /nfs/dbraw/zinc/14/68/39/934146839.db2.gz YKTJOVCZMMFTNV-RXVVDRJESA-N 1 1 367.518 3.752 20 30 FHEDMO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1cccnc1 ZINC000176191751 934212135 /nfs/dbraw/zinc/21/21/35/934212135.db2.gz UTIUKXZYYHQJFB-CALCHBBNSA-N 1 1 355.511 3.742 20 30 FHEDMO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1cccnc1 ZINC000176191751 934212141 /nfs/dbraw/zinc/21/21/41/934212141.db2.gz UTIUKXZYYHQJFB-CALCHBBNSA-N 1 1 355.511 3.742 20 30 FHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535785158 934376102 /nfs/dbraw/zinc/37/61/02/934376102.db2.gz AGMMHGLLPSEXOY-UHFFFAOYSA-N 1 1 363.440 3.936 20 30 FHEDMO C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413421433 934597716 /nfs/dbraw/zinc/59/77/16/934597716.db2.gz WZAKMIUAWIYSQK-ZWUHOBOKSA-N 1 1 353.388 3.648 20 30 FHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000610933066 934633770 /nfs/dbraw/zinc/63/37/70/934633770.db2.gz XWHPHWFMZDTGJJ-DYESRHJHSA-N 1 1 359.473 3.542 20 30 FHEDMO COc1ccc(C#N)cc1C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000610965037 934662688 /nfs/dbraw/zinc/66/26/88/934662688.db2.gz VYNGDTOYIJAOOH-SFHVURJKSA-N 1 1 364.367 3.583 20 30 FHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C(C)C)C2CC2)c1C#N ZINC000215664618 934705983 /nfs/dbraw/zinc/70/59/83/934705983.db2.gz QHKFLOAFYWMGOX-UHFFFAOYSA-N 1 1 350.466 3.777 20 30 FHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)ccn1 ZINC000610993469 934730077 /nfs/dbraw/zinc/73/00/77/934730077.db2.gz PIWOQHVYVMFIQA-INIZCTEOSA-N 1 1 363.396 3.522 20 30 FHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)ccn1 ZINC000610993317 934738004 /nfs/dbraw/zinc/73/80/04/934738004.db2.gz KNHSTJGADGHXAQ-MRXNPFEDSA-N 1 1 363.396 3.522 20 30 FHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2nnc(-c3ccccc3)s2)cc1 ZINC000151256004 934763500 /nfs/dbraw/zinc/76/35/00/934763500.db2.gz GBAAUMVKTHKDSL-AWEZNQCLSA-N 1 1 350.447 3.786 20 30 FHEDMO C=C(C)[C@H](CC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)OCC ZINC000535914628 934785835 /nfs/dbraw/zinc/78/58/35/934785835.db2.gz MIKMUVLUEPLNAU-PXNSSMCTSA-N 1 1 360.498 3.717 20 30 FHEDMO C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156661585 934839244 /nfs/dbraw/zinc/83/92/44/934839244.db2.gz NUUMTMKQPXMRGS-TZYHBYERSA-N 1 1 363.505 3.577 20 30 FHEDMO C[C@H]1C[C@@H](N(C)C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156661585 934839249 /nfs/dbraw/zinc/83/92/49/934839249.db2.gz NUUMTMKQPXMRGS-TZYHBYERSA-N 1 1 363.505 3.577 20 30 FHEDMO C[C@H]1C[C@@H](N(C)C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156661585 934839255 /nfs/dbraw/zinc/83/92/55/934839255.db2.gz NUUMTMKQPXMRGS-TZYHBYERSA-N 1 1 363.505 3.577 20 30 FHEDMO C=C(C)COc1cc(C[NH+]2CCN(c3nc(C)cs3)CC2)ccc1OC ZINC000507248332 945072012 /nfs/dbraw/zinc/07/20/12/945072012.db2.gz UWBFPSYACKPSRC-UHFFFAOYSA-N 1 1 373.522 3.737 20 30 FHEDMO C[N@@H+](Cc1ccc(C#N)s1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000119693766 935055417 /nfs/dbraw/zinc/05/54/17/935055417.db2.gz YPPAUFQJZDTUCG-YIONKMFJSA-N 1 1 361.511 3.982 20 30 FHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000516638468 945077815 /nfs/dbraw/zinc/07/78/15/945077815.db2.gz QBDPXKOMTQUTMK-IHWFROFDSA-N 1 1 373.545 3.567 20 30 FHEDMO N#Cc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)ccc1F ZINC000551549609 935309959 /nfs/dbraw/zinc/30/99/59/935309959.db2.gz XNBPPLBQXOZJKO-LJQANCHMSA-N 1 1 371.843 3.918 20 30 FHEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511081380 935317435 /nfs/dbraw/zinc/31/74/35/935317435.db2.gz MQADSBBXGSXXEZ-INIZCTEOSA-N 1 1 367.415 3.647 20 30 FHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(SC)c(OC)c1 ZINC000068816338 935335996 /nfs/dbraw/zinc/33/59/96/935335996.db2.gz PLKMUHIEQUGCDS-UHFFFAOYSA-N 1 1 356.491 3.937 20 30 FHEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000582153971 935352811 /nfs/dbraw/zinc/35/28/11/935352811.db2.gz VJWZPQRQTWSTJY-MRXNPFEDSA-N 1 1 367.415 3.705 20 30 FHEDMO C=CCCn1cc(C[NH2+]Cc2cc(-c3ccc(OC)cc3)cs2)nn1 ZINC000657385689 935490508 /nfs/dbraw/zinc/49/05/08/935490508.db2.gz YBYPTPCORAKCQX-UHFFFAOYSA-N 1 1 354.479 3.881 20 30 FHEDMO CCC[N@@H+](CC)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000472217531 935525857 /nfs/dbraw/zinc/52/58/57/935525857.db2.gz TUHBNFMLRYDYDS-UHFFFAOYSA-N 1 1 365.477 3.599 20 30 FHEDMO COC(=O)c1cccc(C[NH+]2CCC(c3cccc(OC)c3)CC2)c1C#N ZINC000548731556 935546605 /nfs/dbraw/zinc/54/66/05/935546605.db2.gz FDIPQGQYLTXBAY-UHFFFAOYSA-N 1 1 364.445 3.733 20 30 FHEDMO C[N@@H+](CCc1cccc2ccccc21)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000507294295 945112646 /nfs/dbraw/zinc/11/26/46/945112646.db2.gz VTWRZTXDPAXWJA-HSZRJFAPSA-N 1 1 369.468 3.991 20 30 FHEDMO CCC1CCC([N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)CC1 ZINC000478427862 935632028 /nfs/dbraw/zinc/63/20/28/935632028.db2.gz MTHPDBXTVBPAJC-UHFFFAOYSA-N 1 1 360.523 3.765 20 30 FHEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1C#N ZINC000478649112 935675391 /nfs/dbraw/zinc/67/53/91/935675391.db2.gz MURIYPDSVBLNKM-KGLIPLIRSA-N 1 1 372.538 3.545 20 30 FHEDMO Cc1cc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(C#N)cc1N(C)C ZINC000563355279 935704466 /nfs/dbraw/zinc/70/44/66/935704466.db2.gz JQFIUVSXVDWOCS-IBGZPJMESA-N 1 1 370.884 3.828 20 30 FHEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000277778409 935923101 /nfs/dbraw/zinc/92/31/01/935923101.db2.gz RRBHEUSBUDVWDU-HNNXBMFYSA-N 1 1 366.303 3.627 20 30 FHEDMO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518807 935955699 /nfs/dbraw/zinc/95/56/99/935955699.db2.gz UIRYGGMMTAXBCU-QAPCUYQASA-N 1 1 353.491 3.804 20 30 FHEDMO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518807 935955702 /nfs/dbraw/zinc/95/57/02/935955702.db2.gz UIRYGGMMTAXBCU-QAPCUYQASA-N 1 1 353.491 3.804 20 30 FHEDMO N#Cc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000166158704 935980075 /nfs/dbraw/zinc/98/00/75/935980075.db2.gz QVFJIMOMUANUBL-CQSZACIVSA-N 1 1 356.451 3.852 20 30 FHEDMO CN(c1c(C#N)nnc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074775231 935996321 /nfs/dbraw/zinc/99/63/21/935996321.db2.gz QYNHFFHZFQNRRT-GOSISDBHSA-N 1 1 357.461 3.602 20 30 FHEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(F)c(F)c1 ZINC000187765617 936015437 /nfs/dbraw/zinc/01/54/37/936015437.db2.gz VETVCTJRUNRLMQ-NQIIRXRSSA-N 1 1 372.415 3.812 20 30 FHEDMO N#CCC[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000438854208 945142043 /nfs/dbraw/zinc/14/20/43/945142043.db2.gz RDCWPLBBELDEJS-LEWJYISDSA-N 1 1 362.477 3.605 20 30 FHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCSCC#N)[C@@H]2CCCC[C@@H]12 ZINC000439985823 945154041 /nfs/dbraw/zinc/15/40/41/945154041.db2.gz WCBZFLRKDLTZFI-LTFXXXRZSA-N 1 1 365.587 3.817 20 30 FHEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)CC(C)(C)C#N)c1 ZINC000458542038 938264207 /nfs/dbraw/zinc/26/42/07/938264207.db2.gz JUYMWFVNYMDXSD-UHFFFAOYSA-N 1 1 358.530 4.000 20 30 FHEDMO Cc1c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)nnn1-c1ccccc1Cl ZINC000329204005 938288898 /nfs/dbraw/zinc/28/88/98/938288898.db2.gz YRNGFRXCRRDUCT-AWEZNQCLSA-N 1 1 373.888 3.551 20 30 FHEDMO C=C(C)[C@H]([NH2+]Cc1cc(=O)n2cccc(C)c2n1)c1ccc(F)c(F)c1 ZINC000187784004 938309016 /nfs/dbraw/zinc/30/90/16/938309016.db2.gz XKPNURCONSSKTH-IBGZPJMESA-N 1 1 355.388 3.688 20 30 FHEDMO C=CCc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(O)c(OC)c1 ZINC000157013215 938309181 /nfs/dbraw/zinc/30/91/81/938309181.db2.gz KOEDFMZBKKZUHY-UHFFFAOYSA-N 1 1 354.406 3.596 20 30 FHEDMO O=C(Nc1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1)c1cccs1 ZINC000329272035 938309715 /nfs/dbraw/zinc/30/97/15/938309715.db2.gz IJLGDWNRSRUJAN-UHFFFAOYSA-N 1 1 369.490 3.695 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245699719 938310171 /nfs/dbraw/zinc/31/01/71/938310171.db2.gz YZPDNGQMPSLFJL-RBUKOAKNSA-N 1 1 355.507 3.891 20 30 FHEDMO Cc1[nH]c2ccccc2c1C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329272638 938311407 /nfs/dbraw/zinc/31/14/07/938311407.db2.gz AHNVEIMKWVUNDV-KRWDZBQOSA-N 1 1 366.509 3.806 20 30 FHEDMO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000583593737 938311414 /nfs/dbraw/zinc/31/14/14/938311414.db2.gz OUUGMVDGOKPOQM-MEBBXXQBSA-N 1 1 366.284 3.643 20 30 FHEDMO 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362.458 3.923 20 30 FHEDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000472307262 938467482 /nfs/dbraw/zinc/46/74/82/938467482.db2.gz WCLYSQGRDAXKAS-MSOLQXFVSA-N 1 1 372.831 3.918 20 30 FHEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000472307262 938467484 /nfs/dbraw/zinc/46/74/84/938467484.db2.gz WCLYSQGRDAXKAS-MSOLQXFVSA-N 1 1 372.831 3.918 20 30 FHEDMO CC(C)(C#N)CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000278572551 938543984 /nfs/dbraw/zinc/54/39/84/938543984.db2.gz QZVNAQFDGRSKKU-UHFFFAOYSA-N 1 1 367.415 3.680 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000584026573 938556314 /nfs/dbraw/zinc/55/63/14/938556314.db2.gz SFJBIQXZDUIUFR-AZUAARDMSA-N 1 1 356.510 3.539 20 30 FHEDMO C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)C1([NH+]2CCOCC2)CCCC1 ZINC000329643884 938570817 /nfs/dbraw/zinc/57/08/17/938570817.db2.gz IIVCSVGQYKYLDZ-MRXNPFEDSA-N 1 1 369.465 3.680 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000440030149 945188403 /nfs/dbraw/zinc/18/84/03/945188403.db2.gz PWGNAVCKKCULIJ-GOSISDBHSA-N 1 1 362.473 3.694 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000440030149 945188408 /nfs/dbraw/zinc/18/84/08/945188408.db2.gz PWGNAVCKKCULIJ-GOSISDBHSA-N 1 1 362.473 3.694 20 30 FHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCc3cc(C)ccc32)C1 ZINC000329672898 938597527 /nfs/dbraw/zinc/59/75/27/938597527.db2.gz NSVLVXRGQPQECG-IEBWSBKVSA-N 1 1 352.482 3.992 20 30 FHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3cc(C)ccc32)C1 ZINC000329672898 938597528 /nfs/dbraw/zinc/59/75/28/938597528.db2.gz NSVLVXRGQPQECG-IEBWSBKVSA-N 1 1 352.482 3.992 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c(F)c1 ZINC000052829755 938614607 /nfs/dbraw/zinc/61/46/07/938614607.db2.gz GVSPAODUVADVSG-HNNXBMFYSA-N 1 1 372.831 3.596 20 30 FHEDMO Cc1ccc(N2CCC[C@H](C(=O)N[C@@H](CCC#N)c3ccccc3)C2)[nH+]c1 ZINC000375748217 938860442 /nfs/dbraw/zinc/86/04/42/938860442.db2.gz GQKFIWJPGDPDNF-PMACEKPBSA-N 1 1 362.477 3.768 20 30 FHEDMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942800 938866852 /nfs/dbraw/zinc/86/68/52/938866852.db2.gz BGBZNIZERQAGRC-JTQLQIEISA-N 1 1 352.269 3.796 20 30 FHEDMO C=CCn1c([C@@H](C)CC)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000685533734 938997086 /nfs/dbraw/zinc/99/70/86/938997086.db2.gz OMNKDHVNKOAPSN-ROUUACIJSA-N 1 1 353.514 3.688 20 30 FHEDMO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000166955173 939014314 /nfs/dbraw/zinc/01/43/14/939014314.db2.gz QVPYPHJOPLLQNT-INIZCTEOSA-N 1 1 350.422 3.567 20 30 FHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000612106070 939053612 /nfs/dbraw/zinc/05/36/12/939053612.db2.gz QYDAFOBWQSPZIT-AVRDEDQJSA-N 1 1 368.525 3.896 20 30 FHEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612132179 939119057 /nfs/dbraw/zinc/11/90/57/939119057.db2.gz HAOJXULSNAWTEZ-YPAWHYETSA-N 1 1 359.473 3.589 20 30 FHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188341054 939200539 /nfs/dbraw/zinc/20/05/39/939200539.db2.gz PXHQNZXWXNDDKG-UHFFFAOYSA-N 1 1 361.489 3.746 20 30 FHEDMO C=CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255542 945257139 /nfs/dbraw/zinc/25/71/39/945257139.db2.gz OYCKMEMNGRNVLI-DBXWQHBBSA-N 1 1 369.513 3.807 20 30 FHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(Cl)cc2c1OCC2 ZINC000516809049 945273542 /nfs/dbraw/zinc/27/35/42/945273542.db2.gz UAPJYRQSAGBHJY-UHFFFAOYSA-N 1 1 356.853 3.795 20 30 FHEDMO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000179518066 939879103 /nfs/dbraw/zinc/87/91/03/939879103.db2.gz CYGWLYFHNZNSBH-INIZCTEOSA-N 1 1 355.869 3.953 20 30 FHEDMO N#Cc1ccc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000516823748 945285375 /nfs/dbraw/zinc/28/53/75/945285375.db2.gz ARKRABKXHKGMTK-CQSZACIVSA-N 1 1 356.451 3.852 20 30 FHEDMO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1ccc(C#N)cc1 ZINC000548932208 940088523 /nfs/dbraw/zinc/08/85/23/940088523.db2.gz UZKJYGZIJIWQJB-ZDUSSCGKSA-N 1 1 351.841 3.858 20 30 FHEDMO COCCn1ncc2c1[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1Cl)CCC2 ZINC000365301101 940117288 /nfs/dbraw/zinc/11/72/88/940117288.db2.gz WVCFGWURDMDXMY-FZKQIMNGSA-N 1 1 358.873 3.783 20 30 FHEDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000179937660 940146594 /nfs/dbraw/zinc/14/65/94/940146594.db2.gz PTZSTTAKTJGTSF-NSHDSACASA-N 1 1 361.804 3.649 20 30 FHEDMO N#Cc1c(F)ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1Cl ZINC000365433291 940156638 /nfs/dbraw/zinc/15/66/38/940156638.db2.gz QPLRWSKHHLWZQI-INIZCTEOSA-N 1 1 366.864 3.901 20 30 FHEDMO COc1cc(C[NH2+]CC(C)(C)C#N)cc(OC)c1OCc1ccccc1 ZINC000612584937 940162401 /nfs/dbraw/zinc/16/24/01/940162401.db2.gz IDSGRBYZLQKIFX-UHFFFAOYSA-N 1 1 354.450 3.922 20 30 FHEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000413834193 940166971 /nfs/dbraw/zinc/16/69/71/940166971.db2.gz LLOUDCPOLFQUMO-RTWAWAEBSA-N 1 1 355.526 3.547 20 30 FHEDMO COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000179995263 940210384 /nfs/dbraw/zinc/21/03/84/940210384.db2.gz FMORTONHASSTAP-KDOFPFPSSA-N 1 1 367.424 3.552 20 30 FHEDMO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(F)c1F ZINC000180004833 940224803 /nfs/dbraw/zinc/22/48/03/940224803.db2.gz POLIHDGEJHCDAH-UGSOOPFHSA-N 1 1 355.388 3.683 20 30 FHEDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)cc(OC)c1 ZINC000180024431 940272716 /nfs/dbraw/zinc/27/27/16/940272716.db2.gz OAZRKZHYTXVXGB-AWEZNQCLSA-N 1 1 357.479 3.713 20 30 FHEDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000376129511 940345256 /nfs/dbraw/zinc/34/52/56/940345256.db2.gz LHFPVENMLMOENT-MSOLQXFVSA-N 1 1 357.816 3.526 20 30 FHEDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000376129511 940345259 /nfs/dbraw/zinc/34/52/59/940345259.db2.gz LHFPVENMLMOENT-MSOLQXFVSA-N 1 1 357.816 3.526 20 30 FHEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)N(CCC#N)CCC#N)C1CC1 ZINC000066423020 940485880 /nfs/dbraw/zinc/48/58/80/940485880.db2.gz RKLGENSSGSMYLK-OAHLLOKOSA-N 1 1 358.873 3.521 20 30 FHEDMO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000581707818 940510471 /nfs/dbraw/zinc/51/04/71/940510471.db2.gz UBEKBSHMBQTVLC-RBUKOAKNSA-N 1 1 374.444 3.944 20 30 FHEDMO C[N@@H+](CCOc1ccc(Br)cc1)Cc1cc(C#N)cs1 ZINC000506802570 945340036 /nfs/dbraw/zinc/34/00/36/945340036.db2.gz CJXJSGNGPBIZKD-UHFFFAOYSA-N 1 1 351.269 3.893 20 30 FHEDMO Cc1cc(C#N)cc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)n1 ZINC000376423533 940971796 /nfs/dbraw/zinc/97/17/96/940971796.db2.gz ULPQYFNPRUWUHY-UHFFFAOYSA-N 1 1 373.460 3.993 20 30 FHEDMO C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000176091444 940988474 /nfs/dbraw/zinc/98/84/74/940988474.db2.gz FUBOIJRBPXATPH-MRXNPFEDSA-N 1 1 366.440 3.826 20 30 FHEDMO COc1cc(Cl)c(Cl)cc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330127956 945368322 /nfs/dbraw/zinc/36/83/22/945368322.db2.gz NEXLCWNMZAKWHL-OCCSQVGLSA-N 1 1 358.269 3.955 20 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/nfs/dbraw/zinc/30/33/25/941303325.db2.gz JAPLHLXWJMTMDS-QGZVFWFLSA-N 1 1 365.452 3.535 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC(C)(C)CCC#N ZINC000376709029 941385554 /nfs/dbraw/zinc/38/55/54/941385554.db2.gz FMWDGUHBQIRRLC-IEBWSBKVSA-N 1 1 356.514 3.526 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)NCC(C)(C)CCC#N ZINC000377032865 941498596 /nfs/dbraw/zinc/49/85/96/941498596.db2.gz RZYAUORCNGUHRS-UYAOXDASSA-N 1 1 370.541 3.868 20 30 FHEDMO COc1ccc(C#N)cc1NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472741491 941660086 /nfs/dbraw/zinc/66/00/86/941660086.db2.gz SZCJSWWKEZIQDY-INIZCTEOSA-N 1 1 366.465 3.599 20 30 FHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000472747865 941667898 /nfs/dbraw/zinc/66/78/98/941667898.db2.gz IBBRFHFRHXGFTC-BBRMVZONSA-N 1 1 371.262 3.755 20 30 FHEDMO N#CCSCCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377496501 941768963 /nfs/dbraw/zinc/76/89/63/941768963.db2.gz UAZKLRHUOVHFLT-OAHLLOKOSA-N 1 1 360.401 3.605 20 30 FHEDMO N#CCSCCC[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377496501 941768967 /nfs/dbraw/zinc/76/89/67/941768967.db2.gz UAZKLRHUOVHFLT-OAHLLOKOSA-N 1 1 360.401 3.605 20 30 FHEDMO Cc1cc(NC(=O)CC(C)(C)C#N)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000377538157 941789802 /nfs/dbraw/zinc/78/98/02/941789802.db2.gz SYWVTZJJFJTKSB-SFHVURJKSA-N 1 1 365.481 3.517 20 30 FHEDMO C=CC[N@H+](Cc1ccc(OC)cc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000565081670 941794196 /nfs/dbraw/zinc/79/41/96/941794196.db2.gz RTYLLOQJHJGXTK-HNNXBMFYSA-N 1 1 367.428 3.559 20 30 FHEDMO CC1(C)CCC[N@@H+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458839415 941798727 /nfs/dbraw/zinc/79/87/27/941798727.db2.gz MUBWZCLUDGGQAD-LJQANCHMSA-N 1 1 356.514 3.843 20 30 FHEDMO C=CCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000472797769 941810154 /nfs/dbraw/zinc/81/01/54/941810154.db2.gz ZDMQIXTUVAYXKY-PMACEKPBSA-N 1 1 357.498 3.629 20 30 FHEDMO CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000330132152 941814900 /nfs/dbraw/zinc/81/49/00/941814900.db2.gz QDIPBQAWENJZJZ-ZSZQSSIHSA-N 1 1 359.518 3.657 20 30 FHEDMO C=CC[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1)c1ccncc1 ZINC000892973753 941823874 /nfs/dbraw/zinc/82/38/74/941823874.db2.gz WVRHVOQZFQKBON-INIZCTEOSA-N 1 1 355.442 3.626 20 30 FHEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000513320244 941845354 /nfs/dbraw/zinc/84/53/54/941845354.db2.gz KTFWPSJURYPDEX-UHFFFAOYSA-N 1 1 371.485 3.694 20 30 FHEDMO C=C(C)Cn1c(C2CC2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000549291028 941857003 /nfs/dbraw/zinc/85/70/03/941857003.db2.gz UJPFAJICKOTDJY-HXUWFJFHSA-N 1 1 365.525 3.832 20 30 FHEDMO C=CCc1cc(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)cc(OC)c1O ZINC000377666980 941883321 /nfs/dbraw/zinc/88/33/21/941883321.db2.gz DCFLELIUJOUHBB-SFHVURJKSA-N 1 1 372.465 3.525 20 30 FHEDMO C#C[C@@H]([NH2+]C1CCN(Cc2cscn2)CC1)c1ccc(Cl)cc1F ZINC000377697076 941913431 /nfs/dbraw/zinc/91/34/31/941913431.db2.gz IJUFQDWHIWOLLY-GOSISDBHSA-N 1 1 363.889 3.864 20 30 FHEDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388742638 942057549 /nfs/dbraw/zinc/05/75/49/942057549.db2.gz LKAQTZNKMAFTQC-DOTOQJQBSA-N 1 1 350.422 3.789 20 30 FHEDMO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000549383223 942105896 /nfs/dbraw/zinc/10/58/96/942105896.db2.gz PVTOITMIQQEMPM-UHFFFAOYSA-N 1 1 357.461 3.920 20 30 FHEDMO C[C@@H]([NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)NC1(C#N)CCC1 ZINC000469124118 942117157 /nfs/dbraw/zinc/11/71/57/942117157.db2.gz WYTKMMIYVIOURQ-NXEZZACHSA-N 1 1 358.244 3.734 20 30 FHEDMO COC(=O)[C@@H](N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1cccc(C#N)c1 ZINC000183149155 942184411 /nfs/dbraw/zinc/18/44/11/942184411.db2.gz ZSBYKWSANUZSPF-VFNWGFHPSA-N 1 1 374.444 3.617 20 30 FHEDMO CCC[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1 ZINC000502062794 942194131 /nfs/dbraw/zinc/19/41/31/942194131.db2.gz VENAFHNYPOZBQE-UHFFFAOYSA-N 1 1 364.449 3.509 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513699582 942211945 /nfs/dbraw/zinc/21/19/45/942211945.db2.gz AVMZWGPGRABZSN-UHFFFAOYSA-N 1 1 350.466 3.899 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ncccc3C(F)(F)F)CC2)cc1 ZINC000122804980 942236641 /nfs/dbraw/zinc/23/66/41/942236641.db2.gz DBNKAWMDZDLDRC-UHFFFAOYSA-N 1 1 374.410 3.680 20 30 FHEDMO CC[N@@H+](Cc1cccc(CN2CCOCC2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000420901932 942245598 /nfs/dbraw/zinc/24/55/98/942245598.db2.gz LOCOMGZQWFOQSM-LJQANCHMSA-N 1 1 363.505 3.974 20 30 FHEDMO C[C@@H](c1ccccc1)[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1O ZINC000179643105 942263817 /nfs/dbraw/zinc/26/38/17/942263817.db2.gz SNDNTVUXLLDDDO-SFHVURJKSA-N 1 1 365.477 3.718 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](CC(F)(F)F)C3)o2)c1 ZINC000420956431 942274273 /nfs/dbraw/zinc/27/42/73/942274273.db2.gz YGDZJKAKFJJBDU-ZDUSSCGKSA-N 1 1 350.344 3.773 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](CC(F)(F)F)C3)o2)c1 ZINC000420956431 942274276 /nfs/dbraw/zinc/27/42/76/942274276.db2.gz YGDZJKAKFJJBDU-ZDUSSCGKSA-N 1 1 350.344 3.773 20 30 FHEDMO CC[N@@H+](CCOc1ccccc1C)CCC(=O)Nc1ccccc1C#N ZINC000420969516 942285242 /nfs/dbraw/zinc/28/52/42/942285242.db2.gz CFGXCPDKGWIAAW-UHFFFAOYSA-N 1 1 351.450 3.596 20 30 FHEDMO COc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1OCCCC#N ZINC000414490046 942301310 /nfs/dbraw/zinc/30/13/10/942301310.db2.gz UVRFYOLSVUEJMX-PMACEKPBSA-N 1 1 366.461 3.686 20 30 FHEDMO COc1ccc2c(c1)OC(C)(C)C[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000421039966 942312642 /nfs/dbraw/zinc/31/26/42/942312642.db2.gz MQPVKKVQTDOQAO-UHFFFAOYSA-N 1 1 358.482 3.769 20 30 FHEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000501206542 942352137 /nfs/dbraw/zinc/35/21/37/942352137.db2.gz SJWFUOWQGDDSQJ-HXUWFJFHSA-N 1 1 354.425 3.887 20 30 FHEDMO COc1cc(C#N)ccc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000501206542 942352141 /nfs/dbraw/zinc/35/21/41/942352141.db2.gz SJWFUOWQGDDSQJ-HXUWFJFHSA-N 1 1 354.425 3.887 20 30 FHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502319395 942352192 /nfs/dbraw/zinc/35/21/92/942352192.db2.gz PQBNXIHLZLTZDH-HDICACEKSA-N 1 1 366.509 3.620 20 30 FHEDMO C=C(CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000501404711 942463022 /nfs/dbraw/zinc/46/30/22/942463022.db2.gz ZLXCACCURVTVFZ-KNQAVFIVSA-N 1 1 363.505 3.910 20 30 FHEDMO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502508843 942486320 /nfs/dbraw/zinc/48/63/20/942486320.db2.gz TZNQZMLEELZKIG-GOSISDBHSA-N 1 1 359.473 3.694 20 30 FHEDMO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502508843 942486324 /nfs/dbraw/zinc/48/63/24/942486324.db2.gz TZNQZMLEELZKIG-GOSISDBHSA-N 1 1 359.473 3.694 20 30 FHEDMO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528569 942503638 /nfs/dbraw/zinc/50/36/38/942503638.db2.gz KPICFNFLFZYHSA-DYESRHJHSA-N 1 1 351.494 3.684 20 30 FHEDMO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528569 942503643 /nfs/dbraw/zinc/50/36/43/942503643.db2.gz KPICFNFLFZYHSA-DYESRHJHSA-N 1 1 351.494 3.684 20 30 FHEDMO C=CCOc1cccc(C[N@@H+](CCNC(C)=O)Cc2ccc(C)s2)c1 ZINC000549410098 942508676 /nfs/dbraw/zinc/50/86/76/942508676.db2.gz OJROZCKHKLKQDJ-UHFFFAOYSA-N 1 1 358.507 3.760 20 30 FHEDMO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502548418 942525914 /nfs/dbraw/zinc/52/59/14/942525914.db2.gz KXBIIBPXNZBDSZ-JOCHJYFZSA-N 1 1 362.473 3.704 20 30 FHEDMO Cc1ccnc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1C#N ZINC000541276304 942556542 /nfs/dbraw/zinc/55/65/42/942556542.db2.gz JKYKDSKHGJWDID-MRXNPFEDSA-N 1 1 360.383 3.967 20 30 FHEDMO CO[C@@H](C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000513882265 942574506 /nfs/dbraw/zinc/57/45/06/942574506.db2.gz FKHKQFXPJNCJPF-NRFANRHFSA-N 1 1 369.896 3.717 20 30 FHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513895347 942585389 /nfs/dbraw/zinc/58/53/89/942585389.db2.gz CRNJBAQMXBMXMJ-HXUWFJFHSA-N 1 1 364.489 3.846 20 30 FHEDMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000513958438 942623660 /nfs/dbraw/zinc/62/36/60/942623660.db2.gz QSNIAVMQIOWXNI-PIPMEXSNSA-N 1 1 352.478 3.553 20 30 FHEDMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000513958438 942623662 /nfs/dbraw/zinc/62/36/62/942623662.db2.gz QSNIAVMQIOWXNI-PIPMEXSNSA-N 1 1 352.478 3.553 20 30 FHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000378390599 942693605 /nfs/dbraw/zinc/69/36/05/942693605.db2.gz AJALGAGHQQBVSS-UHFFFAOYSA-N 1 1 365.481 3.521 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000501829130 942699538 /nfs/dbraw/zinc/69/95/38/942699538.db2.gz RHLPXRKWQJKBKF-AWEZNQCLSA-N 1 1 358.404 3.830 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000501829130 942699541 /nfs/dbraw/zinc/69/95/41/942699541.db2.gz RHLPXRKWQJKBKF-AWEZNQCLSA-N 1 1 358.404 3.830 20 30 FHEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000421700690 942772633 /nfs/dbraw/zinc/77/26/33/942772633.db2.gz FUQXHGZLSCUWEF-SFHVURJKSA-N 1 1 365.502 3.876 20 30 FHEDMO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000502858885 942803101 /nfs/dbraw/zinc/80/31/01/942803101.db2.gz JBJFZIUJMLZHLT-HXUWFJFHSA-N 1 1 368.502 3.624 20 30 FHEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000378475754 942804859 /nfs/dbraw/zinc/80/48/59/942804859.db2.gz PFZWUAXFSOTJLI-JRGCBEDISA-N 1 1 357.498 3.670 20 30 FHEDMO CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C[C@H]1CCCO1 ZINC000514203164 942811309 /nfs/dbraw/zinc/81/13/09/942811309.db2.gz GKKVLYPOGUDBTN-HZPDHXFCSA-N 1 1 361.511 3.520 20 30 FHEDMO CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C[C@H]1CCCO1 ZINC000514203164 942811315 /nfs/dbraw/zinc/81/13/15/942811315.db2.gz GKKVLYPOGUDBTN-HZPDHXFCSA-N 1 1 361.511 3.520 20 30 FHEDMO Cc1cc([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)cc(C)c1Br ZINC000330204775 942812733 /nfs/dbraw/zinc/81/27/33/942812733.db2.gz BWSJUFIXFCFXKV-GFCCVEGCSA-N 1 1 363.259 3.603 20 30 FHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190181794 942855022 /nfs/dbraw/zinc/85/50/22/942855022.db2.gz JMIYHUIYYUWKCF-DOMZBBRYSA-N 1 1 353.388 3.796 20 30 FHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190181794 942855025 /nfs/dbraw/zinc/85/50/25/942855025.db2.gz JMIYHUIYYUWKCF-DOMZBBRYSA-N 1 1 353.388 3.796 20 30 FHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCSC(C)(C)CC1 ZINC000434671773 942857123 /nfs/dbraw/zinc/85/71/23/942857123.db2.gz JQPBTKORZVKSKK-GFCCVEGCSA-N 1 1 351.903 3.756 20 30 FHEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000549446686 942951404 /nfs/dbraw/zinc/95/14/04/942951404.db2.gz YYVOFVOBMLPDRU-HNNXBMFYSA-N 1 1 357.235 3.631 20 30 FHEDMO COc1ccc(C[N@H+](Cc2ccc(OC)c(C#N)c2)CC2CC2)c(OC)c1 ZINC000503191617 943051035 /nfs/dbraw/zinc/05/10/35/943051035.db2.gz GGZYJDPTJWQMEB-UHFFFAOYSA-N 1 1 366.461 3.996 20 30 FHEDMO CC(C)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000434936917 943063361 /nfs/dbraw/zinc/06/33/61/943063361.db2.gz GYJICLRRXBGLLM-UHFFFAOYSA-N 1 1 360.461 3.917 20 30 FHEDMO C=CCc1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc(OC)c1O ZINC000434989326 943089463 /nfs/dbraw/zinc/08/94/63/943089463.db2.gz CBMCXKHCVSHAAQ-HXUWFJFHSA-N 1 1 352.478 3.618 20 30 FHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000435051950 943124786 /nfs/dbraw/zinc/12/47/86/943124786.db2.gz YPXQQOFXCSMPAQ-HKUYNNGSSA-N 1 1 354.837 3.915 20 30 FHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000435051950 943124791 /nfs/dbraw/zinc/12/47/91/943124791.db2.gz YPXQQOFXCSMPAQ-HKUYNNGSSA-N 1 1 354.837 3.915 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000272431078 943154544 /nfs/dbraw/zinc/15/45/44/943154544.db2.gz OYZROISHNACZEQ-GOSISDBHSA-N 1 1 368.525 3.896 20 30 FHEDMO CC[N@@H+](CCC1CCN(C(=O)Nc2cccc(C#N)n2)CC1)CC(C)C ZINC000514671548 943204374 /nfs/dbraw/zinc/20/43/74/943204374.db2.gz SWEOTNAMVMAGEU-UHFFFAOYSA-N 1 1 357.502 3.565 20 30 FHEDMO C[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@H+](C2CC2)C1 ZINC000458846625 943222580 /nfs/dbraw/zinc/22/25/80/943222580.db2.gz RCJUGQXTBOARAB-XLIONFOSSA-N 1 1 354.498 3.547 20 30 FHEDMO CN(C(=O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1)C1(C#N)CCCCC1 ZINC000514748875 943264891 /nfs/dbraw/zinc/26/48/91/943264891.db2.gz YXJQRJUWNCWSOO-UHFFFAOYSA-N 1 1 355.457 3.600 20 30 FHEDMO CN(C(=O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)C1(C#N)CCCCC1 ZINC000514748875 943264897 /nfs/dbraw/zinc/26/48/97/943264897.db2.gz YXJQRJUWNCWSOO-UHFFFAOYSA-N 1 1 355.457 3.600 20 30 FHEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C2)C1 ZINC000505652903 943300831 /nfs/dbraw/zinc/30/08/31/943300831.db2.gz BRTGAJGRGQZWQE-QFIPXVFZSA-N 1 1 364.493 3.503 20 30 FHEDMO C[C@@H](C#N)N(CCCc1c[nH+]cn1C)Cc1cccc(C(F)(F)F)c1 ZINC000584662547 943340620 /nfs/dbraw/zinc/34/06/20/943340620.db2.gz BUMFIDHJLRMZCR-AWEZNQCLSA-N 1 1 350.388 3.786 20 30 FHEDMO C=CCOc1ccc(C[N@H+](CC)CC(=O)Nc2c(F)cccc2F)cc1 ZINC000505708058 943510222 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ZINC000517316927 944205963 /nfs/dbraw/zinc/20/59/63/944205963.db2.gz SSUZXCBBQBESDX-HXUWFJFHSA-N 1 1 369.472 3.807 20 30 FHEDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000425518253 944219929 /nfs/dbraw/zinc/21/99/29/944219929.db2.gz YJSIXNSNQTYOPU-UHFFFAOYSA-N 1 1 357.841 3.684 20 30 FHEDMO CSc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425528937 944239165 /nfs/dbraw/zinc/23/91/65/944239165.db2.gz AAPMZVNBMBDCDL-QAPCUYQASA-N 1 1 356.491 3.713 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000425530701 944250258 /nfs/dbraw/zinc/25/02/58/944250258.db2.gz GAJZKJAMOFNSKO-LSDHHAIUSA-N 1 1 371.431 3.577 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000425530701 944250262 /nfs/dbraw/zinc/25/02/62/944250262.db2.gz GAJZKJAMOFNSKO-LSDHHAIUSA-N 1 1 371.431 3.577 20 30 FHEDMO N#CCCC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000515837844 944256824 /nfs/dbraw/zinc/25/68/24/944256824.db2.gz 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947492611 /nfs/dbraw/zinc/49/26/11/947492611.db2.gz AADXYLDZRPRBPJ-LVCYWYKZSA-N 1 1 369.509 3.985 20 30 FHEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000026113502 947652613 /nfs/dbraw/zinc/65/26/13/947652613.db2.gz SQZFAEAGRQNLNB-UHFFFAOYSA-N 1 1 363.461 3.547 20 30 FHEDMO C#Cc1ccc(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)cn1 ZINC000728861221 947798190 /nfs/dbraw/zinc/79/81/90/947798190.db2.gz IQORLYTZQCDGPB-UHFFFAOYSA-N 1 1 361.489 3.757 20 30 FHEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000066954411 947887234 /nfs/dbraw/zinc/88/72/34/947887234.db2.gz FVEUVAUOOUETJF-JKSUJKDBSA-N 1 1 360.527 3.933 20 30 FHEDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000278888710 948000543 /nfs/dbraw/zinc/00/05/43/948000543.db2.gz ONWWZTUFKJJNGP-OXJNMPFZSA-N 1 1 365.452 3.822 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)cs1 ZINC000549613786 948026741 /nfs/dbraw/zinc/02/67/41/948026741.db2.gz XVTYUXAXAFWQRI-GFCCVEGCSA-N 1 1 359.333 3.756 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000549613786 948026748 /nfs/dbraw/zinc/02/67/48/948026748.db2.gz XVTYUXAXAFWQRI-GFCCVEGCSA-N 1 1 359.333 3.756 20 30 FHEDMO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000180977631 948148650 /nfs/dbraw/zinc/14/86/50/948148650.db2.gz DQOAKZGYWWWJAY-ROUUACIJSA-N 1 1 371.525 3.718 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)cc1 ZINC000585717725 948232998 /nfs/dbraw/zinc/23/29/98/948232998.db2.gz WONMFDQSKFOWCZ-NRFANRHFSA-N 1 1 364.880 3.984 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000512031514 948239649 /nfs/dbraw/zinc/23/96/49/948239649.db2.gz PTGQMKKVKQQCIV-UHFFFAOYSA-N 1 1 354.406 3.692 20 30 FHEDMO C=CCN(C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H](C)COC ZINC000663581290 948247097 /nfs/dbraw/zinc/24/70/97/948247097.db2.gz JMBSFFHSQQMYBT-RTBURBONSA-N 1 1 373.541 3.794 20 30 FHEDMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(Br)c1 ZINC000323001648 948305004 /nfs/dbraw/zinc/30/50/04/948305004.db2.gz DAWTYKPLULZQLO-LBPRGKRZSA-N 1 1 373.250 3.958 20 30 FHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cscc1C#N ZINC000432396829 948326729 /nfs/dbraw/zinc/32/67/29/948326729.db2.gz FMINRIUOZGEGFT-HNNXBMFYSA-N 1 1 353.491 3.924 20 30 FHEDMO C=CCOc1ccc(C[NH+]2CCN(Cc3csc(CC)n3)CC2)cc1 ZINC000512072974 948358087 /nfs/dbraw/zinc/35/80/87/948358087.db2.gz PPOFXFGONGBDCN-UHFFFAOYSA-N 1 1 357.523 3.588 20 30 FHEDMO Cc1cc(F)cc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001143586729 948405085 /nfs/dbraw/zinc/40/50/85/948405085.db2.gz UMVATBNXTRCPMF-QFIPXVFZSA-N 1 1 363.436 3.635 20 30 FHEDMO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(=O)NC1(C#N)CCCCC1 ZINC000184471652 948585475 /nfs/dbraw/zinc/58/54/75/948585475.db2.gz MXOSIMQDZLZOJL-ZIAGYGMSSA-N 1 1 362.543 3.822 20 30 FHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000512169420 948622245 /nfs/dbraw/zinc/62/22/45/948622245.db2.gz OMAQSKZAYLTNJH-UHFFFAOYSA-N 1 1 369.417 3.883 20 30 FHEDMO C=CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512173181 948647609 /nfs/dbraw/zinc/64/76/09/948647609.db2.gz UHGKASAOARXZLI-FQEVSTJZSA-N 1 1 355.526 3.895 20 30 FHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(-n2ccnc2)cc1C ZINC000512179928 948681702 /nfs/dbraw/zinc/68/17/02/948681702.db2.gz NEWZIAZZFIOZLV-UHFFFAOYSA-N 1 1 351.450 3.844 20 30 FHEDMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H](C)CCC#N ZINC000602434721 567979901 /nfs/dbraw/zinc/97/99/01/567979901.db2.gz OQAWNEANOQMYSL-LBPRGKRZSA-N 1 1 352.276 3.568 20 30 FHEDMO Cc1cc(-c2noc([C@H](C)[NH2+][C@@H](C)CC3(C#N)CCOCC3)n2)ccc1F ZINC000602640953 568002986 /nfs/dbraw/zinc/00/29/86/568002986.db2.gz FDCHTPKNIRNZBW-GJZGRUSLSA-N 1 1 372.444 3.934 20 30 FHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000584662982 568024208 /nfs/dbraw/zinc/02/42/08/568024208.db2.gz QLAKOEIPICRTNJ-JOCHJYFZSA-N 1 1 361.489 3.522 20 30 FHEDMO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1nnc2n1CCC2 ZINC000066905485 568068401 /nfs/dbraw/zinc/06/84/01/568068401.db2.gz ZUONTGBHZJSEGL-INIZCTEOSA-N 1 1 373.460 3.526 20 30 FHEDMO CC[C@@H](C[N@H+](CC)CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000481749131 568108254 /nfs/dbraw/zinc/10/82/54/568108254.db2.gz WTMOSTFPVXQAIQ-IBGZPJMESA-N 1 1 370.518 3.848 20 30 FHEDMO CC[C@@H](C[N@@H+](CC)CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000481749131 568108255 /nfs/dbraw/zinc/10/82/55/568108255.db2.gz WTMOSTFPVXQAIQ-IBGZPJMESA-N 1 1 370.518 3.848 20 30 FHEDMO COC(=O)c1ccc(F)c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000181919846 568196458 /nfs/dbraw/zinc/19/64/58/568196458.db2.gz QSFGNFDLQJRGJJ-UHFFFAOYSA-N 1 1 368.408 3.527 20 30 FHEDMO COc1cccc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000015294506 568246670 /nfs/dbraw/zinc/24/66/70/568246670.db2.gz GNZFTQGODUVVBX-UHFFFAOYSA-N 1 1 365.477 3.691 20 30 FHEDMO COc1cccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000015294506 568246671 /nfs/dbraw/zinc/24/66/71/568246671.db2.gz GNZFTQGODUVVBX-UHFFFAOYSA-N 1 1 365.477 3.691 20 30 FHEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(OCc2ccccn2)c1 ZINC000568935678 568253860 /nfs/dbraw/zinc/25/38/60/568253860.db2.gz HYLVLLZPXYXKDQ-AWEZNQCLSA-N 1 1 350.447 3.840 20 30 FHEDMO COc1ccc(Br)c(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000568936306 568253915 /nfs/dbraw/zinc/25/39/15/568253915.db2.gz KRTYIHSVDSYTGC-UHFFFAOYSA-N 1 1 361.239 3.628 20 30 FHEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]2C ZINC000541948042 568271921 /nfs/dbraw/zinc/27/19/21/568271921.db2.gz DUGDLLKOEBUFOF-CVEARBPZSA-N 1 1 363.461 3.903 20 30 FHEDMO CC(C)C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604500733 568301710 /nfs/dbraw/zinc/30/17/10/568301710.db2.gz NKOWNXXUNLMSSM-NRFANRHFSA-N 1 1 352.478 3.651 20 30 FHEDMO C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000569392702 568400337 /nfs/dbraw/zinc/40/03/37/568400337.db2.gz WNAMIYNKEJRRCW-UHFFFAOYSA-N 1 1 369.468 3.973 20 30 FHEDMO C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000569392702 568400338 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FHEDMO N#Cc1c(F)ccc(CNC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1Cl ZINC000365402407 568620834 /nfs/dbraw/zinc/62/08/34/568620834.db2.gz BLYFUYNNUICFLV-INIZCTEOSA-N 1 1 372.875 3.748 20 30 FHEDMO N#Cc1c(F)ccc(CNC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1Cl ZINC000365402407 568620836 /nfs/dbraw/zinc/62/08/36/568620836.db2.gz BLYFUYNNUICFLV-INIZCTEOSA-N 1 1 372.875 3.748 20 30 FHEDMO CN(C(=O)NCCCCC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000365416311 568644463 /nfs/dbraw/zinc/64/44/63/568644463.db2.gz HTHOSNMVGNCIJO-YOFSQIOKSA-N 1 1 354.498 3.517 20 30 FHEDMO Cc1nnc(CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)s1 ZINC000328604425 571323897 /nfs/dbraw/zinc/32/38/97/571323897.db2.gz JRTCBHMRIJNJEA-VQIMIIECSA-N 1 1 356.495 3.605 20 30 FHEDMO CC(C)c1[nH+]c(C=CC(=O)c2ccc(-c3nn[nH]n3)cc2)c2ccccn21 ZINC000820203294 606693339 /nfs/dbraw/zinc/69/33/39/606693339.db2.gz RGKKYOWQWYJSFE-ZHACJKMWSA-N 1 1 358.405 3.534 20 30 FHEDMO N#Cc1cc(F)c(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164623836 719054285 /nfs/dbraw/zinc/05/42/85/719054285.db2.gz NDYMKTUOJZZDFI-MAUKXSAKSA-N 1 1 370.859 3.847 20 30 FHEDMO N#Cc1cc2c(nc1N1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC001164630166 719097083 /nfs/dbraw/zinc/09/70/83/719097083.db2.gz VSOUFTUUTPWOSC-UGKGYDQZSA-N 1 1 358.489 3.543 20 30 FHEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(C)c2C#N)CC3)cs1 ZINC001164691174 719804950 /nfs/dbraw/zinc/80/49/50/719804950.db2.gz FAJGWBGJMNKJNI-UHFFFAOYSA-N 1 1 367.522 3.662 20 30 FHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2sccc2C#N)cc1 ZINC000052035260 936342116 /nfs/dbraw/zinc/34/21/16/936342116.db2.gz GYYNJAZTIKYBJA-HNNXBMFYSA-N 1 1 353.491 3.924 20 30 FHEDMO C[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)[N@@H+]1CCc2ccccc2C1 ZINC000583034022 936382832 /nfs/dbraw/zinc/38/28/32/936382832.db2.gz MUSPPQSKGXWVLZ-CQSZACIVSA-N 1 1 353.853 3.791 20 30 FHEDMO C[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)[N@H+]1CCc2ccccc2C1 ZINC000583034022 936382837 /nfs/dbraw/zinc/38/28/37/936382837.db2.gz MUSPPQSKGXWVLZ-CQSZACIVSA-N 1 1 353.853 3.791 20 30 FHEDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1OCCCC#N ZINC000579726058 927206689 /nfs/dbraw/zinc/20/66/89/927206689.db2.gz WJQQPNLFDFFTJB-IEBWSBKVSA-N 1 1 360.498 3.893 20 30 FHEDMO C=CCn1c(SCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nnc1-c1ccncc1 ZINC000579733836 927239594 /nfs/dbraw/zinc/23/95/94/927239594.db2.gz QXKLUKAYEFZKII-IYBDPMFKSA-N 1 1 357.527 3.596 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)nc1 ZINC000430159500 927409688 /nfs/dbraw/zinc/40/96/88/927409688.db2.gz KPXFYOVVSZAHNM-CQSZACIVSA-N 1 1 365.330 3.764 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)nc1 ZINC000430159500 927409690 /nfs/dbraw/zinc/40/96/90/927409690.db2.gz KPXFYOVVSZAHNM-CQSZACIVSA-N 1 1 365.330 3.764 20 30 FHEDMO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(OC(F)F)cc1C ZINC000430161012 927458970 /nfs/dbraw/zinc/45/89/70/927458970.db2.gz BPEASGTWKPHZRD-QGZVFWFLSA-N 1 1 373.403 3.825 20 30 FHEDMO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C#N)cc1 ZINC000510057266 927508585 /nfs/dbraw/zinc/50/85/85/927508585.db2.gz SKNGXLOWJBSTNL-UHFFFAOYSA-N 1 1 366.852 3.934 20 30 FHEDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C#N)cc1 ZINC000510057266 927508593 /nfs/dbraw/zinc/50/85/93/927508593.db2.gz SKNGXLOWJBSTNL-UHFFFAOYSA-N 1 1 366.852 3.934 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)nc1 ZINC000430179573 927581843 /nfs/dbraw/zinc/58/18/43/927581843.db2.gz PDYREXHARAULBE-MRXNPFEDSA-N 1 1 365.330 3.764 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)nc1 ZINC000430179573 927581859 /nfs/dbraw/zinc/58/18/59/927581859.db2.gz PDYREXHARAULBE-MRXNPFEDSA-N 1 1 365.330 3.764 20 30 FHEDMO CCCCOc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430179061 927585519 /nfs/dbraw/zinc/58/55/19/927585519.db2.gz NIOXIODESKEICU-LJQANCHMSA-N 1 1 351.450 3.785 20 30 FHEDMO C=CCc1cc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc(OC)c1OC ZINC000471142791 927847602 /nfs/dbraw/zinc/84/76/02/927847602.db2.gz PXCBHWSXDDNTKF-UHFFFAOYSA-N 1 1 372.509 3.523 20 30 FHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000064800940 927905920 /nfs/dbraw/zinc/90/59/20/927905920.db2.gz CJEYWTILIRXUDF-CALCHBBNSA-N 1 1 373.566 3.664 20 30 FHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NCCc1cccs1)c1ccc(F)c(F)c1 ZINC000187775337 937213948 /nfs/dbraw/zinc/21/39/48/937213948.db2.gz PPYSQTMOJQYUQW-FZKQIMNGSA-N 1 1 364.461 3.981 20 30 FHEDMO Cc1cc(C)cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043274819 928070221 /nfs/dbraw/zinc/07/02/21/928070221.db2.gz IZNDQQVIZHEFIZ-UHFFFAOYSA-N 1 1 362.477 3.915 20 30 FHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000610216102 928170955 /nfs/dbraw/zinc/17/09/55/928170955.db2.gz LNOSCDVJGHDAHK-GGPKGHCWSA-N 1 1 353.510 3.843 20 30 FHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000610216104 928171567 /nfs/dbraw/zinc/17/15/67/928171567.db2.gz LNOSCDVJGHDAHK-QWFCFKBJSA-N 1 1 353.510 3.843 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCC3CCCCC3)CC2)cc1 ZINC000023451010 928646150 /nfs/dbraw/zinc/64/61/50/928646150.db2.gz QOBGEHFXKSISGV-UHFFFAOYSA-N 1 1 353.510 3.953 20 30 FHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179503215 928783109 /nfs/dbraw/zinc/78/31/09/928783109.db2.gz AZQILUJCBTYYMH-INIZCTEOSA-N 1 1 374.410 3.932 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000533443345 928894369 /nfs/dbraw/zinc/89/43/69/928894369.db2.gz SRPKOAIBBAOLET-UHFFFAOYSA-N 1 1 363.892 3.771 20 30 FHEDMO CS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000134555645 929032502 /nfs/dbraw/zinc/03/25/02/929032502.db2.gz FTGMCRUETBZFBA-OLZOCXBDSA-N 1 1 363.552 3.653 20 30 FHEDMO CS[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000134555645 929032512 /nfs/dbraw/zinc/03/25/12/929032512.db2.gz FTGMCRUETBZFBA-OLZOCXBDSA-N 1 1 363.552 3.653 20 30 FHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000134705874 929165492 /nfs/dbraw/zinc/16/54/92/929165492.db2.gz NOAORESKLWVRLH-SFHVURJKSA-N 1 1 359.473 3.520 20 30 FHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000134705874 929165498 /nfs/dbraw/zinc/16/54/98/929165498.db2.gz NOAORESKLWVRLH-SFHVURJKSA-N 1 1 359.473 3.520 20 30 FHEDMO C=CCOc1cccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000180002368 929299462 /nfs/dbraw/zinc/29/94/62/929299462.db2.gz QEAQOUTZWRJKFD-UHFFFAOYSA-N 1 1 368.452 3.739 20 30 FHEDMO C=CCOc1cccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000180002368 929299469 /nfs/dbraw/zinc/29/94/69/929299469.db2.gz QEAQOUTZWRJKFD-UHFFFAOYSA-N 1 1 368.452 3.739 20 30 FHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(CCC#N)CC1 ZINC000583319011 937343558 /nfs/dbraw/zinc/34/35/58/937343558.db2.gz UGHVLRZBNCUEBX-NRFANRHFSA-N 1 1 370.541 3.868 20 30 FHEDMO Cc1ccnc([C@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000579970031 929688257 /nfs/dbraw/zinc/68/82/57/929688257.db2.gz XKZZKVJEYPIPNF-OALUTQOASA-N 1 1 362.477 3.515 20 30 FHEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cn2)cc1OC ZINC000583330464 937352392 /nfs/dbraw/zinc/35/23/92/937352392.db2.gz ZZSTZBVBFPIWCO-FQEVSTJZSA-N 1 1 365.477 3.958 20 30 FHEDMO CCC#C[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001167313201 929704862 /nfs/dbraw/zinc/70/48/62/929704862.db2.gz FYGDMVRPWBUONC-CYBMUJFWSA-N 1 1 355.360 3.538 20 30 FHEDMO C[C@@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000610322091 929926190 /nfs/dbraw/zinc/92/61/90/929926190.db2.gz NGJTWOAGLIRXDE-UTKZUKDTSA-N 1 1 362.477 3.535 20 30 FHEDMO C[C@H]1CCC[C@@H](CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000134083935 929953805 /nfs/dbraw/zinc/95/38/05/929953805.db2.gz FAWXNKLKZBRTIH-GHTZIAJQSA-N 1 1 353.510 3.809 20 30 FHEDMO C[C@@H](O)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC001167333759 929959050 /nfs/dbraw/zinc/95/90/50/929959050.db2.gz ZLEHLAQXNFBKIQ-OAHLLOKOSA-N 1 1 355.400 3.952 20 30 FHEDMO COc1cccc(C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H]2CCCO2)c1 ZINC000135004748 929978284 /nfs/dbraw/zinc/97/82/84/929978284.db2.gz ZMHMQHZTKGLWTB-NRFANRHFSA-N 1 1 366.461 3.757 20 30 FHEDMO C[C@H](NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348942 930065229 /nfs/dbraw/zinc/06/52/29/930065229.db2.gz CZKBNIDURYDECO-FIKGOQFSSA-N 1 1 362.477 3.754 20 30 FHEDMO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000610351884 930090332 /nfs/dbraw/zinc/09/03/32/930090332.db2.gz NEMHXCKHRBXQGU-QZTJIDSGSA-N 1 1 362.477 3.535 20 30 FHEDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000610351884 930090342 /nfs/dbraw/zinc/09/03/42/930090342.db2.gz NEMHXCKHRBXQGU-QZTJIDSGSA-N 1 1 362.477 3.535 20 30 FHEDMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2cc(C#N)cs2)CC1 ZINC000177696815 930168049 /nfs/dbraw/zinc/16/80/49/930168049.db2.gz MQEVKRIIPCPDIL-HNNXBMFYSA-N 1 1 372.513 3.752 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](OCCC(C)C)C2)c1C ZINC000083247184 930194824 /nfs/dbraw/zinc/19/48/24/930194824.db2.gz HVZKPRMYLHVFDS-HXUWFJFHSA-N 1 1 371.525 3.687 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c1C ZINC000083247184 930194827 /nfs/dbraw/zinc/19/48/27/930194827.db2.gz HVZKPRMYLHVFDS-HXUWFJFHSA-N 1 1 371.525 3.687 20 30 FHEDMO CCC[C@@H]1CN(C(=O)c2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001266608898 930630588 /nfs/dbraw/zinc/63/05/88/930630588.db2.gz TWUZLZUXQJTVDG-LJQANCHMSA-N 1 1 365.452 3.824 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000580723150 931055639 /nfs/dbraw/zinc/05/56/39/931055639.db2.gz QSZXROKCHQXRED-AEFFLSMTSA-N 1 1 355.507 3.536 20 30 FHEDMO C[C@H](CCNC(=O)N[C@@H](C)c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000610461686 931149839 /nfs/dbraw/zinc/14/98/39/931149839.db2.gz CSXTYIRFOBNBKN-MSOLQXFVSA-N 1 1 364.493 3.829 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000077182376 931244243 /nfs/dbraw/zinc/24/42/43/931244243.db2.gz XTAHKJJXCSIRGD-GUYCJALGSA-N 1 1 355.404 3.580 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000077182376 931244251 /nfs/dbraw/zinc/24/42/51/931244251.db2.gz XTAHKJJXCSIRGD-GUYCJALGSA-N 1 1 355.404 3.580 20 30 FHEDMO Cc1ccccc1C[N@H+]1CCCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000077189425 931334638 /nfs/dbraw/zinc/33/46/38/931334638.db2.gz XGYIJPYZMMEIKR-UHFFFAOYSA-N 1 1 357.461 3.522 20 30 FHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN(CCC#N)Cc1ccccn1 ZINC000093100582 931709543 /nfs/dbraw/zinc/70/95/43/931709543.db2.gz SJOZNDXVLWHFSM-UHFFFAOYSA-N 1 1 350.510 3.955 20 30 FHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)c2snc(C)c2C#N)cc1 ZINC000891434885 932296956 /nfs/dbraw/zinc/29/69/56/932296956.db2.gz WEQBLMKRNFFBTP-UHFFFAOYSA-N 1 1 356.495 3.832 20 30 FHEDMO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178084089 932349788 /nfs/dbraw/zinc/34/97/88/932349788.db2.gz OFGGBYZHGAGNLV-GOSISDBHSA-N 1 1 371.550 3.562 20 30 FHEDMO C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133435 932361693 /nfs/dbraw/zinc/36/16/93/932361693.db2.gz UNNOOHVROJEPBX-SIKLNZKXSA-N 1 1 363.461 3.596 20 30 FHEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000477281264 932445422 /nfs/dbraw/zinc/44/54/22/932445422.db2.gz VMUGVYWFJFMZJC-MDNUFGMLSA-N 1 1 364.489 3.956 20 30 FHEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cccn1Cc1ccccc1C#N ZINC000187429784 932560438 /nfs/dbraw/zinc/56/04/38/932560438.db2.gz WQRPKJGROBKHCT-NRFANRHFSA-N 1 1 359.477 3.651 20 30 FHEDMO COc1cc(C#N)ccc1CNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000157957977 932705649 /nfs/dbraw/zinc/70/56/49/932705649.db2.gz FHXLMUFKWRDCML-CALCHBBNSA-N 1 1 365.477 3.788 20 30 FHEDMO COc1cc(C#N)ccc1CNc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000157957977 932705652 /nfs/dbraw/zinc/70/56/52/932705652.db2.gz FHXLMUFKWRDCML-CALCHBBNSA-N 1 1 365.477 3.788 20 30 FHEDMO CCCC[N@@H+](CC)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2C#N)c1 ZINC000471750583 932787627 /nfs/dbraw/zinc/78/76/27/932787627.db2.gz YJNWIXHMHBNLTQ-UHFFFAOYSA-N 1 1 367.453 3.517 20 30 FHEDMO Cc1cccc(OC[C@@H](O)C[N@H+](Cc2ccc(F)cc2C#N)C(C)C)c1 ZINC001167486971 932791974 /nfs/dbraw/zinc/79/19/74/932791974.db2.gz CTBYKSXAXPMWGI-FQEVSTJZSA-N 1 1 356.441 3.656 20 30 FHEDMO Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc(F)cc2C#N)C(C)C)c1 ZINC001167486971 932791980 /nfs/dbraw/zinc/79/19/80/932791980.db2.gz CTBYKSXAXPMWGI-FQEVSTJZSA-N 1 1 356.441 3.656 20 30 FHEDMO CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548287735 932832589 /nfs/dbraw/zinc/83/25/89/932832589.db2.gz KLNZWFRKYQXKBF-GOSISDBHSA-N 1 1 353.853 3.558 20 30 FHEDMO Cc1ccc2c(c1)nc(CNC1CC[NH+](Cc3ccc(C#N)cc3)CC1)n2C ZINC000187575591 933010037 /nfs/dbraw/zinc/01/00/37/933010037.db2.gz MMCBJJMRJBHVNV-UHFFFAOYSA-N 1 1 373.504 3.508 20 30 FHEDMO Cc1cc(Br)ccc1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933644654 933114881 /nfs/dbraw/zinc/11/48/81/933114881.db2.gz SDMRALZVNGAVNH-UHFFFAOYSA-N 1 1 350.256 3.595 20 30 FHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000430763233 933215763 /nfs/dbraw/zinc/21/57/63/933215763.db2.gz NLGNPAJDDOUZGB-JZXOWHBKSA-N 1 1 357.523 3.780 20 30 FHEDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000468110625 933222040 /nfs/dbraw/zinc/22/20/40/933222040.db2.gz QLXFVDXBSCMYKR-LLVKDONJSA-N 1 1 361.417 3.846 20 30 FHEDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000468110625 933222047 /nfs/dbraw/zinc/22/20/47/933222047.db2.gz QLXFVDXBSCMYKR-LLVKDONJSA-N 1 1 361.417 3.846 20 30 FHEDMO C[C@H]1C[C@@H](CCNC(=O)Nc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000510675421 933396967 /nfs/dbraw/zinc/39/69/67/933396967.db2.gz ONGGIQSCKJZMCF-FXAWDEMLSA-N 1 1 362.477 3.980 20 30 FHEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000610605344 933513060 /nfs/dbraw/zinc/51/30/60/933513060.db2.gz YUMMBBXOWBGKLB-IRLDBZIGSA-N 1 1 368.452 3.859 20 30 FHEDMO N#Cc1ccc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)c(OC(F)F)c1 ZINC000610614094 933536265 /nfs/dbraw/zinc/53/62/65/933536265.db2.gz VXNJSAFXCXVDFJ-GOSISDBHSA-N 1 1 368.387 3.887 20 30 FHEDMO COC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000610615614 933538691 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CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000127395658 933982748 /nfs/dbraw/zinc/98/27/48/933982748.db2.gz GCGULTDQBOSAOT-LJQANCHMSA-N 1 1 373.460 3.839 20 30 FHEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000127395658 933982758 /nfs/dbraw/zinc/98/27/58/933982758.db2.gz GCGULTDQBOSAOT-LJQANCHMSA-N 1 1 373.460 3.839 20 30 FHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000561764568 934078389 /nfs/dbraw/zinc/07/83/89/934078389.db2.gz DANLFCSXEABIDD-MRXNPFEDSA-N 1 1 367.497 3.757 20 30 FHEDMO CC(C)(CCC#N)C[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000092586965 934099429 /nfs/dbraw/zinc/09/94/29/934099429.db2.gz LHZYOEUUWVTWTA-UHFFFAOYSA-N 1 1 351.853 3.567 20 30 FHEDMO CCCO[C@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091068999 934153256 /nfs/dbraw/zinc/15/32/56/934153256.db2.gz CLHXIXSCBRCKAN-IBGZPJMESA-N 1 1 352.482 3.834 20 30 FHEDMO CCCO[C@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091068999 934153260 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C[NH+](C)CCCC1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181210737 941110846 /nfs/dbraw/zinc/11/08/46/941110846.db2.gz SIYHMZYGUJGRSD-UHFFFAOYSA-N 1 1 364.331 3.875 20 30 FHEDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181205520 941110830 /nfs/dbraw/zinc/11/08/30/941110830.db2.gz XJBBUHZGOCMGSK-OAHLLOKOSA-N 1 1 373.298 3.509 20 30 FHEDMO CCC[N@@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccc(C#N)cc1 ZINC000188962727 941134266 /nfs/dbraw/zinc/13/42/66/941134266.db2.gz AZEZWEIPDDNUTE-UHFFFAOYSA-N 1 1 361.489 3.745 20 30 FHEDMO N#CC1(CCC[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)CCOCC1 ZINC000376554355 941142374 /nfs/dbraw/zinc/14/23/74/941142374.db2.gz QENLBDLCMCVMMN-QGZVFWFLSA-N 1 1 358.486 3.965 20 30 FHEDMO N#CC1(CCC[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)CCOCC1 ZINC000376554355 941142375 /nfs/dbraw/zinc/14/23/75/941142375.db2.gz QENLBDLCMCVMMN-QGZVFWFLSA-N 1 1 358.486 3.965 20 30 FHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CC2(c3ccccc3)CC2)c(C#N)c1C ZINC000189298988 941155781 /nfs/dbraw/zinc/15/57/81/941155781.db2.gz 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C=CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)Cc1ccccc1 ZINC000027776572 941382319 /nfs/dbraw/zinc/38/23/19/941382319.db2.gz PJDWBUOUNRARDA-QGZVFWFLSA-N 1 1 368.477 3.569 20 30 FHEDMO C[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376928631 941468747 /nfs/dbraw/zinc/46/87/47/941468747.db2.gz CMVSDYLTVLNOKC-IEBWSBKVSA-N 1 1 356.514 3.526 20 30 FHEDMO CN(C(=O)NCC(C)(C)CCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000377045813 941503085 /nfs/dbraw/zinc/50/30/85/941503085.db2.gz UYOYSOAKFOCPQC-IBGZPJMESA-N 1 1 356.514 3.622 20 30 FHEDMO COc1ccc(CNc2[nH+]cccc2N2CCCC2)cc1OCCCC#N ZINC000377133897 941526768 /nfs/dbraw/zinc/52/67/68/941526768.db2.gz NTXOQLRBDUOEDL-UHFFFAOYSA-N 1 1 366.465 3.985 20 30 FHEDMO C[C@@H](NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000472680300 941553886 /nfs/dbraw/zinc/55/38/86/941553886.db2.gz YPUXRMFACDQOAY-QZTJIDSGSA-N 1 1 364.493 3.829 20 30 FHEDMO N#CCCn1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000377253168 941598065 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ZINC000509976869 943568904 /nfs/dbraw/zinc/56/89/04/943568904.db2.gz JCUDTVJKRINORJ-VQIMIIECSA-N 1 1 353.491 3.741 20 30 FHEDMO N#Cc1ccc(C2(C(=O)NC[C@H]3CCC[N@H+]3CC3CCCCC3)CC2)cc1 ZINC000473559278 943777732 /nfs/dbraw/zinc/77/77/32/943777732.db2.gz FHLUWPUJEGIJOZ-OAQYLSRUSA-N 1 1 365.521 3.751 20 30 FHEDMO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc(OC)c1 ZINC000437402165 943778780 /nfs/dbraw/zinc/77/87/80/943778780.db2.gz FNHRCHQJHKEEIE-UHFFFAOYSA-N 1 1 362.376 3.809 20 30 FHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc(OC)c1 ZINC000437402165 943778788 /nfs/dbraw/zinc/77/87/88/943778788.db2.gz FNHRCHQJHKEEIE-UHFFFAOYSA-N 1 1 362.376 3.809 20 30 FHEDMO CC(C)[N@@H+]1CC[C@@H](Nc2cc(C#N)ncn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000515298307 943782977 /nfs/dbraw/zinc/78/29/77/943782977.db2.gz JAEQHOZOUSUSRU-SJLPKXTDSA-N 1 1 359.836 3.777 20 30 FHEDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(C#N)ncn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000515298307 943782983 /nfs/dbraw/zinc/78/29/83/943782983.db2.gz 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C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCc3ccc(Br)cc32)C1=O ZINC000500000652 943925409 /nfs/dbraw/zinc/92/54/09/943925409.db2.gz XZKCAFQKABNCCV-IRXDYDNUSA-N 1 1 363.299 3.545 20 30 FHEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000437594139 943937385 /nfs/dbraw/zinc/93/73/85/943937385.db2.gz VPMFPMCDGHPVGY-HXUWFJFHSA-N 1 1 373.460 3.611 20 30 FHEDMO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cccc(OCCCC#N)c1 ZINC000517057269 943941075 /nfs/dbraw/zinc/94/10/75/943941075.db2.gz MPJNTGJHJHWTBB-UHFFFAOYSA-N 1 1 357.498 3.594 20 30 FHEDMO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cccc(OCCCC#N)c1 ZINC000517057269 943941083 /nfs/dbraw/zinc/94/10/83/943941083.db2.gz MPJNTGJHJHWTBB-UHFFFAOYSA-N 1 1 357.498 3.594 20 30 FHEDMO CCCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001270238473 943950696 /nfs/dbraw/zinc/95/06/96/943950696.db2.gz XLOQWBGQUHDXCE-UHFFFAOYSA-N 1 1 360.546 3.558 20 30 FHEDMO C=C[C@](C)(CCOC)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000437615810 943972426 /nfs/dbraw/zinc/97/24/26/943972426.db2.gz 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FHEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000543557121 944357255 /nfs/dbraw/zinc/35/72/55/944357255.db2.gz PCXYAPCGCCDTSU-GOSISDBHSA-N 1 1 374.529 3.606 20 30 FHEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](c4ccccc4F)C3)C2=O)cc1 ZINC000550211907 944435430 /nfs/dbraw/zinc/43/54/30/944435430.db2.gz PVFAWEVNXLOMKK-DYESRHJHSA-N 1 1 363.436 3.682 20 30 FHEDMO CCn1c2cc(F)ccc2[nH+]c1NCc1cccn1Cc1ccccc1C#N ZINC000438261324 944442850 /nfs/dbraw/zinc/44/28/50/944442850.db2.gz XTSIEVAJUQFQKF-UHFFFAOYSA-N 1 1 373.435 3.951 20 30 FHEDMO CN(C)c1cccnc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000516074126 944468114 /nfs/dbraw/zinc/46/81/14/944468114.db2.gz KFDDTMGJHWWBGL-UHFFFAOYSA-N 1 1 372.472 3.888 20 30 FHEDMO CC[C@](C)(O)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000439266424 944482961 /nfs/dbraw/zinc/48/29/61/944482961.db2.gz AZVWJYRSVYGDMG-QFIPXVFZSA-N 1 1 365.477 3.550 20 30 FHEDMO CC(C)C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCCc2cccnc21 ZINC000518534744 944485877 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FHEDMO CSCCC[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000439470681 944649184 /nfs/dbraw/zinc/64/91/84/944649184.db2.gz PWHZPCNUVWRMKB-AWEZNQCLSA-N 1 1 351.541 3.562 20 30 FHEDMO CSCCC[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000439470681 944649191 /nfs/dbraw/zinc/64/91/91/944649191.db2.gz PWHZPCNUVWRMKB-AWEZNQCLSA-N 1 1 351.541 3.562 20 30 FHEDMO C=CCc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc(OC)c1O ZINC000505892158 944743191 /nfs/dbraw/zinc/74/31/91/944743191.db2.gz XKLUYHJWGCUERJ-UHFFFAOYSA-N 1 1 356.441 3.591 20 30 FHEDMO N#Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000518805264 944786238 /nfs/dbraw/zinc/78/62/38/944786238.db2.gz AJJSPQKAUSMGDZ-HXUWFJFHSA-N 1 1 367.880 3.996 20 30 FHEDMO N#Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000518805264 944786241 /nfs/dbraw/zinc/78/62/41/944786241.db2.gz AJJSPQKAUSMGDZ-HXUWFJFHSA-N 1 1 367.880 3.996 20 30 FHEDMO N#CC1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCCC1 ZINC000518807246 944788031 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C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC000661381949 946049849 /nfs/dbraw/zinc/04/98/49/946049849.db2.gz QQHWPMMYCACNLP-ZDUSSCGKSA-N 1 1 352.862 3.584 20 30 FHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC000661381949 946049863 /nfs/dbraw/zinc/04/98/63/946049863.db2.gz QQHWPMMYCACNLP-ZDUSSCGKSA-N 1 1 352.862 3.584 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)C1 ZINC000444238175 946109878 /nfs/dbraw/zinc/10/98/78/946109878.db2.gz AEJCZFALRBMAFP-XLIONFOSSA-N 1 1 366.509 3.747 20 30 FHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccc(C)cc1C ZINC000520136007 946191626 /nfs/dbraw/zinc/19/16/26/946191626.db2.gz IMUKEGRFGBJFFG-HXUWFJFHSA-N 1 1 370.449 3.640 20 30 FHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccc(C)cc1C ZINC000520136007 946191631 /nfs/dbraw/zinc/19/16/31/946191631.db2.gz IMUKEGRFGBJFFG-HXUWFJFHSA-N 1 1 370.449 3.640 20 30 FHEDMO C=CC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(C#N)c1 ZINC000520137402 946196718 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C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000609548055 948346936 /nfs/dbraw/zinc/34/69/36/948346936.db2.gz QJYKAYDSBQPEBC-OAQYLSRUSA-N 1 1 363.461 3.754 20 30 FHEDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000609548055 948346940 /nfs/dbraw/zinc/34/69/40/948346940.db2.gz QJYKAYDSBQPEBC-OAQYLSRUSA-N 1 1 363.461 3.754 20 30 FHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C[C@H](C)O)C(C)C)c1C#N ZINC000107041502 948388314 /nfs/dbraw/zinc/38/83/14/948388314.db2.gz SJXANHZWEWSTAZ-HNNXBMFYSA-N 1 1 374.529 3.512 20 30 FHEDMO C=C(C)Cn1c(CCCC)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000549634490 948678088 /nfs/dbraw/zinc/67/80/88/948678088.db2.gz ONYRUSVFEXAJHU-IEBWSBKVSA-N 1 1 357.546 3.650 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccccc3OC(F)F)CC2)cc1 ZINC000025934044 948718110 /nfs/dbraw/zinc/71/81/10/948718110.db2.gz ACEUYTNSRLHOKC-UHFFFAOYSA-N 1 1 371.431 3.868 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536477121 948722377 /nfs/dbraw/zinc/72/23/77/948722377.db2.gz OOKMYZJRAABVAC-UHFFFAOYSA-N 1 1 373.500 3.995 20 30 FHEDMO C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(C#N)cc1Cl ZINC000366005432 567835867 /nfs/dbraw/zinc/83/58/67/567835867.db2.gz CVRYBWXJOVDKPY-TXDAXLQXSA-N 1 1 361.917 3.752 20 30 FHEDMO COc1cccc(Cl)c1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000181855394 567964594 /nfs/dbraw/zinc/96/45/94/567964594.db2.gz VTBUWIYBNNBDSM-UHFFFAOYSA-N 1 1 366.852 3.911 20 30 FHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000602599899 568000466 /nfs/dbraw/zinc/00/04/66/568000466.db2.gz TTWSELAJVCGHIN-WBVHZDCISA-N 1 1 357.502 3.658 20 30 FHEDMO C[C@@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)C[C@H](C)N1CC#N ZINC000602858097 568002917 /nfs/dbraw/zinc/00/29/17/568002917.db2.gz ZAGFEISAYNJIII-BGYRXZFFSA-N 1 1 363.505 3.711 20 30 FHEDMO C[N@@H+](CCCNC(=O)Nc1ncccc1OCCCC#N)C1CCCCC1 ZINC000188784663 568019457 /nfs/dbraw/zinc/01/94/57/568019457.db2.gz AOSSADKBXIBRQH-UHFFFAOYSA-N 1 1 373.501 3.540 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000568516987 568045797 /nfs/dbraw/zinc/04/57/97/568045797.db2.gz VRVALVYURKQULM-MRXNPFEDSA-N 1 1 351.362 3.532 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000568516987 568045798 /nfs/dbraw/zinc/04/57/98/568045798.db2.gz VRVALVYURKQULM-MRXNPFEDSA-N 1 1 351.362 3.532 20 30 FHEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000603557414 568116886 /nfs/dbraw/zinc/11/68/86/568116886.db2.gz RSYCWCGJJPYWRW-CTNGQTDRSA-N 1 1 370.880 3.983 20 30 FHEDMO CCCCc1oc2ccccc2c1C[N@H+](C)CC(=O)N(CC)CCC#N ZINC000603849168 568163730 /nfs/dbraw/zinc/16/37/30/568163730.db2.gz PMEHTHBVQUKPOS-UHFFFAOYSA-N 1 1 355.482 3.969 20 30 FHEDMO CCCCc1oc2ccccc2c1C[N@@H+](C)CC(=O)N(CC)CCC#N ZINC000603849168 568163731 /nfs/dbraw/zinc/16/37/31/568163731.db2.gz PMEHTHBVQUKPOS-UHFFFAOYSA-N 1 1 355.482 3.969 20 30 FHEDMO CN(C(=O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000604017670 568199423 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C[N@H+]1CC[C@H](Nc2ncc3c(c2C#N)CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000570039187 568442732 /nfs/dbraw/zinc/44/27/32/568442732.db2.gz BLJJOCIBJBGYRM-RBUKOAKNSA-N 1 1 354.404 3.577 20 30 FHEDMO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570005776 568449385 /nfs/dbraw/zinc/44/93/85/568449385.db2.gz WRMXJYORVZSQHM-HNNXBMFYSA-N 1 1 371.868 3.687 20 30 FHEDMO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570005776 568449387 /nfs/dbraw/zinc/44/93/87/568449387.db2.gz WRMXJYORVZSQHM-HNNXBMFYSA-N 1 1 371.868 3.687 20 30 FHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)c1 ZINC000277848753 571327724 /nfs/dbraw/zinc/32/77/24/571327724.db2.gz SPMXWMRYJMMOFK-GFCCVEGCSA-N 1 1 352.335 3.819 20 30 FHEDMO Cc1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(C#N)c1 ZINC001164993170 722193473 /nfs/dbraw/zinc/19/34/73/722193473.db2.gz CGGWFXCSCXMUCR-NRFANRHFSA-N 1 1 350.441 3.646 20 30 FHEDMO N#Cc1c(Cl)ccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994638 722196388 /nfs/dbraw/zinc/19/63/88/722196388.db2.gz ONXHYBMAOGCVIW-HXUWFJFHSA-N 1 1 370.859 3.991 20 30 FHEDMO Cc1ccc(OC2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000116882429 927245452 /nfs/dbraw/zinc/24/54/52/927245452.db2.gz DYJRVGUHDRDHAN-SFHVURJKSA-N 1 1 369.509 3.569 20 30 FHEDMO CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430156807 927403118 /nfs/dbraw/zinc/40/31/18/927403118.db2.gz BNFDDKNBJAMPMX-MRXNPFEDSA-N 1 1 357.841 3.659 20 30 FHEDMO CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430156807 927403125 /nfs/dbraw/zinc/40/31/25/927403125.db2.gz BNFDDKNBJAMPMX-MRXNPFEDSA-N 1 1 357.841 3.659 20 30 FHEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1 ZINC000430171507 927510955 /nfs/dbraw/zinc/51/09/55/927510955.db2.gz WFZXFVRVRHTQPE-LBTNJELSSA-N 1 1 351.416 3.739 20 30 FHEDMO C[C@H]1C[C@H](CCNC(=O)c2cc(C#N)cs2)C[N@H+]1Cc1ccccc1 ZINC000510085199 927971617 /nfs/dbraw/zinc/97/16/17/927971617.db2.gz LSAGRFCDRNDOEL-RDJZCZTQSA-N 1 1 353.491 3.650 20 30 FHEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178804924 937208320 /nfs/dbraw/zinc/20/83/20/937208320.db2.gz XFRSOVCGGZAENS-SJLPKXTDSA-N 1 1 369.513 3.595 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1ccccc1COC)c1ccc(F)c(F)c1 ZINC000187777890 937218585 /nfs/dbraw/zinc/21/85/85/937218585.db2.gz DRMOWDHUTZAHMT-OAQYLSRUSA-N 1 1 374.431 3.634 20 30 FHEDMO C[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@H]1c1ccccc1 ZINC000610216098 928171080 /nfs/dbraw/zinc/17/10/80/928171080.db2.gz LHALPJWTZJQHHI-AZUAARDMSA-N 1 1 353.510 3.797 20 30 FHEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC[C@H]1c1ccccc1 ZINC000610216773 928214424 /nfs/dbraw/zinc/21/44/24/928214424.db2.gz RVCLGTYAICZVRF-JMUQELJHSA-N 1 1 364.489 3.618 20 30 FHEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000471164116 928373520 /nfs/dbraw/zinc/37/35/20/928373520.db2.gz BZLCKGYWNFTDGT-FQEVSTJZSA-N 1 1 373.460 3.709 20 30 FHEDMO COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000157674557 928422739 /nfs/dbraw/zinc/42/27/39/928422739.db2.gz WDYWXKJRZYMMGL-LJQANCHMSA-N 1 1 365.458 3.781 20 30 FHEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H]2c2ccccc2)sc2c1CCC2 ZINC000471177858 928608569 /nfs/dbraw/zinc/60/85/69/928608569.db2.gz RYLGVMFWSGGHGG-KRWDZBQOSA-N 1 1 351.475 3.884 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000125012160 937276721 /nfs/dbraw/zinc/27/67/21/937276721.db2.gz VQOYKWNMXIBWNE-NUJGCVRESA-N 1 1 372.538 3.886 20 30 FHEDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000155104033 937284159 /nfs/dbraw/zinc/28/41/59/937284159.db2.gz RXLYEEORCZEJKG-MRXNPFEDSA-N 1 1 354.498 3.968 20 30 FHEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC001167100141 929376291 /nfs/dbraw/zinc/37/62/91/929376291.db2.gz FBVMYFQFGNLBHO-MRXNPFEDSA-N 1 1 361.367 3.606 20 30 FHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC001167100141 929376298 /nfs/dbraw/zinc/37/62/98/929376298.db2.gz FBVMYFQFGNLBHO-MRXNPFEDSA-N 1 1 361.367 3.606 20 30 FHEDMO CC(C)C[N@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000579966094 929643626 /nfs/dbraw/zinc/64/36/26/929643626.db2.gz MJDFKUALZPPNGI-UHFFFAOYSA-N 1 1 374.481 3.629 20 30 FHEDMO CC(C)C[N@@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000579966094 929643659 /nfs/dbraw/zinc/64/36/59/929643659.db2.gz MJDFKUALZPPNGI-UHFFFAOYSA-N 1 1 374.481 3.629 20 30 FHEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000547976132 929686672 /nfs/dbraw/zinc/68/66/72/929686672.db2.gz ZLZKHFDRYMIRMY-UHFFFAOYSA-N 1 1 355.869 3.982 20 30 FHEDMO N#Cc1c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cn2ccccc12 ZINC000175835077 929849945 /nfs/dbraw/zinc/84/99/45/929849945.db2.gz SZHQQOHFYDMWTR-APWZRJJASA-N 1 1 351.475 3.961 20 30 FHEDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC000580035342 930044806 /nfs/dbraw/zinc/04/48/06/930044806.db2.gz YKZJWHXJDUOXNH-AVRDEDQJSA-N 1 1 369.892 3.734 20 30 FHEDMO 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940122656 /nfs/dbraw/zinc/12/26/56/940122656.db2.gz FMXVSVOCBIRHCT-UHFFFAOYSA-N 1 1 352.482 3.667 20 30 FHEDMO N#CCC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000570078888 940129672 /nfs/dbraw/zinc/12/96/72/940129672.db2.gz BQWPAZYBGJKIIX-MRXNPFEDSA-N 1 1 352.265 3.724 20 30 FHEDMO C=CC[C@H](C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)c1ccccc1 ZINC000426590663 945299333 /nfs/dbraw/zinc/29/93/33/945299333.db2.gz HSJVGQRXSQRHNM-AZUAARDMSA-N 1 1 352.478 3.774 20 30 FHEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000612580047 940160308 /nfs/dbraw/zinc/16/03/08/940160308.db2.gz CGZKUGNHSJOSAS-UHFFFAOYSA-N 1 1 367.880 3.868 20 30 FHEDMO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000179986962 940193090 /nfs/dbraw/zinc/19/30/90/940193090.db2.gz QVJKPYKOJBCCNF-HTAPYJJXSA-N 1 1 372.472 3.921 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000179986962 940193093 /nfs/dbraw/zinc/19/30/93/940193093.db2.gz QVJKPYKOJBCCNF-HTAPYJJXSA-N 1 1 372.472 3.921 20 30 FHEDMO CC[C@](C)(C#N)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376074165 940273901 /nfs/dbraw/zinc/27/39/01/940273901.db2.gz LBSYFXGORJEUFO-GHTZIAJQSA-N 1 1 365.481 3.517 20 30 FHEDMO CC[C@@](C)(C#N)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376074167 940273949 /nfs/dbraw/zinc/27/39/49/940273949.db2.gz LBSYFXGORJEUFO-RXVVDRJESA-N 1 1 365.481 3.517 20 30 FHEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000580054392 940444523 /nfs/dbraw/zinc/44/45/23/940444523.db2.gz PDNZOFFLJKXCIJ-OAQYLSRUSA-N 1 1 366.509 3.596 20 30 FHEDMO CC(C)[N@H+]1CCc2nc(/C=C/c3nc4ccccc4n3CC#N)sc2C1 ZINC000414064796 940473194 /nfs/dbraw/zinc/47/31/94/940473194.db2.gz FEOBTKIPRIHACO-BQYQJAHWSA-N 1 1 363.490 3.953 20 30 FHEDMO CC(C)[N@H+]1CCc2nc(/C=C\c3nc4ccccc4n3CC#N)sc2C1 ZINC000414064801 940473285 /nfs/dbraw/zinc/47/32/85/940473285.db2.gz FEOBTKIPRIHACO-FPLPWBNLSA-N 1 1 363.490 3.953 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)cc1OC ZINC000511486480 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CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C(C)C)[C@@H](C)C1 ZINC000584511719 941018234 /nfs/dbraw/zinc/01/82/34/941018234.db2.gz KCPOOBLPGMWEDQ-LPHOPBHVSA-N 1 1 366.513 3.564 20 30 FHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](C4CC4)C3)sc2C1 ZINC000330129605 945369124 /nfs/dbraw/zinc/36/91/24/945369124.db2.gz KBLJXUALNDBWJZ-CXAGYDPISA-N 1 1 373.522 3.833 20 30 FHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H](C4CC4)C3)sc2C1 ZINC000330129605 945369137 /nfs/dbraw/zinc/36/91/37/945369137.db2.gz KBLJXUALNDBWJZ-CXAGYDPISA-N 1 1 373.522 3.833 20 30 FHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC(=O)Nc4ccc(C#N)cc4)C3)nc2c1 ZINC000181153174 941109248 /nfs/dbraw/zinc/10/92/48/941109248.db2.gz XDJXYCCPDZVYRQ-KRWDZBQOSA-N 1 1 373.460 3.561 20 30 FHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC(=O)Nc4ccc(C#N)cc4)C3)nc2c1 ZINC000181153174 941109249 /nfs/dbraw/zinc/10/92/49/941109249.db2.gz XDJXYCCPDZVYRQ-KRWDZBQOSA-N 1 1 373.460 3.561 20 30 FHEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CC(=O)Nc4ccc(C#N)cc4)C3)[nH]c2c1 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HQHYZGLFTOKXRF-PCCBWWKXSA-N 1 1 364.574 3.966 20 30 FHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cc(C)ccc1C ZINC000515246225 943594900 /nfs/dbraw/zinc/59/49/00/943594900.db2.gz QROXVJPOTUPIEA-OAQYLSRUSA-N 1 1 352.478 3.827 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000558098381 943722529 /nfs/dbraw/zinc/72/25/29/943722529.db2.gz KECJNYBNTFJLBR-DYVFJYSZSA-N 1 1 350.304 3.625 20 30 FHEDMO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@H+]1CCCC[C@@H]1C ZINC000435784541 943769778 /nfs/dbraw/zinc/76/97/78/943769778.db2.gz FRQUSGHZXPRUPP-ROUUACIJSA-N 1 1 366.509 3.938 20 30 FHEDMO N#CCCn1cc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c(-c2ccncc2)n1 ZINC000424200020 943784369 /nfs/dbraw/zinc/78/43/69/943784369.db2.gz QSAQDVHGJXODIV-TZIWHRDSSA-N 1 1 361.424 3.586 20 30 FHEDMO C=CCn1cc(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)nn1 ZINC000424291693 943822254 /nfs/dbraw/zinc/82/22/54/943822254.db2.gz FDEUKWORWPKHGP-INIZCTEOSA-N 1 1 369.469 3.894 20 30 FHEDMO C=CCn1cc(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)nn1 ZINC000424289817 943822285 /nfs/dbraw/zinc/82/22/85/943822285.db2.gz AJGFZFGLIZVEDF-OAHLLOKOSA-N 1 1 367.678 3.657 20 30 FHEDMO C=CCn1cc(C[NH2+][C@H]2CCCCc3ccc(Br)cc32)nn1 ZINC000424294744 943823050 /nfs/dbraw/zinc/82/30/50/943823050.db2.gz LKBZZYAVLWZHCD-KRWDZBQOSA-N 1 1 361.287 3.784 20 30 FHEDMO CC[N@H+](C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C)C[C@H](C)C#N ZINC000506055405 943836296 /nfs/dbraw/zinc/83/62/96/943836296.db2.gz DKMSBBHSHZGPQS-GDBMZVCRSA-N 1 1 352.906 3.993 20 30 FHEDMO CC[N@@H+](C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C)C[C@H](C)C#N ZINC000506055405 943836303 /nfs/dbraw/zinc/83/63/03/943836303.db2.gz DKMSBBHSHZGPQS-GDBMZVCRSA-N 1 1 352.906 3.993 20 30 FHEDMO C[C@@H]1C[C@@H](CCNc2nccc(C#N)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000511641560 943929515 /nfs/dbraw/zinc/92/95/15/943929515.db2.gz CFGNPFFXAJOARR-NVXWUHKLSA-N 1 1 365.437 3.574 20 30 FHEDMO C=CCCc1ccccc1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000505001184 943953928 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FHEDMO C=CCN1CC[C@@H]([N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)C1=O ZINC000500042512 943999326 /nfs/dbraw/zinc/99/93/26/943999326.db2.gz WYSJLUYBRMJIES-JOCHJYFZSA-N 1 1 373.500 3.605 20 30 FHEDMO C=CCC1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000424589273 944009364 /nfs/dbraw/zinc/00/93/64/944009364.db2.gz JOHDQQDCBXROFS-IBGZPJMESA-N 1 1 370.537 3.908 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000436142178 944052714 /nfs/dbraw/zinc/05/27/14/944052714.db2.gz PUJZWGYCLCGHEM-HNNXBMFYSA-N 1 1 351.450 3.764 20 30 FHEDMO C=CCC1(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000424701207 944076784 /nfs/dbraw/zinc/07/67/84/944076784.db2.gz DNPYUILRVWICQS-MRXNPFEDSA-N 1 1 353.466 3.731 20 30 FHEDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cc1OC ZINC000517238301 944133469 /nfs/dbraw/zinc/13/34/69/944133469.db2.gz AMVFGQGECOVHDA-CYBMUJFWSA-N 1 1 355.394 3.725 20 30 FHEDMO Cc1nn(C)c(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1Br ZINC000418144787 944207680 /nfs/dbraw/zinc/20/76/80/944207680.db2.gz LLEFWXDRUKZMOB-OAHLLOKOSA-N 1 1 359.271 3.530 20 30 FHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000500174760 944213088 /nfs/dbraw/zinc/21/30/88/944213088.db2.gz WBEXIISHAYSQAQ-WIYYLYMNSA-N 1 1 353.510 3.771 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000425530364 944251494 /nfs/dbraw/zinc/25/14/94/944251494.db2.gz FABSCEINDYGWDN-HNNXBMFYSA-N 1 1 353.491 3.588 20 30 FHEDMO Cc1cc2ncn(C[C@@H](O)C[N@H+](C)[C@H](C)c3cccc(C#N)c3)c2cc1C ZINC000425533060 944261838 /nfs/dbraw/zinc/26/18/38/944261838.db2.gz KCOGQXFJOWSEIK-XLIONFOSSA-N 1 1 362.477 3.579 20 30 FHEDMO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425542914 944287787 /nfs/dbraw/zinc/28/77/87/944287787.db2.gz YXFMJGGBZIYCCY-DLBZAZTESA-N 1 1 365.477 3.779 20 30 FHEDMO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425542914 944287793 /nfs/dbraw/zinc/28/77/93/944287793.db2.gz 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ZINC000192933686 944422481 /nfs/dbraw/zinc/42/24/81/944422481.db2.gz HEUKIYCZCZKDPT-JOCHJYFZSA-N 1 1 362.521 3.648 20 30 FHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506530297 944488431 /nfs/dbraw/zinc/48/84/31/944488431.db2.gz GFDKUHQNYWVUEV-CALCHBBNSA-N 1 1 371.500 3.603 20 30 FHEDMO C=CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H](C)COC ZINC000664841595 944492386 /nfs/dbraw/zinc/49/23/86/944492386.db2.gz RNEJSUFZVVNIBQ-AZUAARDMSA-N 1 1 373.541 3.520 20 30 FHEDMO C=CCOc1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)cc1Cl ZINC000425978747 944493738 /nfs/dbraw/zinc/49/37/38/944493738.db2.gz QNNFJZHKHVRWIP-UHFFFAOYSA-N 1 1 359.857 3.738 20 30 FHEDMO COc1ccc(C#N)cc1C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000438327147 944512664 /nfs/dbraw/zinc/51/26/64/944512664.db2.gz XAEFBIMCWBUQRO-OAQYLSRUSA-N 1 1 350.462 3.829 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439333321 944530672 /nfs/dbraw/zinc/53/06/72/944530672.db2.gz 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C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COc2ccccc2C#N)cc1 ZINC000053720526 944746176 /nfs/dbraw/zinc/74/61/76/944746176.db2.gz LSIHVZNJNMEGQT-QGZVFWFLSA-N 1 1 363.461 3.950 20 30 FHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000517890622 944798798 /nfs/dbraw/zinc/79/87/98/944798798.db2.gz ANOYUDXJTOLVDW-QGZVFWFLSA-N 1 1 364.449 3.875 20 30 FHEDMO C=C(C)Cn1c(CC)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000518852234 944865158 /nfs/dbraw/zinc/86/51/58/944865158.db2.gz GPCGSPFWWPQTAB-ZWKOTPCHSA-N 1 1 353.514 3.516 20 30 FHEDMO CCCCCCCCC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001270163251 944967697 /nfs/dbraw/zinc/96/76/97/944967697.db2.gz AGMPZOCPFHPPAO-NRFANRHFSA-N 1 1 360.546 3.975 20 30 FHEDMO N#Cc1cccc(Oc2ccc(NC(=O)NCC[N@@H+]3CC=CCC3)cc2)c1 ZINC000432063026 944971376 /nfs/dbraw/zinc/97/13/76/944971376.db2.gz ARQKNROFXLEKGK-UHFFFAOYSA-N 1 1 362.433 3.734 20 30 FHEDMO CCCOc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)ccc1OC ZINC000506342927 944981699 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CC1CCN(C(=O)C2CC[NH+](CC#Cc3ccccc3Cl)CC2)CC1 ZINC000441142808 946254922 /nfs/dbraw/zinc/25/49/22/946254922.db2.gz DCUHCLOFQFLVCQ-UHFFFAOYSA-N 1 1 358.913 3.662 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](C(C)C)C2)c1C#N ZINC000438492742 946256887 /nfs/dbraw/zinc/25/68/87/946256887.db2.gz PRMCXDMHQFGJEJ-KRWDZBQOSA-N 1 1 368.481 3.534 20 30 FHEDMO C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000520258245 946311109 /nfs/dbraw/zinc/31/11/09/946311109.db2.gz HNMXIJTYIZFIKX-ICSRJNTNSA-N 1 1 371.573 3.898 20 30 FHEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC000441210705 946321155 /nfs/dbraw/zinc/32/11/55/946321155.db2.gz QIGAZYKRWVWATF-KNQAVFIVSA-N 1 1 353.510 3.530 20 30 FHEDMO C[N@@H+](CC#Cc1ccccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000441265490 946371780 /nfs/dbraw/zinc/37/17/80/946371780.db2.gz SYAUWKZXGUSVFG-UHFFFAOYSA-N 1 1 366.892 3.928 20 30 FHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000896992942 946416737 /nfs/dbraw/zinc/41/67/37/946416737.db2.gz HFSNPCQNODOQHO-SOLBZPMBSA-N 1 1 373.497 3.570 20 30 FHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c(C#N)c1C ZINC000121364087 946425745 /nfs/dbraw/zinc/42/57/45/946425745.db2.gz WXCHDDUPIJHWAI-RHSMWYFYSA-N 1 1 369.440 3.799 20 30 FHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c(C#N)c1C ZINC000121364087 946425748 /nfs/dbraw/zinc/42/57/48/946425748.db2.gz WXCHDDUPIJHWAI-RHSMWYFYSA-N 1 1 369.440 3.799 20 30 FHEDMO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000441332192 946464250 /nfs/dbraw/zinc/46/42/50/946464250.db2.gz QLKFLQAJHGNLSG-FGZHOGPDSA-N 1 1 361.489 3.751 20 30 FHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441369139 946520881 /nfs/dbraw/zinc/52/08/81/946520881.db2.gz CRUNQRHRMIQMMV-FQEVSTJZSA-N 1 1 365.477 3.849 20 30 FHEDMO COCC(C)(C)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055422 946541917 /nfs/dbraw/zinc/54/19/17/946541917.db2.gz OSLZGMVMUSMNLQ-DTORHVGOSA-N 1 1 369.296 3.762 20 30 FHEDMO N#Cc1ccccc1COc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000066904954 946583324 /nfs/dbraw/zinc/58/33/24/946583324.db2.gz PYEOWVZVUUWVSP-UHFFFAOYSA-N 1 1 361.489 3.854 20 30 FHEDMO CCC[N@@H+](CCOc1ccccc1C#N)CC(=O)Nc1ccc(Cl)cc1 ZINC001167990322 946634520 /nfs/dbraw/zinc/63/45/20/946634520.db2.gz QQSUJKBHIGZIAK-UHFFFAOYSA-N 1 1 371.868 3.941 20 30 FHEDMO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000025866038 946744032 /nfs/dbraw/zinc/74/40/32/946744032.db2.gz MIZIVORAOAPHAH-SIKLNZKXSA-N 1 1 350.462 3.502 20 30 FHEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)c(OC)c1 ZINC000282013517 946815471 /nfs/dbraw/zinc/81/54/71/946815471.db2.gz OPPQYLROQDAPAJ-IBGZPJMESA-N 1 1 358.482 3.941 20 30 FHEDMO N#CC1(CCC[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CCOCC1 ZINC000282014071 946832314 /nfs/dbraw/zinc/83/23/14/946832314.db2.gz OQDXJAODBINPIO-VQTJNVASSA-N 1 1 360.473 3.814 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000895018974 946885200 /nfs/dbraw/zinc/88/52/00/946885200.db2.gz WBCWRFXIUKWFRQ-CQSZACIVSA-N 1 1 367.453 3.888 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000895018974 946885211 /nfs/dbraw/zinc/88/52/11/946885211.db2.gz WBCWRFXIUKWFRQ-CQSZACIVSA-N 1 1 367.453 3.888 20 30 FHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000550391425 946900020 /nfs/dbraw/zinc/90/00/20/946900020.db2.gz SWMROONBAMSFNH-KBXCAEBGSA-N 1 1 369.852 3.692 20 30 FHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000550391425 946900031 /nfs/dbraw/zinc/90/00/31/946900031.db2.gz SWMROONBAMSFNH-KBXCAEBGSA-N 1 1 369.852 3.692 20 30 FHEDMO CCc1cnc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000328607622 946955370 /nfs/dbraw/zinc/95/53/70/946955370.db2.gz LHOBALHZPXNRES-OAHLLOKOSA-N 1 1 350.532 3.506 20 30 FHEDMO Cc1ccc(CNC(=O)CN2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000328648576 946965203 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C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000610317783 929879638 /nfs/dbraw/zinc/87/96/38/929879638.db2.gz XUOJQIXNHKZHLP-SFHVURJKSA-N 1 1 368.868 3.950 20 30 FHEDMO C[C@@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000610322089 929926056 /nfs/dbraw/zinc/92/60/56/929926056.db2.gz NGJTWOAGLIRXDE-DYESRHJHSA-N 1 1 362.477 3.535 20 30 FHEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC001167337413 929992529 /nfs/dbraw/zinc/99/25/29/929992529.db2.gz RCNITDRFAKBVSJ-JOCHJYFZSA-N 1 1 364.489 3.785 20 30 FHEDMO O[C@H]([C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1)C(F)(F)F ZINC000580034363 930015187 /nfs/dbraw/zinc/01/51/87/930015187.db2.gz LFFMYUJRSAZVSE-ZWNOBZJWSA-N 1 1 359.285 3.980 20 30 FHEDMO O[C@H]([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1)C(F)(F)F ZINC000580034363 930015191 /nfs/dbraw/zinc/01/51/91/930015191.db2.gz LFFMYUJRSAZVSE-ZWNOBZJWSA-N 1 1 359.285 3.980 20 30 FHEDMO Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1[N+](=O)[O-] ZINC000580128811 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COC(=O)c1ccc(OCC[N@@H+](CCC#N)CCC(C)C)c(Cl)c1 ZINC001167558033 935456421 /nfs/dbraw/zinc/45/64/21/935456421.db2.gz CWDBTNSHKICKEW-UHFFFAOYSA-N 1 1 352.862 3.767 20 30 FHEDMO C=CCCn1cc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3)s2)nn1 ZINC000657383558 935480615 /nfs/dbraw/zinc/48/06/15/935480615.db2.gz KFYIETZZVSMKQY-UHFFFAOYSA-N 1 1 354.479 3.881 20 30 FHEDMO CC[C@H](c1ccccc1)[N@H+](CC)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478418891 935624413 /nfs/dbraw/zinc/62/44/13/935624413.db2.gz SFMXTXTUACAFPU-HXUWFJFHSA-N 1 1 356.491 3.805 20 30 FHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478418891 935624415 /nfs/dbraw/zinc/62/44/15/935624415.db2.gz SFMXTXTUACAFPU-HXUWFJFHSA-N 1 1 356.491 3.805 20 30 FHEDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)[C@@H]2C1 ZINC000158264510 935665443 /nfs/dbraw/zinc/66/54/43/935665443.db2.gz HCXORHKYDYQSMU-MZYLBHOOSA-N 1 1 362.473 3.994 20 30 FHEDMO Cc1csc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C#N ZINC000563353856 935691663 /nfs/dbraw/zinc/69/16/63/935691663.db2.gz AHYINHXJPKZUFH-CALCHBBNSA-N 1 1 366.490 3.524 20 30 FHEDMO C=C(C)Cn1c(CC)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000582520210 935795069 /nfs/dbraw/zinc/79/50/69/935795069.db2.gz RGOVBYPDMZKLHI-AZUAARDMSA-N 1 1 367.541 3.906 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000187763892 935808911 /nfs/dbraw/zinc/80/89/11/935808911.db2.gz VVTHSYDFBSNHHQ-HXUWFJFHSA-N 1 1 374.387 3.582 20 30 FHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2c1 ZINC000127818527 935817159 /nfs/dbraw/zinc/81/71/59/935817159.db2.gz DOYVZEFESZTGNP-MRXNPFEDSA-N 1 1 357.417 3.727 20 30 FHEDMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472250268 936017248 /nfs/dbraw/zinc/01/72/48/936017248.db2.gz UFFWVWVVSGLSEK-AWEZNQCLSA-N 1 1 356.470 3.677 20 30 FHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528559 936099093 /nfs/dbraw/zinc/09/90/93/936099093.db2.gz QLGJTJXLBMTLGL-ZDUSSCGKSA-N 1 1 352.825 3.542 20 30 FHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528559 936099097 /nfs/dbraw/zinc/09/90/97/936099097.db2.gz QLGJTJXLBMTLGL-ZDUSSCGKSA-N 1 1 352.825 3.542 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528598 936100493 /nfs/dbraw/zinc/10/04/93/936100493.db2.gz GSKOANQSXPOPRH-CYBMUJFWSA-N 1 1 359.376 3.619 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528598 936100496 /nfs/dbraw/zinc/10/04/96/936100496.db2.gz GSKOANQSXPOPRH-CYBMUJFWSA-N 1 1 359.376 3.619 20 30 FHEDMO CC[C@H](C#N)Sc1nnc([C@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1 ZINC000127000401 938250324 /nfs/dbraw/zinc/25/03/24/938250324.db2.gz CPKFWAIKDHEXHD-CVEARBPZSA-N 1 1 359.499 3.683 20 30 FHEDMO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)OCC ZINC000511804309 945160980 /nfs/dbraw/zinc/16/09/80/945160980.db2.gz CTKOYPGOKDZTDG-VQTJNVASSA-N 1 1 358.526 3.775 20 30 FHEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000161732373 938272580 /nfs/dbraw/zinc/27/25/80/938272580.db2.gz SOSHOHWPPCZUBM-MRXNPFEDSA-N 1 1 369.440 3.966 20 30 FHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000329221894 938293258 /nfs/dbraw/zinc/29/32/58/938293258.db2.gz VLOBDWJTGNDHSG-HKUYNNGSSA-N 1 1 372.513 3.775 20 30 FHEDMO C#CCCCCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245581631 938305705 /nfs/dbraw/zinc/30/57/05/938305705.db2.gz HPBYRWGMNBSOMY-DNVCBOLYSA-N 1 1 350.865 3.782 20 30 FHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC000329261888 938308037 /nfs/dbraw/zinc/30/80/37/938308037.db2.gz ZGMGNDQCRAUWGU-SOLBZPMBSA-N 1 1 361.534 3.607 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000245696822 938311434 /nfs/dbraw/zinc/31/14/34/938311434.db2.gz BDWZIRQQVOUJLW-OWCLPIDISA-N 1 1 358.511 3.639 20 30 FHEDMO N#Cc1ccc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000052473593 938321966 /nfs/dbraw/zinc/32/19/66/938321966.db2.gz 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FHEDMO Cc1oc(NC(=O)C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c(C#N)c1C ZINC000246764744 938400381 /nfs/dbraw/zinc/40/03/81/938400381.db2.gz NGLWFJBNYHMSAD-MLGOLLRUSA-N 1 1 355.413 3.724 20 30 FHEDMO C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000052580872 938407614 /nfs/dbraw/zinc/40/76/14/938407614.db2.gz WOEMEVCAUHSPLT-UHFFFAOYSA-N 1 1 367.468 3.956 20 30 FHEDMO C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000052580872 938407615 /nfs/dbraw/zinc/40/76/15/938407615.db2.gz WOEMEVCAUHSPLT-UHFFFAOYSA-N 1 1 367.468 3.956 20 30 FHEDMO C=C(C)[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000458677461 938415756 /nfs/dbraw/zinc/41/57/56/938415756.db2.gz PSOSTJFOUZKQBJ-YJBOKZPZSA-N 1 1 351.441 3.706 20 30 FHEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000425758375 945174398 /nfs/dbraw/zinc/17/43/98/945174398.db2.gz JHIQYTGUKCSKIQ-FXAWDEMLSA-N 1 1 356.514 3.800 20 30 FHEDMO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 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FHEDMO N#CCCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000544071747 938994139 /nfs/dbraw/zinc/99/41/39/938994139.db2.gz VUTBFAYBYIALSM-QGZVFWFLSA-N 1 1 372.812 3.821 20 30 FHEDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000363836539 939010324 /nfs/dbraw/zinc/01/03/24/939010324.db2.gz UTTAWPGHUMASTE-SJKOYZFVSA-N 1 1 368.824 3.646 20 30 FHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472355637 939020057 /nfs/dbraw/zinc/02/00/57/939020057.db2.gz YIZNSMYMRBNWQX-NSHGMRRFSA-N 1 1 353.510 3.671 20 30 FHEDMO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(CC#N)cc1 ZINC000612058848 939027284 /nfs/dbraw/zinc/02/72/84/939027284.db2.gz KIXNVBUNKAJWBW-UHFFFAOYSA-N 1 1 372.266 3.586 20 30 FHEDMO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(CC#N)cc1 ZINC000612058848 939027287 /nfs/dbraw/zinc/02/72/87/939027287.db2.gz KIXNVBUNKAJWBW-UHFFFAOYSA-N 1 1 372.266 3.586 20 30 FHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179410758 939147562 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373.504 3.596 20 30 FHEDMO N#Cc1ccc(OC2CCC([NH2+]Cc3c[nH]c(-c4ccccc4)n3)CC2)nc1 ZINC000179562288 939888224 /nfs/dbraw/zinc/88/82/24/939888224.db2.gz BJCXZJZDXAYOOP-UHFFFAOYSA-N 1 1 373.460 3.823 20 30 FHEDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000167040356 939911392 /nfs/dbraw/zinc/91/13/92/939911392.db2.gz SQSKFLDACOCIEY-DNVCBOLYSA-N 1 1 350.422 3.931 20 30 FHEDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000179738206 939928465 /nfs/dbraw/zinc/92/84/65/939928465.db2.gz ZMWKCBDVFUUATA-SFHVURJKSA-N 1 1 373.497 3.716 20 30 FHEDMO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364580786 939966763 /nfs/dbraw/zinc/96/67/63/939966763.db2.gz NSMAYARUMPXZDM-CABCVRRESA-N 1 1 358.449 3.958 20 30 FHEDMO C=CCC(CC=C)C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000472412568 939979909 /nfs/dbraw/zinc/97/99/09/939979909.db2.gz MSSCJMNJZHDRKS-SFTDATJTSA-N 1 1 356.510 3.551 20 30 FHEDMO C=CCC(CC=C)C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000472412568 939979912 /nfs/dbraw/zinc/97/99/12/939979912.db2.gz MSSCJMNJZHDRKS-SFTDATJTSA-N 1 1 356.510 3.551 20 30 FHEDMO N#Cc1ccc(CN2CCC([NH2+][C@@H]3COc4cc(F)cc(F)c43)CC2)cc1 ZINC000612403955 940049318 /nfs/dbraw/zinc/04/93/18/940049318.db2.gz DSQFYPGRNDMVDM-LJQANCHMSA-N 1 1 369.415 3.524 20 30 FHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000179948719 940160299 /nfs/dbraw/zinc/16/02/99/940160299.db2.gz PFQZBHDWVTUASB-LLVKDONJSA-N 1 1 361.804 3.649 20 30 FHEDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000179948706 940160432 /nfs/dbraw/zinc/16/04/32/940160432.db2.gz PFQZBHDWVTUASB-NSHDSACASA-N 1 1 361.804 3.649 20 30 FHEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000413835872 940173908 /nfs/dbraw/zinc/17/39/08/940173908.db2.gz OGWVPKUJXOSVRQ-QUCCMNQESA-N 1 1 355.526 3.690 20 30 FHEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cn3ccccc3c2C#N)CC1 ZINC000548944528 940174736 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1 1 350.393 3.773 20 30 FHEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(C#N)c(F)c1 ZINC000421356831 942505715 /nfs/dbraw/zinc/50/57/15/942505715.db2.gz MCVZHKDIAXQPLH-HXUWFJFHSA-N 1 1 352.457 3.579 20 30 FHEDMO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502513166 942506604 /nfs/dbraw/zinc/50/66/04/942506604.db2.gz VZXZOLHXEHEDQY-GOSISDBHSA-N 1 1 359.473 3.661 20 30 FHEDMO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502513166 942506612 /nfs/dbraw/zinc/50/66/12/942506612.db2.gz VZXZOLHXEHEDQY-GOSISDBHSA-N 1 1 359.473 3.661 20 30 FHEDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000421359655 942511431 /nfs/dbraw/zinc/51/14/31/942511431.db2.gz GOFUBUPJLSBVHW-PKOBYXMFSA-N 1 1 350.462 3.588 20 30 FHEDMO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000513962536 942644344 /nfs/dbraw/zinc/64/43/44/942644344.db2.gz ZKPPNLYONNFDAP-MGPUTAFESA-N 1 1 374.431 3.523 20 30 FHEDMO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000513962536 942644348 /nfs/dbraw/zinc/64/43/48/942644348.db2.gz ZKPPNLYONNFDAP-MGPUTAFESA-N 1 1 374.431 3.523 20 30 FHEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C#N)c(C#N)c2C)cc1)C1CC1 ZINC000421563562 942648682 /nfs/dbraw/zinc/64/86/82/942648682.db2.gz XMMAZBSKRYEZIE-UHFFFAOYSA-N 1 1 358.445 3.975 20 30 FHEDMO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000434419185 942662744 /nfs/dbraw/zinc/66/27/44/942662744.db2.gz JMPOKFAKXFMAPC-GOSISDBHSA-N 1 1 353.491 3.980 20 30 FHEDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000434419185 942662747 /nfs/dbraw/zinc/66/27/47/942662747.db2.gz JMPOKFAKXFMAPC-GOSISDBHSA-N 1 1 353.491 3.980 20 30 FHEDMO Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cn2cc[nH+]c12 ZINC000502798328 942750766 /nfs/dbraw/zinc/75/07/66/942750766.db2.gz JAILIIWGWNRNLU-UHFFFAOYSA-N 1 1 369.384 3.954 20 30 FHEDMO C=CCCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001269810111 942763312 /nfs/dbraw/zinc/76/33/12/942763312.db2.gz QNYATKSITFQIDU-BGYRXZFFSA-N 1 1 358.530 3.892 20 30 FHEDMO C=CCCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001269810111 942763318 /nfs/dbraw/zinc/76/33/18/942763318.db2.gz QNYATKSITFQIDU-BGYRXZFFSA-N 1 1 358.530 3.892 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1Cl ZINC000414552940 942828687 /nfs/dbraw/zinc/82/86/87/942828687.db2.gz QXVSKCPTADLTIR-KRWDZBQOSA-N 1 1 362.901 3.882 20 30 FHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000434659571 942843491 /nfs/dbraw/zinc/84/34/91/942843491.db2.gz ROJIVPKKQSEODF-HXUWFJFHSA-N 1 1 351.425 3.733 20 30 FHEDMO C[N@@H+](CCCCc1ccccc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434660598 942844772 /nfs/dbraw/zinc/84/47/72/942844772.db2.gz AIJSHWHSAWQTQX-GOSISDBHSA-N 1 1 353.491 3.680 20 30 FHEDMO CCc1ccc(C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)cc1 ZINC000434693596 942868125 /nfs/dbraw/zinc/86/81/25/942868125.db2.gz NLJHJZZAULUVJL-UHFFFAOYSA-N 1 1 351.450 3.934 20 30 FHEDMO CCc1ccc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)cc1 ZINC000434693596 942868128 /nfs/dbraw/zinc/86/81/28/942868128.db2.gz NLJHJZZAULUVJL-UHFFFAOYSA-N 1 1 351.450 3.934 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCSC(C)(C)CC1 ZINC000434712832 942875635 /nfs/dbraw/zinc/87/56/35/942875635.db2.gz DSRMJAOVEPCZPE-OAHLLOKOSA-N 1 1 363.502 3.678 20 30 FHEDMO N#Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000425203152 942987707 /nfs/dbraw/zinc/98/77/07/942987707.db2.gz DOVPRXDTCPNNSK-UHFFFAOYSA-N 1 1 372.375 3.821 20 30 FHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000434835014 942991754 /nfs/dbraw/zinc/99/17/54/942991754.db2.gz XVZFEUWYKHYEAG-UHFFFAOYSA-N 1 1 353.422 3.572 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000434835014 942991755 /nfs/dbraw/zinc/99/17/55/942991755.db2.gz XVZFEUWYKHYEAG-UHFFFAOYSA-N 1 1 353.422 3.572 20 30 FHEDMO C=CCc1cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)cc(OC)c1O ZINC000378651707 943001279 /nfs/dbraw/zinc/00/12/79/943001279.db2.gz SIUNCRNESLZOCT-OAQYLSRUSA-N 1 1 363.461 3.742 20 30 FHEDMO C[C@H]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000434848284 943004296 /nfs/dbraw/zinc/00/42/96/943004296.db2.gz JDQPXRQQNWMQAI-IBGZPJMESA-N 1 1 373.500 3.713 20 30 FHEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000434904017 943041390 /nfs/dbraw/zinc/04/13/90/943041390.db2.gz MAYMYUBMTCAPRY-FQEVSTJZSA-N 1 1 368.864 3.741 20 30 FHEDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C2CC2)cc1 ZINC000505570562 943049102 /nfs/dbraw/zinc/04/91/02/943049102.db2.gz MEZRHESEUFWAOH-INIZCTEOSA-N 1 1 363.461 3.806 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000272054536 943088750 /nfs/dbraw/zinc/08/87/50/943088750.db2.gz YMFMVPONRUREHA-AVRDEDQJSA-N 1 1 373.500 3.882 20 30 FHEDMO C[NH+](C)[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccccc1Cl ZINC000435038244 943105087 /nfs/dbraw/zinc/10/50/87/943105087.db2.gz QGHXRYCBZMPAPF-IBGZPJMESA-N 1 1 367.880 3.662 20 30 FHEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC(CCC#N)CC2)CCC1 ZINC000514598459 943137783 /nfs/dbraw/zinc/13/77/83/943137783.db2.gz AXSXABSETRFBDN-UHFFFAOYSA-N 1 1 368.525 3.766 20 30 FHEDMO C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@H+](C2CC2)C1 ZINC000458846621 943221931 /nfs/dbraw/zinc/22/19/31/943221931.db2.gz RCJUGQXTBOARAB-FXAWDEMLSA-N 1 1 354.498 3.547 20 30 FHEDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000366624818 943245454 /nfs/dbraw/zinc/24/54/54/943245454.db2.gz ABCGEIDOKIHDTO-FXAWDEMLSA-N 1 1 354.498 3.690 20 30 FHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000549961033 943257185 /nfs/dbraw/zinc/25/71/85/943257185.db2.gz SMHKCFJKUOQGMF-FDDCHVKYSA-N 1 1 361.489 3.642 20 30 FHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000549961033 943257189 /nfs/dbraw/zinc/25/71/89/943257189.db2.gz SMHKCFJKUOQGMF-FDDCHVKYSA-N 1 1 361.489 3.642 20 30 FHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000549961034 943257278 /nfs/dbraw/zinc/25/72/78/943257278.db2.gz SMHKCFJKUOQGMF-WZONZLPQSA-N 1 1 361.489 3.642 20 30 FHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000549961034 943257288 /nfs/dbraw/zinc/25/72/88/943257288.db2.gz SMHKCFJKUOQGMF-WZONZLPQSA-N 1 1 361.489 3.642 20 30 FHEDMO C[C@H]1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000435263193 943288877 /nfs/dbraw/zinc/28/88/77/943288877.db2.gz OUZCFIRQHABINU-AVRDEDQJSA-N 1 1 373.500 3.759 20 30 FHEDMO Cc1cc(F)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(F)c1 ZINC000425331076 943315772 /nfs/dbraw/zinc/31/57/72/943315772.db2.gz WSPVJYWGQQIYCZ-UHFFFAOYSA-N 1 1 369.415 3.996 20 30 FHEDMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425366051 943376277 /nfs/dbraw/zinc/37/62/77/943376277.db2.gz OHHFDLNGKZAGCA-HZPDHXFCSA-N 1 1 352.434 3.692 20 30 FHEDMO CC(C)[N@H+]1CCc2nc(CN(C)[C@H](C)c3cccc(C#N)c3)sc2C1 ZINC000425368691 943380166 /nfs/dbraw/zinc/38/01/66/943380166.db2.gz XNACQHGAOZTJDA-OAHLLOKOSA-N 1 1 354.523 3.974 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613733008 943412848 /nfs/dbraw/zinc/41/28/48/943412848.db2.gz JQDMQYXEQXNYJR-PKOBYXMFSA-N 1 1 351.494 3.936 20 30 FHEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(OCCCC#N)c1 ZINC000514972096 943425896 /nfs/dbraw/zinc/42/58/96/943425896.db2.gz FZPUEFXRIRFXHU-UHFFFAOYSA-N 1 1 353.422 3.952 20 30 FHEDMO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)c1C#N ZINC000515015779 943458721 /nfs/dbraw/zinc/45/87/21/943458721.db2.gz YBWOAQVDXNSYQI-UHFFFAOYSA-N 1 1 363.509 3.580 20 30 FHEDMO C=C(C(=O)N1CCC2(CC[N@H+](CCCC(F)(F)F)C2)CC1)C(F)(F)F ZINC001270007813 943583220 /nfs/dbraw/zinc/58/32/20/943583220.db2.gz FEMWBOMDPDUOKY-UHFFFAOYSA-N 1 1 372.353 3.762 20 30 FHEDMO C=C(C(=O)N1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1)C(F)(F)F ZINC001270008107 943596735 /nfs/dbraw/zinc/59/67/35/943596735.db2.gz KXJFYGSZUYOKQF-AWEZNQCLSA-N 1 1 372.353 3.762 20 30 FHEDMO N#Cc1c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cn2ccccc12 ZINC000511628987 943619772 /nfs/dbraw/zinc/61/97/72/943619772.db2.gz ZLUARLIMQRDJMR-XPNTWCBSSA-N 1 1 357.457 3.815 20 30 FHEDMO CCC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000183975623 943648660 /nfs/dbraw/zinc/64/86/60/943648660.db2.gz NGGIKMZGPQQDHT-UHFFFAOYSA-N 1 1 353.510 3.953 20 30 FHEDMO CCC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000183975623 943648661 /nfs/dbraw/zinc/64/86/61/943648661.db2.gz NGGIKMZGPQQDHT-UHFFFAOYSA-N 1 1 353.510 3.953 20 30 FHEDMO CN1CCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)[C@@H](c2ccccc2)C1 ZINC000584810998 943650144 /nfs/dbraw/zinc/65/01/44/943650144.db2.gz XKLBDRSHMOZIMJ-BJKOFHAPSA-N 1 1 374.532 3.514 20 30 FHEDMO C=CCn1cc(C[NH2+][C@H](CC)c2cc(F)cc(Br)c2)nn1 ZINC000424298738 943826384 /nfs/dbraw/zinc/82/63/84/943826384.db2.gz TVEGECJRDUHGSM-OAHLLOKOSA-N 1 1 353.239 3.607 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1C ZINC000437534730 943896734 /nfs/dbraw/zinc/89/67/34/943896734.db2.gz IYYDVRHZDAPNFN-PMACEKPBSA-N 1 1 371.550 3.910 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1C ZINC000437534730 943896746 /nfs/dbraw/zinc/89/67/46/943896746.db2.gz IYYDVRHZDAPNFN-PMACEKPBSA-N 1 1 371.550 3.910 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H](C)C2)c1C#N ZINC000123032165 943900571 /nfs/dbraw/zinc/90/05/71/943900571.db2.gz JLWBNDMAVBGXAF-OAHLLOKOSA-N 1 1 368.481 3.678 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000515518504 943950780 /nfs/dbraw/zinc/95/07/80/943950780.db2.gz JMIJYBIPCVECBK-WOJBJXKFSA-N 1 1 369.553 3.740 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000515518504 943950783 /nfs/dbraw/zinc/95/07/83/943950783.db2.gz JMIJYBIPCVECBK-WOJBJXKFSA-N 1 1 369.553 3.740 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000515518504 943950791 /nfs/dbraw/zinc/95/07/91/943950791.db2.gz JMIJYBIPCVECBK-WOJBJXKFSA-N 1 1 369.553 3.740 20 30 FHEDMO C=CCC1(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCOCC1 ZINC000424579800 943995956 /nfs/dbraw/zinc/99/59/56/943995956.db2.gz BWTROYWBAOSDGT-IBGZPJMESA-N 1 1 370.537 3.908 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000436121532 944034386 /nfs/dbraw/zinc/03/43/86/944034386.db2.gz ATULQLKUNPRVID-HNNXBMFYSA-N 1 1 351.450 3.622 20 30 FHEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000436145826 944055525 /nfs/dbraw/zinc/05/55/25/944055525.db2.gz JQVIMALWRPXTFH-FGTMMUONSA-N 1 1 369.509 3.701 20 30 FHEDMO C=CCC1(C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424705359 944080052 /nfs/dbraw/zinc/08/00/52/944080052.db2.gz YGVWKRMHGQYFJP-OAQYLSRUSA-N 1 1 370.537 3.730 20 30 FHEDMO C=CCC1(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424705358 944080401 /nfs/dbraw/zinc/08/04/01/944080401.db2.gz YGVWKRMHGQYFJP-NRFANRHFSA-N 1 1 370.537 3.730 20 30 FHEDMO Cc1cc([NH+]2CCCCCC2)ccc1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000566578215 944157073 /nfs/dbraw/zinc/15/70/73/944157073.db2.gz GHNRCPKDXUUVSG-UHFFFAOYSA-N 1 1 351.410 3.716 20 30 FHEDMO Cc1noc(C2(C)CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)n1 ZINC000517267749 944170733 /nfs/dbraw/zinc/17/07/33/944170733.db2.gz IMZJSHFCRWJGLY-UHFFFAOYSA-N 1 1 364.371 3.822 20 30 FHEDMO CCOc1c(Br)cc(C[NH2+]CC2(C#N)CCC2)cc1OC ZINC000418136521 944189380 /nfs/dbraw/zinc/18/93/80/944189380.db2.gz CKBANAZSCKRAFS-UHFFFAOYSA-N 1 1 353.260 3.640 20 30 FHEDMO N#CCCC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000515837846 944256649 /nfs/dbraw/zinc/25/66/49/944256649.db2.gz FPJUEQICBBINAW-OAQYLSRUSA-N 1 1 367.518 3.969 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000425532169 944259697 /nfs/dbraw/zinc/25/96/97/944259697.db2.gz IMYZMPGTWMMHLJ-CYBMUJFWSA-N 1 1 354.479 3.525 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000425532169 944259703 /nfs/dbraw/zinc/25/97/03/944259703.db2.gz IMYZMPGTWMMHLJ-CYBMUJFWSA-N 1 1 354.479 3.525 20 30 FHEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CCc1cccc(F)c1 ZINC000500210237 944269482 /nfs/dbraw/zinc/26/94/82/944269482.db2.gz DSDKQMGDYFSWPM-UHFFFAOYSA-N 1 1 353.441 3.981 20 30 FHEDMO N#Cc1cccc(NC(=O)CC[N@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000436414831 944285772 /nfs/dbraw/zinc/28/57/72/944285772.db2.gz RIOVPCLKBPAAFT-UHFFFAOYSA-N 1 1 351.425 3.733 20 30 FHEDMO CSc1ccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425539360 944297558 /nfs/dbraw/zinc/29/75/58/944297558.db2.gz UBJRPLHPJLLASH-MRXNPFEDSA-N 1 1 367.518 3.932 20 30 FHEDMO CSc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425539360 944297562 /nfs/dbraw/zinc/29/75/62/944297562.db2.gz UBJRPLHPJLLASH-MRXNPFEDSA-N 1 1 367.518 3.932 20 30 FHEDMO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000140035901 944313343 /nfs/dbraw/zinc/31/33/43/944313343.db2.gz FGFANMFIRIAYCK-QGZVFWFLSA-N 1 1 370.518 3.955 20 30 FHEDMO Cc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000500254643 944337321 /nfs/dbraw/zinc/33/73/21/944337321.db2.gz RTUDZYCTCRZETJ-HXUWFJFHSA-N 1 1 353.510 3.687 20 30 FHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000517594376 944410739 /nfs/dbraw/zinc/41/07/39/944410739.db2.gz YHTYVGOUJHCITR-SFHVURJKSA-N 1 1 373.541 3.903 20 30 FHEDMO N#Cc1ccc(F)c(C[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c1 ZINC000516086703 944476437 /nfs/dbraw/zinc/47/64/37/944476437.db2.gz UKVHOONVRBSZAS-WGSAOQKQSA-N 1 1 354.425 3.709 20 30 FHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc2c(cc1Br)OCCO2 ZINC000048786330 944493470 /nfs/dbraw/zinc/49/34/70/944493470.db2.gz MBHXBXNNCHKEIC-GFCCVEGCSA-N 1 1 373.250 3.943 20 30 FHEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000517747550 944573724 /nfs/dbraw/zinc/57/37/24/944573724.db2.gz XGALPUIWFXPIDW-LJQANCHMSA-N 1 1 351.406 3.984 20 30 FHEDMO C=C[C@H]1CCCCN1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000426016095 944622618 /nfs/dbraw/zinc/62/26/18/944622618.db2.gz HSSAHQAMGRATBC-IZZBFERCSA-N 1 1 355.526 3.893 20 30 FHEDMO CCCc1csc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000426016982 944624793 /nfs/dbraw/zinc/62/47/93/944624793.db2.gz LGBITCUCTWDJAD-UHFFFAOYSA-N 1 1 354.523 3.675 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c(Cl)c1 ZINC000439454743 944638159 /nfs/dbraw/zinc/63/81/59/944638159.db2.gz SECSYZWSOHRFLR-QGZVFWFLSA-N 1 1 367.880 3.854 20 30 FHEDMO N#Cc1ccc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000506878121 944696855 /nfs/dbraw/zinc/69/68/55/944696855.db2.gz YAWMJXDWXGNUHQ-UHFFFAOYSA-N 1 1 366.484 3.707 20 30 FHEDMO COc1ccccc1/C=C/CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000506259959 944710383 /nfs/dbraw/zinc/71/03/83/944710383.db2.gz SGIGCOHKQDTCMO-QPJJXVBHSA-N 1 1 361.489 3.788 20 30 FHEDMO COc1ccccc1/C=C/C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506259959 944710387 /nfs/dbraw/zinc/71/03/87/944710387.db2.gz SGIGCOHKQDTCMO-QPJJXVBHSA-N 1 1 361.489 3.788 20 30 FHEDMO COc1ccccc1/C=C/C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506259959 944710394 /nfs/dbraw/zinc/71/03/94/944710394.db2.gz SGIGCOHKQDTCMO-QPJJXVBHSA-N 1 1 361.489 3.788 20 30 FHEDMO CC1CC[NH+](CCNCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000518761423 944727528 /nfs/dbraw/zinc/72/75/28/944727528.db2.gz VKPKTQHLSWJOPY-UHFFFAOYSA-N 1 1 363.505 3.959 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425653530 944829411 /nfs/dbraw/zinc/82/94/11/944829411.db2.gz ZYCLQNLZAKXFGB-UTKZUKDTSA-N 1 1 362.477 3.535 20 30 FHEDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438655828 944884750 /nfs/dbraw/zinc/88/47/50/944884750.db2.gz LSUMFPOYVGDCTH-INIZCTEOSA-N 1 1 368.412 3.705 20 30 FHEDMO N#CCCC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000431987926 944897667 /nfs/dbraw/zinc/89/76/67/944897667.db2.gz RTVGZPDLVKENGK-NHCUHLMSSA-N 1 1 368.525 3.985 20 30 FHEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000432026183 944930764 /nfs/dbraw/zinc/93/07/64/944930764.db2.gz MOMADEWRRIVTHX-UWJYYQICSA-N 1 1 372.415 3.803 20 30 FHEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000432026183 944930773 /nfs/dbraw/zinc/93/07/73/944930773.db2.gz MOMADEWRRIVTHX-UWJYYQICSA-N 1 1 372.415 3.803 20 30 FHEDMO N#Cc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)c(Cl)c1 ZINC000426121409 944954027 /nfs/dbraw/zinc/95/40/27/944954027.db2.gz AMLBTXXLSUXJRS-UHFFFAOYSA-N 1 1 368.868 3.604 20 30 FHEDMO CCCCCCCCC(=O)N1CCC[C@]2(CC[N@H+](COCCOC)C2)C1 ZINC001270164282 944955992 /nfs/dbraw/zinc/95/59/92/944955992.db2.gz TYSYYEVMTIYQDV-OAQYLSRUSA-N 1 1 368.562 3.672 20 30 FHEDMO CCCCCCCCC(=O)N1CCC[C@]2(CC[N@@H+](COCCOC)C2)C1 ZINC001270164282 944955994 /nfs/dbraw/zinc/95/59/94/944955994.db2.gz TYSYYEVMTIYQDV-OAQYLSRUSA-N 1 1 368.562 3.672 20 30 FHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC001167766459 945015172 /nfs/dbraw/zinc/01/51/72/945015172.db2.gz MEYVCVNWGJKJHX-HZPDHXFCSA-N 1 1 363.527 3.701 20 30 FHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC001167766459 945015179 /nfs/dbraw/zinc/01/51/79/945015179.db2.gz MEYVCVNWGJKJHX-HZPDHXFCSA-N 1 1 363.527 3.701 20 30 FHEDMO N#Cc1ccc(C2(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000437845856 945021589 /nfs/dbraw/zinc/02/15/89/945021589.db2.gz KMXFRRFNLPNQGT-FQEVSTJZSA-N 1 1 351.494 3.503 20 30 FHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000516582090 945035400 /nfs/dbraw/zinc/03/54/00/945035400.db2.gz QXHJDBWYVXMOAC-LAUBAEHRSA-N 1 1 362.477 3.535 20 30 FHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000507193749 945036461 /nfs/dbraw/zinc/03/64/61/945036461.db2.gz PJKHNPCEDSJKHD-UHFFFAOYSA-N 1 1 373.250 3.724 20 30 FHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1Cl ZINC000437115515 945037566 /nfs/dbraw/zinc/03/75/66/945037566.db2.gz IWSMJTQOOMEMLT-NLWGTHIKSA-N 1 1 370.880 3.851 20 30 FHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1Cl ZINC000437115515 945037575 /nfs/dbraw/zinc/03/75/75/945037575.db2.gz IWSMJTQOOMEMLT-NLWGTHIKSA-N 1 1 370.880 3.851 20 30 FHEDMO N#Cc1cccc(OCCC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000511762721 945039740 /nfs/dbraw/zinc/03/97/40/945039740.db2.gz NVOYHUDVWGQOEN-ZLNRFVROSA-N 1 1 362.473 3.832 20 30 FHEDMO C[C@@H]([NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1)C(=O)N(C)CCC#N ZINC000516606741 945061704 /nfs/dbraw/zinc/06/17/04/945061704.db2.gz VMIXEUNFGGMWEK-BZNIZROVSA-N 1 1 354.281 3.795 20 30 FHEDMO C[C@@H]1C[C@@H](N2CC[C@H]3SC(=O)C=C3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168047584 945371355 /nfs/dbraw/zinc/37/13/55/945371355.db2.gz QUKRMIKBSQRRHK-WOUAJJJCSA-N 1 1 356.535 3.702 20 30 FHEDMO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000330162807 945381765 /nfs/dbraw/zinc/38/17/65/945381765.db2.gz AMFCXCJCTBMFOJ-NRFANRHFSA-N 1 1 354.498 3.535 20 30 FHEDMO CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H](C)[N@@H+]1CCc3ccccc3C1)CC2 ZINC000330166289 945384434 /nfs/dbraw/zinc/38/44/34/945384434.db2.gz VDEXZPQGMNNCAJ-OXQOHEQNSA-N 1 1 366.509 3.725 20 30 FHEDMO CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H](C)[N@H+]1CCc3ccccc3C1)CC2 ZINC000330166289 945384445 /nfs/dbraw/zinc/38/44/45/945384445.db2.gz VDEXZPQGMNNCAJ-OXQOHEQNSA-N 1 1 366.509 3.725 20 30 FHEDMO CC(C)c1csc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC000330199611 945399626 /nfs/dbraw/zinc/39/96/26/945399626.db2.gz VQPACZHGIXPWCQ-HUUCEWRRSA-N 1 1 373.526 3.571 20 30 FHEDMO Cc1c([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CC2)cnn1-c1ccc(F)cc1 ZINC000330203114 945400634 /nfs/dbraw/zinc/40/06/34/945400634.db2.gz AMJFSZSVOIISJQ-ORAYPTAESA-N 1 1 356.445 3.964 20 30 FHEDMO O=C(N[C@@H]1CCOC2(CCOCC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000330225696 945411663 /nfs/dbraw/zinc/41/16/63/945411663.db2.gz OHMMUASEKVUPDK-VQTJNVASSA-N 1 1 372.509 3.583 20 30 FHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000330241946 945420711 /nfs/dbraw/zinc/42/07/11/945420711.db2.gz FWHPMKYIRNKABZ-NEPJUHHUSA-N 1 1 350.875 3.723 20 30 FHEDMO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000330241946 945420713 /nfs/dbraw/zinc/42/07/13/945420713.db2.gz FWHPMKYIRNKABZ-NEPJUHHUSA-N 1 1 350.875 3.723 20 30 FHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000330241946 945420717 /nfs/dbraw/zinc/42/07/17/945420717.db2.gz FWHPMKYIRNKABZ-NEPJUHHUSA-N 1 1 350.875 3.723 20 30 FHEDMO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000330261922 945431169 /nfs/dbraw/zinc/43/11/69/945431169.db2.gz UOTAKFXQHWRVCU-HZPDHXFCSA-N 1 1 365.543 3.771 20 30 FHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000330273739 945439317 /nfs/dbraw/zinc/43/93/17/945439317.db2.gz ZQOAZMOZAICMFK-RDGPPVDQSA-N 1 1 365.562 3.738 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000660811297 945518263 /nfs/dbraw/zinc/51/82/63/945518263.db2.gz HJEXFPFKYIPVOG-ZIBCJSCZSA-N 1 1 353.510 3.932 20 30 FHEDMO COc1cc2[nH+]c(N[C@@H](CCC#N)c3ccccc3)nc(N)c2cc1OC ZINC000164292719 945612886 /nfs/dbraw/zinc/61/28/86/945612886.db2.gz PMXOEMPDHPELMU-HNNXBMFYSA-N 1 1 363.421 3.686 20 30 FHEDMO COc1cc2[nH+]c(N[C@H](CCC#N)c3ccccc3)nc(N)c2cc1OC ZINC000164292844 945612930 /nfs/dbraw/zinc/61/29/30/945612930.db2.gz PMXOEMPDHPELMU-OAHLLOKOSA-N 1 1 363.421 3.686 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000281360477 945613088 /nfs/dbraw/zinc/61/30/88/945613088.db2.gz SGGSZSONDCJTOP-WIYYLYMNSA-N 1 1 363.461 3.586 20 30 FHEDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000281499189 945664966 /nfs/dbraw/zinc/66/49/66/945664966.db2.gz ASQBRULOQSQPHC-KRWDZBQOSA-N 1 1 373.497 3.716 20 30 FHEDMO C=C(C)Cn1c(CC2CC2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000519693800 945667192 /nfs/dbraw/zinc/66/71/92/945667192.db2.gz KBLYZLYQOARRPX-UHFFFAOYSA-N 1 1 359.562 3.755 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2C(C)C)cc1 ZINC000522711599 945703447 /nfs/dbraw/zinc/70/34/47/945703447.db2.gz GXGAXWAFCRNDMS-FQEVSTJZSA-N 1 1 357.498 3.842 20 30 FHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000519875418 945829048 /nfs/dbraw/zinc/82/90/48/945829048.db2.gz BHPKZHMLNYYCAE-HSZRJFAPSA-N 1 1 373.500 3.985 20 30 FHEDMO CN1CC[C@H](CNC(=[NH2+])Nc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262037684 945830934 /nfs/dbraw/zinc/83/09/34/945830934.db2.gz QZAQBKASMLUPFM-RDTXWAMCSA-N 1 1 360.864 3.899 20 30 FHEDMO C[NH+](C)Cc1cc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)ccc1Cl ZINC000281733467 945832153 /nfs/dbraw/zinc/83/21/53/945832153.db2.gz RYGAHKPGCVKQPF-INIZCTEOSA-N 1 1 366.852 3.594 20 30 FHEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)nc1 ZINC000440756947 945847550 /nfs/dbraw/zinc/84/75/50/945847550.db2.gz GTIAYTWVBXOKEA-SFHVURJKSA-N 1 1 367.880 3.746 20 30 FHEDMO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000519907689 945871527 /nfs/dbraw/zinc/87/15/27/945871527.db2.gz VQOUFLVQKDQFAV-SFHVURJKSA-N 1 1 369.431 3.970 20 30 FHEDMO CC(C)C[N@@H+](CC(=O)N(C)Cc1cccs1)Cc1ccc(C#N)cc1 ZINC000519908636 945873907 /nfs/dbraw/zinc/87/39/07/945873907.db2.gz ILDMCQLWAAFQEB-UHFFFAOYSA-N 1 1 355.507 3.736 20 30 FHEDMO CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000550105733 945874972 /nfs/dbraw/zinc/87/49/72/945874972.db2.gz UVQPBSJXFCVOFC-SFHVURJKSA-N 1 1 350.466 3.687 20 30 FHEDMO N#Cc1ccc(C(=O)N2CCC[C@@]3(CCC[N@H+](C4CCCC4)C3)C2)cc1 ZINC001271561875 945881979 /nfs/dbraw/zinc/88/19/79/945881979.db2.gz KEVKQXFHCROQNX-JOCHJYFZSA-N 1 1 351.494 3.819 20 30 FHEDMO CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC001271562832 945885684 /nfs/dbraw/zinc/88/56/84/945885684.db2.gz ZNOVJOVQIHYEGZ-DZFGPLHGSA-N 1 1 353.510 3.921 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000519904472 945888677 /nfs/dbraw/zinc/88/86/77/945888677.db2.gz MDVQHWIMDSNECX-OAQYLSRUSA-N 1 1 359.489 3.667 20 30 FHEDMO N#CC1(CCC[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)CCOCC1 ZINC000281899034 945917627 /nfs/dbraw/zinc/91/76/27/945917627.db2.gz 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CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000330876730 947290438 /nfs/dbraw/zinc/29/04/38/947290438.db2.gz VNLFLYWWWMHSBQ-KRWDZBQOSA-N 1 1 358.404 3.536 20 30 FHEDMO CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000330876730 947290451 /nfs/dbraw/zinc/29/04/51/947290451.db2.gz VNLFLYWWWMHSBQ-KRWDZBQOSA-N 1 1 358.404 3.536 20 30 FHEDMO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000330876629 947290577 /nfs/dbraw/zinc/29/05/77/947290577.db2.gz FYHMZFNARVUXIR-CHWSQXEVSA-N 1 1 366.893 3.649 20 30 FHEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC ZINC000330963066 947318662 /nfs/dbraw/zinc/31/86/62/947318662.db2.gz GOWNWMGQSNZUHD-CQSZACIVSA-N 1 1 364.559 3.983 20 30 FHEDMO Cc1nn(CC(F)(F)F)cc1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000331054171 947335960 /nfs/dbraw/zinc/33/59/60/947335960.db2.gz NTINXIHJDZEEMX-BETUJISGSA-N 1 1 374.451 3.815 20 30 FHEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000599438721 947343434 /nfs/dbraw/zinc/34/34/34/947343434.db2.gz ZNMALXOIICNVKC-HKBOAZHASA-N 1 1 356.510 3.716 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cl)c(OC)cc2OC)C[C@@H]1C ZINC000331135794 947354094 /nfs/dbraw/zinc/35/40/94/947354094.db2.gz CSHGHOBYHZKBNJ-STQMWFEESA-N 1 1 369.893 3.707 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(NC(=O)C(C)C)c2)C[C@H]1C ZINC000331128771 947363330 /nfs/dbraw/zinc/36/33/30/947363330.db2.gz OJGIEDGMXDLYPD-QAPCUYQASA-N 1 1 360.502 3.631 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2sc(C)c(C)c2C(=O)OC)C[C@H]1C ZINC000331277773 947376211 /nfs/dbraw/zinc/37/62/11/947376211.db2.gz JOZMVDASXVFACJ-BXUZGUMPSA-N 1 1 367.515 3.502 20 30 FHEDMO CC(=O)Nc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c(Cl)c1 ZINC000331236505 947377339 /nfs/dbraw/zinc/37/73/39/947377339.db2.gz HLUXIJGSFXDPLS-HNNXBMFYSA-N 1 1 366.893 3.650 20 30 FHEDMO Cc1ccc(Cl)c(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC000331238338 947378453 /nfs/dbraw/zinc/37/84/53/947378453.db2.gz LJHLQZBTGZLHKD-MRXNPFEDSA-N 1 1 353.894 3.640 20 30 FHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)C1 ZINC000331316798 947385612 /nfs/dbraw/zinc/38/56/12/947385612.db2.gz FXAWWDMXTZJXPG-GZBFAFLISA-N 1 1 360.424 3.973 20 30 FHEDMO COc1cc(CNc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000440618117 947391754 /nfs/dbraw/zinc/39/17/54/947391754.db2.gz VJWONSQGNMZBPH-IAGOWNOFSA-N 1 1 365.477 3.788 20 30 FHEDMO N#Cc1ccc(CNC(=O)C[N@@H+](CCc2ccccc2)C2CCCC2)cc1 ZINC000523606642 947412869 /nfs/dbraw/zinc/41/28/69/947412869.db2.gz KZZVESRQJHGGPZ-UHFFFAOYSA-N 1 1 361.489 3.662 20 30 FHEDMO N#Cc1c(F)cccc1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000428394708 947570556 /nfs/dbraw/zinc/57/05/56/947570556.db2.gz BZPMJHDGKJZXOW-UHFFFAOYSA-N 1 1 361.424 3.862 20 30 FHEDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000278888707 948000648 /nfs/dbraw/zinc/00/06/48/948000648.db2.gz ONWWZTUFKJJNGP-JXFKEZNVSA-N 1 1 365.452 3.822 20 30 FHEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CC(F)(F)F)C2)sc2c1CCC2 ZINC000278918551 948111781 /nfs/dbraw/zinc/11/17/81/948111781.db2.gz WKGLOFHWHNVXOU-LLVKDONJSA-N 1 1 371.428 3.711 20 30 FHEDMO C=CCC(C)(C)CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000458812768 948143156 /nfs/dbraw/zinc/14/31/56/948143156.db2.gz RFGMOEFHGABLCU-UXHICEINSA-N 1 1 355.526 3.752 20 30 FHEDMO C[C@H]1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000520533994 948241621 /nfs/dbraw/zinc/24/16/21/948241621.db2.gz QXDDETOHGRXLTO-GHTZIAJQSA-N 1 1 368.525 3.602 20 30 FHEDMO CC(C)(C)C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000507783862 948390275 /nfs/dbraw/zinc/39/02/75/948390275.db2.gz GQJDUMXPUQWDFP-FQEVSTJZSA-N 1 1 352.478 3.846 20 30 FHEDMO Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001143586728 948410324 /nfs/dbraw/zinc/41/03/24/948410324.db2.gz UMVATBNXTRCPMF-JOCHJYFZSA-N 1 1 363.436 3.635 20 30 FHEDMO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000279032747 948415332 /nfs/dbraw/zinc/41/53/32/948415332.db2.gz WUCIIDHQELKIFT-SNVBAGLBSA-N 1 1 368.384 3.713 20 30 FHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000614629268 948442268 /nfs/dbraw/zinc/44/22/68/948442268.db2.gz YTSOMTJPQYRSGS-INIZCTEOSA-N 1 1 367.880 3.948 20 30 FHEDMO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(F)cc1Cl ZINC000183784145 948477628 /nfs/dbraw/zinc/47/76/28/948477628.db2.gz KWNQCKOTTDUTBQ-ZDUSSCGKSA-N 1 1 351.853 3.815 20 30 FHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000108077879 210139414 /nfs/dbraw/zinc/13/94/14/210139414.db2.gz YTHRQIIQBDLJQD-QGZVFWFLSA-N 1 1 363.299 3.787 20 30 FHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000108077879 210139419 /nfs/dbraw/zinc/13/94/19/210139419.db2.gz YTHRQIIQBDLJQD-QGZVFWFLSA-N 1 1 363.299 3.787 20 30 FHEDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000602074499 567916890 /nfs/dbraw/zinc/91/68/90/567916890.db2.gz QDNMASGBSQLMLK-NRFANRHFSA-N 1 1 363.461 3.754 20 30 FHEDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000602074499 567916891 /nfs/dbraw/zinc/91/68/91/567916891.db2.gz QDNMASGBSQLMLK-NRFANRHFSA-N 1 1 363.461 3.754 20 30 FHEDMO C[N@H+]1CC[C@@H](CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000602071294 567925676 /nfs/dbraw/zinc/92/56/76/567925676.db2.gz KPTAUNKYAQYCSL-SFHVURJKSA-N 1 1 363.461 3.612 20 30 FHEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000602098489 567926443 /nfs/dbraw/zinc/92/64/43/567926443.db2.gz WORLIOZDMIHWER-ZDUSSCGKSA-N 1 1 351.237 3.694 20 30 FHEDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602543384 567989914 /nfs/dbraw/zinc/98/99/14/567989914.db2.gz CHPRSMOMLUWNCO-LRYGQEGESA-N 1 1 358.505 3.701 20 30 FHEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000603557415 568116893 /nfs/dbraw/zinc/11/68/93/568116893.db2.gz RSYCWCGJJPYWRW-FPOVZHCZSA-N 1 1 370.880 3.983 20 30 FHEDMO Cc1nc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000481798627 568127389 /nfs/dbraw/zinc/12/73/89/568127389.db2.gz GOPQMPNEZTWGRU-INIZCTEOSA-N 1 1 362.477 3.566 20 30 FHEDMO CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000603658116 568134122 /nfs/dbraw/zinc/13/41/22/568134122.db2.gz LWIPMTUANJRGQB-FQEVSTJZSA-N 1 1 362.477 3.884 20 30 FHEDMO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2Cl)c1 ZINC000568708677 568136545 /nfs/dbraw/zinc/13/65/45/568136545.db2.gz YCYWPEVKDFSAFJ-CYBMUJFWSA-N 1 1 357.841 3.647 20 30 FHEDMO CN(C(=O)C[N@H+]1CCC[C@@H]1CCc1ccccc1)C1(C#N)CCCCC1 ZINC000603855656 568167970 /nfs/dbraw/zinc/16/79/70/568167970.db2.gz ACLJRKNYPIHPRI-HXUWFJFHSA-N 1 1 353.510 3.768 20 30 FHEDMO CN(C(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1)C1(C#N)CCCCC1 ZINC000603855655 568167980 /nfs/dbraw/zinc/16/79/80/568167980.db2.gz ACLJRKNYPIHPRI-FQEVSTJZSA-N 1 1 353.510 3.768 20 30 FHEDMO N#Cc1ccc(SCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000481996100 568218924 /nfs/dbraw/zinc/21/89/24/568218924.db2.gz BOZAKNPARZHGQU-GOSISDBHSA-N 1 1 369.490 3.587 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000568806698 568229099 /nfs/dbraw/zinc/22/90/99/568229099.db2.gz JTTBWYFCUGRDPH-LEWJYISDSA-N 1 1 374.488 3.853 20 30 FHEDMO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000303638358 568268154 /nfs/dbraw/zinc/26/81/54/568268154.db2.gz HHOKNOYEBFHKHV-BLIXFSHQSA-N 1 1 357.473 3.626 20 30 FHEDMO CC(C)C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604500734 568301665 /nfs/dbraw/zinc/30/16/65/568301665.db2.gz NKOWNXXUNLMSSM-OAQYLSRUSA-N 1 1 352.478 3.651 20 30 FHEDMO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(OC)cc1 ZINC000604492828 568303647 /nfs/dbraw/zinc/30/36/47/568303647.db2.gz AZYMNLUEFDOQRO-UHFFFAOYSA-N 1 1 357.498 3.592 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520760 568308045 /nfs/dbraw/zinc/30/80/45/568308045.db2.gz MHISSABTTLGMJM-RPUPUWCGSA-N 1 1 371.525 3.529 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000604608346 568326209 /nfs/dbraw/zinc/32/62/09/568326209.db2.gz NXENMTZENZOUEV-RTWAWAEBSA-N 1 1 369.530 3.945 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(C(F)(F)F)c1 ZINC000569751650 568419913 /nfs/dbraw/zinc/41/99/13/568419913.db2.gz RRUHBDFKLQZMOQ-CQSZACIVSA-N 1 1 362.355 3.827 20 30 FHEDMO COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000050108064 568726657 /nfs/dbraw/zinc/72/66/57/568726657.db2.gz UPDUKMHPWRWJMN-KRWDZBQOSA-N 1 1 372.856 3.645 20 30 FHEDMO CC(C)c1[nH+]c(C=CC(=O)c2cccc(-c3nn[nH]n3)c2)c2ccccn21 ZINC000820203638 606693221 /nfs/dbraw/zinc/69/32/21/606693221.db2.gz XDIUTJZISSXVGU-KTKRTIGZSA-N 1 1 358.405 3.534 20 30 FHEDMO C[C@H](C#N)C[N@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C1CC1 ZINC000824033756 607831256 /nfs/dbraw/zinc/83/12/56/607831256.db2.gz AHPGUXQICSVCFA-OAHLLOKOSA-N 1 1 358.449 3.658 20 30 FHEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C1CC1 ZINC000824033756 607831257 /nfs/dbraw/zinc/83/12/57/607831257.db2.gz AHPGUXQICSVCFA-OAHLLOKOSA-N 1 1 358.449 3.658 20 30 FHEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000824777150 608125641 /nfs/dbraw/zinc/12/56/41/608125641.db2.gz HOGMHADCDLBXBV-OAQYLSRUSA-N 1 1 358.449 3.659 20 30 FHEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000824777150 608125642 /nfs/dbraw/zinc/12/56/42/608125642.db2.gz HOGMHADCDLBXBV-OAQYLSRUSA-N 1 1 358.449 3.659 20 30 FHEDMO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824761954 608463491 /nfs/dbraw/zinc/46/34/91/608463491.db2.gz DIAFHOQSXDBCRK-OAHLLOKOSA-N 1 1 356.433 3.589 20 30 FHEDMO C=CC[N@@H+](Cc1cnc(CC(C)C)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914793 608632636 /nfs/dbraw/zinc/63/26/36/608632636.db2.gz NSEMSNGXMXYCJT-UHFFFAOYSA-N 1 1 368.510 3.710 20 30 FHEDMO C=CC[N@H+](Cc1cnc(CC(C)C)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914793 608632637 /nfs/dbraw/zinc/63/26/37/608632637.db2.gz NSEMSNGXMXYCJT-UHFFFAOYSA-N 1 1 368.510 3.710 20 30 FHEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2cc(F)c(F)cc2c(Cl)c1C#N ZINC001164636341 719258743 /nfs/dbraw/zinc/25/87/43/719258743.db2.gz SDWIHSOHEQSVAC-VHSXEESVSA-N 1 1 350.800 3.567 20 30 FHEDMO Cc1cc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1C#N ZINC001164853959 720926960 /nfs/dbraw/zinc/92/69/60/720926960.db2.gz CSKXUEJHFRAWSF-CQSZACIVSA-N 1 1 372.904 3.533 20 30 FHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(C#N)c3ccccc3n1)[C@@H]2C ZINC001164857191 721002275 /nfs/dbraw/zinc/00/22/75/721002275.db2.gz CVEAEVYCLVANSU-MRXNPFEDSA-N 1 1 374.492 3.724 20 30 FHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c12 ZINC001164775085 721303719 /nfs/dbraw/zinc/30/37/19/721303719.db2.gz OTCITUOEDPIURN-UHFFFAOYSA-N 1 1 366.896 3.990 20 30 FHEDMO Cc1cc(C#N)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1C ZINC001164992860 722197968 /nfs/dbraw/zinc/19/79/68/722197968.db2.gz BIQAKQPIJDZSKA-QFIPXVFZSA-N 1 1 364.468 3.954 20 30 FHEDMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000153797687 937098453 /nfs/dbraw/zinc/09/84/53/937098453.db2.gz OWDKELXOBQOAHL-SFHVURJKSA-N 1 1 353.470 3.709 20 30 FHEDMO COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000161538653 937126975 /nfs/dbraw/zinc/12/69/75/937126975.db2.gz UDYGMZXSBTZAIC-ZDUSSCGKSA-N 1 1 357.479 3.843 20 30 FHEDMO C=CCC1(NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CCCCC1 ZINC000458398520 937161835 /nfs/dbraw/zinc/16/18/35/937161835.db2.gz FIOFYOVJMDEHQF-OALUTQOASA-N 1 1 365.562 3.702 20 30 FHEDMO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)s2)o1 ZINC000430174865 927537547 /nfs/dbraw/zinc/53/75/47/927537547.db2.gz ACTBUWCHYYWOHT-OAHLLOKOSA-N 1 1 366.446 3.632 20 30 FHEDMO Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)s2)o1 ZINC000430174865 927537563 /nfs/dbraw/zinc/53/75/63/927537563.db2.gz ACTBUWCHYYWOHT-OAHLLOKOSA-N 1 1 366.446 3.632 20 30 FHEDMO COc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c2ccccc12 ZINC000430181311 927598178 /nfs/dbraw/zinc/59/81/78/927598178.db2.gz VJKPZEHZHGFORJ-SFHVURJKSA-N 1 1 359.429 3.768 20 30 FHEDMO COc1cc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)ccc1OCc1cccc(C#N)c1 ZINC000510107654 928333226 /nfs/dbraw/zinc/33/32/26/928333226.db2.gz ANKJIJZTWKZYKJ-BGYRXZFFSA-N 1 1 366.461 3.755 20 30 FHEDMO COC(=O)c1cccc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1C#N ZINC000535963716 937239333 /nfs/dbraw/zinc/23/93/33/937239333.db2.gz NANIDKMJVANFJP-RHSMWYFYSA-N 1 1 352.409 3.862 20 30 FHEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NCc1cnc2c(C#N)cnn2c1 ZINC000578193609 928655543 /nfs/dbraw/zinc/65/55/43/928655543.db2.gz IGZPEFMIDKLAOX-INIZCTEOSA-N 1 1 360.465 3.900 20 30 FHEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NCc1cnc2c(C#N)cnn2c1 ZINC000578193609 928655552 /nfs/dbraw/zinc/65/55/52/928655552.db2.gz IGZPEFMIDKLAOX-INIZCTEOSA-N 1 1 360.465 3.900 20 30 FHEDMO C=CCc1cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc(OC)c1OC ZINC000064820976 928855370 /nfs/dbraw/zinc/85/53/70/928855370.db2.gz CCQRQGGRYXYJBS-INIZCTEOSA-N 1 1 374.525 3.673 20 30 FHEDMO CC[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccc(C#N)cc1 ZINC000278173328 937300439 /nfs/dbraw/zinc/30/04/39/937300439.db2.gz CNNFVNUCMAGQRX-HNNXBMFYSA-N 1 1 359.355 3.861 20 30 FHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CCOc2ccc(C#N)cc2OC)cc1 ZINC000535625577 929227312 /nfs/dbraw/zinc/22/73/12/929227312.db2.gz DYLOQBIAGWLYMZ-KRWDZBQOSA-N 1 1 368.477 3.765 20 30 FHEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000178849888 937324924 /nfs/dbraw/zinc/32/49/24/937324924.db2.gz BHQMRRVGBKPVDU-HXUWFJFHSA-N 1 1 357.425 3.842 20 30 FHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000178849888 937324926 /nfs/dbraw/zinc/32/49/26/937324926.db2.gz BHQMRRVGBKPVDU-HXUWFJFHSA-N 1 1 357.425 3.842 20 30 FHEDMO C=CCCC[N@H+](CCC)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001209160202 929390905 /nfs/dbraw/zinc/39/09/05/929390905.db2.gz JATIPGVIOJNVNY-AWEZNQCLSA-N 1 1 352.500 3.848 20 30 FHEDMO N#Cc1cnc2c(F)ccc(F)c2c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000610245196 929530439 /nfs/dbraw/zinc/53/04/39/929530439.db2.gz GOYQFBGHUHMGFM-UHFFFAOYSA-N 1 1 370.428 3.768 20 30 FHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000579967355 929647635 /nfs/dbraw/zinc/64/76/35/929647635.db2.gz FHAGJGMQBWRNIO-QGZVFWFLSA-N 1 1 357.498 3.819 20 30 FHEDMO C=C(C)C(=O)NCCCNc1[nH+]cnc2c1c(C)c(C)n2C1CCCC1 ZINC001167667591 937350580 /nfs/dbraw/zinc/35/05/80/937350580.db2.gz NHJOYZHRYLHYHX-UHFFFAOYSA-N 1 1 355.486 3.658 20 30 FHEDMO C=C(C)C(=O)NCCCNc1cc(C(F)(F)F)c2c([nH+]1)CCCCC2 ZINC001167667358 937352093 /nfs/dbraw/zinc/35/20/93/937352093.db2.gz JBZWBRDUAIWFDE-UHFFFAOYSA-N 1 1 355.404 3.864 20 30 FHEDMO CCC[N@@H+](CCc1ccccn1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000580006155 929803754 /nfs/dbraw/zinc/80/37/54/929803754.db2.gz NPQYHDRAORNWLV-UHFFFAOYSA-N 1 1 359.477 3.808 20 30 FHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c(F)cc(C#N)cc1F ZINC000187316994 929900840 /nfs/dbraw/zinc/90/08/40/929900840.db2.gz FXVUVUUGHBNHIN-LJQANCHMSA-N 1 1 371.431 3.723 20 30 FHEDMO C[C@H](NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348944 930065503 /nfs/dbraw/zinc/06/55/03/930065503.db2.gz CZKBNIDURYDECO-XGHQBKJUSA-N 1 1 362.477 3.754 20 30 FHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000610351858 930090381 /nfs/dbraw/zinc/09/03/81/930090381.db2.gz KSVWOBNROKTQFS-DLBZAZTESA-N 1 1 356.514 3.819 20 30 FHEDMO Cn1cc([C@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)CC2(C)C)cn1 ZINC000583389165 937398110 /nfs/dbraw/zinc/39/81/10/937398110.db2.gz DBNNDTVYNGTOHF-MRXNPFEDSA-N 1 1 373.298 3.680 20 30 FHEDMO C=CCO[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001266577069 930258300 /nfs/dbraw/zinc/25/83/00/930258300.db2.gz VRRRIVGFVSABND-BHIFYINESA-N 1 1 370.537 3.584 20 30 FHEDMO C[N@H+](CC#Cc1cccc(Cl)c1)C1CCN(CCc2ccccn2)CC1 ZINC000155721875 930581957 /nfs/dbraw/zinc/58/19/57/930581957.db2.gz BMIWWBHSJPWBIB-UHFFFAOYSA-N 1 1 367.924 3.725 20 30 FHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C1CCN(CCc2ccccn2)CC1 ZINC000155721875 930581959 /nfs/dbraw/zinc/58/19/59/930581959.db2.gz BMIWWBHSJPWBIB-UHFFFAOYSA-N 1 1 367.924 3.725 20 30 FHEDMO Cc1noc(C2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000156313641 937427203 /nfs/dbraw/zinc/42/72/03/937427203.db2.gz MIRUGBOOSXWKTI-UHFFFAOYSA-N 1 1 365.355 3.508 20 30 FHEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC001167391331 930614990 /nfs/dbraw/zinc/61/49/90/930614990.db2.gz HREMIVWMTHUVPH-WIYYLYMNSA-N 1 1 366.546 3.815 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cccc(C#N)c1 ZINC000471574001 930632797 /nfs/dbraw/zinc/63/27/97/930632797.db2.gz LQGBCOOYSLNPKT-LFUKPOHLSA-N 1 1 362.477 3.836 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(F)cc1C#N ZINC000083577111 930661253 /nfs/dbraw/zinc/66/12/53/930661253.db2.gz QATBUZCZOKMODH-MRXNPFEDSA-N 1 1 366.440 3.826 20 30 FHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000580630949 930948719 /nfs/dbraw/zinc/94/87/19/930948719.db2.gz OXXHXEHZEYVQHO-UHFFFAOYSA-N 1 1 353.426 3.501 20 30 FHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175840275 931090223 /nfs/dbraw/zinc/09/02/23/931090223.db2.gz CZXNJTPPXXZBLG-AEFFLSMTSA-N 1 1 369.490 3.536 20 30 FHEDMO CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000510357620 931304070 /nfs/dbraw/zinc/30/40/70/931304070.db2.gz YGIHOCPWSUOEQU-UHFFFAOYSA-N 1 1 358.445 3.830 20 30 FHEDMO O[C@H]1CC2(CC[NH+](CC#Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000933073759 931461331 /nfs/dbraw/zinc/46/13/31/931461331.db2.gz TWXNXHBNLPDBKP-FQEVSTJZSA-N 1 1 351.421 3.528 20 30 FHEDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473993 931468996 /nfs/dbraw/zinc/46/89/96/931468996.db2.gz QQZPTYOGMQPBTA-IERDGZPVSA-N 1 1 365.452 3.929 20 30 FHEDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473993 931469004 /nfs/dbraw/zinc/46/90/04/931469004.db2.gz QQZPTYOGMQPBTA-IERDGZPVSA-N 1 1 365.452 3.929 20 30 FHEDMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473983 931469110 /nfs/dbraw/zinc/46/91/10/931469110.db2.gz NSEZJXKDQXCLKA-YWZLYKJASA-N 1 1 351.425 3.539 20 30 FHEDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473983 931469112 /nfs/dbraw/zinc/46/91/12/931469112.db2.gz NSEZJXKDQXCLKA-YWZLYKJASA-N 1 1 351.425 3.539 20 30 FHEDMO C[NH+](C)[C@@H](C(=O)N[C@@]1(C#N)CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000581019508 931474819 /nfs/dbraw/zinc/47/48/19/931474819.db2.gz GEEJDGVCUNMDJJ-CTNGQTDRSA-N 1 1 367.880 3.510 20 30 FHEDMO N#Cc1nnc2ccccc2c1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000077213409 931584695 /nfs/dbraw/zinc/58/46/95/931584695.db2.gz AZEJPMLDWDCSQX-GOSISDBHSA-N 1 1 357.461 3.826 20 30 FHEDMO N#CCCOCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000581144122 931614469 /nfs/dbraw/zinc/61/44/69/931614469.db2.gz CBIBAESSAKOXQD-INIZCTEOSA-N 1 1 370.280 3.717 20 30 FHEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000581144122 931614475 /nfs/dbraw/zinc/61/44/75/931614475.db2.gz CBIBAESSAKOXQD-INIZCTEOSA-N 1 1 370.280 3.717 20 30 FHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(F)c(F)cc1OC)CC2 ZINC001143389844 931709367 /nfs/dbraw/zinc/70/93/67/931709367.db2.gz NBGODZYMDYWZTP-FQEVSTJZSA-N 1 1 364.436 3.507 20 30 FHEDMO COc1nsc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1Br ZINC000602641032 931966744 /nfs/dbraw/zinc/96/67/44/931966744.db2.gz OPZULYMZFYDZBJ-GFCCVEGCSA-N 1 1 364.268 3.563 20 30 FHEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000581421815 932024556 /nfs/dbraw/zinc/02/45/56/932024556.db2.gz FGBABFNEPNPMIL-WIYYLYMNSA-N 1 1 366.509 3.979 20 30 FHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178036859 932173323 /nfs/dbraw/zinc/17/33/23/932173323.db2.gz YYMONJIRIVJJEI-QGZVFWFLSA-N 1 1 365.452 3.535 20 30 FHEDMO C[C@@H]1SCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1c1ccccc1 ZINC000581513207 932192086 /nfs/dbraw/zinc/19/20/86/932192086.db2.gz HKMBVFKUWLAGTJ-FXAWDEMLSA-N 1 1 371.550 3.850 20 30 FHEDMO C[C@@H]1SCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1c1ccccc1 ZINC000581513207 932192091 /nfs/dbraw/zinc/19/20/91/932192091.db2.gz HKMBVFKUWLAGTJ-FXAWDEMLSA-N 1 1 371.550 3.850 20 30 FHEDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000178059116 932244571 /nfs/dbraw/zinc/24/45/71/932244571.db2.gz QULWCCQCTNIEBZ-GOSISDBHSA-N 1 1 351.450 3.652 20 30 FHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)cc1C ZINC000126678648 932335640 /nfs/dbraw/zinc/33/56/40/932335640.db2.gz YMSRRXVFRIHYDU-NRFANRHFSA-N 1 1 361.489 3.851 20 30 FHEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000477189780 932380060 /nfs/dbraw/zinc/38/00/60/932380060.db2.gz PKEXGKKVRYZQMC-YADHBBJMSA-N 1 1 361.489 3.833 20 30 FHEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000127252524 932474645 /nfs/dbraw/zinc/47/46/45/932474645.db2.gz NMBOSXBOLCDYHO-KRWDZBQOSA-N 1 1 368.506 3.679 20 30 FHEDMO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000155397513 932583711 /nfs/dbraw/zinc/58/37/11/932583711.db2.gz PLYRRYQPFLXEKZ-UHFFFAOYSA-N 1 1 350.397 3.728 20 30 FHEDMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000155397513 932583717 /nfs/dbraw/zinc/58/37/17/932583717.db2.gz PLYRRYQPFLXEKZ-UHFFFAOYSA-N 1 1 350.397 3.728 20 30 FHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001167482155 932615393 /nfs/dbraw/zinc/61/53/93/932615393.db2.gz GGCVIUDECOMMEH-HXUWFJFHSA-N 1 1 361.489 3.882 20 30 FHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001167482154 932621420 /nfs/dbraw/zinc/62/14/20/932621420.db2.gz GGCVIUDECOMMEH-FQEVSTJZSA-N 1 1 361.489 3.882 20 30 FHEDMO COc1ccc([C@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)cc1OC ZINC000051284054 932900200 /nfs/dbraw/zinc/90/02/00/932900200.db2.gz RXJILPRYRXPIDM-LJQANCHMSA-N 1 1 352.434 3.791 20 30 FHEDMO N#CCSCCC[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000074990724 933095659 /nfs/dbraw/zinc/09/56/59/933095659.db2.gz RYUGUUTXQVOUJU-MRXNPFEDSA-N 1 1 360.458 3.583 20 30 FHEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000074990724 933095667 /nfs/dbraw/zinc/09/56/67/933095667.db2.gz RYUGUUTXQVOUJU-MRXNPFEDSA-N 1 1 360.458 3.583 20 30 FHEDMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1)NC1CCOCC1 ZINC000328906824 933158036 /nfs/dbraw/zinc/15/80/36/933158036.db2.gz BRAVCNOLNHZUKP-UHFFFAOYSA-N 1 1 374.481 3.686 20 30 FHEDMO C[C@H]1C[C@H](CCNC(=O)Nc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000510675422 933397213 /nfs/dbraw/zinc/39/72/13/933397213.db2.gz ONGGIQSCKJZMCF-PXNSSMCTSA-N 1 1 362.477 3.980 20 30 FHEDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000510680659 933405494 /nfs/dbraw/zinc/40/54/94/933405494.db2.gz LBGILEXVMSEIDB-MRXNPFEDSA-N 1 1 364.449 3.814 20 30 FHEDMO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000610584825 933428190 /nfs/dbraw/zinc/42/81/90/933428190.db2.gz GPPGNWWXQWPIEM-KRWDZBQOSA-N 1 1 366.440 3.731 20 30 FHEDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCn2cncc2C1 ZINC000328958749 933433814 /nfs/dbraw/zinc/43/38/14/933433814.db2.gz OOZQMSRCAWALST-UMQXSMKFSA-N 1 1 364.493 3.598 20 30 FHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000510692685 933439191 /nfs/dbraw/zinc/43/91/91/933439191.db2.gz HCWWFXITWLTYAR-CVEARBPZSA-N 1 1 358.486 3.587 20 30 FHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)ccc1OC ZINC000510694441 933440541 /nfs/dbraw/zinc/44/05/41/933440541.db2.gz XYGOUBNDGKLIAK-SFHVURJKSA-N 1 1 355.482 3.763 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc(C#N)cs1 ZINC000247453065 933559064 /nfs/dbraw/zinc/55/90/64/933559064.db2.gz PAJIZQNZNSLFEQ-QWHZDKJVSA-N 1 1 353.491 3.506 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000431140403 933908378 /nfs/dbraw/zinc/90/83/78/933908378.db2.gz QLNFHKOCNOCFDO-TZIWHRDSSA-N 1 1 352.478 3.633 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000431140403 933908385 /nfs/dbraw/zinc/90/83/85/933908385.db2.gz QLNFHKOCNOCFDO-TZIWHRDSSA-N 1 1 352.478 3.633 20 30 FHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC#Cc1cccc(F)c1 ZINC000510910988 934013979 /nfs/dbraw/zinc/01/39/79/934013979.db2.gz DQSPWVKVDHBATA-UHFFFAOYSA-N 1 1 367.468 3.517 20 30 FHEDMO C=CC[N@H+](Cc1ccc(O[C@H](C)C(=O)OC)cc1)Cc1cccc(C#N)c1 ZINC000092504597 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C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000612364613 940024501 /nfs/dbraw/zinc/02/45/01/940024501.db2.gz BTXDWRYMKKNYNY-XMSQKQJNSA-N 1 1 369.509 3.706 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612364595 940024718 /nfs/dbraw/zinc/02/47/18/940024718.db2.gz BTXDWRYMKKNYNY-AVRDEDQJSA-N 1 1 369.509 3.706 20 30 FHEDMO C[C@@H](NC(=O)CCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364989856 940034755 /nfs/dbraw/zinc/03/47/55/940034755.db2.gz SJSMUEWJBYYRMG-GCJKJVERSA-N 1 1 361.489 3.518 20 30 FHEDMO Cc1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc2cccnc12 ZINC000612397661 940044367 /nfs/dbraw/zinc/04/43/67/940044367.db2.gz FDLUBSIKJBWFPF-UHFFFAOYSA-N 1 1 373.460 3.603 20 30 FHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000413835874 940173818 /nfs/dbraw/zinc/17/38/18/940173818.db2.gz OGWVPKUJXOSVRQ-UYAOXDASSA-N 1 1 355.526 3.690 20 30 FHEDMO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1F ZINC000179963655 940174657 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C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660628530 945326126 /nfs/dbraw/zinc/32/61/26/945326126.db2.gz UZMIOLYOSFCVNQ-ZWKOTPCHSA-N 1 1 369.534 3.926 20 30 FHEDMO C=CCc1cc(C[N@H+]2CCCN(c3ccccc3)CC2)cc(OC)c1O ZINC000511474677 940506805 /nfs/dbraw/zinc/50/68/05/940506805.db2.gz BRYXSXIDMRCDBA-UHFFFAOYSA-N 1 1 352.478 3.842 20 30 FHEDMO CCC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCCCO1 ZINC000173348037 940612783 /nfs/dbraw/zinc/61/27/83/940612783.db2.gz FNGUUURCTSQTLX-INIZCTEOSA-N 1 1 361.511 3.522 20 30 FHEDMO CCC[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCCCO1 ZINC000173348037 940612785 /nfs/dbraw/zinc/61/27/85/940612785.db2.gz FNGUUURCTSQTLX-INIZCTEOSA-N 1 1 361.511 3.522 20 30 FHEDMO C[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000431812682 940636972 /nfs/dbraw/zinc/63/69/72/940636972.db2.gz UPOUZZBCOUHBBH-GGPKGHCWSA-N 1 1 356.514 3.984 20 30 FHEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cccc(C)c2)c(OC)c1 ZINC000613381754 940652953 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20 30 FHEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000416692592 943036987 /nfs/dbraw/zinc/03/69/87/943036987.db2.gz TZXWMBXDZBXGSM-LAUBAEHRSA-N 1 1 368.525 3.747 20 30 FHEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C2)C1 ZINC000505568821 943048832 /nfs/dbraw/zinc/04/88/32/943048832.db2.gz NYMRGUUKNZLOCD-QHCPKHFHSA-N 1 1 374.488 3.860 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416699686 943050147 /nfs/dbraw/zinc/05/01/47/943050147.db2.gz YTAANUNHGPYWLY-LAUBAEHRSA-N 1 1 368.525 3.889 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000549960862 943068782 /nfs/dbraw/zinc/06/87/82/943068782.db2.gz AEJTZQWTZXQFEJ-XZOQPEGZSA-N 1 1 361.489 3.689 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000549960862 943068789 /nfs/dbraw/zinc/06/87/89/943068789.db2.gz AEJTZQWTZXQFEJ-XZOQPEGZSA-N 1 1 361.489 3.689 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2(c3cccc(C#N)c3)CC2)cc1F ZINC000435005799 943096571 /nfs/dbraw/zinc/09/65/71/943096571.db2.gz RAQHQDZYHFWNBN-UHFFFAOYSA-N 1 1 374.419 3.540 20 30 FHEDMO C[C@@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC[C@H]1c1ccccc1 ZINC000435027267 943111359 /nfs/dbraw/zinc/11/13/59/943111359.db2.gz LTSQAKJZIXRKAV-LZQZEXGQSA-N 1 1 365.502 3.851 20 30 FHEDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC[C@H]1c1ccccc1 ZINC000435027267 943111365 /nfs/dbraw/zinc/11/13/65/943111365.db2.gz LTSQAKJZIXRKAV-LZQZEXGQSA-N 1 1 365.502 3.851 20 30 FHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000435051953 943124623 /nfs/dbraw/zinc/12/46/23/943124623.db2.gz YPXQQOFXCSMPAQ-PKOBYXMFSA-N 1 1 354.837 3.915 20 30 FHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000435051953 943124629 /nfs/dbraw/zinc/12/46/29/943124629.db2.gz YPXQQOFXCSMPAQ-PKOBYXMFSA-N 1 1 354.837 3.915 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272503967 943166815 /nfs/dbraw/zinc/16/68/15/943166815.db2.gz DXRRCDWQQUNVIK-SFHVURJKSA-N 1 1 352.482 3.564 20 30 FHEDMO N#Cc1ccnc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000425284363 943187457 /nfs/dbraw/zinc/18/74/57/943187457.db2.gz QMXIICDOGGNJTQ-INIZCTEOSA-N 1 1 354.435 3.618 20 30 FHEDMO C=CCC(CC=C)C(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@@H+]1CC ZINC000503477593 943210981 /nfs/dbraw/zinc/21/09/81/943210981.db2.gz DBHVKIXGSCLIBN-FQEVSTJZSA-N 1 1 356.510 3.974 20 30 FHEDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H]1c1ccc(Cl)cc1 ZINC000430137254 943213910 /nfs/dbraw/zinc/21/39/10/943213910.db2.gz YKYCSCNKIWHOMN-DLBZAZTESA-N 1 1 360.866 3.662 20 30 FHEDMO N#Cc1cc(F)ccc1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000435161570 943216225 /nfs/dbraw/zinc/21/62/25/943216225.db2.gz DUEHPUGKPPLULK-UHFFFAOYSA-N 1 1 358.461 3.817 20 30 FHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)CCCOC(C)C)ccc1Cl ZINC000514762229 943274706 /nfs/dbraw/zinc/27/47/06/943274706.db2.gz JDANVXPFFBRULH-UHFFFAOYSA-N 1 1 365.905 3.642 20 30 FHEDMO N#Cc1cccc(C2([NH2+]Cc3cn4ccc(Br)cc4n3)CC2)c1 ZINC000514819243 943320680 /nfs/dbraw/zinc/32/06/80/943320680.db2.gz BLIFIPIJPCYAFT-UHFFFAOYSA-N 1 1 367.250 3.747 20 30 FHEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1)c1ccccc1 ZINC000503696493 943337148 /nfs/dbraw/zinc/33/71/48/943337148.db2.gz NKIJCFFRCWTREM-KRWDZBQOSA-N 1 1 351.425 3.562 20 30 FHEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@H](c2ccccc2F)C1)c1ccccc1 ZINC000503696493 943337151 /nfs/dbraw/zinc/33/71/51/943337151.db2.gz NKIJCFFRCWTREM-KRWDZBQOSA-N 1 1 351.425 3.562 20 30 FHEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H](c2ccccc2F)C1)c1ccccc1 ZINC000503696494 943337201 /nfs/dbraw/zinc/33/72/01/943337201.db2.gz NKIJCFFRCWTREM-QGZVFWFLSA-N 1 1 351.425 3.562 20 30 FHEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1)c1ccccc1 ZINC000503696494 943337205 /nfs/dbraw/zinc/33/72/05/943337205.db2.gz NKIJCFFRCWTREM-QGZVFWFLSA-N 1 1 351.425 3.562 20 30 FHEDMO CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000435355664 943352663 /nfs/dbraw/zinc/35/26/63/943352663.db2.gz PKZNLFYSZXNZCD-QFIPXVFZSA-N 1 1 373.500 3.713 20 30 FHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c3cccnc23)c1 ZINC000053207445 943355421 /nfs/dbraw/zinc/35/54/21/943355421.db2.gz FMJRFEMOTNUAAL-UHFFFAOYSA-N 1 1 363.848 3.940 20 30 FHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c3cccnc23)c1 ZINC000053207445 943355428 /nfs/dbraw/zinc/35/54/28/943355428.db2.gz FMJRFEMOTNUAAL-UHFFFAOYSA-N 1 1 363.848 3.940 20 30 FHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000505689632 943391028 /nfs/dbraw/zinc/39/10/28/943391028.db2.gz IQNHEQRYEOGWHL-JKSUJKDBSA-N 1 1 358.486 3.730 20 30 FHEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000365887693 943402905 /nfs/dbraw/zinc/40/29/05/943402905.db2.gz TWUAHBLZPIIKDL-GOSISDBHSA-N 1 1 373.416 3.767 20 30 FHEDMO C=CCCc1ccccc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000504277622 943569355 /nfs/dbraw/zinc/56/93/55/943569355.db2.gz WNCQUFRZSGFVNZ-UHFFFAOYSA-N 1 1 363.505 3.562 20 30 FHEDMO CC[C@@](C)(C#N)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000504580293 943677129 /nfs/dbraw/zinc/67/71/29/943677129.db2.gz RZIHRKYOGHMOBS-QHCPKHFHSA-N 1 1 361.489 3.860 20 30 FHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000435790855 943759783 /nfs/dbraw/zinc/75/97/83/943759783.db2.gz OCZQOZSAXBHMTE-UHFFFAOYSA-N 1 1 350.510 3.980 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000515307916 943773626 /nfs/dbraw/zinc/77/36/26/943773626.db2.gz BESSDEGWTXDZFY-QGZVFWFLSA-N 1 1 367.518 3.836 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000515307916 943773631 /nfs/dbraw/zinc/77/36/31/943773631.db2.gz BESSDEGWTXDZFY-QGZVFWFLSA-N 1 1 367.518 3.836 20 30 FHEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437409750 943783102 /nfs/dbraw/zinc/78/31/02/943783102.db2.gz KPEVDSHPHKUPKD-UHFFFAOYSA-N 1 1 350.340 3.810 20 30 FHEDMO C=CCn1cc(C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)nn1 ZINC000424290930 943822294 /nfs/dbraw/zinc/82/22/94/943822294.db2.gz CQRDWNDVSAUIEZ-HNNXBMFYSA-N 1 1 367.678 3.657 20 30 FHEDMO C=CCn1cc(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)nn1 ZINC000424294307 943823286 /nfs/dbraw/zinc/82/32/86/943823286.db2.gz KNJATEGKHHSPEM-INIZCTEOSA-N 1 1 351.479 3.755 20 30 FHEDMO C=CCn1cc(C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)nn1 ZINC000424299722 943826336 /nfs/dbraw/zinc/82/63/36/943826336.db2.gz WDRNGNVWPJOPIZ-MRXNPFEDSA-N 1 1 369.469 3.894 20 30 FHEDMO C=CCn1cc(C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)nn1 ZINC000424299721 943826394 /nfs/dbraw/zinc/82/63/94/943826394.db2.gz WDRNGNVWPJOPIZ-INIZCTEOSA-N 1 1 369.469 3.894 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2[C@H](C)CC[C@@H]2C)c1C#N ZINC000123015538 943829623 /nfs/dbraw/zinc/82/96/23/943829623.db2.gz LXFNPEZWASUCFZ-GASCZTMLSA-N 1 1 368.481 3.819 20 30 FHEDMO C=CCc1cc(CN2CC[NH+](Cc3cccs3)CC2)cc(OC)c1O ZINC000506051249 943831962 /nfs/dbraw/zinc/83/19/62/943831962.db2.gz LBXOVDCOCWUGSM-UHFFFAOYSA-N 1 1 358.507 3.509 20 30 FHEDMO N#CCCC1CC[NH+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 ZINC000563066130 943870802 /nfs/dbraw/zinc/87/08/02/943870802.db2.gz JXTQVVJOEGSHHH-UHFFFAOYSA-N 1 1 367.415 3.593 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000506061532 943871691 /nfs/dbraw/zinc/87/16/91/943871691.db2.gz NSLBDIKBFIHMDP-LEWJYISDSA-N 1 1 367.489 3.653 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425425162 943874922 /nfs/dbraw/zinc/87/49/22/943874922.db2.gz OIMYIGVGZDUBGF-KSZLIROESA-N 1 1 356.514 3.629 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000425424831 943886369 /nfs/dbraw/zinc/88/63/69/943886369.db2.gz NVEQKRURDIAAJU-ZWKOTPCHSA-N 1 1 356.514 3.915 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1C ZINC000437534741 943896336 /nfs/dbraw/zinc/89/63/36/943896336.db2.gz IYYDVRHZDAPNFN-WOJBJXKFSA-N 1 1 371.550 3.910 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1C ZINC000437534741 943896340 /nfs/dbraw/zinc/89/63/40/943896340.db2.gz IYYDVRHZDAPNFN-WOJBJXKFSA-N 1 1 371.550 3.910 20 30 FHEDMO Cc1cccc(NC2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)c1 ZINC000153019956 943944602 /nfs/dbraw/zinc/94/46/02/943944602.db2.gz KLLUIJIENLOCKI-UHFFFAOYSA-N 1 1 368.525 3.556 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1 ZINC000515505551 943956743 /nfs/dbraw/zinc/95/67/43/943956743.db2.gz FFYWQCRSRLXMJL-IRXDYDNUSA-N 1 1 363.452 3.916 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@@H](C)C2)c1 ZINC000515505551 943956747 /nfs/dbraw/zinc/95/67/47/943956747.db2.gz FFYWQCRSRLXMJL-IRXDYDNUSA-N 1 1 363.452 3.916 20 30 FHEDMO CCc1ccc(C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C2CC2)cc1 ZINC000515548015 943981794 /nfs/dbraw/zinc/98/17/94/943981794.db2.gz BPDLTVJVUFPKIB-NRFANRHFSA-N 1 1 350.462 3.525 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000436079104 944013261 /nfs/dbraw/zinc/01/32/61/944013261.db2.gz DMYJOXRVCLAMLF-UHFFFAOYSA-N 1 1 359.429 3.571 20 30 FHEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425464852 944015606 /nfs/dbraw/zinc/01/56/06/944015606.db2.gz AFIUOHHEQLGTJV-PXNSSMCTSA-N 1 1 356.514 3.771 20 30 FHEDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000517132598 944033786 /nfs/dbraw/zinc/03/37/86/944033786.db2.gz YJEMGDRJVGGULC-KRWDZBQOSA-N 1 1 350.422 3.566 20 30 FHEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000424686114 944046877 /nfs/dbraw/zinc/04/68/77/944046877.db2.gz ULCXJTWMOMSMDZ-PZJWPPBQSA-N 1 1 370.537 3.871 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC3CCCCC3)CC2)cc1 ZINC000505109511 944057800 /nfs/dbraw/zinc/05/78/00/944057800.db2.gz VKQCLPGSPLCGRZ-UHFFFAOYSA-N 1 1 368.525 3.746 20 30 FHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1C(=O)N(C)C ZINC000418053741 944096875 /nfs/dbraw/zinc/09/68/75/944096875.db2.gz DAJURHOSRREULA-UHFFFAOYSA-N 1 1 354.498 3.744 20 30 FHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1C(=O)N(C)C ZINC000418053741 944096881 /nfs/dbraw/zinc/09/68/81/944096881.db2.gz DAJURHOSRREULA-UHFFFAOYSA-N 1 1 354.498 3.744 20 30 FHEDMO N#C[C@@]1(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)CC12CCCC2 ZINC000517216250 944112274 /nfs/dbraw/zinc/11/22/74/944112274.db2.gz NVFCVTMPLLZDAB-LJQANCHMSA-N 1 1 358.511 3.932 20 30 FHEDMO C[C@@H]([NH2+]C1CCN(CC#N)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000925005196 944137267 /nfs/dbraw/zinc/13/72/67/944137267.db2.gz ZLXOUGCBFMJXAP-GFCCVEGCSA-N 1 1 372.257 3.507 20 30 FHEDMO N#Cc1ccc(CSCC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000437843026 944157099 /nfs/dbraw/zinc/15/70/99/944157099.db2.gz MOKQJWGDXBXIPZ-FQEVSTJZSA-N 1 1 371.550 3.705 20 30 FHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)nc1 ZINC000517272299 944160157 /nfs/dbraw/zinc/16/01/57/944160157.db2.gz YQZDJMDAKBAUPJ-KRWDZBQOSA-N 1 1 362.458 3.730 20 30 FHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)nc1 ZINC000517272299 944160164 /nfs/dbraw/zinc/16/01/64/944160164.db2.gz YQZDJMDAKBAUPJ-KRWDZBQOSA-N 1 1 362.458 3.730 20 30 FHEDMO N#CC[C@H](CC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000437851772 944165824 /nfs/dbraw/zinc/16/58/24/944165824.db2.gz PIJAKJHKVXJLSF-TZIWHRDSSA-N 1 1 353.510 3.987 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500172906 944210294 /nfs/dbraw/zinc/21/02/94/944210294.db2.gz RFQAJTCQJCLXSV-GOSISDBHSA-N 1 1 365.880 3.655 20 30 FHEDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000425528933 944238538 /nfs/dbraw/zinc/23/85/38/944238538.db2.gz AAJFTNVYQXASJA-AWEZNQCLSA-N 1 1 355.394 3.547 20 30 FHEDMO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000431971865 944239116 /nfs/dbraw/zinc/23/91/16/944239116.db2.gz VFTTUTBFPZEOGK-UHFFFAOYSA-N 1 1 362.433 3.734 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000425530365 944251789 /nfs/dbraw/zinc/25/17/89/944251789.db2.gz FABSCEINDYGWDN-OAHLLOKOSA-N 1 1 353.491 3.588 20 30 FHEDMO Cn1cc([C@H]2C[N@H+](Cc3ccc(Br)cc3C#N)CC2(C)C)cn1 ZINC000517387502 944261433 /nfs/dbraw/zinc/26/14/33/944261433.db2.gz IBGBAFZBPVHLCE-QGZVFWFLSA-N 1 1 373.298 3.680 20 30 FHEDMO Cn1cc([C@H]2C[N@@H+](Cc3ccc(Br)cc3C#N)CC2(C)C)cn1 ZINC000517387502 944261440 /nfs/dbraw/zinc/26/14/40/944261440.db2.gz IBGBAFZBPVHLCE-QGZVFWFLSA-N 1 1 373.298 3.680 20 30 FHEDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@H+]1C ZINC000438061999 944321502 /nfs/dbraw/zinc/32/15/02/944321502.db2.gz VQSDCSSPMCRVDF-MAUKXSAKSA-N 1 1 364.449 3.955 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCCNc1cccc([C@H](C#N)C(=O)OC(C)(C)C)n1 ZINC001167750876 944334359 /nfs/dbraw/zinc/33/43/59/944334359.db2.gz FDRXAKNCSJMMEJ-IRXDYDNUSA-N 1 1 372.513 3.707 20 30 FHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000894636656 944345871 /nfs/dbraw/zinc/34/58/71/944345871.db2.gz ZYNXOBCUYZRZKM-KRWDZBQOSA-N 1 1 361.283 3.712 20 30 FHEDMO CCCCC(N)=[NH+]OCc1nc(-c2cc(Br)cs2)no1 ZINC000123394359 944355357 /nfs/dbraw/zinc/35/53/57/944355357.db2.gz HALMENSGXCITIN-UHFFFAOYSA-N 1 1 359.249 3.540 20 30 FHEDMO CC(C)c1ncc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cn1 ZINC000440469461 944501835 /nfs/dbraw/zinc/50/18/35/944501835.db2.gz ZLGIWYZYOOPZGC-UHFFFAOYSA-N 1 1 360.465 3.504 20 30 FHEDMO CC(C)c1ncc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cn1 ZINC000440469461 944501837 /nfs/dbraw/zinc/50/18/37/944501837.db2.gz ZLGIWYZYOOPZGC-UHFFFAOYSA-N 1 1 360.465 3.504 20 30 FHEDMO C[N@H+]1CCC[C@H](CNc2c(C#N)cnc3c(Br)cccc32)C1 ZINC000584568588 944534181 /nfs/dbraw/zinc/53/41/81/944534181.db2.gz VMNRZFOOZIYBPT-GFCCVEGCSA-N 1 1 359.271 3.623 20 30 FHEDMO Cc1noc2ncc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)cc12 ZINC000894749104 944536289 /nfs/dbraw/zinc/53/62/89/944536289.db2.gz ATBQBHCKHKQULO-UHFFFAOYSA-N 1 1 366.396 3.585 20 30 FHEDMO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)c1ccccc1 ZINC000426356218 944543689 /nfs/dbraw/zinc/54/36/89/944543689.db2.gz HYNUAABJOZSKQK-HNNXBMFYSA-N 1 1 371.506 3.885 20 30 FHEDMO COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)c1ccccc1 ZINC000426356218 944543696 /nfs/dbraw/zinc/54/36/96/944543696.db2.gz HYNUAABJOZSKQK-HNNXBMFYSA-N 1 1 371.506 3.885 20 30 FHEDMO Cc1cccc(C2=CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000092821953 944545575 /nfs/dbraw/zinc/54/55/75/944545575.db2.gz BBHGTGYHESQKJW-JOCHJYFZSA-N 1 1 362.473 3.590 20 30 FHEDMO N#Cc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1Cl ZINC000517733890 944546742 /nfs/dbraw/zinc/54/67/42/944546742.db2.gz FCNXCSGDCFLWNQ-AZUAARDMSA-N 1 1 365.864 3.558 20 30 FHEDMO C=CCN1CC[C@@H]([N@@H+](CC)[C@@H](C)Cc2ccccc2C(F)(F)F)C1=O ZINC000499771270 944578318 /nfs/dbraw/zinc/57/83/18/944578318.db2.gz HXPJIVAOTNHMQB-WMLDXEAASA-N 1 1 354.416 3.745 20 30 FHEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439445980 944628958 /nfs/dbraw/zinc/62/89/58/944628958.db2.gz ZCTKWTJZZZVQJO-CQSZACIVSA-N 1 1 351.841 3.985 20 30 FHEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439445980 944628961 /nfs/dbraw/zinc/62/89/61/944628961.db2.gz ZCTKWTJZZZVQJO-CQSZACIVSA-N 1 1 351.841 3.985 20 30 FHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(c3ccccc3)C2)c(C#N)c1C ZINC000438484634 944665210 /nfs/dbraw/zinc/66/52/10/944665210.db2.gz JDRJXHYSAMINSA-VFNWGFHPSA-N 1 1 351.450 3.759 20 30 FHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C)(c3ccccc3)C2)c(C#N)c1C ZINC000438484634 944665214 /nfs/dbraw/zinc/66/52/14/944665214.db2.gz JDRJXHYSAMINSA-VFNWGFHPSA-N 1 1 351.450 3.759 20 30 FHEDMO CSCCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000439482967 944685035 /nfs/dbraw/zinc/68/50/35/944685035.db2.gz CGDNPESISIYTLS-UHFFFAOYSA-N 1 1 370.522 3.589 20 30 FHEDMO CSCCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000439482967 944685040 /nfs/dbraw/zinc/68/50/40/944685040.db2.gz CGDNPESISIYTLS-UHFFFAOYSA-N 1 1 370.522 3.589 20 30 FHEDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000438499016 944695424 /nfs/dbraw/zinc/69/54/24/944695424.db2.gz ZETWGHMUTBVDSS-SFHVURJKSA-N 1 1 364.493 3.695 20 30 FHEDMO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000506260690 944713358 /nfs/dbraw/zinc/71/33/58/944713358.db2.gz ZCHOKFSKVYPTBO-UHFFFAOYSA-N 1 1 362.408 3.675 20 30 FHEDMO C=CCN(CC=C)C(=O)C[N@@H+](Cc1cccc(Br)c1)C(C)C ZINC000517856111 944735885 /nfs/dbraw/zinc/73/58/85/944735885.db2.gz DALWDVLHORROSS-UHFFFAOYSA-N 1 1 365.315 3.860 20 30 FHEDMO C=CCOc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1OC ZINC000506615210 944756699 /nfs/dbraw/zinc/75/66/99/944756699.db2.gz JDTHRXIXVROBDM-UHFFFAOYSA-N 1 1 373.884 3.631 20 30 FHEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000458809445 944762296 /nfs/dbraw/zinc/76/22/96/944762296.db2.gz AIXKHWWFUWETFX-MMKMLUHNSA-N 1 1 368.525 3.793 20 30 FHEDMO COc1ccccc1N1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000566777295 944805291 /nfs/dbraw/zinc/80/52/91/944805291.db2.gz JSEJICVLEVUEIL-HXUWFJFHSA-N 1 1 363.461 3.583 20 30 FHEDMO Cc1ccc(F)c(N2CCC[C@H]([N@H+](C)Cc3ccc(C#N)cc3)C2=O)c1 ZINC000518831055 944821671 /nfs/dbraw/zinc/82/16/71/944821671.db2.gz BQCICJKVFQZYAZ-IBGZPJMESA-N 1 1 351.425 3.633 20 30 FHEDMO Cc1ccc(F)c(N2CCC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2=O)c1 ZINC000518831055 944821677 /nfs/dbraw/zinc/82/16/77/944821677.db2.gz BQCICJKVFQZYAZ-IBGZPJMESA-N 1 1 351.425 3.633 20 30 FHEDMO CN(C)c1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc[nH+]1 ZINC000500416135 944823092 /nfs/dbraw/zinc/82/30/92/944823092.db2.gz NGBPPSCWJMEFOS-UHFFFAOYSA-N 1 1 372.428 3.851 20 30 FHEDMO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1)[C@H]1CCCC1(C)C)C1CC1 ZINC000426836070 944855303 /nfs/dbraw/zinc/85/53/03/944855303.db2.gz SXQQQFUPDOIINA-UGKGYDQZSA-N 1 1 353.510 3.876 20 30 FHEDMO C[N@@H+](CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCCC1 ZINC000438630736 944864970 /nfs/dbraw/zinc/86/49/70/944864970.db2.gz UQFUOVDNLOPQNA-UHFFFAOYSA-N 1 1 354.376 3.573 20 30 FHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H]3CCC[C@H]32)c1C#N ZINC000426482333 944929039 /nfs/dbraw/zinc/92/90/39/944929039.db2.gz KTHCDRWJCUTHBO-QFBILLFUSA-N 1 1 354.498 3.905 20 30 FHEDMO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3ccnc4ccccc43)CC2)cc1 ZINC000516488439 944932617 /nfs/dbraw/zinc/93/26/17/944932617.db2.gz CXQZTERDHZJBFH-QFIPXVFZSA-N 1 1 370.456 3.512 20 30 FHEDMO N#Cc1ccc(Cl)c(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000505938664 944947095 /nfs/dbraw/zinc/94/70/95/944947095.db2.gz ORFPRRXJOCXDJN-UHFFFAOYSA-N 1 1 371.843 3.699 20 30 FHEDMO N#Cc1ccc(Cl)c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000505938664 944947098 /nfs/dbraw/zinc/94/70/98/944947098.db2.gz ORFPRRXJOCXDJN-UHFFFAOYSA-N 1 1 371.843 3.699 20 30 FHEDMO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CC[C@H](O)CC1 ZINC000439786211 944968941 /nfs/dbraw/zinc/96/89/41/944968941.db2.gz IEWQIURKXHBDML-MEMLXQNLSA-N 1 1 350.462 3.873 20 30 FHEDMO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000426995590 944986679 /nfs/dbraw/zinc/98/66/79/944986679.db2.gz RQXBVQZHSKFHGP-OAHLLOKOSA-N 1 1 369.490 3.673 20 30 FHEDMO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000426995590 944986689 /nfs/dbraw/zinc/98/66/89/944986689.db2.gz RQXBVQZHSKFHGP-OAHLLOKOSA-N 1 1 369.490 3.673 20 30 FHEDMO Cc1cccc(N2CCC(NC(=O)Nc3ccc(C#N)cc3Cl)CC2)[nH+]1 ZINC000426140471 944998672 /nfs/dbraw/zinc/99/86/72/944998672.db2.gz YWJZJOLDHNACQQ-UHFFFAOYSA-N 1 1 369.856 3.706 20 30 FHEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427022488 945020527 /nfs/dbraw/zinc/02/05/27/945020527.db2.gz NDCVMLWDGYANAX-QGZVFWFLSA-N 1 1 366.427 3.685 20 30 FHEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000438783280 945026779 /nfs/dbraw/zinc/02/67/79/945026779.db2.gz PECURASTBQXNLU-SFHVURJKSA-N 1 1 367.880 3.746 20 30 FHEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000438783277 945026853 /nfs/dbraw/zinc/02/68/53/945026853.db2.gz PECURASTBQXNLU-GOSISDBHSA-N 1 1 367.880 3.746 20 30 FHEDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000426167271 945050487 /nfs/dbraw/zinc/05/04/87/945050487.db2.gz SGPLRHWGPAANMD-YOEHRIQHSA-N 1 1 368.868 3.996 20 30 FHEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000507612456 945375241 /nfs/dbraw/zinc/37/52/41/945375241.db2.gz CJQIRBOHGJZPRI-FXAWDEMLSA-N 1 1 350.462 3.817 20 30 FHEDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000330223622 945410928 /nfs/dbraw/zinc/41/09/28/945410928.db2.gz NELHWAOVYGZIOS-WOJBJXKFSA-N 1 1 371.525 3.646 20 30 FHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCOc1ccc(C#N)cc1 ZINC000507667151 945418587 /nfs/dbraw/zinc/41/85/87/945418587.db2.gz AUTOCDDYAJNPRJ-UHFFFAOYSA-N 1 1 360.461 3.892 20 30 FHEDMO C=CC[C@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC000426637068 945425566 /nfs/dbraw/zinc/42/55/66/945425566.db2.gz JZLGPMQLMHTQRD-FQEVSTJZSA-N 1 1 354.519 3.795 20 30 FHEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CCOC4(CCC4)C3)CC2)cs1 ZINC000330255799 945428122 /nfs/dbraw/zinc/42/81/22/945428122.db2.gz KCZWJHITRDRTDZ-MRXNPFEDSA-N 1 1 363.527 3.722 20 30 FHEDMO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330260569 945431955 /nfs/dbraw/zinc/43/19/55/945431955.db2.gz SSZAQMKYWKGDTJ-BQFCYCMXSA-N 1 1 360.498 3.850 20 30 FHEDMO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000330281155 945444504 /nfs/dbraw/zinc/44/45/04/945444504.db2.gz UFQIXGYBMHREAG-DZGCQCFKSA-N 1 1 351.516 3.525 20 30 FHEDMO CCNC(=O)N1CCc2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc21 ZINC000330287171 945446761 /nfs/dbraw/zinc/44/67/61/945446761.db2.gz CDMSZZMTIPLOGA-QGZVFWFLSA-N 1 1 358.486 3.836 20 30 FHEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000519493660 945475439 /nfs/dbraw/zinc/47/54/39/945475439.db2.gz MUNRILJCLJHLRE-MRXNPFEDSA-N 1 1 369.465 3.580 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2cccc(F)c2C#N)C[C@H](C)O1 ZINC000427532157 945483342 /nfs/dbraw/zinc/48/33/42/945483342.db2.gz WUOCRYRPNUENPH-IYBDPMFKSA-N 1 1 353.441 3.919 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2cccc(F)c2C#N)C[C@H](C)O1 ZINC000427532157 945483349 /nfs/dbraw/zinc/48/33/49/945483349.db2.gz WUOCRYRPNUENPH-IYBDPMFKSA-N 1 1 353.441 3.919 20 30 FHEDMO CC1(C#N)CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000507713737 945488616 /nfs/dbraw/zinc/48/86/16/945488616.db2.gz LNSGEEFCHDWAIA-UHFFFAOYSA-N 1 1 359.271 3.760 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000660801157 945514522 /nfs/dbraw/zinc/51/45/22/945514522.db2.gz ONOUKNBROOKBAW-MJUUVYJYSA-N 1 1 353.510 3.790 20 30 FHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000330316295 945538145 /nfs/dbraw/zinc/53/81/45/945538145.db2.gz ZFVRMWNKBHUETD-WBVHZDCISA-N 1 1 361.461 3.542 20 30 FHEDMO C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1cccc(C#N)c1 ZINC000281249650 945565796 /nfs/dbraw/zinc/56/57/96/945565796.db2.gz VVHAFMVOYHDIJR-LRDDRELGSA-N 1 1 350.340 3.841 20 30 FHEDMO CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C#N)[C@@H]2C1 ZINC001270804374 945566817 /nfs/dbraw/zinc/56/68/17/945566817.db2.gz PBEZAIGYOSDICG-SLYNCCJLSA-N 1 1 353.510 3.921 20 30 FHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)Cc1ccsc1 ZINC000187799045 945599023 /nfs/dbraw/zinc/59/90/23/945599023.db2.gz AJOCNBGROKZFAB-QGZVFWFLSA-N 1 1 355.507 3.948 20 30 FHEDMO C=CC[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000661001773 945633602 /nfs/dbraw/zinc/63/36/02/945633602.db2.gz KGRVWJDPLBCOPA-SFHLNBCPSA-N 1 1 355.526 3.895 20 30 FHEDMO CC1(C)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]2CCC[C@H]21 ZINC000550071352 945709903 /nfs/dbraw/zinc/70/99/03/945709903.db2.gz YNYIFGOFZCNPKI-CVEARBPZSA-N 1 1 357.523 3.948 20 30 FHEDMO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1OC ZINC000519907198 945874187 /nfs/dbraw/zinc/87/41/87/945874187.db2.gz PEJNKVWZDXXICU-KRWDZBQOSA-N 1 1 365.477 3.656 20 30 FHEDMO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1OC ZINC000519907198 945874198 /nfs/dbraw/zinc/87/41/98/945874198.db2.gz PEJNKVWZDXXICU-KRWDZBQOSA-N 1 1 365.477 3.656 20 30 FHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc(C#N)cc1Cl ZINC000439692255 945884025 /nfs/dbraw/zinc/88/40/25/945884025.db2.gz JBTIAXZBAFIGTH-QGZVFWFLSA-N 1 1 354.885 3.955 20 30 FHEDMO COc1ccc([C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)cc1OC ZINC000281891146 945904438 /nfs/dbraw/zinc/90/44/38/945904438.db2.gz DVUAXJOGUPZOIH-GOSISDBHSA-N 1 1 358.482 3.941 20 30 FHEDMO N#CC1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000281911316 945916981 /nfs/dbraw/zinc/91/69/81/945916981.db2.gz RHNZGTXFFOFSFC-ABHNRTSZSA-N 1 1 374.554 3.589 20 30 FHEDMO N#CC(CCSCC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000193067075 945956812 /nfs/dbraw/zinc/95/68/12/945956812.db2.gz BXBHQIBQVYXFJE-UHFFFAOYSA-N 1 1 366.530 3.952 20 30 FHEDMO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000507733310 946087751 /nfs/dbraw/zinc/08/77/51/946087751.db2.gz QWPOJOVHJSCRNB-INIZCTEOSA-N 1 1 371.431 3.594 20 30 FHEDMO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000507733311 946088332 /nfs/dbraw/zinc/08/83/32/946088332.db2.gz QWPOJOVHJSCRNB-MRXNPFEDSA-N 1 1 371.431 3.594 20 30 FHEDMO Cc1ccccc1C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000520170073 946220474 /nfs/dbraw/zinc/22/04/74/946220474.db2.gz YPIAFLASPGVTFO-HSZRJFAPSA-N 1 1 361.489 3.806 20 30 FHEDMO Cc1ccccc1C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000520170073 946220484 /nfs/dbraw/zinc/22/04/84/946220484.db2.gz YPIAFLASPGVTFO-HSZRJFAPSA-N 1 1 361.489 3.806 20 30 FHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000151887471 946294573 /nfs/dbraw/zinc/29/45/73/946294573.db2.gz ATULEUNMDNGUCL-HDICACEKSA-N 1 1 371.525 3.590 20 30 FHEDMO C=CCn1c(C(C)C)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000508482605 946313704 /nfs/dbraw/zinc/31/37/04/946313704.db2.gz YZUSALROVKNLBQ-UHFFFAOYSA-N 1 1 359.562 3.926 20 30 FHEDMO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741328 946320578 /nfs/dbraw/zinc/32/05/78/946320578.db2.gz AXABFSSGWWXAJI-AWEZNQCLSA-N 1 1 367.405 3.916 20 30 FHEDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741328 946320586 /nfs/dbraw/zinc/32/05/86/946320586.db2.gz AXABFSSGWWXAJI-AWEZNQCLSA-N 1 1 367.405 3.916 20 30 FHEDMO C[C@@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)C[NH+]1CCCC1 ZINC000237416088 946360887 /nfs/dbraw/zinc/36/08/87/946360887.db2.gz JZOQWNGJEGKMCO-IBGZPJMESA-N 1 1 363.505 3.959 20 30 FHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1C ZINC000661664781 946394226 /nfs/dbraw/zinc/39/42/26/946394226.db2.gz LHXQFJLHFGGGKE-LEWJYISDSA-N 1 1 366.505 3.572 20 30 FHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1C ZINC000661664781 946394242 /nfs/dbraw/zinc/39/42/42/946394242.db2.gz LHXQFJLHFGGGKE-LEWJYISDSA-N 1 1 366.505 3.572 20 30 FHEDMO CC[N@@H+]1CCC[C@@H](CNCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905668 946504573 /nfs/dbraw/zinc/50/45/73/946504573.db2.gz JMVDGQWYOIZRHC-FQEVSTJZSA-N 1 1 363.505 3.959 20 30 FHEDMO CC[N@H+]1CCC[C@@H](CNCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905668 946504584 /nfs/dbraw/zinc/50/45/84/946504584.db2.gz JMVDGQWYOIZRHC-FQEVSTJZSA-N 1 1 363.505 3.959 20 30 FHEDMO CC[N@@H+]1CCC[C@H](CNCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905667 946505277 /nfs/dbraw/zinc/50/52/77/946505277.db2.gz JMVDGQWYOIZRHC-HXUWFJFHSA-N 1 1 363.505 3.959 20 30 FHEDMO CC[N@H+]1CCC[C@H](CNCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905667 946505284 /nfs/dbraw/zinc/50/52/84/946505284.db2.gz JMVDGQWYOIZRHC-HXUWFJFHSA-N 1 1 363.505 3.959 20 30 FHEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000186162114 946548332 /nfs/dbraw/zinc/54/83/32/946548332.db2.gz WHRUCOVCOUQBHQ-UHFFFAOYSA-N 1 1 359.473 3.924 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(Br)c1 ZINC000186626573 946752437 /nfs/dbraw/zinc/75/24/37/946752437.db2.gz CVTWYWIBCNUNCB-IBGZPJMESA-N 1 1 369.262 3.952 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(Br)c1 ZINC000186626573 946752442 /nfs/dbraw/zinc/75/24/42/946752442.db2.gz CVTWYWIBCNUNCB-IBGZPJMESA-N 1 1 369.262 3.952 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC#Cc2ccccc2)cc1 ZINC000444334854 946824000 /nfs/dbraw/zinc/82/40/00/946824000.db2.gz DIHSBNVMJFRNNE-KRWDZBQOSA-N 1 1 358.445 3.593 20 30 FHEDMO Cc1cnc([C@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000328618843 946959846 /nfs/dbraw/zinc/95/98/46/946959846.db2.gz VLTSTDCDPCVCHL-RHSMWYFYSA-N 1 1 364.559 3.856 20 30 FHEDMO CC1CCC(NC(=O)CN2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000328651493 946965398 /nfs/dbraw/zinc/96/53/98/946965398.db2.gz JVURFNISZIAZRC-LXPRWKDFSA-N 1 1 358.530 3.934 20 30 FHEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCn3ccnc3C1)CCCCC2 ZINC000328659520 946969693 /nfs/dbraw/zinc/96/96/93/946969693.db2.gz SXLRAHNETSVGFO-UHFFFAOYSA-N 1 1 369.494 3.579 20 30 FHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCn3ccnc3C1)CCCCC2 ZINC000328659520 946969696 /nfs/dbraw/zinc/96/96/96/946969696.db2.gz SXLRAHNETSVGFO-UHFFFAOYSA-N 1 1 369.494 3.579 20 30 FHEDMO Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)CCC2 ZINC000328663751 946970556 /nfs/dbraw/zinc/97/05/56/946970556.db2.gz YDINDTYBJXBXKO-OALUTQOASA-N 1 1 352.482 3.690 20 30 FHEDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccnc(Sc3ccccn3)c2)CC[N@H+]1C ZINC000328600485 946978053 /nfs/dbraw/zinc/97/80/53/946978053.db2.gz DATHHBZOILBBBG-HOCLYGCPSA-N 1 1 371.510 3.588 20 30 FHEDMO C=CCn1c(CC(C)C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508475245 946983442 /nfs/dbraw/zinc/98/34/42/946983442.db2.gz YBSHMJHYOKBODB-RTBURBONSA-N 1 1 359.562 3.753 20 30 FHEDMO Cn1ncc2c1C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)CC2 ZINC000328687823 946987996 /nfs/dbraw/zinc/98/79/96/946987996.db2.gz ZIZZNKMZGJOAPT-DKSSEZFCSA-N 1 1 372.900 3.580 20 30 FHEDMO Cn1ncc2c1C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)CC2 ZINC000328687823 946988001 /nfs/dbraw/zinc/98/80/01/946988001.db2.gz ZIZZNKMZGJOAPT-DKSSEZFCSA-N 1 1 372.900 3.580 20 30 FHEDMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328690565 946989691 /nfs/dbraw/zinc/98/96/91/946989691.db2.gz BSYSPICNTPCLAC-NBYUQASBSA-N 1 1 374.525 3.957 20 30 FHEDMO C[C@@H]1C[C@H](NC(=O)c2coc(C3CCOCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000328743509 947006978 /nfs/dbraw/zinc/00/69/78/947006978.db2.gz NLOPKKYMKVFUMC-QAPCUYQASA-N 1 1 369.465 3.536 20 30 FHEDMO CCc1nc(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)sc1C ZINC000328753168 947010606 /nfs/dbraw/zinc/01/06/06/947010606.db2.gz SDQFDRCGWWJJEW-JWZBEHFJSA-N 1 1 365.543 3.863 20 30 FHEDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328809659 947030891 /nfs/dbraw/zinc/03/08/91/947030891.db2.gz ODQBHSCZAFHAJR-GOEBONIOSA-N 1 1 358.442 3.531 20 30 FHEDMO CC(C)C[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H](O)c1ccc(F)cc1 ZINC000281999286 947039787 /nfs/dbraw/zinc/03/97/87/947039787.db2.gz NLDCRMKLOSMTQU-HXUWFJFHSA-N 1 1 362.489 3.918 20 30 FHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1 ZINC000328823733 947040203 /nfs/dbraw/zinc/04/02/03/947040203.db2.gz IMMGQYQFHAJHQS-NXHRZFHOSA-N 1 1 363.465 3.918 20 30 FHEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C ZINC000328826038 947042632 /nfs/dbraw/zinc/04/26/32/947042632.db2.gz QCGJCWUINSXONW-GDBMZVCRSA-N 1 1 358.486 3.538 20 30 FHEDMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328838125 947059058 /nfs/dbraw/zinc/05/90/58/947059058.db2.gz NHUUIULXRXEQSQ-WBVHZDCISA-N 1 1 353.466 3.960 20 30 FHEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328947024 947097664 /nfs/dbraw/zinc/09/76/64/947097664.db2.gz VRKPICOZZDMSIS-WOJBJXKFSA-N 1 1 370.472 3.754 20 30 FHEDMO C[N@H+]1C[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)[C@@H](c2ccccc2)C1 ZINC000328950263 947098562 /nfs/dbraw/zinc/09/85/62/947098562.db2.gz WWKOODCITCPBJJ-MJGOQNOKSA-N 1 1 366.509 3.918 20 30 FHEDMO O=C(COc1ccc(Cl)c2cccnc12)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328955033 947100938 /nfs/dbraw/zinc/10/09/38/947100938.db2.gz YREULJBPXMDLHJ-CVEARBPZSA-N 1 1 359.857 3.850 20 30 FHEDMO Cc1c(Cl)cccc1N1CCC[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000328907728 947104019 /nfs/dbraw/zinc/10/40/19/947104019.db2.gz LSIYCUGICLWMFB-HNNXBMFYSA-N 1 1 373.888 3.627 20 30 FHEDMO Cc1c(Cl)cccc1N1CCC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000328907728 947104026 /nfs/dbraw/zinc/10/40/26/947104026.db2.gz LSIYCUGICLWMFB-HNNXBMFYSA-N 1 1 373.888 3.627 20 30 FHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000328919734 947108970 /nfs/dbraw/zinc/10/89/70/947108970.db2.gz BRRGOSHYWVNDMV-ZACQAIPSSA-N 1 1 362.518 3.590 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000049789980 947154777 /nfs/dbraw/zinc/15/47/77/947154777.db2.gz JFGRAMQAZMXXKJ-SFHVURJKSA-N 1 1 373.522 3.757 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330531016 947211777 /nfs/dbraw/zinc/21/17/77/947211777.db2.gz GODAACMHTJXFMV-LBPRGKRZSA-N 1 1 360.424 3.836 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000662083280 947218975 /nfs/dbraw/zinc/21/89/75/947218975.db2.gz BBDXBUFTXUTUDF-FUHIMQAGSA-N 1 1 370.493 3.550 20 30 FHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330603150 947224096 /nfs/dbraw/zinc/22/40/96/947224096.db2.gz HRRMVAHKPDMKQF-PLMTUMEDSA-N 1 1 357.498 3.523 20 30 FHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330603150 947224105 /nfs/dbraw/zinc/22/41/05/947224105.db2.gz HRRMVAHKPDMKQF-PLMTUMEDSA-N 1 1 357.498 3.523 20 30 FHEDMO CC(C)[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H](O)COc1ccccc1 ZINC000444812570 947247341 /nfs/dbraw/zinc/24/73/41/947247341.db2.gz LHRPCNGLBOSQKB-IBGZPJMESA-N 1 1 358.869 3.862 20 30 FHEDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@H](O)COc1ccccc1 ZINC000444812570 947247330 /nfs/dbraw/zinc/24/73/30/947247330.db2.gz LHRPCNGLBOSQKB-IBGZPJMESA-N 1 1 358.869 3.862 20 30 FHEDMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC000330908300 947307349 /nfs/dbraw/zinc/30/73/49/947307349.db2.gz OKMGCFBQGRLLOC-GDBMZVCRSA-N 1 1 360.502 3.716 20 30 FHEDMO CCCOc1c(Cl)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000330916194 947320981 /nfs/dbraw/zinc/32/09/81/947320981.db2.gz UWFAMAQGONYOLQ-GXTWGEPZSA-N 1 1 354.878 3.925 20 30 FHEDMO CNC(=O)c1cccc(C[N@@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)OC)c1 ZINC000330932071 947323042 /nfs/dbraw/zinc/32/30/42/947323042.db2.gz WUMWCXUEXIXCSS-MOPGFXCFSA-N 1 1 358.482 3.565 20 30 FHEDMO CNC(=O)c1cccc(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)OC)c1 ZINC000330932071 947323052 /nfs/dbraw/zinc/32/30/52/947323052.db2.gz WUMWCXUEXIXCSS-MOPGFXCFSA-N 1 1 358.482 3.565 20 30 FHEDMO CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)C1 ZINC000330981605 947326170 /nfs/dbraw/zinc/32/61/70/947326170.db2.gz NYZHKPPXCQWCIN-CYBMUJFWSA-N 1 1 350.532 3.593 20 30 FHEDMO C=CCNC(=O)c1ccc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1 ZINC000301405835 947329326 /nfs/dbraw/zinc/32/93/26/947329326.db2.gz GPGXXLHAFXSITI-DNVCBOLYSA-N 1 1 370.522 3.554 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000662148192 947373502 /nfs/dbraw/zinc/37/35/02/947373502.db2.gz YGNNAFLFPRYNAQ-SFHVURJKSA-N 1 1 355.507 3.720 20 30 FHEDMO N#CCc1cccc2c1CC[N@H+](C[C@H](O)Cc1ccc3ccccc3c1)C2 ZINC000599676536 947409961 /nfs/dbraw/zinc/40/99/61/947409961.db2.gz BDZDKGZBTIOWJH-HSZRJFAPSA-N 1 1 356.469 3.868 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1 ZINC000441452910 947492293 /nfs/dbraw/zinc/49/22/93/947492293.db2.gz AADXYLDZRPRBPJ-LQWHRVPQSA-N 1 1 369.509 3.985 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cc1 ZINC000441452902 947492699 /nfs/dbraw/zinc/49/26/99/947492699.db2.gz AADXYLDZRPRBPJ-DBXWQHBBSA-N 1 1 369.509 3.985 20 30 FHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662314807 947743684 /nfs/dbraw/zinc/74/36/84/947743684.db2.gz QKYCLKSSXFGIEI-OYRHEFFESA-N 1 1 372.534 3.796 20 30 FHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662314807 947743686 /nfs/dbraw/zinc/74/36/86/947743686.db2.gz QKYCLKSSXFGIEI-OYRHEFFESA-N 1 1 372.534 3.796 20 30 FHEDMO C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315169 947747950 /nfs/dbraw/zinc/74/79/50/947747950.db2.gz RKNFIITYAZMJGV-SJLPKXTDSA-N 1 1 361.555 3.743 20 30 FHEDMO C#Cc1ccc(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)nc1 ZINC000728862075 947805728 /nfs/dbraw/zinc/80/57/28/947805728.db2.gz SJOWSGGZMCSATP-UHFFFAOYSA-N 1 1 361.489 3.757 20 30 FHEDMO N#Cc1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)c(OC(F)F)c1 ZINC000536371873 947811709 /nfs/dbraw/zinc/81/17/09/947811709.db2.gz SCYKQHGAYBNATI-UHFFFAOYSA-N 1 1 358.392 3.631 20 30 FHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(Br)cc1 ZINC000105422561 948029854 /nfs/dbraw/zinc/02/98/54/948029854.db2.gz JMZDWPQLHHMUSI-UHFFFAOYSA-N 1 1 372.266 3.781 20 30 FHEDMO C=CCC(C)(C)CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000458812764 948142883 /nfs/dbraw/zinc/14/28/83/948142883.db2.gz RFGMOEFHGABLCU-PMACEKPBSA-N 1 1 355.526 3.752 20 30 FHEDMO N#Cc1cnc(NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000129572757 948144704 /nfs/dbraw/zinc/14/47/04/948144704.db2.gz CEEJDQQXJSLLQW-UHFFFAOYSA-N 1 1 362.264 3.732 20 30 FHEDMO C=CCN(C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H](C)COC ZINC000663583201 948251238 /nfs/dbraw/zinc/25/12/38/948251238.db2.gz REXHEXYIYDEVPR-MOPGFXCFSA-N 1 1 373.541 3.651 20 30 FHEDMO C=CCOc1ccc(Br)cc1NC(=O)C[NH+]1CCC(C)CC1 ZINC001299168765 948680219 /nfs/dbraw/zinc/68/02/19/948680219.db2.gz PIIPJCGTGOHIBO-UHFFFAOYSA-N 1 1 367.287 3.684 20 30 FHEDMO C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000438640279 948777749 /nfs/dbraw/zinc/77/77/49/948777749.db2.gz GDZVSXPKGHMDMI-QWHCGFSZSA-N 1 1 368.403 3.819 20 30 FHEDMO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000097002298 222149458 /nfs/dbraw/zinc/14/94/58/222149458.db2.gz GUJZVFCQTZEZDO-UHFFFAOYSA-N 1 1 360.383 3.684 20 30 FHEDMO C[N@H+]1CC[C@@H](CN[C@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328655849 523962692 /nfs/dbraw/zinc/96/26/92/523962692.db2.gz YVFWMOKKZDMMEX-JBACZVJFSA-N 1 1 364.493 3.524 20 30 FHEDMO CN1CC[C@@H](C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328655849 523962700 /nfs/dbraw/zinc/96/27/00/523962700.db2.gz YVFWMOKKZDMMEX-JBACZVJFSA-N 1 1 364.493 3.524 20 30 FHEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000024662881 567892905 /nfs/dbraw/zinc/89/29/05/567892905.db2.gz LHWNWYLVMWWHMZ-MRXNPFEDSA-N 1 1 360.417 3.518 20 30 FHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000024662881 567892906 /nfs/dbraw/zinc/89/29/06/567892906.db2.gz LHWNWYLVMWWHMZ-MRXNPFEDSA-N 1 1 360.417 3.518 20 30 FHEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCCC(C)(C)C#N ZINC000186276856 567896908 /nfs/dbraw/zinc/89/69/08/567896908.db2.gz QDRKQNBDACPREY-INIZCTEOSA-N 1 1 363.527 3.549 20 30 FHEDMO CN(C(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)C1(C#N)CCCCC1 ZINC000014931417 567912494 /nfs/dbraw/zinc/91/24/94/567912494.db2.gz WSCRCSLZSSGFQL-UHFFFAOYSA-N 1 1 367.415 3.822 20 30 FHEDMO CN(C(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)C1(C#N)CCCCC1 ZINC000014931417 567912495 /nfs/dbraw/zinc/91/24/95/567912495.db2.gz WSCRCSLZSSGFQL-UHFFFAOYSA-N 1 1 367.415 3.822 20 30 FHEDMO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2Cl)cn1 ZINC000366009716 567930198 /nfs/dbraw/zinc/93/01/98/567930198.db2.gz LUBPJOBGDQEDDA-ZDUSSCGKSA-N 1 1 351.841 3.952 20 30 FHEDMO COCCCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1 ZINC000128544496 567944160 /nfs/dbraw/zinc/94/41/60/567944160.db2.gz RUUBIGNRGURBMC-UHFFFAOYSA-N 1 1 369.465 3.635 20 30 FHEDMO Cc1cc(-c2noc([C@@H](C)[NH2+][C@H](C)CC3(C#N)CCOCC3)n2)ccc1F ZINC000602640956 568003008 /nfs/dbraw/zinc/00/30/08/568003008.db2.gz FDCHTPKNIRNZBW-HUUCEWRRSA-N 1 1 372.444 3.934 20 30 FHEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC000481526205 568015821 /nfs/dbraw/zinc/01/58/21/568015821.db2.gz FOBCNJNVTDBSIS-IBGZPJMESA-N 1 1 365.452 3.583 20 30 FHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)c1 ZINC000602714394 568019679 /nfs/dbraw/zinc/01/96/79/568019679.db2.gz INGABAUTPTXJHZ-OAQYLSRUSA-N 1 1 351.450 3.555 20 30 FHEDMO Cc1ccc2ncc(C#N)c(N3CC[NH+]([C@@H](C)c4cccnc4)CC3)c2c1 ZINC000568581912 568064949 /nfs/dbraw/zinc/06/49/49/568064949.db2.gz SUDIAAGVYLTOLD-KRWDZBQOSA-N 1 1 357.461 3.693 20 30 FHEDMO Cc1cc(C#N)cc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000568597459 568074699 /nfs/dbraw/zinc/07/46/99/568074699.db2.gz DCWSPJJCPCYIOI-NHCUHLMSSA-N 1 1 374.488 3.853 20 30 FHEDMO CC[N@@H+](CCc1c(C)nc2ccccn2c1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000568643084 568104429 /nfs/dbraw/zinc/10/44/29/568104429.db2.gz BZHSLNRZJJVBAG-KRWDZBQOSA-N 1 1 360.461 3.500 20 30 FHEDMO CCC1CCC([N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C2CC2)CC1 ZINC000603856070 568168202 /nfs/dbraw/zinc/16/82/02/568168202.db2.gz BXUISKLJKHNRRG-XTXLOEGASA-N 1 1 356.510 3.926 20 30 FHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1 ZINC000024897878 568230166 /nfs/dbraw/zinc/23/01/66/568230166.db2.gz ROGMDXLVVQOQNB-UHFFFAOYSA-N 1 1 357.454 3.708 20 30 FHEDMO COc1cccc(C[C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)c1 ZINC000569025076 568275196 /nfs/dbraw/zinc/27/51/96/568275196.db2.gz PILQAYWOSQMNQJ-QGZVFWFLSA-N 1 1 369.490 3.664 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000569106909 568277563 /nfs/dbraw/zinc/27/75/63/568277563.db2.gz RLDSVJGNFDFTMM-KRWDZBQOSA-N 1 1 357.797 3.773 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000569106909 568277565 /nfs/dbraw/zinc/27/75/65/568277565.db2.gz RLDSVJGNFDFTMM-KRWDZBQOSA-N 1 1 357.797 3.773 20 30 FHEDMO CC(C)c1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000604468380 568297490 /nfs/dbraw/zinc/29/74/90/568297490.db2.gz WFPQIJDOFDZBKV-NRFANRHFSA-N 1 1 352.478 3.748 20 30 FHEDMO CC(C)[C@@H](C#N)N1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000609486916 568346555 /nfs/dbraw/zinc/34/65/55/568346555.db2.gz UHXGWJSCMJEBDH-JOCHJYFZSA-N 1 1 351.494 3.774 20 30 FHEDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000569629524 568411106 /nfs/dbraw/zinc/41/11/06/568411106.db2.gz KTKWRBODSLVFTJ-KRWDZBQOSA-N 1 1 351.288 3.551 20 30 FHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H](n4cccn4)C3)c2)c1 ZINC000570375964 568481678 /nfs/dbraw/zinc/48/16/78/568481678.db2.gz OVNNDZDTBKZVEN-OAQYLSRUSA-N 1 1 358.445 3.781 20 30 FHEDMO C[N@H+]1CCCC12CCN(c1nc3c(c(C#N)c1C#N)CCCCCC3)CC2 ZINC000408327308 568688762 /nfs/dbraw/zinc/68/87/62/568688762.db2.gz BDMSGWSKRSIYNF-UHFFFAOYSA-N 1 1 363.509 3.549 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000828258170 602054867 /nfs/dbraw/zinc/05/48/67/602054867.db2.gz QPKNCGQFWBYSDM-DYESRHJHSA-N 1 1 369.509 3.660 20 30 FHEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824530293 609343605 /nfs/dbraw/zinc/34/36/05/609343605.db2.gz KONCDTYBGZIXEV-UGSOOPFHSA-N 1 1 350.401 3.701 20 30 FHEDMO N#Cc1cc(F)c(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623847 719053901 /nfs/dbraw/zinc/05/39/01/719053901.db2.gz NDYMKTUOJZZDFI-YJBOKZPZSA-N 1 1 370.859 3.847 20 30 FHEDMO N#Cc1cnc(Cl)cc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623549 719058962 /nfs/dbraw/zinc/05/89/62/719058962.db2.gz JRZXPYUVZWGJOR-LPHOPBHVSA-N 1 1 352.869 3.707 20 30 FHEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)ccc2C#N)CC3)cs1 ZINC001164693985 719805812 /nfs/dbraw/zinc/80/58/12/719805812.db2.gz WOZJBSQPOGJYCJ-UHFFFAOYSA-N 1 1 367.522 3.662 20 30 FHEDMO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725930 720385134 /nfs/dbraw/zinc/38/51/34/720385134.db2.gz OGLHBCGCGNGSPZ-CVEARBPZSA-N 1 1 374.275 3.508 20 30 FHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc3ccc(C#N)cc31)[C@H]2C ZINC001164857958 720951938 /nfs/dbraw/zinc/95/19/38/720951938.db2.gz IMDUVKYAZSYVSU-INIZCTEOSA-N 1 1 374.492 3.724 20 30 FHEDMO Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncc1C#N ZINC001164792570 721493923 /nfs/dbraw/zinc/49/39/23/721493923.db2.gz QZPHASIIFSETQX-UHFFFAOYSA-N 1 1 361.493 3.538 20 30 FHEDMO N#Cc1cnc(Cl)cc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994700 722192836 /nfs/dbraw/zinc/19/28/36/722192836.db2.gz PFUAGZFZPMZGLZ-HXUWFJFHSA-N 1 1 370.859 3.991 20 30 FHEDMO Cc1ccnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164994227 722193896 /nfs/dbraw/zinc/19/38/96/722193896.db2.gz LVJNFWWHOKBLIT-OAQYLSRUSA-N 1 1 350.441 3.646 20 30 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FHEDMO N#Cc1ccc(CN2CCC([NH2+][C@H]3COc4cc(F)cc(F)c43)CC2)cc1 ZINC000612403954 940049111 /nfs/dbraw/zinc/04/91/11/940049111.db2.gz DSQFYPGRNDMVDM-IBGZPJMESA-N 1 1 369.415 3.524 20 30 FHEDMO C[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(C#N)cc1 ZINC000548936220 940111530 /nfs/dbraw/zinc/11/15/30/940111530.db2.gz NVXVXWRXTNRBEW-ZDUSSCGKSA-N 1 1 362.458 3.631 20 30 FHEDMO C=CCn1c(C2CCC2)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000570130334 940155198 /nfs/dbraw/zinc/15/51/98/940155198.db2.gz OPVAWFSULSUAEN-UHFFFAOYSA-N 1 1 357.546 3.824 20 30 FHEDMO N#Cc1c(F)ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1Cl ZINC000365437911 940157207 /nfs/dbraw/zinc/15/72/07/940157207.db2.gz OZSUXCPCIJPNAJ-OAHLLOKOSA-N 1 1 352.837 3.511 20 30 FHEDMO C=CC[C@@H](C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)c1ccccc1 ZINC000426590666 945299757 /nfs/dbraw/zinc/29/97/57/945299757.db2.gz HSJVGQRXSQRHNM-UYAOXDASSA-N 1 1 352.478 3.774 20 30 FHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000413824717 940159905 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FHEDMO N#Cc1csc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000580745897 940484645 /nfs/dbraw/zinc/48/46/45/940484645.db2.gz BRECGSMLEWWQBB-PKOBYXMFSA-N 1 1 352.507 3.501 20 30 FHEDMO C[N@H+](Cc1ccc(Br)s1)C[C@H](O)c1ccc(C#N)cc1 ZINC000177991905 940500015 /nfs/dbraw/zinc/50/00/15/940500015.db2.gz HHKMJCUHQXBNQL-AWEZNQCLSA-N 1 1 351.269 3.548 20 30 FHEDMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C(C)C ZINC000581590302 940509616 /nfs/dbraw/zinc/50/96/16/940509616.db2.gz COJIWFJNXALMLX-QGZVFWFLSA-N 1 1 366.513 3.566 20 30 FHEDMO COc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1C#N ZINC000124765643 945327472 /nfs/dbraw/zinc/32/74/72/945327472.db2.gz YLJYSKJERISNAU-UHFFFAOYSA-N 1 1 370.884 3.584 20 30 FHEDMO N#Cc1c(F)cccc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000426607731 945332004 /nfs/dbraw/zinc/33/20/04/945332004.db2.gz LLJUSCDMLHKGFL-UHFFFAOYSA-N 1 1 373.431 3.809 20 30 FHEDMO CC[C@](C)([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1nccs1 ZINC000173498824 940630447 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BCNYQOARVKYKGD-ZEYPLWLESA-N 1 1 367.489 3.617 20 30 FHEDMO C[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000376661768 941375642 /nfs/dbraw/zinc/37/56/42/941375642.db2.gz UQARYGJMMIXOKP-DOTOQJQBSA-N 1 1 362.543 3.760 20 30 FHEDMO CC(C)(CCC#N)CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000376671734 941376775 /nfs/dbraw/zinc/37/67/75/941376775.db2.gz KEIFSGMDHAIFOY-MRXNPFEDSA-N 1 1 362.543 3.589 20 30 FHEDMO C[C@H]([NH2+]CC(=O)N1CCC(C)CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376840639 941447526 /nfs/dbraw/zinc/44/75/26/941447526.db2.gz DPQPNCJETAQHQU-HNNXBMFYSA-N 1 1 368.506 3.591 20 30 FHEDMO Cc1csc(C2([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)CCC2)n1 ZINC000376937645 941469717 /nfs/dbraw/zinc/46/97/17/941469717.db2.gz PNFZDKYGZFYSGK-UHFFFAOYSA-N 1 1 363.490 3.893 20 30 FHEDMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)cc1C#N)c1ccccc1Cl ZINC000549168961 941576299 /nfs/dbraw/zinc/57/62/99/941576299.db2.gz PITSQWKFGYHDOC-QGZVFWFLSA-N 1 1 360.820 3.775 20 30 FHEDMO C=CCOc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000415100048 941603216 /nfs/dbraw/zinc/60/32/16/941603216.db2.gz ACNRIOWXBWPZAD-AZUAARDMSA-N 1 1 364.917 3.623 20 30 FHEDMO C=CCOc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415123603 941619061 /nfs/dbraw/zinc/61/90/61/941619061.db2.gz LLQQGTYRWKINFU-YLJYHZDGSA-N 1 1 364.917 3.623 20 30 FHEDMO Cc1[nH+]ccn1CCCN(C)c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000120178134 941669572 /nfs/dbraw/zinc/66/95/72/941669572.db2.gz TULSOISXERAZSV-UHFFFAOYSA-N 1 1 357.820 3.930 20 30 FHEDMO C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000549247866 941738828 /nfs/dbraw/zinc/73/88/28/941738828.db2.gz FLGANOQGRATBRT-QZTJIDSGSA-N 1 1 357.546 3.822 20 30 FHEDMO N#Cc1ccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)c(F)c1 ZINC000151146839 941760174 /nfs/dbraw/zinc/76/01/74/941760174.db2.gz JLNPBBGFXDXYJB-UHFFFAOYSA-N 1 1 355.432 3.633 20 30 FHEDMO Cc1c(C#N)cccc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000513231239 941789421 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ZINC000543866003 943276397 /nfs/dbraw/zinc/27/63/97/943276397.db2.gz XYLXTBBUKIOZPL-CVEARBPZSA-N 1 1 353.869 3.878 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 ZINC000435262963 943288743 /nfs/dbraw/zinc/28/87/43/943288743.db2.gz MXBBAJUGCJBRAF-MRXNPFEDSA-N 1 1 370.456 3.961 20 30 FHEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3-c3ccccc3C#N)C2)C1 ZINC000505671148 943350561 /nfs/dbraw/zinc/35/05/61/943350561.db2.gz VEMJMQBCNIBNCD-HSZRJFAPSA-N 1 1 359.473 3.783 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435357414 943354075 /nfs/dbraw/zinc/35/40/75/943354075.db2.gz LDKXXGOPELGIBZ-AVRDEDQJSA-N 1 1 373.500 3.617 20 30 FHEDMO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000503876237 943394096 /nfs/dbraw/zinc/39/40/96/943394096.db2.gz RZNQWAAFXOBNEN-OAQYLSRUSA-N 1 1 363.505 3.829 20 30 FHEDMO C=CCc1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc(OC)c1O ZINC000425374541 943394810 /nfs/dbraw/zinc/39/48/10/943394810.db2.gz 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CC(C)[C@@H](CNC(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000515170185 943534975 /nfs/dbraw/zinc/53/49/75/943534975.db2.gz UIRMBDXWCGWJHG-OAQYLSRUSA-N 1 1 362.477 3.763 20 30 FHEDMO CC(C)[C@@H]1[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC12CCOCC2 ZINC000584769021 943571722 /nfs/dbraw/zinc/57/17/22/943571722.db2.gz YFHZSZKCJFFXDW-NRFANRHFSA-N 1 1 364.493 3.596 20 30 FHEDMO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504339690 943592041 /nfs/dbraw/zinc/59/20/41/943592041.db2.gz WEJVSLHKPZMJKP-VXKWHMMOSA-N 1 1 359.473 3.835 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000515307915 943773448 /nfs/dbraw/zinc/77/34/48/943773448.db2.gz BESSDEGWTXDZFY-KRWDZBQOSA-N 1 1 367.518 3.836 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000515307915 943773452 /nfs/dbraw/zinc/77/34/52/943773452.db2.gz BESSDEGWTXDZFY-KRWDZBQOSA-N 1 1 367.518 3.836 20 30 FHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000515293093 943777588 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FHEDMO C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000458850488 943931529 /nfs/dbraw/zinc/93/15/29/943931529.db2.gz UPVCGIZDEHOBPW-RXVVDRJESA-N 1 1 368.525 3.937 20 30 FHEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccc(OC)cc1 ZINC000515528740 943964372 /nfs/dbraw/zinc/96/43/72/943964372.db2.gz UKXWDHFYBXIBDM-SFHVURJKSA-N 1 1 352.478 3.903 20 30 FHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccc(OC)cc1 ZINC000515528740 943964379 /nfs/dbraw/zinc/96/43/79/943964379.db2.gz UKXWDHFYBXIBDM-SFHVURJKSA-N 1 1 352.478 3.903 20 30 FHEDMO C=C(C)C(C)(C)C(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000424648006 944031365 /nfs/dbraw/zinc/03/13/65/944031365.db2.gz RBGKNKDZMWZERG-UHFFFAOYSA-N 1 1 373.541 3.732 20 30 FHEDMO COc1ccc2oc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)cc2c1 ZINC000506112711 944060539 /nfs/dbraw/zinc/06/05/39/944060539.db2.gz NBFBBYCIXDXIFY-UHFFFAOYSA-N 1 1 361.445 3.631 20 30 FHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425489598 944108549 /nfs/dbraw/zinc/10/85/49/944108549.db2.gz NZOIWUSWMBBIJV-MSOLQXFVSA-N 1 1 364.493 3.781 20 30 FHEDMO C[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1C(=O)OC(C)(C)C ZINC000425515388 944196801 /nfs/dbraw/zinc/19/68/01/944196801.db2.gz SNBQXQZWJSBJEC-DLBZAZTESA-N 1 1 350.503 3.529 20 30 FHEDMO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)C2CC2)o1 ZINC000425531434 944255056 /nfs/dbraw/zinc/25/50/56/944255056.db2.gz HKOOQXRMNFCWOP-MRXNPFEDSA-N 1 1 351.450 3.644 20 30 FHEDMO Cc1ccc(CN(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)C2CC2)o1 ZINC000425531434 944255063 /nfs/dbraw/zinc/25/50/63/944255063.db2.gz HKOOQXRMNFCWOP-MRXNPFEDSA-N 1 1 351.450 3.644 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000425533389 944261047 /nfs/dbraw/zinc/26/10/47/944261047.db2.gz KRZGFAUVILTPHU-CQSZACIVSA-N 1 1 364.474 3.824 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000425533389 944261055 /nfs/dbraw/zinc/26/10/55/944261055.db2.gz KRZGFAUVILTPHU-CQSZACIVSA-N 1 1 364.474 3.824 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000425533386 944261199 /nfs/dbraw/zinc/26/11/99/944261199.db2.gz KRZGFAUVILTPHU-AWEZNQCLSA-N 1 1 364.474 3.824 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000425533386 944261205 /nfs/dbraw/zinc/26/12/05/944261205.db2.gz KRZGFAUVILTPHU-AWEZNQCLSA-N 1 1 364.474 3.824 20 30 FHEDMO CCOc1ccccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529034 944265348 /nfs/dbraw/zinc/26/53/48/944265348.db2.gz AJZGCYORLKXAQZ-INIZCTEOSA-N 1 1 351.450 3.979 20 30 FHEDMO Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425534463 944277263 /nfs/dbraw/zinc/27/72/63/944277263.db2.gz MCPKCTRSMNUGRF-INIZCTEOSA-N 1 1 364.449 3.516 20 30 FHEDMO Cc1cccc(NC(=O)NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425534463 944277270 /nfs/dbraw/zinc/27/72/70/944277270.db2.gz MCPKCTRSMNUGRF-INIZCTEOSA-N 1 1 364.449 3.516 20 30 FHEDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540868 944299254 /nfs/dbraw/zinc/29/92/54/944299254.db2.gz VSVJEWWYYKNLIO-HNNXBMFYSA-N 1 1 366.421 3.797 20 30 FHEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2C)c(C#N)c1C ZINC000436410673 944299343 /nfs/dbraw/zinc/29/93/43/944299343.db2.gz KFUPSIIYEWWGKZ-GOSISDBHSA-N 1 1 351.450 3.722 20 30 FHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2C)c(C#N)c1C ZINC000436410673 944299348 /nfs/dbraw/zinc/29/93/48/944299348.db2.gz KFUPSIIYEWWGKZ-GOSISDBHSA-N 1 1 351.450 3.722 20 30 FHEDMO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](C)[N@@H+]1C ZINC000436503602 944374326 /nfs/dbraw/zinc/37/43/26/944374326.db2.gz MWOUABVMDXZXJK-IYBDPMFKSA-N 1 1 364.449 3.907 20 30 FHEDMO C=CCc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000506495360 944376898 /nfs/dbraw/zinc/37/68/98/944376898.db2.gz LFZSKHDUXFQUMF-OAQYLSRUSA-N 1 1 366.505 3.836 20 30 FHEDMO C=CCc1cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000506495360 944376905 /nfs/dbraw/zinc/37/69/05/944376905.db2.gz LFZSKHDUXFQUMF-OAQYLSRUSA-N 1 1 366.505 3.836 20 30 FHEDMO C=CCc1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000506495360 944376911 /nfs/dbraw/zinc/37/69/11/944376911.db2.gz LFZSKHDUXFQUMF-OAQYLSRUSA-N 1 1 366.505 3.836 20 30 FHEDMO CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nnc2n1CCCCC2 ZINC000517551624 944384937 /nfs/dbraw/zinc/38/49/37/944384937.db2.gz RSQTWWMGXGDAPY-LJQANCHMSA-N 1 1 367.497 3.928 20 30 FHEDMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OCC#N)c1)c1ccccc1Cl ZINC000048514314 944472690 /nfs/dbraw/zinc/47/26/90/944472690.db2.gz LLKISYPGGVBQRT-SFHVURJKSA-N 1 1 372.856 3.667 20 30 FHEDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1cccc(C#N)c1 ZINC000613743004 944547107 /nfs/dbraw/zinc/54/71/07/944547107.db2.gz BOSXFWILHCRKSQ-CYBMUJFWSA-N 1 1 351.841 3.858 20 30 FHEDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000184306647 944563037 /nfs/dbraw/zinc/56/30/37/944563037.db2.gz RQDWOFQMGMORPM-UHFFFAOYSA-N 1 1 364.449 3.908 20 30 FHEDMO 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CVEAEVYCLVANSU-INIZCTEOSA-N 1 1 374.492 3.724 20 30 FHEDMO C=CC[NH+]1CCN(c2nc(CSC)nc3sc4c(c32)CCCC4)CC1 ZINC001165031886 721870892 /nfs/dbraw/zinc/87/08/92/721870892.db2.gz CFFSMLZIAKZOOX-UHFFFAOYSA-N 1 1 374.579 3.741 20 30 FHEDMO C=CC[NH+]1CCN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC001165035566 721872435 /nfs/dbraw/zinc/87/24/35/721872435.db2.gz VYWNBMJYJLRIJK-UHFFFAOYSA-N 1 1 367.255 3.898 20 30 FHEDMO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000509550894 945065529 /nfs/dbraw/zinc/06/55/29/945065529.db2.gz ZTRGIRZCIPZVRQ-UHFFFAOYSA-N 1 1 369.488 3.588 20 30 FHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000548786940 937130710 /nfs/dbraw/zinc/13/07/10/937130710.db2.gz ITAAQGAACJOBAF-INIZCTEOSA-N 1 1 350.397 3.611 20 30 FHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Oc4ccccc4)o3)C2)nc1 ZINC000430184825 927654303 /nfs/dbraw/zinc/65/43/03/927654303.db2.gz HIDDKQVYKRWYKS-IBGZPJMESA-N 1 1 361.401 3.992 20 30 FHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)nc1 ZINC000430184825 927654308 /nfs/dbraw/zinc/65/43/08/927654308.db2.gz HIDDKQVYKRWYKS-IBGZPJMESA-N 1 1 361.401 3.992 20 30 FHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162614790 937202827 /nfs/dbraw/zinc/20/28/27/937202827.db2.gz QMVKBEGUGAPRHI-KRWDZBQOSA-N 1 1 357.498 3.601 20 30 FHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187775478 937214127 /nfs/dbraw/zinc/21/41/27/937214127.db2.gz SZHMZGQRAHXFDD-VBKZILBWSA-N 1 1 374.431 3.885 20 30 FHEDMO C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccc2)c1)C1=CC[N@@H+](C)CC1 ZINC000511235221 937215833 /nfs/dbraw/zinc/21/58/33/937215833.db2.gz ZPSLOGYCZGWQQI-GOSISDBHSA-N 1 1 359.473 3.858 20 30 FHEDMO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000610212539 928132518 /nfs/dbraw/zinc/13/25/18/928132518.db2.gz COZZQOWDXVWORI-LJQANCHMSA-N 1 1 353.853 3.839 20 30 FHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000610212539 928132521 /nfs/dbraw/zinc/13/25/21/928132521.db2.gz COZZQOWDXVWORI-LJQANCHMSA-N 1 1 353.853 3.839 20 30 FHEDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)c1C ZINC000610215102 928148804 /nfs/dbraw/zinc/14/88/04/928148804.db2.gz SEUBAYAQBGPFLS-UGKGYDQZSA-N 1 1 350.462 3.752 20 30 FHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000610216103 928171332 /nfs/dbraw/zinc/17/13/32/928171332.db2.gz LNOSCDVJGHDAHK-HBFSDRIKSA-N 1 1 353.510 3.843 20 30 FHEDMO C[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@@H]1c1ccccc1 ZINC000610216099 928171798 /nfs/dbraw/zinc/17/17/98/928171798.db2.gz LHALPJWTZJQHHI-ICSRJNTNSA-N 1 1 353.510 3.797 20 30 FHEDMO C[N@@H+](CCC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000547732399 929062282 /nfs/dbraw/zinc/06/22/82/929062282.db2.gz UQAWLUWTQJWDLE-UHFFFAOYSA-N 1 1 369.509 3.583 20 30 FHEDMO C=CC[N@@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)CCc1ccccc1 ZINC000109357122 929070086 /nfs/dbraw/zinc/07/00/86/929070086.db2.gz HMMVCGDLQHOBLE-UHFFFAOYSA-N 1 1 350.462 3.949 20 30 FHEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1c(F)cc(C#N)cc1F ZINC000154781594 929276585 /nfs/dbraw/zinc/27/65/85/929276585.db2.gz PCJUJUBJAMRPOI-BEFAXECRSA-N 1 1 367.399 3.593 20 30 FHEDMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1)c1ccccc1 ZINC000430290416 929305036 /nfs/dbraw/zinc/30/50/36/929305036.db2.gz CQPOYPSRMJKWBU-QGZVFWFLSA-N 1 1 353.853 3.697 20 30 FHEDMO C=CCCCC[N@@H+]1CCC[C@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001209200093 929492503 /nfs/dbraw/zinc/49/25/03/929492503.db2.gz GITKKCFYWWXDPF-JOCHJYFZSA-N 1 1 358.526 3.970 20 30 FHEDMO C=CCN1CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180489510 929524696 /nfs/dbraw/zinc/52/46/96/929524696.db2.gz YAODINQYEUIMMU-NRFANRHFSA-N 1 1 351.450 3.924 20 30 FHEDMO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000187222261 929583106 /nfs/dbraw/zinc/58/31/06/929583106.db2.gz DBZNEVZPFPOYRI-IBGZPJMESA-N 1 1 367.880 3.662 20 30 FHEDMO Cc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728267728 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FHEDMO C[N@@H+](CCCc1ccccc1)CC(=O)Nc1ccccc1SCC#N ZINC000052802579 935827130 /nfs/dbraw/zinc/82/71/30/935827130.db2.gz UVSZQQNFFOZFTO-UHFFFAOYSA-N 1 1 353.491 3.805 20 30 FHEDMO COc1ccc(C[NH+]2CCC(CCC#N)CC2)c(Br)c1O ZINC000582607019 935865414 /nfs/dbraw/zinc/86/54/14/935865414.db2.gz KBRWNVHRHXLWLE-UHFFFAOYSA-N 1 1 353.260 3.679 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000479679889 935876315 /nfs/dbraw/zinc/87/63/15/935876315.db2.gz WCAWHIBMAGFRIX-QGZVFWFLSA-N 1 1 354.498 3.501 20 30 FHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611670537 935891773 /nfs/dbraw/zinc/89/17/73/935891773.db2.gz CHXVOAOWCZAYLV-JXFKEZNVSA-N 1 1 369.490 3.526 20 30 FHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611670537 935891777 /nfs/dbraw/zinc/89/17/77/935891777.db2.gz CHXVOAOWCZAYLV-JXFKEZNVSA-N 1 1 369.490 3.526 20 30 FHEDMO CCN1CCC[C@@H](C[N@@H+](C)CCCCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000375726446 935914560 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FHEDMO COc1ccc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1[N+](=O)[O-] ZINC000255556279 936185330 /nfs/dbraw/zinc/18/53/30/936185330.db2.gz QNSAMXFEBKTLTE-OQFOIZHKSA-N 1 1 363.373 3.994 20 30 FHEDMO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)OCC ZINC000511804307 945161111 /nfs/dbraw/zinc/16/11/11/945161111.db2.gz CTKOYPGOKDZTDG-UXHICEINSA-N 1 1 358.526 3.775 20 30 FHEDMO CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000156976614 938299957 /nfs/dbraw/zinc/29/99/57/938299957.db2.gz NXKNQEGWQNROAN-UZLBHIALSA-N 1 1 366.509 3.968 20 30 FHEDMO C=CCOc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Cl ZINC000650723752 938310879 /nfs/dbraw/zinc/31/08/79/938310879.db2.gz SWJFRXYEXASULZ-POAQFYNOSA-N 1 1 364.917 3.766 20 30 FHEDMO C#CCOc1ccccc1CNC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246475556 938366318 /nfs/dbraw/zinc/36/63/18/938366318.db2.gz WNSYONTYJZGCKK-RXVVDRJESA-N 1 1 354.519 3.933 20 30 FHEDMO C#CCOc1ccccc1C[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000246475556 938366320 /nfs/dbraw/zinc/36/63/20/938366320.db2.gz WNSYONTYJZGCKK-RXVVDRJESA-N 1 1 354.519 3.933 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246465914 938367550 /nfs/dbraw/zinc/36/75/50/938367550.db2.gz OGPKRHWJBQAEGO-QZTJIDSGSA-N 1 1 357.450 3.941 20 30 FHEDMO C=C(C)[C@@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000458675388 938410274 /nfs/dbraw/zinc/41/02/74/938410274.db2.gz OQQLXNFREXKSNC-KBXCAEBGSA-N 1 1 351.441 3.613 20 30 FHEDMO C=C(C)[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(F)c(F)c1 ZINC000458685191 938424227 /nfs/dbraw/zinc/42/42/27/938424227.db2.gz WBCQXEAIWRDEPU-AZUAARDMSA-N 1 1 363.452 3.709 20 30 FHEDMO N#Cc1cnc2c(Cl)cccc2c1N1CC[NH+](Cc2ccco2)CC1 ZINC000583809297 938425666 /nfs/dbraw/zinc/42/56/66/938425666.db2.gz LJQNWNWNZGANQV-UHFFFAOYSA-N 1 1 352.825 3.675 20 30 FHEDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000583843764 938447285 /nfs/dbraw/zinc/44/72/85/938447285.db2.gz CYCWVXWMQUKHPT-GOSISDBHSA-N 1 1 364.367 3.751 20 30 FHEDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000472307266 938467492 /nfs/dbraw/zinc/46/74/92/938467492.db2.gz WCLYSQGRDAXKAS-ROUUACIJSA-N 1 1 372.831 3.918 20 30 FHEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000472307266 938467493 /nfs/dbraw/zinc/46/74/93/938467493.db2.gz WCLYSQGRDAXKAS-ROUUACIJSA-N 1 1 372.831 3.918 20 30 FHEDMO CC(C)Oc1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1C#N ZINC000178998337 938477881 /nfs/dbraw/zinc/47/78/81/938477881.db2.gz BFGARSUKCLKQBG-UHFFFAOYSA-N 1 1 370.497 3.828 20 30 FHEDMO N#Cc1ccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)s1 ZINC000584047018 938567570 /nfs/dbraw/zinc/56/75/70/938567570.db2.gz MSUNQMHJOIASRX-HNNXBMFYSA-N 1 1 368.506 3.743 20 30 FHEDMO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000329643554 938570547 /nfs/dbraw/zinc/57/05/47/938570547.db2.gz IYBLIVNGEYOKJC-RDJZCZTQSA-N 1 1 355.482 3.912 20 30 FHEDMO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000329674712 938603374 /nfs/dbraw/zinc/60/33/74/938603374.db2.gz VNEVXWCFZAFKNN-LTDCPUDJSA-N 1 1 355.482 3.629 20 30 FHEDMO CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000134870703 938657303 /nfs/dbraw/zinc/65/73/03/938657303.db2.gz YCOLJDJMPGVSJJ-HXUWFJFHSA-N 1 1 370.468 3.932 20 30 FHEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248619925 938668866 /nfs/dbraw/zinc/66/88/66/938668866.db2.gz KRYJLTNQZTXFKU-IEBWSBKVSA-N 1 1 350.865 3.924 20 30 FHEDMO CC#CCCCC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248619925 938668867 /nfs/dbraw/zinc/66/88/67/938668867.db2.gz KRYJLTNQZTXFKU-IEBWSBKVSA-N 1 1 350.865 3.924 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3c(F)cc(C#N)cc3F)c2)CCO1 ZINC000573173861 938670448 /nfs/dbraw/zinc/67/04/48/938670448.db2.gz YPLRCTDLLQCXMB-CQSZACIVSA-N 1 1 357.404 3.669 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3c(F)cc(C#N)cc3F)c2)CCO1 ZINC000573173861 938670449 /nfs/dbraw/zinc/67/04/49/938670449.db2.gz YPLRCTDLLQCXMB-CQSZACIVSA-N 1 1 357.404 3.669 20 30 FHEDMO CC[N@@H+](CCNC(=O)c1cc(F)cc(C(F)(F)F)c1)CCC(F)(F)F ZINC000427210684 945202908 /nfs/dbraw/zinc/20/29/08/945202908.db2.gz SQMGZUOVOVFFHS-UHFFFAOYSA-N 1 1 374.300 3.849 20 30 FHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1ccccc1 ZINC000053048227 938851945 /nfs/dbraw/zinc/85/19/45/938851945.db2.gz CJJCDQUYBYVRPD-UHFFFAOYSA-N 1 1 353.491 3.612 20 30 FHEDMO CCCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1ccccc1 ZINC000584433646 938873067 /nfs/dbraw/zinc/87/30/67/938873067.db2.gz JXOJCAWUVMRSBF-QGZVFWFLSA-N 1 1 371.506 3.590 20 30 FHEDMO CCCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1ccccc1 ZINC000584433646 938873070 /nfs/dbraw/zinc/87/30/70/938873070.db2.gz JXOJCAWUVMRSBF-QGZVFWFLSA-N 1 1 371.506 3.590 20 30 FHEDMO COCCOc1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872396 938931121 /nfs/dbraw/zinc/93/11/21/938931121.db2.gz KLMWTIPIJSGVPY-LEWJYISDSA-N 1 1 350.462 3.984 20 30 FHEDMO COCCOc1ccccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872396 938931122 /nfs/dbraw/zinc/93/11/22/938931122.db2.gz KLMWTIPIJSGVPY-LEWJYISDSA-N 1 1 350.462 3.984 20 30 FHEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458799776 938943624 /nfs/dbraw/zinc/94/36/24/938943624.db2.gz KEWOQOPGRZRALN-HSALFYBXSA-N 1 1 354.498 3.690 20 30 FHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](COC)Cc1ccccc1 ZINC000472327143 938971810 /nfs/dbraw/zinc/97/18/10/938971810.db2.gz LRHRRNDSFMGLCR-SFHVURJKSA-N 1 1 371.506 3.528 20 30 FHEDMO CCc1c(C)sc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001125718265 938977362 /nfs/dbraw/zinc/97/73/62/938977362.db2.gz VXMVNFXJZCVKHU-INIZCTEOSA-N 1 1 353.491 3.951 20 30 FHEDMO C=C(C)COc1cc(C[N@@H+]2CCCC[C@H]2CCC(=O)NC)ccc1OC ZINC000685446998 938987574 /nfs/dbraw/zinc/98/75/74/938987574.db2.gz BFRBWYICJFJLAY-SFHVURJKSA-N 1 1 360.498 3.531 20 30 FHEDMO Oc1c(Cl)cc(Cl)cc1/C=N\C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000255603848 938990392 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373.500 3.518 20 30 FHEDMO COc1ccc(O)c(C=Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000255736126 939153994 /nfs/dbraw/zinc/15/39/94/939153994.db2.gz COMMRGDLKLNEDW-HZPDHXFCSA-N 1 1 354.450 3.761 20 30 FHEDMO C[C@]1(C#N)CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000612161620 939165780 /nfs/dbraw/zinc/16/57/80/939165780.db2.gz HCRNNNHEHZKRQJ-HSZRJFAPSA-N 1 1 361.489 3.908 20 30 FHEDMO C[C@]1(C#N)CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000612161620 939165787 /nfs/dbraw/zinc/16/57/87/939165787.db2.gz HCRNNNHEHZKRQJ-HSZRJFAPSA-N 1 1 361.489 3.908 20 30 FHEDMO C=CCN(Cc1ccccc1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000612192785 939220007 /nfs/dbraw/zinc/22/00/07/939220007.db2.gz CQTRAQMVPAYWPV-UHFFFAOYSA-N 1 1 351.494 3.906 20 30 FHEDMO CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000507462401 945250364 /nfs/dbraw/zinc/25/03/64/945250364.db2.gz DKVCZVKQLCZGGZ-OXQOHEQNSA-N 1 1 365.452 3.995 20 30 FHEDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C\c2ccccc2C#N)[C@H]1c1cccs1 ZINC000255841911 939911770 /nfs/dbraw/zinc/91/17/70/939911770.db2.gz QUORSUDELIHDKQ-VJZRLWATSA-N 1 1 365.502 3.832 20 30 FHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000179762580 939932197 /nfs/dbraw/zinc/93/21/97/939932197.db2.gz QTTYYIWJTQXHPI-UHFFFAOYSA-N 1 1 364.489 3.557 20 30 FHEDMO COc1cc(C#N)ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000364598768 939970220 /nfs/dbraw/zinc/97/02/20/939970220.db2.gz KATNWUFBBOSZAB-BCDXTJNWSA-N 1 1 371.481 3.587 20 30 FHEDMO N#Cc1ccc(CCC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000375894934 940028292 /nfs/dbraw/zinc/02/82/92/940028292.db2.gz HWESQKLZFZRHTN-XMMPIXPASA-N 1 1 373.500 3.615 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000612375875 940030822 /nfs/dbraw/zinc/03/08/22/940030822.db2.gz GCJLXQUIKSTLEA-MGPUTAFESA-N 1 1 351.454 3.577 20 30 FHEDMO CCC[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccc(C#N)cc1 ZINC000136583406 940039378 /nfs/dbraw/zinc/03/93/78/940039378.db2.gz CEWVUIYHRJYGCW-UHFFFAOYSA-N 1 1 371.510 3.558 20 30 FHEDMO CCC[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccc(C#N)cc1 ZINC000136583406 940039380 /nfs/dbraw/zinc/03/93/80/940039380.db2.gz CEWVUIYHRJYGCW-UHFFFAOYSA-N 1 1 371.510 3.558 20 30 FHEDMO Cc1ccn(C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)n1 ZINC000365124524 940060729 /nfs/dbraw/zinc/06/07/29/940060729.db2.gz KHKJTUJHNMMMQP-UHFFFAOYSA-N 1 1 359.271 3.663 20 30 FHEDMO Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179925233 940132747 /nfs/dbraw/zinc/13/27/47/940132747.db2.gz JGZQMIOUSKIKEJ-UHFFFAOYSA-N 1 1 367.456 3.995 20 30 FHEDMO C=CC[C@@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)c1ccccc1 ZINC000426590665 945299633 /nfs/dbraw/zinc/29/96/33/945299633.db2.gz HSJVGQRXSQRHNM-QUCCMNQESA-N 1 1 352.478 3.774 20 30 FHEDMO COc1ccc(C[NH2+]CC(C)(C)C#N)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000612585952 940163255 /nfs/dbraw/zinc/16/32/55/940163255.db2.gz ZRIPZXCWYCZBLW-UHFFFAOYSA-N 1 1 369.421 3.822 20 30 FHEDMO 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CC(C)c1ccc(CC[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000613598451 941353922 /nfs/dbraw/zinc/35/39/22/941353922.db2.gz ASUHIKPXGWSCIO-UHFFFAOYSA-N 1 1 364.493 3.912 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC(C)(C)CCC#N ZINC000376709030 941385534 /nfs/dbraw/zinc/38/55/34/941385534.db2.gz FMWDGUHBQIRRLC-MJGOQNOKSA-N 1 1 356.514 3.526 20 30 FHEDMO CC(C)(CCC#N)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000376723883 941389951 /nfs/dbraw/zinc/38/99/51/941389951.db2.gz PRTZNAQHQABGDR-IHWFROFDSA-N 1 1 368.525 3.811 20 30 FHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000472655986 941495408 /nfs/dbraw/zinc/49/54/08/941495408.db2.gz XZGXWNDUFFTWAX-ZBFHGGJFSA-N 1 1 354.288 3.922 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)NCC(C)(C)CCC#N ZINC000377032853 941498578 /nfs/dbraw/zinc/49/85/78/941498578.db2.gz RZYAUORCNGUHRS-AZUAARDMSA-N 1 1 370.541 3.868 20 30 FHEDMO CN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000377045814 941503075 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C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000502453418 942450027 /nfs/dbraw/zinc/45/00/27/942450027.db2.gz ZWMNLOAGUYFWRE-HNNXBMFYSA-N 1 1 355.413 3.551 20 30 FHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000502469168 942467402 /nfs/dbraw/zinc/46/74/02/942467402.db2.gz ROHHFKKJEJTVEE-XLIONFOSSA-N 1 1 350.462 3.703 20 30 FHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000502469168 942467406 /nfs/dbraw/zinc/46/74/06/942467406.db2.gz ROHHFKKJEJTVEE-XLIONFOSSA-N 1 1 350.462 3.703 20 30 FHEDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502511224 942488017 /nfs/dbraw/zinc/48/80/17/942488017.db2.gz NOFIJISOBJINDA-INIZCTEOSA-N 1 1 361.445 3.683 20 30 FHEDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502511224 942488020 /nfs/dbraw/zinc/48/80/20/942488020.db2.gz NOFIJISOBJINDA-INIZCTEOSA-N 1 1 361.445 3.683 20 30 FHEDMO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502512320 942489005 /nfs/dbraw/zinc/48/90/05/942489005.db2.gz SKEQHYYIURHLKI-RTBURBONSA-N 1 1 373.500 3.956 20 30 FHEDMO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502512320 942489010 /nfs/dbraw/zinc/48/90/10/942489010.db2.gz SKEQHYYIURHLKI-RTBURBONSA-N 1 1 373.500 3.956 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000502552222 942518682 /nfs/dbraw/zinc/51/86/82/942518682.db2.gz BFVMEIAXRVVGPQ-IRLDBZIGSA-N 1 1 367.489 3.698 20 30 FHEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001167734530 942531910 /nfs/dbraw/zinc/53/19/10/942531910.db2.gz NRGFFBQUKJRGRC-LEWJYISDSA-N 1 1 360.461 3.706 20 30 FHEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001167734530 942531916 /nfs/dbraw/zinc/53/19/16/942531916.db2.gz NRGFFBQUKJRGRC-LEWJYISDSA-N 1 1 360.461 3.706 20 30 FHEDMO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502551901 942535043 /nfs/dbraw/zinc/53/50/43/942535043.db2.gz CQCWVLIYCJNCFD-KURKYZTESA-N 1 1 351.494 3.540 20 30 FHEDMO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502551901 942535048 /nfs/dbraw/zinc/53/50/48/942535048.db2.gz CQCWVLIYCJNCFD-KURKYZTESA-N 1 1 351.494 3.540 20 30 FHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513971848 942635693 /nfs/dbraw/zinc/63/56/93/942635693.db2.gz RHKHDIADSQOPOD-NRFANRHFSA-N 1 1 361.489 3.933 20 30 FHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434504245 942713491 /nfs/dbraw/zinc/71/34/91/942713491.db2.gz SQHDIZBROZDNDN-INIZCTEOSA-N 1 1 351.425 3.846 20 30 FHEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(F)cc(F)c1OC)C2 ZINC001143559937 942745664 /nfs/dbraw/zinc/74/56/64/942745664.db2.gz BLVJTNWGWFIIII-ICSRJNTNSA-N 1 1 367.436 3.547 20 30 FHEDMO C=CCN(C(=O)N[C@H](C)c1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363821197 942753619 /nfs/dbraw/zinc/75/36/19/942753619.db2.gz LTXDIMRUTPGNRF-WIYYLYMNSA-N 1 1 364.493 3.615 20 30 FHEDMO C[N@@H+](CCCCc1ccccc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434660599 942844656 /nfs/dbraw/zinc/84/46/56/942844656.db2.gz AIJSHWHSAWQTQX-SFHVURJKSA-N 1 1 353.491 3.680 20 30 FHEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466927076 942863062 /nfs/dbraw/zinc/86/30/62/942863062.db2.gz OJVFPLKSXXHBPJ-IRXDYDNUSA-N 1 1 369.534 3.916 20 30 FHEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@@H+]1CCCC(C)(C)C#N ZINC000378539474 942872000 /nfs/dbraw/zinc/87/20/00/942872000.db2.gz ALXZHAAKTOMURA-HNNXBMFYSA-N 1 1 372.435 3.766 20 30 FHEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@H+]1CCCC(C)(C)C#N ZINC000378539474 942872001 /nfs/dbraw/zinc/87/20/01/942872001.db2.gz ALXZHAAKTOMURA-HNNXBMFYSA-N 1 1 372.435 3.766 20 30 FHEDMO COc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1OCCCC#N ZINC000430081899 942892425 /nfs/dbraw/zinc/89/24/25/942892425.db2.gz CQNGJXDNOFGUON-MSOLQXFVSA-N 1 1 350.409 3.855 20 30 FHEDMO C=CCOc1cccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000430094216 942907047 /nfs/dbraw/zinc/90/70/47/942907047.db2.gz KVQOGOCXSXFKAM-UHFFFAOYSA-N 1 1 354.425 3.654 20 30 FHEDMO C=CCOc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000430094216 942907054 /nfs/dbraw/zinc/90/70/54/942907054.db2.gz KVQOGOCXSXFKAM-UHFFFAOYSA-N 1 1 354.425 3.654 20 30 FHEDMO COc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1OCCCC#N ZINC000378629075 942972165 /nfs/dbraw/zinc/97/21/65/942972165.db2.gz DCWJKHCBYSMYHK-FQEVSTJZSA-N 1 1 365.477 3.837 20 30 FHEDMO CC[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(F)cc1F ZINC000434882061 943027578 /nfs/dbraw/zinc/02/75/78/943027578.db2.gz ZFRCUKXKDCFLGU-HOTGVXAUSA-N 1 1 361.417 3.744 20 30 FHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000505561674 943037295 /nfs/dbraw/zinc/03/72/95/943037295.db2.gz JMDZKCPKSJLAOH-HXUWFJFHSA-N 1 1 353.491 3.639 20 30 FHEDMO C[NH+](C)[C@H](CNC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccco1 ZINC000514517417 943076826 /nfs/dbraw/zinc/07/68/26/943076826.db2.gz IPHIXCMQBNDEEB-OAQYLSRUSA-N 1 1 358.441 3.712 20 30 FHEDMO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272222070 943116723 /nfs/dbraw/zinc/11/67/23/943116723.db2.gz CFCLKMOOUVIBFP-XLIONFOSSA-N 1 1 362.477 3.785 20 30 FHEDMO C[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000272514016 943169534 /nfs/dbraw/zinc/16/95/34/943169534.db2.gz GPJPCMVGRRURMD-GFCCVEGCSA-N 1 1 354.281 3.796 20 30 FHEDMO N#Cc1ccc(Cl)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000503477603 943211000 /nfs/dbraw/zinc/21/10/00/943211000.db2.gz DGPUBWKMNJPWIU-KRWDZBQOSA-N 1 1 357.841 3.762 20 30 FHEDMO N#Cc1ccc(Cl)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000503477604 943211166 /nfs/dbraw/zinc/21/11/66/943211166.db2.gz DGPUBWKMNJPWIU-QGZVFWFLSA-N 1 1 357.841 3.762 20 30 FHEDMO N#CC1(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)CCCCC1 ZINC000503563342 943249020 /nfs/dbraw/zinc/24/90/20/943249020.db2.gz SLTBXPNYLBIRPS-HXUWFJFHSA-N 1 1 351.494 3.871 20 30 FHEDMO N#CC1(NC(=O)C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)CCCCC1 ZINC000503563341 943249253 /nfs/dbraw/zinc/24/92/53/943249253.db2.gz SLTBXPNYLBIRPS-FQEVSTJZSA-N 1 1 351.494 3.871 20 30 FHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466929071 943251617 /nfs/dbraw/zinc/25/16/17/943251617.db2.gz NBUIQMNFDZONLI-KRWDZBQOSA-N 1 1 369.534 3.918 20 30 FHEDMO N#CCCC[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000431914278 943267755 /nfs/dbraw/zinc/26/77/55/943267755.db2.gz QDWIKNIYKMDPIF-WOJBJXKFSA-N 1 1 354.498 3.738 20 30 FHEDMO C[C@@]1(CNc2c(C#N)nnc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000312396183 943283358 /nfs/dbraw/zinc/28/33/58/943283358.db2.gz DISQZCLGDNXURG-QFIPXVFZSA-N 1 1 357.461 3.826 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 ZINC000435262962 943288927 /nfs/dbraw/zinc/28/89/27/943288927.db2.gz MXBBAJUGCJBRAF-INIZCTEOSA-N 1 1 370.456 3.961 20 30 FHEDMO C=CCC[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000435281042 943300313 /nfs/dbraw/zinc/30/03/13/943300313.db2.gz PMVKJWPNEBRCCZ-FCHUYYIVSA-N 1 1 364.489 3.711 20 30 FHEDMO C=CCC[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000435281042 943300316 /nfs/dbraw/zinc/30/03/16/943300316.db2.gz PMVKJWPNEBRCCZ-FCHUYYIVSA-N 1 1 364.489 3.711 20 30 FHEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3-c3ccccc3C#N)C2)C1 ZINC000505671154 943350707 /nfs/dbraw/zinc/35/07/07/943350707.db2.gz VEMJMQBCNIBNCD-QHCPKHFHSA-N 1 1 359.473 3.783 20 30 FHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000505689630 943390834 /nfs/dbraw/zinc/39/08/34/943390834.db2.gz IQNHEQRYEOGWHL-CVEARBPZSA-N 1 1 358.486 3.730 20 30 FHEDMO C=CCN(CC=C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435629263 943528104 /nfs/dbraw/zinc/52/81/04/943528104.db2.gz XIGQVGKNYOABGT-UHFFFAOYSA-N 1 1 351.494 3.608 20 30 FHEDMO CCC[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000515135190 943528123 /nfs/dbraw/zinc/52/81/23/943528123.db2.gz YHDKGXXZWBYARW-UHFFFAOYSA-N 1 1 369.896 3.783 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000425401314 943549615 /nfs/dbraw/zinc/54/96/15/943549615.db2.gz PXROMKLSENOWTE-SFHVURJKSA-N 1 1 364.493 3.783 20 30 FHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ccccn3)sc2C1 ZINC000584825839 943696533 /nfs/dbraw/zinc/69/65/33/943696533.db2.gz JALDBNPJLVYILX-AWEZNQCLSA-N 1 1 368.506 3.600 20 30 FHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1N1CCOCC1 ZINC000584846132 943755351 /nfs/dbraw/zinc/75/53/51/943755351.db2.gz FCCDOEIXXZPIPL-UHFFFAOYSA-N 1 1 368.525 3.879 20 30 FHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1N1CCOCC1 ZINC000584846132 943755363 /nfs/dbraw/zinc/75/53/63/943755363.db2.gz FCCDOEIXXZPIPL-UHFFFAOYSA-N 1 1 368.525 3.879 20 30 FHEDMO C[N@@H+](CCOc1ccccc1F)Cc1ccc(C#N)cc1OC(F)F ZINC000437417196 943790857 /nfs/dbraw/zinc/79/08/57/943790857.db2.gz HCKOEQLTAWGTMD-UHFFFAOYSA-N 1 1 350.340 3.810 20 30 FHEDMO C=CC1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000435868218 943822586 /nfs/dbraw/zinc/82/25/86/943822586.db2.gz RMNRFSOFKAFWIV-UHFFFAOYSA-N 1 1 365.521 3.832 20 30 FHEDMO C=CCn1cc(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)nn1 ZINC000424294308 943823375 /nfs/dbraw/zinc/82/33/75/943823375.db2.gz KNJATEGKHHSPEM-MRXNPFEDSA-N 1 1 351.479 3.755 20 30 FHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000506055406 943836435 /nfs/dbraw/zinc/83/64/35/943836435.db2.gz DKMSBBHSHZGPQS-GOEBONIOSA-N 1 1 352.906 3.993 20 30 FHEDMO CC[N@H+](C[C@@H](C)C#N)C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000506055406 943836440 /nfs/dbraw/zinc/83/64/40/943836440.db2.gz DKMSBBHSHZGPQS-GOEBONIOSA-N 1 1 352.906 3.993 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000425412728 943838923 /nfs/dbraw/zinc/83/89/23/943838923.db2.gz FYQXSGRNHOOPED-ZWKOTPCHSA-N 1 1 356.514 3.773 20 30 FHEDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000424335027 943850401 /nfs/dbraw/zinc/85/04/01/943850401.db2.gz WHBMPYZKMRAQPM-MLGOLLRUSA-N 1 1 355.463 3.920 20 30 FHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000437567659 943925450 /nfs/dbraw/zinc/92/54/50/943925450.db2.gz JHWJPBMGWPZUKP-SFHVURJKSA-N 1 1 353.384 3.829 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000425438385 943937020 /nfs/dbraw/zinc/93/70/20/943937020.db2.gz ANYAUPWTSVWPNY-ZWKOTPCHSA-N 1 1 364.493 3.781 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000515509986 943941945 /nfs/dbraw/zinc/94/19/45/943941945.db2.gz AGRCUTNOUAFDLE-OAQYLSRUSA-N 1 1 369.509 3.987 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc4c(cccc4F)[nH]3)CC2)cc1 ZINC000437582937 943943066 /nfs/dbraw/zinc/94/30/66/943943066.db2.gz WHBNZPWBCZYEFJ-UHFFFAOYSA-N 1 1 362.452 3.887 20 30 FHEDMO C=CCN1CC[C@H]([N@@H+](C)CC/C=C\c2ccc(Br)cc2)C1=O ZINC000500008129 943944520 /nfs/dbraw/zinc/94/45/20/943944520.db2.gz INNOOPQANLKXFM-AATOQMJSSA-N 1 1 363.299 3.571 20 30 FHEDMO C=CCCc1ccccc1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000505001049 943952892 /nfs/dbraw/zinc/95/28/92/943952892.db2.gz NREQYPTVTXLXHH-KRWDZBQOSA-N 1 1 357.498 3.522 20 30 FHEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](CC)c2ccc(Br)cc2)C1=O ZINC000500017301 943956089 /nfs/dbraw/zinc/95/60/89/943956089.db2.gz UHWGZJLORHMRLQ-HOTGVXAUSA-N 1 1 351.288 3.619 20 30 FHEDMO C=CCN(C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H](C)COC ZINC000664519154 943976686 /nfs/dbraw/zinc/97/66/86/943976686.db2.gz HOOHLZMAXLKGAC-SVFBPWRDSA-N 1 1 373.541 3.520 20 30 FHEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccccc3OCC3CC3)CC2)cc1 ZINC000506099878 944030796 /nfs/dbraw/zinc/03/07/96/944030796.db2.gz XADOEZDKGABACN-UHFFFAOYSA-N 1 1 361.489 3.665 20 30 FHEDMO N#Cc1ccc(CN2CC[NH+](Cc3ccccc3OCC3CC3)CC2)cc1 ZINC000506099878 944030801 /nfs/dbraw/zinc/03/08/01/944030801.db2.gz XADOEZDKGABACN-UHFFFAOYSA-N 1 1 361.489 3.665 20 30 FHEDMO C=C[C@](C)(CCOC)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437887578 944187275 /nfs/dbraw/zinc/18/72/75/944187275.db2.gz FGZUXHVKWQOMFU-RBBKRZOGSA-N 1 1 358.526 3.586 20 30 FHEDMO C[C@]1(c2ccccc2)CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000500186177 944225477 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ZINC000548317985 932945383 /nfs/dbraw/zinc/94/53/83/932945383.db2.gz PSRKSXLGWGKTHK-IBGZPJMESA-N 1 1 371.843 3.918 20 30 FHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000328873199 933072458 /nfs/dbraw/zinc/07/24/58/933072458.db2.gz YTVFUNAWCFYYHC-WBVHZDCISA-N 1 1 360.502 3.636 20 30 FHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c(F)c(F)ccc1OC)C2 ZINC001143407259 933107841 /nfs/dbraw/zinc/10/78/41/933107841.db2.gz GWMBHFFPHWJJNR-AZUAARDMSA-N 1 1 367.436 3.547 20 30 FHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1c(F)c(F)ccc1OC)C2 ZINC001143407259 933107842 /nfs/dbraw/zinc/10/78/42/933107842.db2.gz GWMBHFFPHWJJNR-AZUAARDMSA-N 1 1 367.436 3.547 20 30 FHEDMO C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510719471 933517254 /nfs/dbraw/zinc/51/72/54/933517254.db2.gz KYNKTNBBBWYZKB-YLJYHZDGSA-N 1 1 362.477 3.980 20 30 FHEDMO N#Cc1ccc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)c(OC(F)F)c1 ZINC000610614095 933535755 /nfs/dbraw/zinc/53/57/55/933535755.db2.gz VXNJSAFXCXVDFJ-SFHVURJKSA-N 1 1 368.387 3.887 20 30 FHEDMO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH+]3CCC(C#N)CC3)o2)CC1 ZINC000891851943 933589178 /nfs/dbraw/zinc/58/91/78/933589178.db2.gz FCOXJJFEOFHFBA-UHFFFAOYSA-N 1 1 373.497 3.573 20 30 FHEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](OC)C2)cc1OC ZINC000091772576 933606431 /nfs/dbraw/zinc/60/64/31/933606431.db2.gz ZABRFULFWDTXEK-AWEZNQCLSA-N 1 1 370.287 3.633 20 30 FHEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](OC)C2)cc1OC ZINC000091772576 933606440 /nfs/dbraw/zinc/60/64/40/933606440.db2.gz ZABRFULFWDTXEK-AWEZNQCLSA-N 1 1 370.287 3.633 20 30 FHEDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092400365 934035319 /nfs/dbraw/zinc/03/53/19/934035319.db2.gz GVPAERALIFKURI-ICSRJNTNSA-N 1 1 371.525 3.886 20 30 FHEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092730699 934150649 /nfs/dbraw/zinc/15/06/49/934150649.db2.gz KRDZDLDBASIDEH-UYAOXDASSA-N 1 1 371.525 3.886 20 30 FHEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092730703 934150742 /nfs/dbraw/zinc/15/07/42/934150742.db2.gz KRDZDLDBASIDEH-QUCCMNQESA-N 1 1 371.525 3.886 20 30 FHEDMO C=CCc1cc(C[N@@H+]2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)cc(OC)c1O ZINC000092730715 934150898 /nfs/dbraw/zinc/15/08/98/934150898.db2.gz UVRINHYGTKSHCU-LPHOPBHVSA-N 1 1 374.525 3.646 20 30 FHEDMO C=CCOc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1OC ZINC000535788938 934380635 /nfs/dbraw/zinc/38/06/35/934380635.db2.gz INZMDBIGMGAFQR-UHFFFAOYSA-N 1 1 366.461 3.524 20 30 FHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1C#N ZINC000091072159 934463422 /nfs/dbraw/zinc/46/34/22/934463422.db2.gz AXJANRZRDAEDJS-MRXNPFEDSA-N 1 1 360.461 3.821 20 30 FHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1C#N ZINC000091072159 934463428 /nfs/dbraw/zinc/46/34/28/934463428.db2.gz AXJANRZRDAEDJS-MRXNPFEDSA-N 1 1 360.461 3.821 20 30 FHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000535820765 934507192 /nfs/dbraw/zinc/50/71/92/934507192.db2.gz PKYAWHCXJNNOMQ-SFHVURJKSA-N 1 1 369.472 3.726 20 30 FHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182960167 934520544 /nfs/dbraw/zinc/52/05/44/934520544.db2.gz CUNBEXFDOJSVKN-UHFFFAOYSA-N 1 1 369.553 3.812 20 30 FHEDMO FC(F)Oc1ccccc1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255420342 934570296 /nfs/dbraw/zinc/57/02/96/934570296.db2.gz LWMURUAUPVYMCC-UHFFFAOYSA-N 1 1 362.376 3.675 20 30 FHEDMO C[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000535834083 934572237 /nfs/dbraw/zinc/57/22/37/934572237.db2.gz BCLGGIVXEBPKNX-OAHLLOKOSA-N 1 1 360.461 3.518 20 30 FHEDMO C[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[N@H+]1CCc2ccccc2C1 ZINC000535834083 934572241 /nfs/dbraw/zinc/57/22/41/934572241.db2.gz BCLGGIVXEBPKNX-OAHLLOKOSA-N 1 1 360.461 3.518 20 30 FHEDMO C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413421430 934597851 /nfs/dbraw/zinc/59/78/51/934597851.db2.gz WZAKMIUAWIYSQK-OQMKEHIESA-N 1 1 353.388 3.648 20 30 FHEDMO C[C@@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000610986427 934689777 /nfs/dbraw/zinc/68/97/77/934689777.db2.gz PRYNRMAGYUCYJY-UTKZUKDTSA-N 1 1 374.488 3.510 20 30 FHEDMO COc1cc(C[N@H+]2CCCOC[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000610990676 934721153 /nfs/dbraw/zinc/72/11/53/934721153.db2.gz HDGUPHFSTZYBHA-QGZVFWFLSA-N 1 1 366.461 3.757 20 30 FHEDMO C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156661299 934839349 /nfs/dbraw/zinc/83/93/49/934839349.db2.gz NUUMTMKQPXMRGS-NMNUPHIUSA-N 1 1 363.505 3.577 20 30 FHEDMO C[C@H]1C[C@H](N(C)C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156661299 934839352 /nfs/dbraw/zinc/83/93/52/934839352.db2.gz NUUMTMKQPXMRGS-NMNUPHIUSA-N 1 1 363.505 3.577 20 30 FHEDMO C[C@H]1C[C@H](N(C)C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156661299 934839360 /nfs/dbraw/zinc/83/93/60/934839360.db2.gz NUUMTMKQPXMRGS-NMNUPHIUSA-N 1 1 363.505 3.577 20 30 FHEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000563154233 934859393 /nfs/dbraw/zinc/85/93/93/934859393.db2.gz ITIDYWRIXZNVGM-CYBMUJFWSA-N 1 1 354.483 3.682 20 30 FHEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000563154233 934859398 /nfs/dbraw/zinc/85/93/98/934859398.db2.gz ITIDYWRIXZNVGM-CYBMUJFWSA-N 1 1 354.483 3.682 20 30 FHEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000156710226 934896748 /nfs/dbraw/zinc/89/67/48/934896748.db2.gz GAUXZEOGYMAUMS-AABGKKOBSA-N 1 1 354.450 3.553 20 30 FHEDMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000119632363 934955253 /nfs/dbraw/zinc/95/52/53/934955253.db2.gz QNGCJNZMSCVUFG-UHFFFAOYSA-N 1 1 374.400 3.875 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1ccc(F)c(F)c1 ZINC000187754520 935063934 /nfs/dbraw/zinc/06/39/34/935063934.db2.gz XDVSSABQGIIZRI-QGZVFWFLSA-N 1 1 351.784 3.859 20 30 FHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C12CCCCC2 ZINC001167538304 935150205 /nfs/dbraw/zinc/15/02/05/935150205.db2.gz BDVKZHQHSBVTTL-MOPGFXCFSA-N 1 1 355.482 3.556 20 30 FHEDMO N#Cc1cc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)ccc1F ZINC000119784314 935223097 /nfs/dbraw/zinc/22/30/97/935223097.db2.gz UJVVDBVCDAGEKR-UHFFFAOYSA-N 1 1 363.396 3.522 20 30 FHEDMO CC(C)(C)OC1CC([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000450888431 935230619 /nfs/dbraw/zinc/23/06/19/935230619.db2.gz MMXDHPWLOHMADW-ACBHZAAOSA-N 1 1 361.917 3.868 20 30 FHEDMO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472162820 935257744 /nfs/dbraw/zinc/25/77/44/935257744.db2.gz XTZLJFVWZVMLHT-GOSISDBHSA-N 1 1 357.889 3.527 20 30 FHEDMO CC[N@@H+](C)[C@H](C(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000551347343 935260683 /nfs/dbraw/zinc/26/06/83/935260683.db2.gz TXWXKBGXFNGTDV-FQEVSTJZSA-N 1 1 367.518 3.601 20 30 FHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCSC[C@@H]1C ZINC000934300642 935298848 /nfs/dbraw/zinc/29/88/48/935298848.db2.gz DDOJSMNAEWBNLS-GJZGRUSLSA-N 1 1 363.552 3.704 20 30 FHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCSC[C@@H]1C ZINC000934300642 935298852 /nfs/dbraw/zinc/29/88/52/935298852.db2.gz DDOJSMNAEWBNLS-GJZGRUSLSA-N 1 1 363.552 3.704 20 30 FHEDMO C=CCn1c(SCCCn2cc[nH+]c2C)nc2cc(Cl)ccc2c1=O ZINC000511082801 935321907 /nfs/dbraw/zinc/32/19/07/935321907.db2.gz UVPIAXVCXXZNGW-UHFFFAOYSA-N 1 1 374.897 3.923 20 30 FHEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccccc3CC#N)cc2)C[C@H](C)O1 ZINC000582145708 935342419 /nfs/dbraw/zinc/34/24/19/935342419.db2.gz RMRVBCXZVDTNHI-IRXDYDNUSA-N 1 1 363.461 3.614 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3CC#N)cc2)C[C@H](C)O1 ZINC000582145706 935342543 /nfs/dbraw/zinc/34/25/43/935342543.db2.gz RMRVBCXZVDTNHI-CALCHBBNSA-N 1 1 363.461 3.614 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3CC#N)cc2)C[C@H](C)O1 ZINC000582145706 935342547 /nfs/dbraw/zinc/34/25/47/935342547.db2.gz RMRVBCXZVDTNHI-CALCHBBNSA-N 1 1 363.461 3.614 20 30 FHEDMO Cn1c2ccccc2nc1C(C#N)=C(O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000582188143 935386754 /nfs/dbraw/zinc/38/67/54/935386754.db2.gz MXNKXJWHHQHGBN-GOSISDBHSA-N 1 1 358.445 3.659 20 30 FHEDMO Cc1ccc(C#N)cc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469528546 945105935 /nfs/dbraw/zinc/10/59/35/945105935.db2.gz FWDZVFAVRBTLPM-UHFFFAOYSA-N 1 1 353.332 3.637 20 30 FHEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511111898 935621583 /nfs/dbraw/zinc/62/15/83/935621583.db2.gz WOTXREGEWVCCBB-GOEBONIOSA-N 1 1 367.415 3.645 20 30 FHEDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(OC[C@@H]2CCCO2)c1 ZINC000329067319 935786586 /nfs/dbraw/zinc/78/65/86/935786586.db2.gz LXBYOMUZMNIDKN-YQVWRLOYSA-N 1 1 373.497 3.506 20 30 FHEDMO CC(C)Sc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000511153337 935807993 /nfs/dbraw/zinc/80/79/93/935807993.db2.gz FSSMMHQSCBBLFZ-INIZCTEOSA-N 1 1 367.522 3.559 20 30 FHEDMO CC(C)Sc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000511153337 935807995 /nfs/dbraw/zinc/80/79/95/935807995.db2.gz FSSMMHQSCBBLFZ-INIZCTEOSA-N 1 1 367.522 3.559 20 30 FHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccnn1C(C)C)c1ccc(F)c(F)c1 ZINC000187764792 935987652 /nfs/dbraw/zinc/98/76/52/935987652.db2.gz MQNDAVVRQZUJLT-SCLBCKFNSA-N 1 1 362.424 3.976 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(F)c(F)c1 ZINC000187765633 936011963 /nfs/dbraw/zinc/01/19/63/936011963.db2.gz VETVCTJRUNRLMQ-WIYYLYMNSA-N 1 1 372.415 3.812 20 30 FHEDMO CCN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000582733700 936026915 /nfs/dbraw/zinc/02/69/15/936026915.db2.gz AFGMUIMILGOAJA-PGRDOPGGSA-N 1 1 361.489 3.990 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529560 936129574 /nfs/dbraw/zinc/12/95/74/936129574.db2.gz HWZXNURGBPYFEB-CYBMUJFWSA-N 1 1 372.266 3.780 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529560 936129576 /nfs/dbraw/zinc/12/95/76/936129576.db2.gz HWZXNURGBPYFEB-CYBMUJFWSA-N 1 1 372.266 3.780 20 30 FHEDMO CC[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000472261031 936133190 /nfs/dbraw/zinc/13/31/90/936133190.db2.gz PXHNXIVPXAFMKM-UNMCSNQZSA-N 1 1 361.489 3.690 20 30 FHEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000277953242 936245168 /nfs/dbraw/zinc/24/51/68/936245168.db2.gz JYNPMEPMVYHZCU-UHFFFAOYSA-N 1 1 370.840 3.990 20 30 FHEDMO Cc1nsc(N2CC[NH+](Cc3c(C)oc4ccccc43)CC2)c1C#N ZINC000583472567 938269171 /nfs/dbraw/zinc/26/91/71/938269171.db2.gz PPTUAKPUGRICLD-UHFFFAOYSA-N 1 1 352.463 3.700 20 30 FHEDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000329199534 938285290 /nfs/dbraw/zinc/28/52/90/938285290.db2.gz XANBXALYNCOWDN-MJGOQNOKSA-N 1 1 371.481 3.775 20 30 FHEDMO N#Cc1ccc(-c2ccccc2)nc1SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583519604 938287809 /nfs/dbraw/zinc/28/78/09/938287809.db2.gz LBSWJCHABZJQPQ-HDICACEKSA-N 1 1 351.475 3.576 20 30 FHEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245617795 938308148 /nfs/dbraw/zinc/30/81/48/938308148.db2.gz 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C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246742957 938396884 /nfs/dbraw/zinc/39/68/84/938396884.db2.gz OGYXGVFQSNLESJ-BZUAXINKSA-N 1 1 360.527 3.885 20 30 FHEDMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000052580360 938407228 /nfs/dbraw/zinc/40/72/28/938407228.db2.gz RGOQECXNXJQXRF-OAHLLOKOSA-N 1 1 355.869 3.863 20 30 FHEDMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000052580360 938407230 /nfs/dbraw/zinc/40/72/30/938407230.db2.gz RGOQECXNXJQXRF-OAHLLOKOSA-N 1 1 355.869 3.863 20 30 FHEDMO CC[N@@H+](CCNC(=O)c1cc(C(F)(F)F)ccc1F)CCC(F)(F)F ZINC000427207378 945176176 /nfs/dbraw/zinc/17/61/76/945176176.db2.gz VMBBVKUKQPBNDK-UHFFFAOYSA-N 1 1 374.300 3.849 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000329533458 938466760 /nfs/dbraw/zinc/46/67/60/938466760.db2.gz YBINOBVIFGTXIL-MOPGFXCFSA-N 1 1 360.546 3.756 20 30 FHEDMO Cc1cc(C)nc(NC(=O)[C@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000329595381 938509745 /nfs/dbraw/zinc/50/97/45/938509745.db2.gz BUIPNSARQXNMLO-NQIIRXRSSA-N 1 1 350.466 3.984 20 30 FHEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458793828 938593500 /nfs/dbraw/zinc/59/35/00/938593500.db2.gz AAAKSKAYBKYRCN-QUCCMNQESA-N 1 1 356.514 3.795 20 30 FHEDMO C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C1([NH+]2CCOCC2)CCCC1 ZINC000329675266 938600787 /nfs/dbraw/zinc/60/07/87/938600787.db2.gz UHYYYYJVIGNKLS-AWEZNQCLSA-N 1 1 359.445 3.645 20 30 FHEDMO N#Cc1ccc(Nc2cccc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)c2)cc1 ZINC000329697499 938626553 /nfs/dbraw/zinc/62/65/53/938626553.db2.gz YKGHRTAUCILESU-NRFANRHFSA-N 1 1 360.461 3.612 20 30 FHEDMO Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000506012819 945196102 /nfs/dbraw/zinc/19/61/02/945196102.db2.gz NXKOAWOCOIPAKL-UHFFFAOYSA-N 1 1 369.553 3.885 20 30 FHEDMO CC[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1nc(C)cs1 ZINC000278703804 938671126 /nfs/dbraw/zinc/67/11/26/938671126.db2.gz QZYIRICFEJELNE-QGZVFWFLSA-N 1 1 366.494 3.865 20 30 FHEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CC(C)(C)C#N ZINC000278731873 938698458 /nfs/dbraw/zinc/69/84/58/938698458.db2.gz KXLKBDXUTNOJEJ-GOSISDBHSA-N 1 1 365.481 3.517 20 30 FHEDMO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC(C(F)(F)F)CC1)C2 ZINC000329777657 938713905 /nfs/dbraw/zinc/71/39/05/938713905.db2.gz PHYAQUDNDFMTQD-ZDUSSCGKSA-N 1 1 372.435 3.684 20 30 FHEDMO COC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1F ZINC000089124659 938853795 /nfs/dbraw/zinc/85/37/95/938853795.db2.gz HCXNKOQKTONEBV-UHFFFAOYSA-N 1 1 368.408 3.527 20 30 FHEDMO CC[N@@H+](CCC1CCN(C(=O)C2(C#N)CCSCC2)CC1)CC(C)C ZINC000935231582 938858713 /nfs/dbraw/zinc/85/87/13/938858713.db2.gz QAFROUNDNCFPIU-UHFFFAOYSA-N 1 1 365.587 3.630 20 30 FHEDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997118 938867198 /nfs/dbraw/zinc/86/71/98/938867198.db2.gz KUWBYNZNMPYKFR-MOPGFXCFSA-N 1 1 353.853 3.581 20 30 FHEDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997118 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YUVCUVDNQNBLFH-CEMLEFRQSA-N 1 1 374.488 3.980 20 30 FHEDMO CC(C)c1nccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000375786915 939067270 /nfs/dbraw/zinc/06/72/70/939067270.db2.gz DLCVBLQUMFTISS-IBGZPJMESA-N 1 1 365.481 3.544 20 30 FHEDMO N#CC1(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000612132363 939123631 /nfs/dbraw/zinc/12/36/31/939123631.db2.gz KZTGVXKYBAQUPB-NJDAHSKKSA-N 1 1 365.521 3.877 20 30 FHEDMO CC[N@@H+](Cc1cc(OC)c2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000179463389 939169721 /nfs/dbraw/zinc/16/97/21/939169721.db2.gz YNXOEVGMINCVOF-OAHLLOKOSA-N 1 1 352.434 3.921 20 30 FHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccccc1C#N ZINC000255766394 939177533 /nfs/dbraw/zinc/17/75/33/939177533.db2.gz FDTVGNOMVCRNJS-SQZREULQSA-N 1 1 373.500 3.942 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000506443814 945241174 /nfs/dbraw/zinc/24/11/74/945241174.db2.gz IGYPYZDERFRUGI-UHFFFAOYSA-N 1 1 368.452 3.739 20 30 FHEDMO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000506443814 945241181 /nfs/dbraw/zinc/24/11/81/945241181.db2.gz IGYPYZDERFRUGI-UHFFFAOYSA-N 1 1 368.452 3.739 20 30 FHEDMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3cccc(C#N)c3)ccc2c1 ZINC000017307160 945246313 /nfs/dbraw/zinc/24/63/13/945246313.db2.gz SVOSXCDTUGEVSQ-UHFFFAOYSA-N 1 1 359.429 3.791 20 30 FHEDMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3cccc(C#N)c3)ccc2c1 ZINC000017307160 945246318 /nfs/dbraw/zinc/24/63/18/945246318.db2.gz SVOSXCDTUGEVSQ-UHFFFAOYSA-N 1 1 359.429 3.791 20 30 FHEDMO N#Cc1cccc(F)c1CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000507468270 945255103 /nfs/dbraw/zinc/25/51/03/945255103.db2.gz YZVGFILUGQEPIW-UHFFFAOYSA-N 1 1 372.469 3.711 20 30 FHEDMO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000179525260 939883009 /nfs/dbraw/zinc/88/30/09/939883009.db2.gz PTXBQLHASIRIJV-FKIZTMCRSA-N 1 1 361.489 3.808 20 30 FHEDMO C[C@@H](C#N)Oc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000179525260 939883015 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368.525 3.622 20 30 FHEDMO Cc1cnn(C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)c1 ZINC000365043180 940043415 /nfs/dbraw/zinc/04/34/15/940043415.db2.gz KCWAQQOQOOMYBU-UHFFFAOYSA-N 1 1 359.271 3.663 20 30 FHEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1 ZINC000548928296 940053421 /nfs/dbraw/zinc/05/34/21/940053421.db2.gz VNZZKBWMZQDRNS-KOUNCHBCSA-N 1 1 359.473 3.585 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)/C=C\c1ccccc1C#N ZINC000255865411 940057405 /nfs/dbraw/zinc/05/74/05/940057405.db2.gz ZFKSTWSVUVCBKN-HSNDNRACSA-N 1 1 359.473 3.694 20 30 FHEDMO Cn1cc(C[N@@H+](C)CCCOc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179941512 940147267 /nfs/dbraw/zinc/14/72/67/940147267.db2.gz FAQIUAYYXDSTIJ-UHFFFAOYSA-N 1 1 360.461 3.860 20 30 FHEDMO C=CCOc1c(Br)cc(C[NH2+]CC(C)(C)C#N)cc1OC ZINC000612585352 940162315 /nfs/dbraw/zinc/16/23/15/940162315.db2.gz YUCKLIZPJJYDIV-UHFFFAOYSA-N 1 1 353.260 3.662 20 30 FHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000413833537 940166555 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CC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000177115231 941101289 /nfs/dbraw/zinc/10/12/89/941101289.db2.gz FKDMKQJBABCVKX-UHFFFAOYSA-N 1 1 354.881 3.915 20 30 FHEDMO CC(C)COC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181000613 941101671 /nfs/dbraw/zinc/10/16/71/941101671.db2.gz JYCPYTRBTLODCP-UHFFFAOYSA-N 1 1 351.288 3.958 20 30 FHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000177393207 941120822 /nfs/dbraw/zinc/12/08/22/941120822.db2.gz IJODSBFRKRCVQE-QGZVFWFLSA-N 1 1 367.474 3.686 20 30 FHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177544288 941133496 /nfs/dbraw/zinc/13/34/96/941133496.db2.gz QJPZSEWYSAQEAZ-FHLIZLRMSA-N 1 1 351.475 3.603 20 30 FHEDMO O=C(Nc1ccc(F)cc1)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000178508408 941268186 /nfs/dbraw/zinc/26/81/86/941268186.db2.gz PYVYOTOQDWVEBG-UHFFFAOYSA-N 1 1 369.415 3.602 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000178571223 941279050 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/nfs/dbraw/zinc/43/21/08/942432108.db2.gz GHMMJKOQLMNKBW-UHFFFAOYSA-N 1 1 356.510 3.530 20 30 FHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000502462291 942462821 /nfs/dbraw/zinc/46/28/21/942462821.db2.gz GBZODVOXHLUXLR-MRXNPFEDSA-N 1 1 351.450 3.660 20 30 FHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000502462291 942462824 /nfs/dbraw/zinc/46/28/24/942462824.db2.gz GBZODVOXHLUXLR-MRXNPFEDSA-N 1 1 351.450 3.660 20 30 FHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000502469167 942467646 /nfs/dbraw/zinc/46/76/46/942467646.db2.gz ROHHFKKJEJTVEE-PXNSSMCTSA-N 1 1 350.462 3.703 20 30 FHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000502469167 942467649 /nfs/dbraw/zinc/46/76/49/942467649.db2.gz ROHHFKKJEJTVEE-PXNSSMCTSA-N 1 1 350.462 3.703 20 30 FHEDMO N#Cc1ccc(Cl)c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000424999885 942481173 /nfs/dbraw/zinc/48/11/73/942481173.db2.gz AIGXYBXBTUIYOT-FXAWDEMLSA-N 1 1 365.864 3.558 20 30 FHEDMO N#CCCN(C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502506264 942484120 /nfs/dbraw/zinc/48/41/20/942484120.db2.gz GOYOJNOCQASXIF-UHFFFAOYSA-N 1 1 370.456 3.594 20 30 FHEDMO N#CCCN(C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502506264 942484123 /nfs/dbraw/zinc/48/41/23/942484123.db2.gz GOYOJNOCQASXIF-UHFFFAOYSA-N 1 1 370.456 3.594 20 30 FHEDMO COc1cc(Br)c(C[NH2+]Cc2ccc(C#N)s2)c(OC)c1 ZINC000421350517 942502045 /nfs/dbraw/zinc/50/20/45/942502045.db2.gz LBEJSHZPPMDNNK-UHFFFAOYSA-N 1 1 367.268 3.689 20 30 FHEDMO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502512728 942506690 /nfs/dbraw/zinc/50/66/90/942506690.db2.gz VCSWQEZCLWDJRD-KRWDZBQOSA-N 1 1 351.494 3.732 20 30 FHEDMO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502512728 942506696 /nfs/dbraw/zinc/50/66/96/942506696.db2.gz VCSWQEZCLWDJRD-KRWDZBQOSA-N 1 1 351.494 3.732 20 30 FHEDMO C[C@H](NC1(C[NH2+]Cc2ccc(C#N)c(F)c2)CCOCC1)c1ccccc1 ZINC000421365209 942517023 /nfs/dbraw/zinc/51/70/23/942517023.db2.gz QKCPQNLLCXCMPL-KRWDZBQOSA-N 1 1 367.468 3.687 20 30 FHEDMO C=C1CCC(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)CC1 ZINC001268966795 942604333 /nfs/dbraw/zinc/60/43/33/942604333.db2.gz DHZUYUDIJZICPC-LEWJYISDSA-N 1 1 361.574 3.528 20 30 FHEDMO N#C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@]12c1ccccc1NC2=O ZINC000513975088 942639769 /nfs/dbraw/zinc/63/97/69/942639769.db2.gz XGDHBARBENZEOL-XXBNENTESA-N 1 1 353.425 3.685 20 30 FHEDMO N#C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@]12c1ccccc1NC2=O ZINC000513975088 942639772 /nfs/dbraw/zinc/63/97/72/942639772.db2.gz XGDHBARBENZEOL-XXBNENTESA-N 1 1 353.425 3.685 20 30 FHEDMO N#Cc1ccc(N2CC[NH+](CCSc3ccc(F)cc3)CC2)c(F)c1 ZINC000514007925 942682636 /nfs/dbraw/zinc/68/26/36/942682636.db2.gz VXTPHNLSWCRHLH-UHFFFAOYSA-N 1 1 359.445 3.751 20 30 FHEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCN(Cc2ccncc2)CC1 ZINC000378386194 942697601 /nfs/dbraw/zinc/69/76/01/942697601.db2.gz UGVZMYYKOSWHLS-UHFFFAOYSA-N 1 1 353.897 3.683 20 30 FHEDMO CN(CC#Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000378386194 942697606 /nfs/dbraw/zinc/69/76/06/942697606.db2.gz UGVZMYYKOSWHLS-UHFFFAOYSA-N 1 1 353.897 3.683 20 30 FHEDMO Cc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cn2cc[nH+]c12 ZINC000502753747 942718208 /nfs/dbraw/zinc/71/82/08/942718208.db2.gz QAJMCLBFFYNWKF-UHFFFAOYSA-N 1 1 370.416 3.672 20 30 FHEDMO C=CCN(C(=O)N[C@@H](C)c1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363821195 942753209 /nfs/dbraw/zinc/75/32/09/942753209.db2.gz LTXDIMRUTPGNRF-RXVVDRJESA-N 1 1 364.493 3.615 20 30 FHEDMO C[C@H]([NH2+]CC1(N2CCN(C)CC2)CCCCCC1)c1ccc(C#N)s1 ZINC000378454638 942781517 /nfs/dbraw/zinc/78/15/17/942781517.db2.gz QSGKGYUBFGAXIH-KRWDZBQOSA-N 1 1 360.571 3.611 20 30 FHEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c(C#N)c1C ZINC000434665378 942852445 /nfs/dbraw/zinc/85/24/45/942852445.db2.gz MDAOGYAMKSKPPQ-GOSISDBHSA-N 1 1 351.450 3.804 20 30 FHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2CCc2ccccc2)c(C#N)c1C ZINC000434665378 942852449 /nfs/dbraw/zinc/85/24/49/942852449.db2.gz MDAOGYAMKSKPPQ-GOSISDBHSA-N 1 1 351.450 3.804 20 30 FHEDMO C[N@H+]1CCC[C@@H](CNc2c(C#N)cnc3c(Br)cccc32)C1 ZINC000584568589 942857039 /nfs/dbraw/zinc/85/70/39/942857039.db2.gz VMNRZFOOZIYBPT-LBPRGKRZSA-N 1 1 359.271 3.623 20 30 FHEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(C#N)c1C ZINC000434703788 942872258 /nfs/dbraw/zinc/87/22/58/942872258.db2.gz BEUFTCGZLZVPBG-QGZVFWFLSA-N 1 1 355.413 3.553 20 30 FHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(C#N)c1C ZINC000434703788 942872263 /nfs/dbraw/zinc/87/22/63/942872263.db2.gz BEUFTCGZLZVPBG-QGZVFWFLSA-N 1 1 355.413 3.553 20 30 FHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000544112843 942898211 /nfs/dbraw/zinc/89/82/11/942898211.db2.gz PSKPXHWFWGIAQY-SJORKVTESA-N 1 1 357.498 3.698 20 30 FHEDMO C=CCc1cc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)cc(OC)c1O ZINC000378651705 943001593 /nfs/dbraw/zinc/00/15/93/943001593.db2.gz SIUNCRNESLZOCT-NRFANRHFSA-N 1 1 363.461 3.742 20 30 FHEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271964655 943075675 /nfs/dbraw/zinc/07/56/75/943075675.db2.gz SINICYYCEYTHLV-IRLDBZIGSA-N 1 1 371.484 3.998 20 30 FHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435040776 943107803 /nfs/dbraw/zinc/10/78/03/943107803.db2.gz NHYJAVXRSSCSSX-UHFFFAOYSA-N 1 1 361.489 3.746 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000272365605 943144254 /nfs/dbraw/zinc/14/42/54/943144254.db2.gz CMWZYNQIIHNAKV-GOSISDBHSA-N 1 1 368.525 3.896 20 30 FHEDMO COCC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1ccco1 ZINC000272515510 943169646 /nfs/dbraw/zinc/16/96/46/943169646.db2.gz WUAUOOFSSLYERP-IEBWSBKVSA-N 1 1 369.465 3.591 20 30 FHEDMO C=CCOc1c(Br)cc(C[N@H+](C)C(C)(C)COC)cc1OC ZINC000430127515 943220713 /nfs/dbraw/zinc/22/07/13/943220713.db2.gz RMQXPVAWKPBOOI-UHFFFAOYSA-N 1 1 372.303 3.879 20 30 FHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000514707651 943235219 /nfs/dbraw/zinc/23/52/19/943235219.db2.gz HOAIRBBGKIMDGE-AWEZNQCLSA-N 1 1 363.864 3.552 20 30 FHEDMO C=C(C)Cn1c(CC)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000514786644 943289680 /nfs/dbraw/zinc/28/96/80/943289680.db2.gz SXRXBUPDAJOFGW-GOSISDBHSA-N 1 1 353.514 3.517 20 30 FHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431918806 943333239 /nfs/dbraw/zinc/33/32/39/943333239.db2.gz MCCOZRUZRGJHGV-WSTZPKSXSA-N 1 1 356.514 3.984 20 30 FHEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cn2)CC2CCC2)c(OC)c1 ZINC000566416345 943340664 /nfs/dbraw/zinc/34/06/64/943340664.db2.gz GVTNUPGXBSDTLP-UHFFFAOYSA-N 1 1 351.450 3.773 20 30 FHEDMO C=CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1c[nH]c2ccccc12 ZINC001269959629 943419277 /nfs/dbraw/zinc/41/92/77/943419277.db2.gz HVALMDGVJXEFTB-YTQUADARSA-N 1 1 351.494 3.598 20 30 FHEDMO CC(C)Oc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1C#N ZINC000435683371 943544356 /nfs/dbraw/zinc/54/43/56/943544356.db2.gz PEKYLJWNEUKZBV-INIZCTEOSA-N 1 1 355.482 3.939 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000425401309 943549497 /nfs/dbraw/zinc/54/94/97/943549497.db2.gz PXROMKLSENOWTE-GOSISDBHSA-N 1 1 364.493 3.783 20 30 FHEDMO Cc1c(C[N@@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)cnn1C ZINC000516847487 943767323 /nfs/dbraw/zinc/76/73/23/943767323.db2.gz MZDCUKDVBQXAMS-UHFFFAOYSA-N 1 1 360.461 3.811 20 30 FHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000515293091 943778097 /nfs/dbraw/zinc/77/80/97/943778097.db2.gz GBFUVDZMVMWRNP-FZKQIMNGSA-N 1 1 363.914 3.758 20 30 FHEDMO Clc1ccc(C#CC[NH+]2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000506047647 943795032 /nfs/dbraw/zinc/79/50/32/943795032.db2.gz OCOIJFJGKLHKLB-UHFFFAOYSA-N 1 1 360.929 3.516 20 30 FHEDMO Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000894334796 943816968 /nfs/dbraw/zinc/81/69/68/943816968.db2.gz GZWDVLOPTCOCGE-QGZVFWFLSA-N 1 1 363.461 3.821 20 30 FHEDMO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000515355227 943820873 /nfs/dbraw/zinc/82/08/73/943820873.db2.gz DDICEWYGIROYQG-HSZRJFAPSA-N 1 1 371.484 3.696 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000425412720 943839237 /nfs/dbraw/zinc/83/92/37/943839237.db2.gz FYQXSGRNHOOPED-QZTJIDSGSA-N 1 1 356.514 3.773 20 30 FHEDMO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000424335026 943850651 /nfs/dbraw/zinc/85/06/51/943850651.db2.gz WHBMPYZKMRAQPM-LRDDRELGSA-N 1 1 355.463 3.920 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000425416219 943859680 /nfs/dbraw/zinc/85/96/80/943859680.db2.gz KUNLMKDVGXQMFV-IRXDYDNUSA-N 1 1 356.514 3.771 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000425424828 943886315 /nfs/dbraw/zinc/88/63/15/943886315.db2.gz NVEQKRURDIAAJU-ROUUACIJSA-N 1 1 356.514 3.915 20 30 FHEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000437581025 943934958 /nfs/dbraw/zinc/93/49/58/943934958.db2.gz KXOPOTXYOCGAHZ-GOSISDBHSA-N 1 1 366.427 3.600 20 30 FHEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000437594136 943937133 /nfs/dbraw/zinc/93/71/33/943937133.db2.gz VPMFPMCDGHPVGY-FQEVSTJZSA-N 1 1 373.460 3.611 20 30 FHEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000504983201 943942671 /nfs/dbraw/zinc/94/26/71/943942671.db2.gz ODRFUIMIKBFNGK-LBPRGKRZSA-N 1 1 374.897 3.841 20 30 FHEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000504983201 943942675 /nfs/dbraw/zinc/94/26/75/943942675.db2.gz ODRFUIMIKBFNGK-LBPRGKRZSA-N 1 1 374.897 3.841 20 30 FHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](CC)c2ccc(Br)cc2)C1=O ZINC000500017303 943955716 /nfs/dbraw/zinc/95/57/16/943955716.db2.gz UHWGZJLORHMRLQ-JKSUJKDBSA-N 1 1 351.288 3.619 20 30 FHEDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cccc(SCC#N)c1 ZINC000364175902 943985043 /nfs/dbraw/zinc/98/50/43/943985043.db2.gz JIAZIMHARQAEJZ-KRWDZBQOSA-N 1 1 368.506 3.927 20 30 FHEDMO C=CCCc1ccccc1NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000505036065 943992995 /nfs/dbraw/zinc/99/29/95/943992995.db2.gz RVJRNQKKBYTBHL-NSHGMRRFSA-N 1 1 371.525 3.911 20 30 FHEDMO C=CCCc1ccccc1NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000505036065 943993001 /nfs/dbraw/zinc/99/30/01/943993001.db2.gz RVJRNQKKBYTBHL-NSHGMRRFSA-N 1 1 371.525 3.911 20 30 FHEDMO C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000505036066 943993128 /nfs/dbraw/zinc/99/31/28/943993128.db2.gz RVJRNQKKBYTBHL-QWFCFKBJSA-N 1 1 371.525 3.911 20 30 FHEDMO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000437637296 944004660 /nfs/dbraw/zinc/00/46/60/944004660.db2.gz CVXZNEBKWIZZJK-HSZRJFAPSA-N 1 1 366.505 3.713 20 30 FHEDMO C=CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000364196843 944033078 /nfs/dbraw/zinc/03/30/78/944033078.db2.gz SBGQBHPZWJACRO-FKBYEOEOSA-N 1 1 363.505 3.893 20 30 FHEDMO CCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515626814 944058906 /nfs/dbraw/zinc/05/89/06/944058906.db2.gz ALOBCACGQVHZNG-IBGZPJMESA-N 1 1 366.440 3.826 20 30 FHEDMO Cc1csc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1C#N ZINC000515667771 944095923 /nfs/dbraw/zinc/09/59/23/944095923.db2.gz TXJGCPBENLOPDQ-GFCCVEGCSA-N 1 1 360.508 3.558 20 30 FHEDMO Cc1csc(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1C#N ZINC000515667771 944095932 /nfs/dbraw/zinc/09/59/32/944095932.db2.gz TXJGCPBENLOPDQ-GFCCVEGCSA-N 1 1 360.508 3.558 20 30 FHEDMO CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000517199545 944096686 /nfs/dbraw/zinc/09/66/86/944096686.db2.gz ZEBACPSZQRVURP-LPHOPBHVSA-N 1 1 363.452 3.588 20 30 FHEDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000500107520 944111502 /nfs/dbraw/zinc/11/15/02/944111502.db2.gz CJEPOZTUURMSAJ-NRFANRHFSA-N 1 1 362.477 3.557 20 30 FHEDMO C[N@@H+](CCCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C1CCCCC1 ZINC000505219300 944132853 /nfs/dbraw/zinc/13/28/53/944132853.db2.gz KXNMOEWNUMKBGG-UHFFFAOYSA-N 1 1 359.489 3.746 20 30 FHEDMO C=C(C)COc1cc(C[N@@H+]2CC=C(c3ccnn3C)CC2)ccc1OC ZINC000515710369 944134730 /nfs/dbraw/zinc/13/47/30/944134730.db2.gz HYPXCYLZAQGVDX-UHFFFAOYSA-N 1 1 353.466 3.673 20 30 FHEDMO Cc1nn(C)c(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1Br ZINC000418144786 944207913 /nfs/dbraw/zinc/20/79/13/944207913.db2.gz LLEFWXDRUKZMOB-HNNXBMFYSA-N 1 1 359.271 3.530 20 30 FHEDMO CSc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425528938 944239364 /nfs/dbraw/zinc/23/93/64/944239364.db2.gz AAPMZVNBMBDCDL-YJBOKZPZSA-N 1 1 356.491 3.713 20 30 FHEDMO COCCCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425530389 944251678 /nfs/dbraw/zinc/25/16/78/944251678.db2.gz FEOQUBMYEKGNHV-KRWDZBQOSA-N 1 1 367.493 3.889 20 30 FHEDMO COCCCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425530389 944251683 /nfs/dbraw/zinc/25/16/83/944251683.db2.gz FEOQUBMYEKGNHV-KRWDZBQOSA-N 1 1 367.493 3.889 20 30 FHEDMO 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945372151 /nfs/dbraw/zinc/37/21/51/945372151.db2.gz NCAPHNMJQVZSDV-HNAYVOBHSA-N 1 1 367.497 3.581 20 30 FHEDMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1)c1ccc2c(c1)CCCC2 ZINC000330136138 945372165 /nfs/dbraw/zinc/37/21/65/945372165.db2.gz NCAPHNMJQVZSDV-HNAYVOBHSA-N 1 1 367.497 3.581 20 30 FHEDMO CC1(C)C[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330165797 945383247 /nfs/dbraw/zinc/38/32/47/945383247.db2.gz XHOTZXSGTMABKG-KNQAVFIVSA-N 1 1 372.509 3.681 20 30 FHEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000330199860 945399357 /nfs/dbraw/zinc/39/93/57/945399357.db2.gz VZDAIKSTTLJSNM-CVEARBPZSA-N 1 1 354.445 3.786 20 30 FHEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CCCCC(F)(F)C1 ZINC000330199860 945399369 /nfs/dbraw/zinc/39/93/69/945399369.db2.gz VZDAIKSTTLJSNM-CVEARBPZSA-N 1 1 354.445 3.786 20 30 FHEDMO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1C ZINC000330226189 945411720 /nfs/dbraw/zinc/41/17/20/945411720.db2.gz 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947353038 /nfs/dbraw/zinc/35/30/38/947353038.db2.gz NSYPGLASTQOCDB-SWLSCSKDSA-N 1 1 366.893 3.649 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000599512740 947365318 /nfs/dbraw/zinc/36/53/18/947365318.db2.gz MCPQIBJBJDNJTK-CALCHBBNSA-N 1 1 363.452 3.773 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000599512740 947365327 /nfs/dbraw/zinc/36/53/27/947365327.db2.gz MCPQIBJBJDNJTK-CALCHBBNSA-N 1 1 363.452 3.773 20 30 FHEDMO CCn1cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c(C(F)(F)F)n1 ZINC000331229810 947365748 /nfs/dbraw/zinc/36/57/48/947365748.db2.gz PNYUNPCUXQKRDY-LBPRGKRZSA-N 1 1 360.424 3.737 20 30 FHEDMO COCCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872465 947437346 /nfs/dbraw/zinc/43/73/46/947437346.db2.gz KZRCUZSQBYBLFR-VXKWHMMOSA-N 1 1 350.462 3.984 20 30 FHEDMO COCCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872465 947437352 /nfs/dbraw/zinc/43/73/52/947437352.db2.gz KZRCUZSQBYBLFR-VXKWHMMOSA-N 1 1 350.462 3.984 20 30 FHEDMO Cc1ncc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000567966374 947542651 /nfs/dbraw/zinc/54/26/51/947542651.db2.gz YCFRLSFPRVKDBI-UHFFFAOYSA-N 1 1 360.461 3.701 20 30 FHEDMO CC(C)c1csc([C@@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)n1 ZINC000127766922 947608933 /nfs/dbraw/zinc/60/89/33/947608933.db2.gz JFFGZRHYMDRDIS-BEFAXECRSA-N 1 1 362.543 3.500 20 30 FHEDMO CC(C)c1csc([C@@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)n1 ZINC000127766922 947608942 /nfs/dbraw/zinc/60/89/42/947608942.db2.gz JFFGZRHYMDRDIS-BEFAXECRSA-N 1 1 362.543 3.500 20 30 FHEDMO CC[C@@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccc(C#N)cc1 ZINC000278860845 947640231 /nfs/dbraw/zinc/64/02/31/947640231.db2.gz WGODVVNMSJFKKF-RTWAWAEBSA-N 1 1 362.477 3.571 20 30 FHEDMO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)CSc2ccccc2)c(C#N)c1C ZINC000593045415 947641913 /nfs/dbraw/zinc/64/19/13/947641913.db2.gz ISZKMRCOWNZXGH-ZDUSSCGKSA-N 1 1 357.479 3.819 20 30 FHEDMO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)CSc2ccccc2)c(C#N)c1C ZINC000593045415 947641921 /nfs/dbraw/zinc/64/19/21/947641921.db2.gz ISZKMRCOWNZXGH-ZDUSSCGKSA-N 1 1 357.479 3.819 20 30 FHEDMO N#CC1(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CCC1 ZINC000129539473 947949460 /nfs/dbraw/zinc/94/94/60/947949460.db2.gz UXJFWYDVPJOYON-GOSISDBHSA-N 1 1 365.502 3.658 20 30 FHEDMO N#CC1(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CCC1 ZINC000129539473 947949465 /nfs/dbraw/zinc/94/94/65/947949465.db2.gz UXJFWYDVPJOYON-GOSISDBHSA-N 1 1 365.502 3.658 20 30 FHEDMO C[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@@]1=O ZINC000278898073 948035014 /nfs/dbraw/zinc/03/50/14/948035014.db2.gz VCCDJWPYMOLTPN-SIBVEZHUSA-N 1 1 366.530 3.729 20 30 FHEDMO C[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@@]1=O ZINC000278898073 948035021 /nfs/dbraw/zinc/03/50/21/948035021.db2.gz VCCDJWPYMOLTPN-SIBVEZHUSA-N 1 1 366.530 3.729 20 30 FHEDMO C[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@]1=O ZINC000278898078 948035197 /nfs/dbraw/zinc/03/51/97/948035197.db2.gz VCCDJWPYMOLTPN-NIYFSFCBSA-N 1 1 366.530 3.729 20 30 FHEDMO C[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@]1=O ZINC000278898078 948035200 /nfs/dbraw/zinc/03/52/00/948035200.db2.gz VCCDJWPYMOLTPN-NIYFSFCBSA-N 1 1 366.530 3.729 20 30 FHEDMO COC(=O)c1ccc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000507769067 948138615 /nfs/dbraw/zinc/13/86/15/948138615.db2.gz IGKTXVRJJNTVIM-CQSZACIVSA-N 1 1 354.406 3.542 20 30 FHEDMO C=CCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H](C)COC ZINC000663583788 948253461 /nfs/dbraw/zinc/25/34/61/948253461.db2.gz ZRBTTXKPOPZCHE-MOPGFXCFSA-N 1 1 373.541 3.651 20 30 FHEDMO COc1ccc(CNC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OCCCC#N ZINC000064614014 948284029 /nfs/dbraw/zinc/28/40/29/948284029.db2.gz NZQMDPFDACXHTP-ZWKOTPCHSA-N 1 1 359.514 3.588 20 30 FHEDMO COc1ccc(CNC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1OCCCC#N ZINC000064614014 948284036 /nfs/dbraw/zinc/28/40/36/948284036.db2.gz NZQMDPFDACXHTP-ZWKOTPCHSA-N 1 1 359.514 3.588 20 30 FHEDMO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)c1 ZINC000574741808 948425745 /nfs/dbraw/zinc/42/57/45/948425745.db2.gz PJWJCCGHHMEBAE-NRFANRHFSA-N 1 1 361.445 3.703 20 30 FHEDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1Sc1ccccc1C#N ZINC000512121948 948481186 /nfs/dbraw/zinc/48/11/86/948481186.db2.gz KBBMPJDWRRCLHD-HOTGVXAUSA-N 1 1 365.502 3.874 20 30 FHEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccccc1Sc1ccccc1C#N ZINC000512121948 948481190 /nfs/dbraw/zinc/48/11/90/948481190.db2.gz KBBMPJDWRRCLHD-HOTGVXAUSA-N 1 1 365.502 3.874 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000441688738 948550261 /nfs/dbraw/zinc/55/02/61/948550261.db2.gz MHVWLYRGTLAHNE-VLCRHTCISA-N 1 1 367.489 3.617 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000441688738 948550265 /nfs/dbraw/zinc/55/02/65/948550265.db2.gz MHVWLYRGTLAHNE-VLCRHTCISA-N 1 1 367.489 3.617 20 30 FHEDMO C=C(C)C[N@H+](CCC(=O)Nc1ccccc1SC)Cc1ccc(CO)o1 ZINC000512180344 948697081 /nfs/dbraw/zinc/69/70/81/948697081.db2.gz NXMNRJCCDCMEHE-UHFFFAOYSA-N 1 1 374.506 3.901 20 30 FHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000016338913 220182926 /nfs/dbraw/zinc/18/29/26/220182926.db2.gz IMAGUNJMMHHKGD-NRFANRHFSA-N 1 1 360.498 3.559 20 30 FHEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)CCC2 ZINC000022198639 220378919 /nfs/dbraw/zinc/37/89/19/220378919.db2.gz LETFFGGCOVXBPF-NSHDSACASA-N 1 1 371.428 3.711 20 30 FHEDMO CCN1CCC[C@@H](C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632997 529049821 /nfs/dbraw/zinc/04/98/21/529049821.db2.gz LRWRZNFWYNOBAN-PIPMEXSNSA-N 1 1 365.525 3.758 20 30 FHEDMO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)N(CCC#N)c1ccccc1 ZINC000014926869 567820576 /nfs/dbraw/zinc/82/05/76/567820576.db2.gz QIJQNTDJTSHODL-UHFFFAOYSA-N 1 1 371.868 3.597 20 30 FHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)N(CCC#N)c1ccccc1 ZINC000014926869 567820577 /nfs/dbraw/zinc/82/05/77/567820577.db2.gz QIJQNTDJTSHODL-UHFFFAOYSA-N 1 1 371.868 3.597 20 30 FHEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000602525129 567987694 /nfs/dbraw/zinc/98/76/94/567987694.db2.gz RJKQJXFBMRLCSC-FPOVZHCZSA-N 1 1 355.526 3.587 20 30 FHEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000602622803 567998724 /nfs/dbraw/zinc/99/87/24/567998724.db2.gz GXPQUOPQQURPQM-KBPBESRZSA-N 1 1 358.417 3.625 20 30 FHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000605988832 568067289 /nfs/dbraw/zinc/06/72/89/568067289.db2.gz QLGGWQIPFQCPRK-IBGZPJMESA-N 1 1 359.514 3.657 20 30 FHEDMO N#Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000481621931 568068454 /nfs/dbraw/zinc/06/84/54/568068454.db2.gz GVTGYFMOQSKWLT-AWEZNQCLSA-N 1 1 372.469 3.793 20 30 FHEDMO CC(C)(CNC(=O)Nc1ccc(F)c(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000481712846 568090592 /nfs/dbraw/zinc/09/05/92/568090592.db2.gz OOHHNYUKRCYYKH-UHFFFAOYSA-N 1 1 366.440 3.656 20 30 FHEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(N2CCCNC2=O)cc1 ZINC000291321608 568109285 /nfs/dbraw/zinc/10/92/85/568109285.db2.gz USZOPPXGCJKBOG-CQSZACIVSA-N 1 1 368.868 3.982 20 30 FHEDMO CCC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603838576 568160705 /nfs/dbraw/zinc/16/07/05/568160705.db2.gz TVPVVPSYQUNNOU-OAQYLSRUSA-N 1 1 352.478 3.713 20 30 FHEDMO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000603853668 568167286 /nfs/dbraw/zinc/16/72/86/568167286.db2.gz KUVFGNMPISVYMM-SIKLNZKXSA-N 1 1 353.510 3.929 20 30 FHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000330305286 568210734 /nfs/dbraw/zinc/21/07/34/568210734.db2.gz QNLNBEFQYJVHCR-QWHCGFSZSA-N 1 1 369.391 3.648 20 30 FHEDMO CCCc1nc(C)c(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000291718250 568268526 /nfs/dbraw/zinc/26/85/26/568268526.db2.gz MESHKOVTMUFTSU-UHFFFAOYSA-N 1 1 352.482 3.561 20 30 FHEDMO CCC[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604503394 568302131 /nfs/dbraw/zinc/30/21/31/568302131.db2.gz JROSYKZTWCNUOS-IBGZPJMESA-N 1 1 356.441 3.544 20 30 FHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000609487395 568346748 /nfs/dbraw/zinc/34/67/48/568346748.db2.gz SGPNHKHLEXUBRJ-OAHLLOKOSA-N 1 1 358.404 3.707 20 30 FHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000609487395 568346749 /nfs/dbraw/zinc/34/67/49/568346749.db2.gz SGPNHKHLEXUBRJ-OAHLLOKOSA-N 1 1 358.404 3.707 20 30 FHEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000569648982 568411456 /nfs/dbraw/zinc/41/14/56/568411456.db2.gz IFNKIJVDLHKJEH-GOSISDBHSA-N 1 1 352.434 3.619 20 30 FHEDMO COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000570635663 568492777 /nfs/dbraw/zinc/49/27/77/568492777.db2.gz QXYHEGLGMCMTIR-KRWDZBQOSA-N 1 1 367.405 3.518 20 30 FHEDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000570635663 568492778 /nfs/dbraw/zinc/49/27/78/568492778.db2.gz QXYHEGLGMCMTIR-KRWDZBQOSA-N 1 1 367.405 3.518 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000570848952 568545701 /nfs/dbraw/zinc/54/57/01/568545701.db2.gz OEPHYBGNKDHYDO-SFHVURJKSA-N 1 1 369.396 3.787 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000570848952 568545702 /nfs/dbraw/zinc/54/57/02/568545702.db2.gz OEPHYBGNKDHYDO-SFHVURJKSA-N 1 1 369.396 3.787 20 30 FHEDMO N#CCc1cccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC000049634262 568549719 /nfs/dbraw/zinc/54/97/19/568549719.db2.gz ZPXGEEHOEYBBHG-UHFFFAOYSA-N 1 1 354.479 3.837 20 30 FHEDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1cccs1 ZINC000365452070 568716471 /nfs/dbraw/zinc/71/64/71/568716471.db2.gz CFIIXZFEPAKIFD-PXAZEXFGSA-N 1 1 358.442 3.573 20 30 FHEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000328605422 571323902 /nfs/dbraw/zinc/32/39/02/571323902.db2.gz NLSASOAZOBOUBS-DYESRHJHSA-N 1 1 366.440 3.587 20 30 FHEDMO Cc1cc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c[nH]c1=O ZINC000328608106 571324077 /nfs/dbraw/zinc/32/40/77/571324077.db2.gz XZAGAWWXHCMTOH-DYESRHJHSA-N 1 1 351.450 3.986 20 30 FHEDMO C=CC[N@@H+](CCOC1CCCCCC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418719 598983039 /nfs/dbraw/zinc/98/30/39/598983039.db2.gz HNXLPAGSDFDVKV-UHFFFAOYSA-N 1 1 355.486 3.594 20 30 FHEDMO C=CC[N@H+](C/C=C/c1ccccc1OC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903964 608631140 /nfs/dbraw/zinc/63/11/40/608631140.db2.gz PFSRLPGQLZJAAS-YRNVUSSQSA-N 1 1 361.449 3.577 20 30 FHEDMO N#Cc1ccc2ncnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164625065 719063859 /nfs/dbraw/zinc/06/38/59/719063859.db2.gz MPUQMJSJHQKYKQ-KNQAVFIVSA-N 1 1 369.472 3.602 20 30 FHEDMO N#Cc1ccc2ncnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164625074 719064583 /nfs/dbraw/zinc/06/45/83/719064583.db2.gz MPUQMJSJHQKYKQ-UGKGYDQZSA-N 1 1 369.472 3.602 20 30 FHEDMO N#Cc1cc2c(nc1N1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC001164630164 719097875 /nfs/dbraw/zinc/09/78/75/719097875.db2.gz VSOUFTUUTPWOSC-SIKLNZKXSA-N 1 1 358.489 3.543 20 30 FHEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2cc(F)c(F)cc2c(Cl)c1C#N ZINC001164636340 719258949 /nfs/dbraw/zinc/25/89/49/719258949.db2.gz SDWIHSOHEQSVAC-UWVGGRQHSA-N 1 1 350.800 3.567 20 30 FHEDMO N#Cc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)cc1Cl ZINC001164731836 720469692 /nfs/dbraw/zinc/46/96/92/720469692.db2.gz XXLNWEIJRLXYMD-DLBZAZTESA-N 1 1 374.275 3.508 20 30 FHEDMO N#Cc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)cc1Cl ZINC001164731836 720469698 /nfs/dbraw/zinc/46/96/98/720469698.db2.gz XXLNWEIJRLXYMD-DLBZAZTESA-N 1 1 374.275 3.508 20 30 FHEDMO N#Cc1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164994514 722192892 /nfs/dbraw/zinc/19/28/92/722192892.db2.gz NLNCKRMDLRMPGB-HXUWFJFHSA-N 1 1 370.859 3.991 20 30 FHEDMO N#Cc1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164994514 722192893 /nfs/dbraw/zinc/19/28/93/722192893.db2.gz NLNCKRMDLRMPGB-HXUWFJFHSA-N 1 1 370.859 3.991 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000178770501 937099569 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FHEDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)[C@@H](C)CO1 ZINC000247702752 934644597 /nfs/dbraw/zinc/64/45/97/934644597.db2.gz YFPCCWUVVVBNPY-YJBOKZPZSA-N 1 1 369.490 3.719 20 30 FHEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H](C)CO1 ZINC000247702752 934644598 /nfs/dbraw/zinc/64/45/98/934644598.db2.gz YFPCCWUVVVBNPY-YJBOKZPZSA-N 1 1 369.490 3.719 20 30 FHEDMO C[N@@H+](Cc1ccnc(C#N)c1)CC1(c2ccc(Br)cc2)CC1 ZINC000610993291 934737880 /nfs/dbraw/zinc/73/78/80/934737880.db2.gz LLIMKYSQZLTLHX-UHFFFAOYSA-N 1 1 356.267 3.879 20 30 FHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccnc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000610993131 934738120 /nfs/dbraw/zinc/73/81/20/934738120.db2.gz FFFOKMCKUZLMDZ-WPCMGHOJSA-N 1 1 368.525 3.637 20 30 FHEDMO N#Cc1cc(CN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)ccn1 ZINC000610994885 934738726 /nfs/dbraw/zinc/73/87/26/934738726.db2.gz ZCJSHIKTHDEQFT-UHFFFAOYSA-N 1 1 360.505 3.974 20 30 FHEDMO C=CCn1c(SCCCc2c[nH+]cn2C)nnc1-c1ccc(F)cc1 ZINC000657233608 934793705 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CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000519062627 945074068 /nfs/dbraw/zinc/07/40/68/945074068.db2.gz JLTLRFHNYREXCX-GOSISDBHSA-N 1 1 370.541 3.989 20 30 FHEDMO C=CCCn1cc(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nn1 ZINC000657310721 935091968 /nfs/dbraw/zinc/09/19/68/935091968.db2.gz RRWRBEQMKAQFPU-GOSISDBHSA-N 1 1 353.514 3.518 20 30 FHEDMO C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001125578514 935103301 /nfs/dbraw/zinc/10/33/01/935103301.db2.gz OUQZQTUYVBROLU-IBGZPJMESA-N 1 1 358.844 3.744 20 30 FHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cccc(Br)c1 ZINC000320793213 935123918 /nfs/dbraw/zinc/12/39/18/935123918.db2.gz JHVKYWHGZCWFMS-UHFFFAOYSA-N 1 1 372.266 3.781 20 30 FHEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c1C#N ZINC000539379637 935198396 /nfs/dbraw/zinc/19/83/96/935198396.db2.gz VVVGKHGBAFFYQI-INIZCTEOSA-N 1 1 363.461 3.796 20 30 FHEDMO C#CC[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000366752605 945088503 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367.415 3.647 20 30 FHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 ZINC000551679024 935326909 /nfs/dbraw/zinc/32/69/09/935326909.db2.gz IMWHTHWATCUNGB-FQEVSTJZSA-N 1 1 365.452 3.728 20 30 FHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCSC1 ZINC000119922732 935337444 /nfs/dbraw/zinc/33/74/44/935337444.db2.gz KJFRVPVATKJODN-CYBMUJFWSA-N 1 1 363.552 3.655 20 30 FHEDMO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507270000 945095409 /nfs/dbraw/zinc/09/54/09/945095409.db2.gz MESQMZMIPSXLLC-FQEVSTJZSA-N 1 1 370.537 3.634 20 30 FHEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)C2)C1 ZINC000458854169 945102163 /nfs/dbraw/zinc/10/21/63/945102163.db2.gz XBOHXRPWTYMVEU-FPOVZHCZSA-N 1 1 354.498 3.549 20 30 FHEDMO N#Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000120052036 935510142 /nfs/dbraw/zinc/51/01/42/935510142.db2.gz SNAANRBATTWOQU-MRXNPFEDSA-N 1 1 354.479 3.653 20 30 FHEDMO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000069086918 935577984 /nfs/dbraw/zinc/57/79/84/935577984.db2.gz IAFXDPBFAPGDTN-GOSISDBHSA-N 1 1 355.482 3.517 20 30 FHEDMO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000069086918 935577989 /nfs/dbraw/zinc/57/79/89/935577989.db2.gz IAFXDPBFAPGDTN-GOSISDBHSA-N 1 1 355.482 3.517 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000178567285 935584396 /nfs/dbraw/zinc/58/43/96/935584396.db2.gz JZJAYXPILILPMI-FUHWJXTLSA-N 1 1 354.498 3.985 20 30 FHEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511111899 935621471 /nfs/dbraw/zinc/62/14/71/935621471.db2.gz WOTXREGEWVCCBB-HOCLYGCPSA-N 1 1 367.415 3.645 20 30 FHEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1C#N ZINC000478649113 935675988 /nfs/dbraw/zinc/67/59/88/935675988.db2.gz MURIYPDSVBLNKM-UONOGXRCSA-N 1 1 372.538 3.545 20 30 FHEDMO N#CC(CC[NH+]1CCN(CC(F)F)CC1)(c1ccccc1)c1ccccc1 ZINC000277588939 935678184 /nfs/dbraw/zinc/67/81/84/935678184.db2.gz 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CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1(C)C ZINC000472238590 935904904 /nfs/dbraw/zinc/90/49/04/935904904.db2.gz JURSJEJLQNXVSR-NHCUHLMSSA-N 1 1 367.493 3.873 20 30 FHEDMO Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NCC2(C#N)CC2)c1 ZINC000560483609 935965461 /nfs/dbraw/zinc/96/54/61/935965461.db2.gz KXWYVHGQPPEAIQ-YADHBBJMSA-N 1 1 373.500 3.631 20 30 FHEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075617801 936013519 /nfs/dbraw/zinc/01/35/19/936013519.db2.gz YGHUHWNTFIGCII-IBGZPJMESA-N 1 1 360.417 3.954 20 30 FHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075617801 936013524 /nfs/dbraw/zinc/01/35/24/936013524.db2.gz YGHUHWNTFIGCII-IBGZPJMESA-N 1 1 360.417 3.954 20 30 FHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000075964538 936018164 /nfs/dbraw/zinc/01/81/64/936018164.db2.gz QBPGTQOWEPFYEZ-ROUUACIJSA-N 1 1 371.550 3.832 20 30 FHEDMO N#Cc1cc2c(nc1NC(=O)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCCC2 ZINC000121865850 936024850 /nfs/dbraw/zinc/02/48/50/936024850.db2.gz PUZUNFDVNOFYHF-IBGZPJMESA-N 1 1 374.488 3.683 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CC2CCC2)c1C#N ZINC000472252121 936044111 /nfs/dbraw/zinc/04/41/11/936044111.db2.gz QJRRILNLMAVUGL-UHFFFAOYSA-N 1 1 368.481 3.678 20 30 FHEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000329110459 936142812 /nfs/dbraw/zinc/14/28/12/936142812.db2.gz JKSSRQTYRZXWCE-CRAIPNDOSA-N 1 1 363.477 3.663 20 30 FHEDMO C=CCOc1c(Cl)cc(CN(C)[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000628163460 936156496 /nfs/dbraw/zinc/15/64/96/936156496.db2.gz CXEHFLFGKBOYNW-INIZCTEOSA-N 1 1 350.890 3.582 20 30 FHEDMO CC1CCC(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000516689367 945147347 /nfs/dbraw/zinc/14/73/47/945147347.db2.gz IFJZIIAEVPWXET-UHFFFAOYSA-N 1 1 368.525 3.602 20 30 FHEDMO C=CCOCCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000657658056 936177786 /nfs/dbraw/zinc/17/77/86/936177786.db2.gz KTDMGSXAJKXXMG-UHFFFAOYSA-N 1 1 363.458 3.649 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000078565575 936204404 /nfs/dbraw/zinc/20/44/04/936204404.db2.gz VDHGQSVLJMLPHM-YWZLYKJASA-N 1 1 366.440 3.729 20 30 FHEDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000583432240 938252366 /nfs/dbraw/zinc/25/23/66/938252366.db2.gz KHMHLJPIASSQQT-IBGZPJMESA-N 1 1 361.489 3.963 20 30 FHEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@](C)(C#N)C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000583455244 938260499 /nfs/dbraw/zinc/26/04/99/938260499.db2.gz UBSSCIXWGNSMEY-IIDMSEBBSA-N 1 1 373.463 3.874 20 30 FHEDMO C=CCSc1ccccc1NC(=O)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245496557 938300696 /nfs/dbraw/zinc/30/06/96/938300696.db2.gz RQHYYEINNIEMNX-MSOLQXFVSA-N 1 1 373.566 3.850 20 30 FHEDMO Oc1cccc(C[N@H+](CC#Cc2ccc(F)cc2)[C@H]2CC[C@H](O)CC2)c1 ZINC000583572860 938307663 /nfs/dbraw/zinc/30/76/63/938307663.db2.gz DNEKTRNADPFAHI-MEMLXQNLSA-N 1 1 353.437 3.689 20 30 FHEDMO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000583593738 938311388 /nfs/dbraw/zinc/31/13/88/938311388.db2.gz OUUGMVDGOKPOQM-ZUZCIYMTSA-N 1 1 366.284 3.643 20 30 FHEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000245737320 938311607 /nfs/dbraw/zinc/31/16/07/938311607.db2.gz QZOFXWGUXLYBTF-WBVHZDCISA-N 1 1 360.527 3.742 20 30 FHEDMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000052580359 938407635 /nfs/dbraw/zinc/40/76/35/938407635.db2.gz RGOQECXNXJQXRF-HNNXBMFYSA-N 1 1 355.869 3.863 20 30 FHEDMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000052580359 938407637 /nfs/dbraw/zinc/40/76/37/938407637.db2.gz RGOQECXNXJQXRF-HNNXBMFYSA-N 1 1 355.869 3.863 20 30 FHEDMO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1nc(C(F)(F)F)cs1 ZINC000278463299 938453428 /nfs/dbraw/zinc/45/34/28/938453428.db2.gz MUJYXFBDGAEVID-ZCFIWIBFSA-N 1 1 354.291 3.730 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158186377 938473695 /nfs/dbraw/zinc/47/36/95/938473695.db2.gz 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C[C@@](C#N)(NC(=O)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000584158380 938624922 /nfs/dbraw/zinc/62/49/22/938624922.db2.gz RBPMBHBICNCOIQ-RTWAWAEBSA-N 1 1 351.494 3.802 20 30 FHEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000584158380 938624924 /nfs/dbraw/zinc/62/49/24/938624924.db2.gz RBPMBHBICNCOIQ-RTWAWAEBSA-N 1 1 351.494 3.802 20 30 FHEDMO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c(C#N)c1C ZINC000472318435 938688967 /nfs/dbraw/zinc/68/89/67/938688967.db2.gz SLTQOFHAMPSPCC-QAPCUYQASA-N 1 1 351.450 3.660 20 30 FHEDMO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c(C#N)c1C ZINC000472318435 938688969 /nfs/dbraw/zinc/68/89/69/938688969.db2.gz SLTQOFHAMPSPCC-QAPCUYQASA-N 1 1 351.450 3.660 20 30 FHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2C1 ZINC000162161444 938692008 /nfs/dbraw/zinc/69/20/08/938692008.db2.gz SDDJXOIJWSSXRS-INIZCTEOSA-N 1 1 363.461 3.936 20 30 FHEDMO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCC(C(F)(F)F)CC1)C2 ZINC000329777656 938713823 /nfs/dbraw/zinc/71/38/23/938713823.db2.gz PHYAQUDNDFMTQD-CYBMUJFWSA-N 1 1 372.435 3.684 20 30 FHEDMO Cc1ccc(N2CCC[C@H](C(=O)N[C@H](CCC#N)c3ccccc3)C2)[nH+]c1 ZINC000375748221 938860370 /nfs/dbraw/zinc/86/03/70/938860370.db2.gz GQKFIWJPGDPDNF-VQTJNVASSA-N 1 1 362.477 3.768 20 30 FHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000158845355 938891808 /nfs/dbraw/zinc/89/18/08/938891808.db2.gz AZWJVCHDNMDIGL-LJQANCHMSA-N 1 1 363.461 3.691 20 30 FHEDMO N#CCc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000562913822 938937911 /nfs/dbraw/zinc/93/79/11/938937911.db2.gz FZEZUPCWBPZWHS-HNAYVOBHSA-N 1 1 372.900 3.887 20 30 FHEDMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000562894307 938955955 /nfs/dbraw/zinc/95/59/55/938955955.db2.gz NHVMHSKLMMNFLO-INIZCTEOSA-N 1 1 362.433 3.818 20 30 FHEDMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000562894307 938955957 /nfs/dbraw/zinc/95/59/57/938955957.db2.gz NHVMHSKLMMNFLO-INIZCTEOSA-N 1 1 362.433 3.818 20 30 FHEDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OCC(F)(F)F ZINC000329835997 938965336 /nfs/dbraw/zinc/96/53/36/938965336.db2.gz LOZDQZIBNORFHL-HUUCEWRRSA-N 1 1 371.403 3.889 20 30 FHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](COC)Cc1ccccc1 ZINC000472327141 938971837 /nfs/dbraw/zinc/97/18/37/938971837.db2.gz LRHRRNDSFMGLCR-GOSISDBHSA-N 1 1 371.506 3.528 20 30 FHEDMO Cc1c(Cl)cnc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C#N ZINC000544066743 938980197 /nfs/dbraw/zinc/98/01/97/938980197.db2.gz HDLYBBMUPNHZFM-SUMWQHHRSA-N 1 1 360.914 3.894 20 30 FHEDMO Oc1c(Cl)cc(Cl)cc1/C=N\C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000255603847 938990379 /nfs/dbraw/zinc/99/03/79/938990379.db2.gz KGSXXEODIIIRNL-ITVWLQPKSA-N 1 1 371.308 3.886 20 30 FHEDMO C[C@H]1C[C@H](N(C)C(=O)c2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000188172249 939021472 /nfs/dbraw/zinc/02/14/72/939021472.db2.gz SQNLKNIJLKDMKF-FUHWJXTLSA-N 1 1 365.452 3.822 20 30 FHEDMO CCCc1c(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000440078897 945224026 /nfs/dbraw/zinc/22/40/26/945224026.db2.gz XTFJFQCVNXCCBJ-IYBDPMFKSA-N 1 1 365.481 3.508 20 30 FHEDMO N#Cc1ccsc1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612131211 939118282 /nfs/dbraw/zinc/11/82/82/939118282.db2.gz SQPVHQNYWLQFNN-GBESFXJTSA-N 1 1 365.502 3.650 20 30 FHEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000612133327 939126025 /nfs/dbraw/zinc/12/60/25/939126025.db2.gz WVUSGVWEEFZOLE-BHIYHBOVSA-N 1 1 365.502 3.650 20 30 FHEDMO N#Cc1csc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612133321 939126145 /nfs/dbraw/zinc/12/61/45/939126145.db2.gz WBVHRJUDWDFMJN-CEXWTWQISA-N 1 1 365.502 3.650 20 30 FHEDMO C[C@]1(C#N)CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000612164510 939167608 /nfs/dbraw/zinc/16/76/08/939167608.db2.gz AYPXWELVNVTTST-NHCUHLMSSA-N 1 1 367.518 3.969 20 30 FHEDMO C[C@]1(C#N)CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000612164510 939167610 /nfs/dbraw/zinc/16/76/10/939167610.db2.gz AYPXWELVNVTTST-NHCUHLMSSA-N 1 1 367.518 3.969 20 30 FHEDMO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000179457878 939168835 /nfs/dbraw/zinc/16/88/35/939168835.db2.gz QSYQHGPPVPEUJC-ZOGRKAJWSA-N 1 1 365.864 3.786 20 30 FHEDMO C[N@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000179457878 939168837 /nfs/dbraw/zinc/16/88/37/939168837.db2.gz QSYQHGPPVPEUJC-ZOGRKAJWSA-N 1 1 365.864 3.786 20 30 FHEDMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000091962267 939885864 /nfs/dbraw/zinc/88/58/64/939885864.db2.gz SBCKUWAMLYMKEL-KKSFZXQISA-N 1 1 352.482 3.587 20 30 FHEDMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000091962267 939885871 /nfs/dbraw/zinc/88/58/71/939885871.db2.gz SBCKUWAMLYMKEL-KKSFZXQISA-N 1 1 352.482 3.587 20 30 FHEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)o1 ZINC000091962267 939885878 /nfs/dbraw/zinc/88/58/78/939885878.db2.gz SBCKUWAMLYMKEL-KKSFZXQISA-N 1 1 352.482 3.587 20 30 FHEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)o1 ZINC000091962267 939885883 /nfs/dbraw/zinc/88/58/83/939885883.db2.gz SBCKUWAMLYMKEL-KKSFZXQISA-N 1 1 352.482 3.587 20 30 FHEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2C)cc1OCCCC#N ZINC000091967776 939885944 /nfs/dbraw/zinc/88/59/44/939885944.db2.gz ZOYIOIHDYVCPIQ-IBGZPJMESA-N 1 1 368.481 3.757 20 30 FHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000507505479 945285810 /nfs/dbraw/zinc/28/58/10/945285810.db2.gz BJZBFGLRYCKLFB-PBHICJAKSA-N 1 1 353.853 3.777 20 30 FHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCc2cccnc21 ZINC000364998557 940041595 /nfs/dbraw/zinc/04/15/95/940041595.db2.gz MMXYJHNYMWSLQT-MRXNPFEDSA-N 1 1 354.479 3.743 20 30 FHEDMO Cc1noc(C)c1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000612461444 940076990 /nfs/dbraw/zinc/07/69/90/940076990.db2.gz BNTXMZKGAHZYBB-HNNXBMFYSA-N 1 1 354.454 3.506 20 30 FHEDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1O ZINC000612470248 940089150 /nfs/dbraw/zinc/08/91/50/940089150.db2.gz GHYLLUUFZGYPCT-ZBFHGGJFSA-N 1 1 351.288 3.550 20 30 FHEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1O ZINC000612470248 940089153 /nfs/dbraw/zinc/08/91/53/940089153.db2.gz GHYLLUUFZGYPCT-ZBFHGGJFSA-N 1 1 351.288 3.550 20 30 FHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CC(C)C)c1C#N ZINC000065962022 940122268 /nfs/dbraw/zinc/12/22/68/940122268.db2.gz TWGAXPYLXQFEDJ-UHFFFAOYSA-N 1 1 352.482 3.551 20 30 FHEDMO N#Cc1c(F)ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1Cl ZINC000365437905 940157172 /nfs/dbraw/zinc/15/71/72/940157172.db2.gz OZSUXCPCIJPNAJ-HNNXBMFYSA-N 1 1 352.837 3.511 20 30 FHEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000440174791 945300589 /nfs/dbraw/zinc/30/05/89/945300589.db2.gz KLXBTZGDHSMISF-NRFANRHFSA-N 1 1 370.541 3.989 20 30 FHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3CC(=O)c3ccc(F)cc3)n2c1 ZINC000092064378 940265617 /nfs/dbraw/zinc/26/56/17/940265617.db2.gz PQLNMNVDIVWVIG-GOSISDBHSA-N 1 1 362.408 3.582 20 30 FHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3CC(=O)c3ccc(F)cc3)n2c1 ZINC000092064378 940265620 /nfs/dbraw/zinc/26/56/20/940265620.db2.gz PQLNMNVDIVWVIG-GOSISDBHSA-N 1 1 362.408 3.582 20 30 FHEDMO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1C ZINC000180028100 940270332 /nfs/dbraw/zinc/27/03/32/940270332.db2.gz MIYZRRWQFONERW-UHFFFAOYSA-N 1 1 360.461 3.908 20 30 FHEDMO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1c(F)cncc1F ZINC000376108047 940320308 /nfs/dbraw/zinc/32/03/08/940320308.db2.gz ZYLRBQIWJSOJEE-CQSZACIVSA-N 1 1 356.420 3.547 20 30 FHEDMO C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC12CCCCC2 ZINC000613188787 940480750 /nfs/dbraw/zinc/48/07/50/940480750.db2.gz DSVUFKGWYVRAIM-ICSRJNTNSA-N 1 1 356.510 3.785 20 30 FHEDMO COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000613303444 940509563 /nfs/dbraw/zinc/50/95/63/940509563.db2.gz QMQHQMWOLQHUKB-WMZOPIPTSA-N 1 1 370.497 3.685 20 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ZINC000430117193 942929810 /nfs/dbraw/zinc/92/98/10/942929810.db2.gz IJMDVIMIQTWKKE-UHFFFAOYSA-N 1 1 354.479 3.948 20 30 FHEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc(-c3ccccc3C#N)cc1)CC2 ZINC000566336384 942933540 /nfs/dbraw/zinc/93/35/40/942933540.db2.gz BRWBCPAHJXTRIA-HXUWFJFHSA-N 1 1 370.456 3.609 20 30 FHEDMO COc1ccc(C[N@H+]2CC[C@@H](O)c3ccccc3C2)cc1OCCCC#N ZINC000363885964 942966399 /nfs/dbraw/zinc/96/63/99/942966399.db2.gz HCWSNDFYLPQOBK-HXUWFJFHSA-N 1 1 366.461 3.817 20 30 FHEDMO CC[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(F)cc1F ZINC000434882062 943027706 /nfs/dbraw/zinc/02/77/06/943027706.db2.gz ZFRCUKXKDCFLGU-HZPDHXFCSA-N 1 1 361.417 3.744 20 30 FHEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000434903061 943039068 /nfs/dbraw/zinc/03/90/68/943039068.db2.gz HIXDEKOFBYIICH-UHFFFAOYSA-N 1 1 365.864 3.617 20 30 FHEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000434903061 943039076 /nfs/dbraw/zinc/03/90/76/943039076.db2.gz HIXDEKOFBYIICH-UHFFFAOYSA-N 1 1 365.864 3.617 20 30 FHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363913413 943043199 /nfs/dbraw/zinc/04/31/99/943043199.db2.gz HOLPMHHKWPYZSG-UONOGXRCSA-N 1 1 353.919 3.726 20 30 FHEDMO N#Cc1cccc([N+](=O)[O-])c1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000425256196 943069014 /nfs/dbraw/zinc/06/90/14/943069014.db2.gz RCGBWYLNMQMNSG-OAQYLSRUSA-N 1 1 362.433 3.569 20 30 FHEDMO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC[C@H]1c1ccccc1 ZINC000435027263 943111492 /nfs/dbraw/zinc/11/14/92/943111492.db2.gz LTSQAKJZIXRKAV-ATZDWAIDSA-N 1 1 365.502 3.851 20 30 FHEDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC[C@H]1c1ccccc1 ZINC000435027263 943111498 /nfs/dbraw/zinc/11/14/98/943111498.db2.gz LTSQAKJZIXRKAV-ATZDWAIDSA-N 1 1 365.502 3.851 20 30 FHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000435063973 943137163 /nfs/dbraw/zinc/13/71/63/943137163.db2.gz DGCTZNYJKHQYRC-DCPHZVHLSA-N 1 1 352.409 3.789 20 30 FHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000435063973 943137167 /nfs/dbraw/zinc/13/71/67/943137167.db2.gz DGCTZNYJKHQYRC-DCPHZVHLSA-N 1 1 352.409 3.789 20 30 FHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272419498 943153160 /nfs/dbraw/zinc/15/31/60/943153160.db2.gz LTVPFBZHQNRKBG-BFYDXBDKSA-N 1 1 358.511 3.639 20 30 FHEDMO N#Cc1cnc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000425280618 943175389 /nfs/dbraw/zinc/17/53/89/943175389.db2.gz KQTHBFQLYCWEFK-INIZCTEOSA-N 1 1 354.435 3.618 20 30 FHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272639790 943191418 /nfs/dbraw/zinc/19/14/18/943191418.db2.gz CCAVTOLTKKLHMS-GJZGRUSLSA-N 1 1 358.511 3.853 20 30 FHEDMO CC(C)(CNC(=O)c1cc(C#N)ccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000505615539 943192649 /nfs/dbraw/zinc/19/26/49/943192649.db2.gz WPXLYKJQGANHQY-UHFFFAOYSA-N 1 1 367.880 3.778 20 30 FHEDMO CN(C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000435152277 943193435 /nfs/dbraw/zinc/19/34/35/943193435.db2.gz SMCQGYNIRZTERA-IBGZPJMESA-N 1 1 366.440 3.826 20 30 FHEDMO Cn1nccc1[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000514708943 943238038 /nfs/dbraw/zinc/23/80/38/943238038.db2.gz FPSOXTFQKMQGSN-INIZCTEOSA-N 1 1 363.383 3.550 20 30 FHEDMO C=CCOc1ccccc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422914008 943329074 /nfs/dbraw/zinc/32/90/74/943329074.db2.gz ZPUNNTBXXCIJME-SIKLNZKXSA-N 1 1 350.462 3.597 20 30 FHEDMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425366049 943376079 /nfs/dbraw/zinc/37/60/79/943376079.db2.gz OHHFDLNGKZAGCA-CVEARBPZSA-N 1 1 352.434 3.692 20 30 FHEDMO CC(C)[N@H+]1CCc2nc(CN(C)[C@@H](C)c3cccc(C#N)c3)sc2C1 ZINC000425368686 943380353 /nfs/dbraw/zinc/38/03/53/943380353.db2.gz XNACQHGAOZTJDA-HNNXBMFYSA-N 1 1 354.523 3.974 20 30 FHEDMO CC1CN(Cc2ccc(C#N)s2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000566429032 943382039 /nfs/dbraw/zinc/38/20/39/943382039.db2.gz OJRNDPZAMXZGFK-UHFFFAOYSA-N 1 1 356.520 3.507 20 30 FHEDMO CC1CN(Cc2ccc(C#N)s2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000566429032 943382047 /nfs/dbraw/zinc/38/20/47/943382047.db2.gz OJRNDPZAMXZGFK-UHFFFAOYSA-N 1 1 356.520 3.507 20 30 FHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000566436336 943409589 /nfs/dbraw/zinc/40/95/89/943409589.db2.gz GCNLJVJYHLKPDB-OAHLLOKOSA-N 1 1 367.424 3.557 20 30 FHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000514965501 943412052 /nfs/dbraw/zinc/41/20/52/943412052.db2.gz JNKRTGMWIHPREW-FQEVSTJZSA-N 1 1 358.844 3.778 20 30 FHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000514965501 943412055 /nfs/dbraw/zinc/41/20/55/943412055.db2.gz JNKRTGMWIHPREW-FQEVSTJZSA-N 1 1 358.844 3.778 20 30 FHEDMO C[C@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(C#N)cc1F ZINC000503907839 943414495 /nfs/dbraw/zinc/41/44/95/943414495.db2.gz DYWQLEPQIDUGEJ-HRAATJIYSA-N 1 1 361.420 3.951 20 30 FHEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC000566436786 943414571 /nfs/dbraw/zinc/41/45/71/943414571.db2.gz GCZVFFGMQVCDRM-HNNXBMFYSA-N 1 1 365.433 3.639 20 30 FHEDMO C=CC[C@H](C)C(=O)N1CCC[C@]2(CCC[N@@H+](Cc3scnc3C)C2)C1 ZINC001269961525 943414943 /nfs/dbraw/zinc/41/49/43/943414943.db2.gz ZHYRRXBLXKZVBU-JXFKEZNVSA-N 1 1 361.555 3.868 20 30 FHEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000566438290 943418170 /nfs/dbraw/zinc/41/81/70/943418170.db2.gz ZBXLZEWBXQZZDF-MRXNPFEDSA-N 1 1 363.461 3.726 20 30 FHEDMO C=CC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCc1c[nH]c2ccccc12 ZINC001269959659 943419775 /nfs/dbraw/zinc/41/97/75/943419775.db2.gz IDBYBLPBJGUSJS-CZAAIQMYSA-N 1 1 351.494 3.598 20 30 FHEDMO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1C#N ZINC000435547254 943480456 /nfs/dbraw/zinc/48/04/56/943480456.db2.gz CSZWVZVIGFDCEI-IBGZPJMESA-N 1 1 370.497 3.731 20 30 FHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)CC2 ZINC000423381372 943496468 /nfs/dbraw/zinc/49/64/68/943496468.db2.gz ZNVFYIFHSQPZLM-HBGVWJBISA-N 1 1 353.416 3.559 20 30 FHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000515094509 943500963 /nfs/dbraw/zinc/50/09/63/943500963.db2.gz PQARIJFAWSBVEX-JOCHJYFZSA-N 1 1 355.453 3.818 20 30 FHEDMO CC(C)[C@H](CNC(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000515170183 943534802 /nfs/dbraw/zinc/53/48/02/943534802.db2.gz UIRMBDXWCGWJHG-NRFANRHFSA-N 1 1 362.477 3.763 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000515161081 943539484 /nfs/dbraw/zinc/53/94/84/943539484.db2.gz SGVAWGNOIPKJBN-MRXNPFEDSA-N 1 1 364.449 3.949 20 30 FHEDMO Cc1c(C#N)cccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000509976866 943568593 /nfs/dbraw/zinc/56/85/93/943568593.db2.gz JCUDTVJKRINORJ-APWZRJJASA-N 1 1 353.491 3.741 20 30 FHEDMO N#Cc1c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cn2ccccc12 ZINC000511628984 943619678 /nfs/dbraw/zinc/61/96/78/943619678.db2.gz ZLUARLIMQRDJMR-MQSCRBSSSA-N 1 1 357.457 3.815 20 30 FHEDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000437416554 943789120 /nfs/dbraw/zinc/78/91/20/943789120.db2.gz HVYNCFYVYSTMFX-UHFFFAOYSA-N 1 1 362.376 3.679 20 30 FHEDMO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@H+]1CCC[C@H](C)C1 ZINC000435881700 943815766 /nfs/dbraw/zinc/81/57/66/943815766.db2.gz BNNYSKWFCMFJKN-ROUUACIJSA-N 1 1 366.509 3.795 20 30 FHEDMO C=CCCCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435867170 943821423 /nfs/dbraw/zinc/82/14/23/943821423.db2.gz ZQMALXANOCKOHP-UHFFFAOYSA-N 1 1 353.510 3.832 20 30 FHEDMO C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000458850486 943929622 /nfs/dbraw/zinc/92/96/22/943929622.db2.gz UPVCGIZDEHOBPW-GHTZIAJQSA-N 1 1 368.525 3.937 20 30 FHEDMO C=CCn1c(CC2CC2)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000517058999 943941884 /nfs/dbraw/zinc/94/18/84/943941884.db2.gz NFZNFANYRDHZQF-UHFFFAOYSA-N 1 1 357.546 3.509 20 30 FHEDMO Cc1ccccc1CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000504978996 943949373 /nfs/dbraw/zinc/94/93/73/943949373.db2.gz KPRKATJUPRFWCS-UHFFFAOYSA-N 1 1 361.489 3.534 20 30 FHEDMO C=CCCO[C@H](C)C(=O)N(CCC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000505001257 943954195 /nfs/dbraw/zinc/95/41/95/943954195.db2.gz QQEBLKLEGZVGRV-CTNGQTDRSA-N 1 1 358.526 3.871 20 30 FHEDMO C=CCCc1ccccc1NC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000505046271 943982814 /nfs/dbraw/zinc/98/28/14/943982814.db2.gz RDRPGVAJYMJKKI-LJQANCHMSA-N 1 1 359.514 3.674 20 30 FHEDMO C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000505036064 943993152 /nfs/dbraw/zinc/99/31/52/943993152.db2.gz RVJRNQKKBYTBHL-CMKODMSKSA-N 1 1 371.525 3.911 20 30 FHEDMO C=CCC1(C(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)CCOCC1 ZINC000424754811 944097662 /nfs/dbraw/zinc/09/76/62/944097662.db2.gz NKMRTFQALKTWIL-UHFFFAOYSA-N 1 1 364.574 3.966 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000506147426 944160216 /nfs/dbraw/zinc/16/02/16/944160216.db2.gz HRNBZNMMZNCGBV-AWEZNQCLSA-N 1 1 370.440 3.542 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000506147426 944160222 /nfs/dbraw/zinc/16/02/22/944160222.db2.gz HRNBZNMMZNCGBV-AWEZNQCLSA-N 1 1 370.440 3.542 20 30 FHEDMO C=CC[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F ZINC000515772371 944195743 /nfs/dbraw/zinc/19/57/43/944195743.db2.gz SRVXYYPUQFIQGV-UHFFFAOYSA-N 1 1 352.409 3.500 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500172907 944210572 /nfs/dbraw/zinc/21/05/72/944210572.db2.gz RFQAJTCQJCLXSV-SFHVURJKSA-N 1 1 365.880 3.655 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000506459525 944244661 /nfs/dbraw/zinc/24/46/61/944244661.db2.gz IXGABFVQPIFZJP-UHFFFAOYSA-N 1 1 356.510 3.866 20 30 FHEDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000425533747 944260419 /nfs/dbraw/zinc/26/04/19/944260419.db2.gz LBSBHPGIZIYTLD-HNNXBMFYSA-N 1 1 366.421 3.797 20 30 FHEDMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538620 944271844 /nfs/dbraw/zinc/27/18/44/944271844.db2.gz SJBMNOMFTMERMN-JKSUJKDBSA-N 1 1 353.441 3.910 20 30 FHEDMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538620 944271849 /nfs/dbraw/zinc/27/18/49/944271849.db2.gz SJBMNOMFTMERMN-JKSUJKDBSA-N 1 1 353.441 3.910 20 30 FHEDMO CC1(C)C[C@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000425535527 944279493 /nfs/dbraw/zinc/27/94/93/944279493.db2.gz DGJNCRVIOMFRTJ-HXUWFJFHSA-N 1 1 368.502 3.805 20 30 FHEDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000425535527 944279502 /nfs/dbraw/zinc/27/95/02/944279502.db2.gz DGJNCRVIOMFRTJ-HXUWFJFHSA-N 1 1 368.502 3.805 20 30 FHEDMO CC1(C)C[N@H+](C2(CNc3ccc([N+](=O)[O-])cc3C#N)CCCCC2)CCO1 ZINC000517490132 944333778 /nfs/dbraw/zinc/33/37/78/944333778.db2.gz IKYSVXIFPMOTGJ-UHFFFAOYSA-N 1 1 372.469 3.692 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCCNc1cccc([C@@H](C#N)C(=O)OC(C)(C)C)n1 ZINC001167750870 944334648 /nfs/dbraw/zinc/33/46/48/944334648.db2.gz FDRXAKNCSJMMEJ-DLBZAZTESA-N 1 1 372.513 3.707 20 30 FHEDMO C=CCc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000506495359 944376426 /nfs/dbraw/zinc/37/64/26/944376426.db2.gz LFZSKHDUXFQUMF-NRFANRHFSA-N 1 1 366.505 3.836 20 30 FHEDMO C=CCc1cc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000506495359 944376434 /nfs/dbraw/zinc/37/64/34/944376434.db2.gz LFZSKHDUXFQUMF-NRFANRHFSA-N 1 1 366.505 3.836 20 30 FHEDMO C=CCc1cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000506495359 944376441 /nfs/dbraw/zinc/37/64/41/944376441.db2.gz LFZSKHDUXFQUMF-NRFANRHFSA-N 1 1 366.505 3.836 20 30 FHEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H](CCO)c1ccccc1 ZINC000438187657 944404873 /nfs/dbraw/zinc/40/48/73/944404873.db2.gz IGLDUFJZQWOSQP-IBGZPJMESA-N 1 1 363.379 3.992 20 30 FHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCSC1 ZINC000566650184 944472020 /nfs/dbraw/zinc/47/20/20/944472020.db2.gz RLOKAVDVBDUSJB-OAHLLOKOSA-N 1 1 358.429 3.921 20 30 FHEDMO CCOC(=O)COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000506542761 944523296 /nfs/dbraw/zinc/52/32/96/944523296.db2.gz WVWPNPGVPPJZMH-UHFFFAOYSA-N 1 1 364.445 3.665 20 30 FHEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000439320067 944525990 /nfs/dbraw/zinc/52/59/90/944525990.db2.gz OAKJYHFOYBNVAW-JRGCBEDISA-N 1 1 350.462 3.566 20 30 FHEDMO COc1ccc2oc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)cc2c1 ZINC000517726272 944540412 /nfs/dbraw/zinc/54/04/12/944540412.db2.gz FZCFMRTVRJKHRZ-UHFFFAOYSA-N 1 1 350.418 3.962 20 30 FHEDMO COc1ccc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000312746762 944597289 /nfs/dbraw/zinc/59/72/89/944597289.db2.gz VPPGQCUKWCXXOL-OAQYLSRUSA-N 1 1 363.505 3.959 20 30 FHEDMO COc1ccc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000312746762 944597296 /nfs/dbraw/zinc/59/72/96/944597296.db2.gz VPPGQCUKWCXXOL-OAQYLSRUSA-N 1 1 363.505 3.959 20 30 FHEDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)s1 ZINC000439445674 944620805 /nfs/dbraw/zinc/62/08/05/944620805.db2.gz CUUVIGOUNVFIAG-UHFFFAOYSA-N 1 1 373.909 3.976 20 30 FHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000516245336 944629376 /nfs/dbraw/zinc/62/93/76/944629376.db2.gz GZDYAPZRSVDBJN-OTWHNJEPSA-N 1 1 373.541 3.759 20 30 FHEDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N)c1ccccc1 ZINC000066854007 944632253 /nfs/dbraw/zinc/63/22/53/944632253.db2.gz HZKLIDMYCUYWOD-INIZCTEOSA-N 1 1 353.491 3.976 20 30 FHEDMO N#Cc1ccc(CN(CC[NH+]2CCOCC2)c2ccccc2)c(Cl)c1 ZINC000439454300 944638434 /nfs/dbraw/zinc/63/84/34/944638434.db2.gz RFAVBFROCVSNDH-UHFFFAOYSA-N 1 1 355.869 3.550 20 30 FHEDMO O=C(NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000426396503 944658399 /nfs/dbraw/zinc/65/83/99/944658399.db2.gz PSFWVMCDYLYQHJ-UHFFFAOYSA-N 1 1 370.855 3.725 20 30 FHEDMO C=CCOc1cccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000506248142 944667769 /nfs/dbraw/zinc/66/77/69/944667769.db2.gz VJKLWQTWIJMBLU-UHFFFAOYSA-N 1 1 361.489 3.831 20 30 FHEDMO C=CCOc1cccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000506248142 944667777 /nfs/dbraw/zinc/66/77/77/944667777.db2.gz VJKLWQTWIJMBLU-UHFFFAOYSA-N 1 1 361.489 3.831 20 30 FHEDMO C=CCOc1cccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000506248142 944667786 /nfs/dbraw/zinc/66/77/86/944667786.db2.gz VJKLWQTWIJMBLU-UHFFFAOYSA-N 1 1 361.489 3.831 20 30 FHEDMO C=CC[N@H+](Cc1cccc(F)c1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518752289 944693764 /nfs/dbraw/zinc/69/37/64/944693764.db2.gz MZIOLEGGIUBXJI-CQSZACIVSA-N 1 1 355.392 3.690 20 30 FHEDMO C=CC[N@@H+](Cc1cccc(F)c1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518752289 944693776 /nfs/dbraw/zinc/69/37/76/944693776.db2.gz MZIOLEGGIUBXJI-CQSZACIVSA-N 1 1 355.392 3.690 20 30 FHEDMO C=CC[N@H+](Cc1cccc(F)c1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518752286 944694330 /nfs/dbraw/zinc/69/43/30/944694330.db2.gz MZIOLEGGIUBXJI-AWEZNQCLSA-N 1 1 355.392 3.690 20 30 FHEDMO C=CC[N@@H+](Cc1cccc(F)c1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518752286 944694337 /nfs/dbraw/zinc/69/43/37/944694337.db2.gz MZIOLEGGIUBXJI-AWEZNQCLSA-N 1 1 355.392 3.690 20 30 FHEDMO Cc1cccc2c1C[N@@H+](Cc1cc(=O)n3c4ccccc4[nH]c3c1C#N)CC2 ZINC000759881928 944719082 /nfs/dbraw/zinc/71/90/82/944719082.db2.gz ZNBDKJQKARKZKR-SFHVURJKSA-N 1 1 368.440 3.590 20 30 FHEDMO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl ZINC000426723394 944726439 /nfs/dbraw/zinc/72/64/39/944726439.db2.gz LQJQPOIWYKYTAZ-GFCCVEGCSA-N 1 1 362.260 3.832 20 30 FHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCOc2ccccc2C)c(C#N)c1C ZINC000053722641 944746285 /nfs/dbraw/zinc/74/62/85/944746285.db2.gz ZLNMYMZTGHSJGK-INIZCTEOSA-N 1 1 369.465 3.804 20 30 FHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCOc2ccccc2C)c(C#N)c1C ZINC000053722641 944746290 /nfs/dbraw/zinc/74/62/90/944746290.db2.gz ZLNMYMZTGHSJGK-INIZCTEOSA-N 1 1 369.465 3.804 20 30 FHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000517890621 944798945 /nfs/dbraw/zinc/79/89/45/944798945.db2.gz ANOYUDXJTOLVDW-KRWDZBQOSA-N 1 1 364.449 3.875 20 30 FHEDMO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000517911365 944811701 /nfs/dbraw/zinc/81/17/01/944811701.db2.gz MVOYGROWLSXTOZ-RBBKRZOGSA-N 1 1 358.526 3.634 20 30 FHEDMO C[C@]12C[N@@H+](CC(=O)Nc3ccccc3SCC#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000516395712 944814521 /nfs/dbraw/zinc/81/45/21/944814521.db2.gz FSTNJKTXZAHENQ-UIVXKWKOSA-N 1 1 355.507 3.609 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425653526 944829638 /nfs/dbraw/zinc/82/96/38/944829638.db2.gz ZYCLQNLZAKXFGB-DYESRHJHSA-N 1 1 362.477 3.535 20 30 FHEDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000506295444 944834089 /nfs/dbraw/zinc/83/40/89/944834089.db2.gz QRQUGHOQWRXBID-IBGZPJMESA-N 1 1 364.445 3.522 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438641009 944875765 /nfs/dbraw/zinc/87/57/65/944875765.db2.gz KJDWSZUVYOJUGQ-LBPRGKRZSA-N 1 1 354.376 3.573 20 30 FHEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2cc(C(=O)OC)c(C)o2)ccc1OC ZINC000506311024 944880941 /nfs/dbraw/zinc/88/09/41/944880941.db2.gz AHYCXENZPJJPKS-UHFFFAOYSA-N 1 1 373.449 3.970 20 30 FHEDMO C=C(C)COc1cc(C[N@H+](C)Cc2cc(C(=O)OC)c(C)o2)ccc1OC ZINC000506311024 944880951 /nfs/dbraw/zinc/88/09/51/944880951.db2.gz AHYCXENZPJJPKS-UHFFFAOYSA-N 1 1 373.449 3.970 20 30 FHEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC000432026178 944931045 /nfs/dbraw/zinc/93/10/45/944931045.db2.gz MOMADEWRRIVTHX-DYESRHJHSA-N 1 1 372.415 3.803 20 30 FHEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC000432026178 944931051 /nfs/dbraw/zinc/93/10/51/944931051.db2.gz MOMADEWRRIVTHX-DYESRHJHSA-N 1 1 372.415 3.803 20 30 FHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CCC(=O)Nc1cccc(Cl)c1 ZINC000516509493 944959173 /nfs/dbraw/zinc/95/91/73/944959173.db2.gz RDNHACAYTNAOCF-UHFFFAOYSA-N 1 1 371.868 3.689 20 30 FHEDMO C=CCOc1ccccc1CNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000518966772 944984762 /nfs/dbraw/zinc/98/47/62/944984762.db2.gz PKLIQVAMODKWHZ-SFHVURJKSA-N 1 1 367.493 3.571 20 30 FHEDMO FC(F)(F)c1ccc(C#CCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000426996163 944985045 /nfs/dbraw/zinc/98/50/45/944985045.db2.gz XUCIZLATHGNSTA-UHFFFAOYSA-N 1 1 350.428 3.865 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511742090 944991044 /nfs/dbraw/zinc/99/10/44/944991044.db2.gz KHJAONOGIMBWSF-OAQYLSRUSA-N 1 1 361.489 3.897 20 30 FHEDMO CCOC(=O)COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000507152214 945002427 /nfs/dbraw/zinc/00/24/27/945002427.db2.gz QISQNGMLYAGRCG-UHFFFAOYSA-N 1 1 366.461 3.911 20 30 FHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC001167766457 945015279 /nfs/dbraw/zinc/01/52/79/945015279.db2.gz MEYVCVNWGJKJHX-HOTGVXAUSA-N 1 1 363.527 3.701 20 30 FHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC001167766457 945015287 /nfs/dbraw/zinc/01/52/87/945015287.db2.gz MEYVCVNWGJKJHX-HOTGVXAUSA-N 1 1 363.527 3.701 20 30 FHEDMO C=CCOc1ccc(C[NH2+]Cc2c(NC(=O)OC(C)(C)C)cnn2C)cc1 ZINC000894390031 945039187 /nfs/dbraw/zinc/03/91/87/945039187.db2.gz ZOYSXNXNZGPPLD-UHFFFAOYSA-N 1 1 372.469 3.622 20 30 FHEDMO N#Cc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c(OC(F)F)c1 ZINC000437138126 945048997 /nfs/dbraw/zinc/04/89/97/945048997.db2.gz PBUHJKUQWBBTPB-SFHVURJKSA-N 1 1 358.388 3.641 20 30 FHEDMO C[N@@H+](CCNC(=O)Nc1ccc(C#N)cc1Cl)Cc1ccc(F)cc1 ZINC000426162696 945056612 /nfs/dbraw/zinc/05/66/12/945056612.db2.gz QBHXHJXBRRDOKP-UHFFFAOYSA-N 1 1 360.820 3.604 20 30 FHEDMO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)c1ccc2c(c1)CCCC2 ZINC000330136139 945371737 /nfs/dbraw/zinc/37/17/37/945371737.db2.gz NCAPHNMJQVZSDV-KXBFYZLASA-N 1 1 367.497 3.581 20 30 FHEDMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2nnc[nH]2)C1)c1ccc2c(c1)CCCC2 ZINC000330136139 945371748 /nfs/dbraw/zinc/37/17/48/945371748.db2.gz NCAPHNMJQVZSDV-KXBFYZLASA-N 1 1 367.497 3.581 20 30 FHEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000507612459 945374518 /nfs/dbraw/zinc/37/45/18/945374518.db2.gz CJQIRBOHGJZPRI-YLJYHZDGSA-N 1 1 350.462 3.817 20 30 FHEDMO CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc21 ZINC000330242073 945420803 /nfs/dbraw/zinc/42/08/03/945420803.db2.gz FZSCQDIFYQGTLY-INIZCTEOSA-N 1 1 371.481 3.673 20 30 FHEDMO CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc21 ZINC000330242073 945420807 /nfs/dbraw/zinc/42/08/07/945420807.db2.gz FZSCQDIFYQGTLY-INIZCTEOSA-N 1 1 371.481 3.673 20 30 FHEDMO C[NH+](C)C1(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CCCC1 ZINC000330251672 945426299 /nfs/dbraw/zinc/42/62/99/945426299.db2.gz HWAQWGFVRQEYLM-UHFFFAOYSA-N 1 1 352.891 3.971 20 30 FHEDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330263852 945432632 /nfs/dbraw/zinc/43/26/32/945432632.db2.gz XCGVTLNWIHSXLP-RDJZCZTQSA-N 1 1 353.466 3.960 20 30 FHEDMO Cc1cc(C(=O)NCC[N@H+](C)C2CCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000729439615 945525504 /nfs/dbraw/zinc/52/55/04/945525504.db2.gz DVBMBVMMHHGYLV-UHFFFAOYSA-N 1 1 364.493 3.570 20 30 FHEDMO Cc1cccc2c1CC[N@H+](Cc1cc(=O)n3c4ccccc4[nH]c3c1C#N)C2 ZINC000729480162 945575101 /nfs/dbraw/zinc/57/51/01/945575101.db2.gz ZYEFSEQVZGMVSD-IBGZPJMESA-N 1 1 368.440 3.590 20 30 FHEDMO Cc1cccc2c1CC[N@@H+](Cc1cc(=O)n3c4ccccc4[nH]c3c1C#N)C2 ZINC000729480162 945575109 /nfs/dbraw/zinc/57/51/09/945575109.db2.gz ZYEFSEQVZGMVSD-IBGZPJMESA-N 1 1 368.440 3.590 20 30 FHEDMO C#CC[C@H](NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)c1ccccc1 ZINC000278842148 945754131 /nfs/dbraw/zinc/75/41/31/945754131.db2.gz VZRKJLDLQGUMLG-FQEVSTJZSA-N 1 1 363.461 3.707 20 30 FHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1CCC(C#N)CC1 ZINC000281630878 945791849 /nfs/dbraw/zinc/79/18/49/945791849.db2.gz ICSKWYIPFPQIJD-UHFFFAOYSA-N 1 1 356.514 3.656 20 30 FHEDMO CC(C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000519907781 945872619 /nfs/dbraw/zinc/87/26/19/945872619.db2.gz DAEKCSWPEFBZLD-UHFFFAOYSA-N 1 1 355.869 3.738 20 30 FHEDMO C=CC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)CC1 ZINC000111258318 945875060 /nfs/dbraw/zinc/87/50/60/945875060.db2.gz RGDWKOKOZPDSOD-QGZVFWFLSA-N 1 1 369.490 3.917 20 30 FHEDMO 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N#Cc1ccccc1COc1cccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000066905268 946588733 /nfs/dbraw/zinc/58/87/33/946588733.db2.gz KPCNELHBTFRPEF-IBGZPJMESA-N 1 1 361.489 3.711 20 30 FHEDMO C[N@@H+](CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C1CC1 ZINC000609730826 946646915 /nfs/dbraw/zinc/64/69/15/946646915.db2.gz BOALGOQLMXCWHJ-UHFFFAOYSA-N 1 1 369.852 3.828 20 30 FHEDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000609732859 946664005 /nfs/dbraw/zinc/66/40/05/946664005.db2.gz MIVVUOWJQTWTFR-CQSZACIVSA-N 1 1 369.852 3.780 20 30 FHEDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000609732859 946664013 /nfs/dbraw/zinc/66/40/13/946664013.db2.gz MIVVUOWJQTWTFR-CQSZACIVSA-N 1 1 369.852 3.780 20 30 FHEDMO C[NH+](C)Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)no1 ZINC000428361596 946697882 /nfs/dbraw/zinc/69/78/82/946697882.db2.gz GFLAPGHDGRDGBA-UHFFFAOYSA-N 1 1 362.389 3.652 20 30 FHEDMO C#CC[N@H+](Cc1c(C)cc(-c2nn[nH]n2)cc1C)[C@H]1CCCc2ccccc21 ZINC001573282878 946700156 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FHEDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000580758235 931114942 /nfs/dbraw/zinc/11/49/42/931114942.db2.gz QDUJTHCBNHCBHI-KRWDZBQOSA-N 1 1 366.490 3.925 20 30 FHEDMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473980 931467584 /nfs/dbraw/zinc/46/75/84/931467584.db2.gz NSEZJXKDQXCLKA-FOIQADDNSA-N 1 1 351.425 3.539 20 30 FHEDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473980 931467588 /nfs/dbraw/zinc/46/75/88/931467588.db2.gz NSEZJXKDQXCLKA-FOIQADDNSA-N 1 1 351.425 3.539 20 30 FHEDMO CC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000177899869 931523948 /nfs/dbraw/zinc/52/39/48/931523948.db2.gz PEAGLFZNEMUPKK-CYBMUJFWSA-N 1 1 357.483 3.555 20 30 FHEDMO CC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000177899869 931523953 /nfs/dbraw/zinc/52/39/53/931523953.db2.gz PEAGLFZNEMUPKK-CYBMUJFWSA-N 1 1 357.483 3.555 20 30 FHEDMO COc1ccc([C@H](CCC#N)NCC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC000581170975 931638440 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20 30 FHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3nccc(C#N)c3Cl)cc2)C1 ZINC000581540258 932226051 /nfs/dbraw/zinc/22/60/51/932226051.db2.gz RVHXYQZFURDBJP-OAHLLOKOSA-N 1 1 354.885 3.873 20 30 FHEDMO C[C@H](O)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC001167473030 932292847 /nfs/dbraw/zinc/29/28/47/932292847.db2.gz DYDLEBZSGWZLED-INIZCTEOSA-N 1 1 363.379 3.820 20 30 FHEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000656708253 932345014 /nfs/dbraw/zinc/34/50/14/932345014.db2.gz LBTPNDYTNNQRSV-PMACEKPBSA-N 1 1 371.452 3.750 20 30 FHEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000656708253 932345024 /nfs/dbraw/zinc/34/50/24/932345024.db2.gz LBTPNDYTNNQRSV-PMACEKPBSA-N 1 1 371.452 3.750 20 30 FHEDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000477188119 932379757 /nfs/dbraw/zinc/37/97/57/932379757.db2.gz MWURXEJNWRBDDQ-VXKWHMMOSA-N 1 1 361.489 3.833 20 30 FHEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)COC)cc1OCC ZINC000510444145 932413573 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3.683 20 30 FHEDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502511226 942487772 /nfs/dbraw/zinc/48/77/72/942487772.db2.gz NOFIJISOBJINDA-MRXNPFEDSA-N 1 1 361.445 3.683 20 30 FHEDMO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502510890 942487815 /nfs/dbraw/zinc/48/78/15/942487815.db2.gz MLITXARUAIMSQL-SFHVURJKSA-N 1 1 371.484 3.621 20 30 FHEDMO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502510890 942487817 /nfs/dbraw/zinc/48/78/17/942487817.db2.gz MLITXARUAIMSQL-SFHVURJKSA-N 1 1 371.484 3.621 20 30 FHEDMO C[C@@H](CNC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502512316 942489083 /nfs/dbraw/zinc/48/90/83/942489083.db2.gz SKEQHYYIURHLKI-OALUTQOASA-N 1 1 373.500 3.956 20 30 FHEDMO C[C@@H](CNC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502512316 942489088 /nfs/dbraw/zinc/48/90/88/942489088.db2.gz SKEQHYYIURHLKI-OALUTQOASA-N 1 1 373.500 3.956 20 30 FHEDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502515050 942508470 /nfs/dbraw/zinc/50/84/70/942508470.db2.gz HWJKXDARCSYSJZ-QGZVFWFLSA-N 1 1 357.457 3.625 20 30 FHEDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502515050 942508475 /nfs/dbraw/zinc/50/84/75/942508475.db2.gz HWJKXDARCSYSJZ-QGZVFWFLSA-N 1 1 357.457 3.625 20 30 FHEDMO Cc1ccccc1CN(C)C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502552373 942530689 /nfs/dbraw/zinc/53/06/89/942530689.db2.gz GCUBBHUOTGGXMT-UHFFFAOYSA-N 1 1 359.473 3.614 20 30 FHEDMO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502552373 942530694 /nfs/dbraw/zinc/53/06/94/942530694.db2.gz GCUBBHUOTGGXMT-UHFFFAOYSA-N 1 1 359.473 3.614 20 30 FHEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458809001 942582343 /nfs/dbraw/zinc/58/23/43/942582343.db2.gz ZRDDRZLGIQWEIQ-SLFFLAALSA-N 1 1 354.498 3.547 20 30 FHEDMO C=C1CCC(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)CC1 ZINC001268966797 942604461 /nfs/dbraw/zinc/60/44/61/942604461.db2.gz DHZUYUDIJZICPC-NHCUHLMSSA-N 1 1 361.574 3.528 20 30 FHEDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc(CC#N)cc3)sc2C1 ZINC000425076516 942629659 /nfs/dbraw/zinc/62/96/59/942629659.db2.gz GEWZLGTTWCBYOP-UHFFFAOYSA-N 1 1 354.479 3.618 20 30 FHEDMO COc1cc(C[N@H+]2CCOC[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000513978250 942638247 /nfs/dbraw/zinc/63/82/47/942638247.db2.gz IEAFDQFAHZBDTL-QGZVFWFLSA-N 1 1 366.461 3.614 20 30 FHEDMO N#C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@]12c1ccccc1NC2=O ZINC000513975086 942639710 /nfs/dbraw/zinc/63/97/10/942639710.db2.gz XGDHBARBENZEOL-CVDCTZTESA-N 1 1 353.425 3.685 20 30 FHEDMO N#C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@]12c1ccccc1NC2=O ZINC000513975086 942639714 /nfs/dbraw/zinc/63/97/14/942639714.db2.gz XGDHBARBENZEOL-CVDCTZTESA-N 1 1 353.425 3.685 20 30 FHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000367037413 942735014 /nfs/dbraw/zinc/73/50/14/942735014.db2.gz LBHLEWCQVOATGV-RBBKRZOGSA-N 1 1 359.473 3.716 20 30 FHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSCC[C@H]1C ZINC000502838635 942773031 /nfs/dbraw/zinc/77/30/31/942773031.db2.gz CRHMWTBOKYIHJN-LSDHHAIUSA-N 1 1 363.552 3.704 20 30 FHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSCC[C@H]1C ZINC000502838635 942773033 /nfs/dbraw/zinc/77/30/33/942773033.db2.gz CRHMWTBOKYIHJN-LSDHHAIUSA-N 1 1 363.552 3.704 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSCC[C@@H]1C ZINC000502838630 942773340 /nfs/dbraw/zinc/77/33/40/942773340.db2.gz CRHMWTBOKYIHJN-CABCVRRESA-N 1 1 363.552 3.704 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSCC[C@@H]1C ZINC000502838630 942773337 /nfs/dbraw/zinc/77/33/37/942773337.db2.gz CRHMWTBOKYIHJN-CABCVRRESA-N 1 1 363.552 3.704 20 30 FHEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000466926974 942891016 /nfs/dbraw/zinc/89/10/16/942891016.db2.gz OJVFPLKSXXHBPJ-DLBZAZTESA-N 1 1 369.534 3.916 20 30 FHEDMO C=CCn1c(SCC[N@H+](C)Cc2ccccc2)nnc1-c1ccncc1 ZINC000430106562 942902744 /nfs/dbraw/zinc/90/27/44/942902744.db2.gz RELUONAUUUYGEK-UHFFFAOYSA-N 1 1 365.506 3.750 20 30 FHEDMO C#CCCOc1ccc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000236685682 942987318 /nfs/dbraw/zinc/98/73/18/942987318.db2.gz BURRHFJNDIHXSH-HSZRJFAPSA-N 1 1 362.517 3.743 20 30 FHEDMO C#CCCOc1ccc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000236685682 942987320 /nfs/dbraw/zinc/98/73/20/942987320.db2.gz BURRHFJNDIHXSH-HSZRJFAPSA-N 1 1 362.517 3.743 20 30 FHEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)C1=O ZINC000434849887 943005725 /nfs/dbraw/zinc/00/57/25/943005725.db2.gz HGZQYTHLQVUHOB-MJGOQNOKSA-N 1 1 365.502 3.995 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416699687 943049770 /nfs/dbraw/zinc/04/97/70/943049770.db2.gz YTAANUNHGPYWLY-UTKZUKDTSA-N 1 1 368.525 3.889 20 30 FHEDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cccn2Cc2ccccc2C#N)C1 ZINC000365832541 943071376 /nfs/dbraw/zinc/07/13/76/943071376.db2.gz OVVRQJNLQWDRBH-FQEVSTJZSA-N 1 1 359.477 3.521 20 30 FHEDMO C[C@H](CCNC(=O)c1cc(C#N)ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000584582069 943136598 /nfs/dbraw/zinc/13/65/98/943136598.db2.gz RAQBUOULSCIWTK-OAHLLOKOSA-N 1 1 355.869 3.852 20 30 FHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000435063976 943136873 /nfs/dbraw/zinc/13/68/73/943136873.db2.gz DGCTZNYJKHQYRC-WNYOCNMUSA-N 1 1 352.409 3.789 20 30 FHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000435063976 943136876 /nfs/dbraw/zinc/13/68/76/943136876.db2.gz DGCTZNYJKHQYRC-WNYOCNMUSA-N 1 1 352.409 3.789 20 30 FHEDMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272478868 943161722 /nfs/dbraw/zinc/16/17/22/943161722.db2.gz ATCAURBGJVVXNH-GOSISDBHSA-N 1 1 361.489 3.906 20 30 FHEDMO C[C@H](CCNC(=O)Nc1ccc(F)cc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000435160194 943215997 /nfs/dbraw/zinc/21/59/97/943215997.db2.gz ZTAZNYDZMQTJHK-OAHLLOKOSA-N 1 1 354.429 3.729 20 30 FHEDMO C[C@@H](CCNC(=O)Nc1ccc(F)cc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000435160193 943216092 /nfs/dbraw/zinc/21/60/92/943216092.db2.gz ZTAZNYDZMQTJHK-HNNXBMFYSA-N 1 1 354.429 3.729 20 30 FHEDMO C=C(C)[C@@H](CC(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@H+]1CC)OCC ZINC000503497311 943220046 /nfs/dbraw/zinc/22/00/46/943220046.db2.gz PXXJUCLRXXHAOE-TZIWHRDSSA-N 1 1 374.525 3.576 20 30 FHEDMO C[NH+]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000510022997 943220735 /nfs/dbraw/zinc/22/07/35/943220735.db2.gz IDRUQRHTSXNJMC-GOSISDBHSA-N 1 1 368.868 3.775 20 30 FHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000466929072 943251458 /nfs/dbraw/zinc/25/14/58/943251458.db2.gz NBUIQMNFDZONLI-QGZVFWFLSA-N 1 1 369.534 3.918 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435267752 943291373 /nfs/dbraw/zinc/29/13/73/943291373.db2.gz KTGGCNTXGUZCTN-GOSISDBHSA-N 1 1 366.509 3.939 20 30 FHEDMO COc1ccc(C#N)cc1C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000503624720 943297350 /nfs/dbraw/zinc/29/73/50/943297350.db2.gz DEYGIIWJSOZLCU-UHFFFAOYSA-N 1 1 365.260 3.868 20 30 FHEDMO COc1ccc(C#N)cc1C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000503624720 943297357 /nfs/dbraw/zinc/29/73/57/943297357.db2.gz DEYGIIWJSOZLCU-UHFFFAOYSA-N 1 1 365.260 3.868 20 30 FHEDMO C[NH+](C)[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)c1ccco1 ZINC000435350512 943349403 /nfs/dbraw/zinc/34/94/03/943349403.db2.gz OJONVGZAHSBZGX-IBGZPJMESA-N 1 1 364.449 3.571 20 30 FHEDMO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422999725 943360878 /nfs/dbraw/zinc/36/08/78/943360878.db2.gz YHJWFVKTXNHCQG-MTWWTJSRSA-N 1 1 363.505 3.796 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000425368971 943384756 /nfs/dbraw/zinc/38/47/56/943384756.db2.gz YSQYABIYVNIHHJ-HZPDHXFCSA-N 1 1 356.491 3.758 20 30 FHEDMO C[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000503869128 943392141 /nfs/dbraw/zinc/39/21/41/943392141.db2.gz DPNPMWLYBWWXRF-SFHVURJKSA-N 1 1 371.484 3.621 20 30 FHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431930550 943449300 /nfs/dbraw/zinc/44/93/00/943449300.db2.gz HMQRPICISWCFHU-VQTJNVASSA-N 1 1 356.514 3.985 20 30 FHEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](CC)CCCC)C[C@H](C1)O2 ZINC001269977033 943469818 /nfs/dbraw/zinc/46/98/18/943469818.db2.gz GVZOVWZVUZDYPZ-GBESFXJTSA-N 1 1 350.547 3.717 20 30 FHEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](CC)CCCC ZINC001269977251 943470303 /nfs/dbraw/zinc/47/03/03/943470303.db2.gz KLGZWZLJHKFSMA-QRVBRYPASA-N 1 1 350.547 3.717 20 30 FHEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](CC)CCCC ZINC001269977251 943470307 /nfs/dbraw/zinc/47/03/07/943470307.db2.gz KLGZWZLJHKFSMA-QRVBRYPASA-N 1 1 350.547 3.717 20 30 FHEDMO C=CCOCCC(=O)N1C[C@@H]2CC[N@@H+](C[C@H](CC)CCCC)CC[C@@H]2C1 ZINC001269982155 943473912 /nfs/dbraw/zinc/47/39/12/943473912.db2.gz HQHYZGLFTOKXRF-NJYVYQBISA-N 1 1 364.574 3.966 20 30 FHEDMO C=CC[C@@H](C)NC(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435538555 943474646 /nfs/dbraw/zinc/47/46/46/943474646.db2.gz WVFBAUALHCOENL-APWZRJJASA-N 1 1 367.497 3.725 20 30 FHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000515065669 943483681 /nfs/dbraw/zinc/48/36/81/943483681.db2.gz ZFDOPOFDCLYUHH-UHFFFAOYSA-N 1 1 357.404 3.557 20 30 FHEDMO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c(C#N)c1C ZINC000435688782 943557944 /nfs/dbraw/zinc/55/79/44/943557944.db2.gz SVUKZHXAEOOYHS-SFHVURJKSA-N 1 1 351.450 3.804 20 30 FHEDMO Cc1oc(NC(=O)C[N@H+]2CCCC[C@H]2Cc2ccccc2)c(C#N)c1C ZINC000435688782 943557950 /nfs/dbraw/zinc/55/79/50/943557950.db2.gz SVUKZHXAEOOYHS-SFHVURJKSA-N 1 1 351.450 3.804 20 30 FHEDMO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1 ZINC000504538775 943661856 /nfs/dbraw/zinc/66/18/56/943661856.db2.gz NIUFJUYMTCBVRR-PBHICJAKSA-N 1 1 367.449 3.593 20 30 FHEDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1 ZINC000504538775 943661862 /nfs/dbraw/zinc/66/18/62/943661862.db2.gz NIUFJUYMTCBVRR-PBHICJAKSA-N 1 1 367.449 3.593 20 30 FHEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000504686498 943745592 /nfs/dbraw/zinc/74/55/92/943745592.db2.gz FRUBOKAOGACIQB-UYAOXDASSA-N 1 1 356.853 3.593 20 30 FHEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000504686498 943745597 /nfs/dbraw/zinc/74/55/97/943745597.db2.gz FRUBOKAOGACIQB-UYAOXDASSA-N 1 1 356.853 3.593 20 30 FHEDMO COc1cncc(/C=C/CC[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000516864949 943778819 /nfs/dbraw/zinc/77/88/19/943778819.db2.gz WCLCCQLTAYXPQG-HWKANZROSA-N 1 1 351.450 3.514 20 30 FHEDMO COc1cccc([C@H]2[C@@H](NCc3ccc(F)cc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000549476708 943813311 /nfs/dbraw/zinc/81/33/11/943813311.db2.gz GYKTWGISLBSKJZ-VXKWHMMOSA-N 1 1 365.452 3.774 20 30 FHEDMO COc1cccc([C@H]2[C@@H](NCc3ccc(F)cc3C#N)CC[N@H+]2C2CC2)c1 ZINC000549476708 943813316 /nfs/dbraw/zinc/81/33/16/943813316.db2.gz GYKTWGISLBSKJZ-VXKWHMMOSA-N 1 1 365.452 3.774 20 30 FHEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000584869553 943825487 /nfs/dbraw/zinc/82/54/87/943825487.db2.gz NFMSRCDZENTTPX-RTBURBONSA-N 1 1 357.498 3.802 20 30 FHEDMO N#Cc1ccc(C[NH2+]C2(C(=O)Nc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000516952475 943858915 /nfs/dbraw/zinc/85/89/15/943858915.db2.gz WFPTYFRNDQNLOT-UHFFFAOYSA-N 1 1 359.351 3.838 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000425416218 943859339 /nfs/dbraw/zinc/85/93/39/943859339.db2.gz KUNLMKDVGXQMFV-IAGOWNOFSA-N 1 1 356.514 3.771 20 30 FHEDMO C=CCCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436010449 943925325 /nfs/dbraw/zinc/92/53/25/943925325.db2.gz HDMFIRHZKXXZEJ-UHFFFAOYSA-N 1 1 353.510 3.880 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000437573147 943928866 /nfs/dbraw/zinc/92/88/66/943928866.db2.gz ZCIIUEGBZCRIJL-WBVHZDCISA-N 1 1 354.416 3.741 20 30 FHEDMO C[C@@H]1C[C@H](CCNc2nccc(C#N)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000511641564 943929417 /nfs/dbraw/zinc/92/94/17/943929417.db2.gz CFGNPFFXAJOARR-WBVHZDCISA-N 1 1 365.437 3.574 20 30 FHEDMO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000425438384 943936697 /nfs/dbraw/zinc/93/66/97/943936697.db2.gz ANYAUPWTSVWPNY-ROUUACIJSA-N 1 1 364.493 3.781 20 30 FHEDMO C[C@H](C[NH+]1CCC(C)CC1)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000517042535 943945014 /nfs/dbraw/zinc/94/50/14/943945014.db2.gz XPGLWLVOAOSKLB-LJQANCHMSA-N 1 1 365.525 3.674 20 30 FHEDMO C=CCCc1ccccc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000505010616 943967543 /nfs/dbraw/zinc/96/75/43/943967543.db2.gz JMAJRXJNXZHRDC-QGZVFWFLSA-N 1 1 357.498 3.522 20 30 FHEDMO CCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000425853226 944011670 /nfs/dbraw/zinc/01/16/70/944011670.db2.gz VSESPJCCYDTLGC-PIKOESSRSA-N 1 1 354.498 3.546 20 30 FHEDMO CCCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000425853273 944011730 /nfs/dbraw/zinc/01/17/30/944011730.db2.gz VXXCKCVMJTVFFM-HBMCJLEFSA-N 1 1 368.525 3.765 20 30 FHEDMO 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C=CCn1c(CC(C)C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508475239 946983885 /nfs/dbraw/zinc/98/38/85/946983885.db2.gz YBSHMJHYOKBODB-MOPGFXCFSA-N 1 1 359.562 3.753 20 30 FHEDMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328690563 946989424 /nfs/dbraw/zinc/98/94/24/946989424.db2.gz BSYSPICNTPCLAC-MTFMMBMASA-N 1 1 374.525 3.957 20 30 FHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000475382694 946989943 /nfs/dbraw/zinc/98/99/43/946989943.db2.gz WGKCFOJBIRYLCD-KOUHRCEDSA-N 1 1 353.510 3.938 20 30 FHEDMO CC[N@H+]1CCC[C@@H](NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)C1 ZINC000328701592 946995817 /nfs/dbraw/zinc/99/58/17/946995817.db2.gz WTKRVHBIPDGECB-IUODEOHRSA-N 1 1 371.934 3.597 20 30 FHEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000444607968 947033679 /nfs/dbraw/zinc/03/36/79/947033679.db2.gz JZKNMHZFUQJGTR-UHFFFAOYSA-N 1 1 365.880 3.957 20 30 FHEDMO C[C@@H](CN1CCOCC1)[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444617097 947034393 /nfs/dbraw/zinc/03/43/93/947034393.db2.gz DSIGQKXHZCLNEP-FQEVSTJZSA-N 1 1 357.542 3.929 20 30 FHEDMO CN1CCN(Cc2cccc(NC(=O)c3coc(C4CCCC4)n3)c2)CC1 ZINC000328821257 947038411 /nfs/dbraw/zinc/03/84/11/947038411.db2.gz RBSMCTRYJRMCBD-UHFFFAOYSA-N 1 1 368.481 3.716 20 30 FHEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000328821560 947038930 /nfs/dbraw/zinc/03/89/30/947038930.db2.gz HUNZFFZDUAPALS-QAPCUYQASA-N 1 1 358.486 3.765 20 30 FHEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000444613577 947039099 /nfs/dbraw/zinc/03/90/99/947039099.db2.gz UQQBKSVKUCANDC-UHFFFAOYSA-N 1 1 355.526 3.874 20 30 FHEDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccc(-n2ccnn2)cc1 ZINC000328797570 947050467 /nfs/dbraw/zinc/05/04/67/947050467.db2.gz VYQUFPLGLBUGTH-KXBFYZLASA-N 1 1 353.470 3.692 20 30 FHEDMO O=C(Nc1cccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1)C1CC1 ZINC000328800738 947051729 /nfs/dbraw/zinc/05/17/29/947051729.db2.gz YQKKWSSBHPGQRL-UHFFFAOYSA-N 1 1 355.482 3.633 20 30 FHEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC000328828389 947054372 /nfs/dbraw/zinc/05/43/72/947054372.db2.gz QQMZIFRWVYTFBS-VQIMIIECSA-N 1 1 373.497 3.879 20 30 FHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328846523 947063766 /nfs/dbraw/zinc/06/37/66/947063766.db2.gz QLXLTVPNRZBTQO-DZGCQCFKSA-N 1 1 373.522 3.833 20 30 FHEDMO C=CC[C@H]1N(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CCCC1(C)C ZINC000444634465 947066098 /nfs/dbraw/zinc/06/60/98/947066098.db2.gz HRAPAWTWVJBSJK-OAQYLSRUSA-N 1 1 369.553 3.641 20 30 FHEDMO Cc1c(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cccc1OCC(F)(F)F ZINC000328874057 947077613 /nfs/dbraw/zinc/07/76/13/947077613.db2.gz JIXIILUSWUBDIM-CABCVRRESA-N 1 1 371.403 3.698 20 30 FHEDMO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508505321 947109053 /nfs/dbraw/zinc/10/90/53/947109053.db2.gz NCNZBOLWKFGBLI-JKSUJKDBSA-N 1 1 359.543 3.922 20 30 FHEDMO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000328962661 947125056 /nfs/dbraw/zinc/12/50/56/947125056.db2.gz QZXUPOUFEDSIFN-YQVWRLOYSA-N 1 1 362.518 3.620 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)c2)C[C@H](C)O1 ZINC000328960244 947125318 /nfs/dbraw/zinc/12/53/18/947125318.db2.gz PLBAVFMMSSGEHV-XLMAVXFVSA-N 1 1 358.482 3.889 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)c2)C[C@H](C)O1 ZINC000328960244 947125324 /nfs/dbraw/zinc/12/53/24/947125324.db2.gz PLBAVFMMSSGEHV-XLMAVXFVSA-N 1 1 358.482 3.889 20 30 FHEDMO CC(C)(C#N)CCCC[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000444706840 947134000 /nfs/dbraw/zinc/13/40/00/947134000.db2.gz OUYXGMHCRVZNJW-UHFFFAOYSA-N 1 1 353.304 3.963 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2ccon2)CC1 ZINC000662047495 947150525 /nfs/dbraw/zinc/15/05/25/947150525.db2.gz KIFSLCZGMJSIRY-OAHLLOKOSA-N 1 1 359.495 3.519 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000330462839 947177181 /nfs/dbraw/zinc/17/71/81/947177181.db2.gz TYNFCNKIULSVNH-IUODEOHRSA-N 1 1 354.281 3.939 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)C[C@@H]1C ZINC000330501568 947202734 /nfs/dbraw/zinc/20/27/34/947202734.db2.gz UXLKYNHQAJYIEN-UONOGXRCSA-N 1 1 371.476 3.827 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)[C@H](C)C1 ZINC000330501606 947203107 /nfs/dbraw/zinc/20/31/07/947203107.db2.gz VBBGGZJKUGMQPY-UKRRQHHQSA-N 1 1 371.476 3.684 20 30 FHEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccccc1C ZINC000444783507 947225188 /nfs/dbraw/zinc/22/51/88/947225188.db2.gz KMOKJSYRINJNEN-CZUORRHYSA-N 1 1 355.404 3.586 20 30 FHEDMO CNc1ccc(Cl)c(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000330653663 947225906 /nfs/dbraw/zinc/22/59/06/947225906.db2.gz RPEULDWZSITXCV-BETUJISGSA-N 1 1 353.894 3.574 20 30 FHEDMO CNc1ccc(Cl)c(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000330653663 947225914 /nfs/dbraw/zinc/22/59/14/947225914.db2.gz RPEULDWZSITXCV-BETUJISGSA-N 1 1 353.894 3.574 20 30 FHEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000523396741 947227563 /nfs/dbraw/zinc/22/75/63/947227563.db2.gz BIRZTMZYQQFXRP-OAQYLSRUSA-N 1 1 362.477 3.714 20 30 FHEDMO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000444794329 947233129 /nfs/dbraw/zinc/23/31/29/947233129.db2.gz VFISTUBKNXHXNW-WBVHZDCISA-N 1 1 355.404 3.633 20 30 FHEDMO C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000444795267 947233646 /nfs/dbraw/zinc/23/36/46/947233646.db2.gz UOLITGKRKNYZGD-GOSISDBHSA-N 1 1 363.505 3.502 20 30 FHEDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000444798787 947234396 /nfs/dbraw/zinc/23/43/96/947234396.db2.gz GGRCIIRGLWJFBA-FQEVSTJZSA-N 1 1 368.502 3.624 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(C)=O)c(Cl)c2)C[C@@H]1C ZINC000330804388 947278142 /nfs/dbraw/zinc/27/81/42/947278142.db2.gz KHMGAULBIXGKOJ-WFASDCNBSA-N 1 1 351.878 3.893 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000330942744 947314529 /nfs/dbraw/zinc/31/45/29/947314529.db2.gz GVQWCCGTBFPCCO-VXGBXAGGSA-N 1 1 354.838 3.598 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)c(Cl)cc2OC)C[C@@H]1C ZINC000331145696 947357574 /nfs/dbraw/zinc/35/75/74/947357574.db2.gz SFHDPCOIJQKHAS-QWHCGFSZSA-N 1 1 369.893 3.707 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C ZINC000331276418 947375252 /nfs/dbraw/zinc/37/52/52/947375252.db2.gz IYHMROZFEBUSAE-RDJZCZTQSA-N 1 1 358.486 3.696 20 30 FHEDMO CNC(=O)c1ccc(C)c(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000331301931 947393672 /nfs/dbraw/zinc/39/36/72/947393672.db2.gz PUPBEDPSKLWBCX-KRWDZBQOSA-N 1 1 360.502 3.766 20 30 FHEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(-c2cccnc2)n1 ZINC000093872251 947428783 /nfs/dbraw/zinc/42/87/83/947428783.db2.gz IIQPJRGTHKAMCH-LEWJYISDSA-N 1 1 357.461 3.754 20 30 FHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(-c2cccnc2)n1 ZINC000093872251 947428788 /nfs/dbraw/zinc/42/87/88/947428788.db2.gz IIQPJRGTHKAMCH-LEWJYISDSA-N 1 1 357.461 3.754 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1 ZINC000441452916 947514395 /nfs/dbraw/zinc/51/43/95/947514395.db2.gz AADXYLDZRPRBPJ-OPYAIIAOSA-N 1 1 369.509 3.985 20 30 FHEDMO Cc1cccc(NC2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)c1 ZINC000440676230 947577383 /nfs/dbraw/zinc/57/73/83/947577383.db2.gz TWROOTAAAZGCPF-UHFFFAOYSA-N 1 1 373.460 3.993 20 30 FHEDMO C=CCSCCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000511965679 947608309 /nfs/dbraw/zinc/60/83/09/947608309.db2.gz TZHYPQDFELFACB-UHFFFAOYSA-N 1 1 354.519 3.968 20 30 FHEDMO CC[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(C#N)cc1 ZINC000278860841 947640287 /nfs/dbraw/zinc/64/02/87/947640287.db2.gz WGODVVNMSJFKKF-NHCUHLMSSA-N 1 1 362.477 3.571 20 30 FHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000129560037 947824768 /nfs/dbraw/zinc/82/47/68/947824768.db2.gz FEPVTRQYQFKINI-QWHCGFSZSA-N 1 1 351.853 3.861 20 30 FHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(C#N)c1 ZINC000278875378 947938969 /nfs/dbraw/zinc/93/89/69/947938969.db2.gz NKCZKUMOBOUCMB-SFHVURJKSA-N 1 1 365.452 3.682 20 30 FHEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000190451142 947981407 /nfs/dbraw/zinc/98/14/07/947981407.db2.gz AYKIDRCIDUYXRN-MRXNPFEDSA-N 1 1 352.482 3.721 20 30 FHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1c[nH]c2ccccc12 ZINC000190488821 947989195 /nfs/dbraw/zinc/98/91/95/947989195.db2.gz CIHOLWDFSGLPQJ-UHFFFAOYSA-N 1 1 360.461 3.937 20 30 FHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)COc2ccccc2C#N)c1 ZINC000054011086 948161947 /nfs/dbraw/zinc/16/19/47/948161947.db2.gz AZAYHCCLAHCHBJ-UHFFFAOYSA-N 1 1 374.444 3.944 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001168002101 948210607 /nfs/dbraw/zinc/21/06/07/948210607.db2.gz LTEDDHDTJKZSHC-MXHMCPQYSA-N 1 1 365.521 3.807 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001168002101 948210610 /nfs/dbraw/zinc/21/06/10/948210610.db2.gz LTEDDHDTJKZSHC-MXHMCPQYSA-N 1 1 365.521 3.807 20 30 FHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092504417 948218173 /nfs/dbraw/zinc/21/81/73/948218173.db2.gz QAYVAQTZHRIPLI-UHFFFAOYSA-N 1 1 365.452 3.722 20 30 FHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(OC)c2c(c1)OCCO2 ZINC000092504335 948218713 /nfs/dbraw/zinc/21/87/13/948218713.db2.gz LSEZYPZACJWNCN-UHFFFAOYSA-N 1 1 350.418 3.526 20 30 FHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(OC)c2c(c1)OCCO2 ZINC000092504335 948218720 /nfs/dbraw/zinc/21/87/20/948218720.db2.gz LSEZYPZACJWNCN-UHFFFAOYSA-N 1 1 350.418 3.526 20 30 FHEDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000178525139 948237303 /nfs/dbraw/zinc/23/73/03/948237303.db2.gz OVNDSMJTVXKVKX-MRXNPFEDSA-N 1 1 357.498 3.834 20 30 FHEDMO C=CCN(C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H](C)COC ZINC000663581287 948246853 /nfs/dbraw/zinc/24/68/53/948246853.db2.gz JMBSFFHSQQMYBT-MOPGFXCFSA-N 1 1 373.541 3.794 20 30 FHEDMO C[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[N@@H+](C)C1CC1 ZINC000106769787 948261987 /nfs/dbraw/zinc/26/19/87/948261987.db2.gz GKFMDBQVHUHNMX-CQSZACIVSA-N 1 1 367.424 3.702 20 30 FHEDMO C[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[N@@H+](C)C1CC1 ZINC000106769786 948269332 /nfs/dbraw/zinc/26/93/32/948269332.db2.gz GKFMDBQVHUHNMX-AWEZNQCLSA-N 1 1 367.424 3.702 20 30 FHEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000438601018 948302513 /nfs/dbraw/zinc/30/25/13/948302513.db2.gz SZGBRGJSQGOFPL-UHFFFAOYSA-N 1 1 350.462 3.874 20 30 FHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)CCCCCO)c1C#N ZINC000278974741 948352044 /nfs/dbraw/zinc/35/20/44/948352044.db2.gz YGEPEUNFBKRXLO-UHFFFAOYSA-N 1 1 374.529 3.515 20 30 FHEDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135224796 948397780 /nfs/dbraw/zinc/39/77/80/948397780.db2.gz HDLNKGTUQJGPTP-QGZVFWFLSA-N 1 1 355.526 3.862 20 30 FHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)cc1C ZINC000163083385 948510188 /nfs/dbraw/zinc/51/01/88/948510188.db2.gz WHGOCAFSSPAXOX-GOSISDBHSA-N 1 1 365.477 3.949 20 30 FHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)cc1C ZINC000163083385 948510196 /nfs/dbraw/zinc/51/01/96/948510196.db2.gz WHGOCAFSSPAXOX-GOSISDBHSA-N 1 1 365.477 3.949 20 30 FHEDMO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000473215038 948538181 /nfs/dbraw/zinc/53/81/81/948538181.db2.gz LXLXIDURBNHVMP-SFHVURJKSA-N 1 1 373.378 3.814 20 30 FHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000473215038 948538187 /nfs/dbraw/zinc/53/81/87/948538187.db2.gz LXLXIDURBNHVMP-SFHVURJKSA-N 1 1 373.378 3.814 20 30 FHEDMO C=CCc1cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000107603342 948654126 /nfs/dbraw/zinc/65/41/26/948654126.db2.gz PZCHCQVIZBREPE-KRWDZBQOSA-N 1 1 374.525 3.817 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000054532919 221054480 /nfs/dbraw/zinc/05/44/80/221054480.db2.gz GDUWHOGKXVXXMK-UHFFFAOYSA-N 1 1 368.868 3.951 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000054532919 221054483 /nfs/dbraw/zinc/05/44/83/221054483.db2.gz GDUWHOGKXVXXMK-UHFFFAOYSA-N 1 1 368.868 3.951 20 30 FHEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000602525131 567987724 /nfs/dbraw/zinc/98/77/24/567987724.db2.gz RJKQJXFBMRLCSC-PZJWPPBQSA-N 1 1 355.526 3.587 20 30 FHEDMO CC[NH+](CC)[C@@H](CN[C@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602508513 567988959 /nfs/dbraw/zinc/98/89/59/567988959.db2.gz NBDYGHZOPYQQBO-TZIWHRDSSA-N 1 1 357.542 3.628 20 30 FHEDMO C[N@@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)CC1(CC#N)CC1 ZINC000602772008 568028346 /nfs/dbraw/zinc/02/83/46/568028346.db2.gz FMOIFTISVYIPKN-UHFFFAOYSA-N 1 1 369.490 3.613 20 30 FHEDMO CCOc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1OC ZINC000568448337 568039244 /nfs/dbraw/zinc/03/92/44/568039244.db2.gz HJDLLKTUABGINJ-UHFFFAOYSA-N 1 1 354.450 3.614 20 30 FHEDMO Cc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)c(C)c1 ZINC000604081570 568209130 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FHEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2CC2CCCCC2)cc1 ZINC000604508642 568305748 /nfs/dbraw/zinc/30/57/48/568305748.db2.gz CMUIOKUEKXVKJA-SFTDATJTSA-N 1 1 356.510 3.927 20 30 FHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000569723643 568413925 /nfs/dbraw/zinc/41/39/25/568413925.db2.gz MBGDYODIGATWFQ-KXBFYZLASA-N 1 1 361.449 3.583 20 30 FHEDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000365363766 568568102 /nfs/dbraw/zinc/56/81/02/568568102.db2.gz PNCQNRKIMVAHOO-GOSISDBHSA-N 1 1 351.454 3.769 20 30 FHEDMO N#Cc1c[nH]c2nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc12 ZINC001164619954 719083118 /nfs/dbraw/zinc/08/31/18/719083118.db2.gz DIJNGPVCCZESGH-XLIONFOSSA-N 1 1 357.461 3.535 20 30 FHEDMO N#Cc1cc(Cl)cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164630408 719091297 /nfs/dbraw/zinc/09/12/97/719091297.db2.gz WBUCQMHQLVHJKC-VQIMIIECSA-N 1 1 352.869 3.707 20 30 FHEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C#N)c(C)n2)CC3)cs1 ZINC001164693502 719810904 /nfs/dbraw/zinc/81/09/04/719810904.db2.gz VRNSNBGPIBMIPH-UHFFFAOYSA-N 1 1 367.522 3.662 20 30 FHEDMO C=C(C)COc1cc(C[NH2+][C@H]2CCCn3nc(C(C)C)nc32)ccc1OC ZINC000153789590 937099863 /nfs/dbraw/zinc/09/98/63/937099863.db2.gz ZSXBXSPAKHTNMG-KRWDZBQOSA-N 1 1 370.497 3.990 20 30 FHEDMO Cc1csc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000583092533 937109158 /nfs/dbraw/zinc/10/91/58/937109158.db2.gz RNRUAYOOFVBECO-MRXNPFEDSA-N 1 1 354.479 3.572 20 30 FHEDMO C=CCOc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000046991608 927185023 /nfs/dbraw/zinc/18/50/23/927185023.db2.gz BKJJFCIEQRJYKN-KRWDZBQOSA-N 1 1 360.498 3.502 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(-c4ccccc4)n3)C2)nc1 ZINC000583120277 937142229 /nfs/dbraw/zinc/14/22/29/937142229.db2.gz REGISSMVUONANQ-GOSISDBHSA-N 1 1 362.458 3.730 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)nc1 ZINC000583120277 937142231 /nfs/dbraw/zinc/14/22/31/937142231.db2.gz REGISSMVUONANQ-GOSISDBHSA-N 1 1 362.458 3.730 20 30 FHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654733968 927217914 /nfs/dbraw/zinc/21/79/14/927217914.db2.gz GDIGOSJCKIDROW-VQTJNVASSA-N 1 1 373.545 3.569 20 30 FHEDMO CCCCC[N@@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000120105263 927245379 /nfs/dbraw/zinc/24/53/79/927245379.db2.gz QQQCGHDEIFEBSF-UHFFFAOYSA-N 1 1 374.529 3.515 20 30 FHEDMO CC(C)c1cc(N2CCC(CC#N)CC2)nc(N2CCC(CC#N)CC2)[nH+]1 ZINC000616377261 927442577 /nfs/dbraw/zinc/44/25/77/927442577.db2.gz FDXUKDCUCHJBOU-UHFFFAOYSA-N 1 1 366.513 3.860 20 30 FHEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246859917 927465652 /nfs/dbraw/zinc/46/56/52/927465652.db2.gz SIZAWFDQOMMIJK-YJBOKZPZSA-N 1 1 354.479 3.824 20 30 FHEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000178797888 937180725 /nfs/dbraw/zinc/18/07/25/937180725.db2.gz YXDVAKMAFDCGFG-INIZCTEOSA-N 1 1 359.518 3.604 20 30 FHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CCCCCOc3ccccc3)C2)nc1 ZINC000430186233 927657819 /nfs/dbraw/zinc/65/78/19/927657819.db2.gz MJKSJKBYXYDZPQ-FQEVSTJZSA-N 1 1 351.450 3.656 20 30 FHEDMO Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000043144408 927984400 /nfs/dbraw/zinc/98/44/00/927984400.db2.gz QDEHWLVOYZFUGG-UHFFFAOYSA-N 1 1 362.477 3.915 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510087748 928022012 /nfs/dbraw/zinc/02/20/12/928022012.db2.gz OABIADCNVPPLPU-GHTZIAJQSA-N 1 1 361.489 3.897 20 30 FHEDMO Cc1cc(C#N)ccc1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510087752 928022384 /nfs/dbraw/zinc/02/23/84/928022384.db2.gz OABIADCNVPPLPU-WIYYLYMNSA-N 1 1 361.489 3.897 20 30 FHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NCc1cccs1)c1ccc(F)c(F)c1 ZINC000187775575 937214113 /nfs/dbraw/zinc/21/41/13/937214113.db2.gz HSPKCRAZPSNMML-SJKOYZFVSA-N 1 1 350.434 3.938 20 30 FHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000187778200 937218833 /nfs/dbraw/zinc/21/88/33/937218833.db2.gz YCMHIIDGCWXQFY-FQEVSTJZSA-N 1 1 373.403 3.769 20 30 FHEDMO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccoc2)C2CCCCC2)cc1 ZINC000610215368 928189328 /nfs/dbraw/zinc/18/93/28/928189328.db2.gz IMWWMHATVOPDSD-UHFFFAOYSA-N 1 1 351.450 3.602 20 30 FHEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC[C@H]1c1ccccc1 ZINC000610216774 928214504 /nfs/dbraw/zinc/21/45/04/928214504.db2.gz RVCLGTYAICZVRF-RZFNWQHOSA-N 1 1 364.489 3.618 20 30 FHEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471164117 928372687 /nfs/dbraw/zinc/37/26/87/928372687.db2.gz BZLCKGYWNFTDGT-HXUWFJFHSA-N 1 1 373.460 3.709 20 30 FHEDMO C[C@H](c1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1)[NH+]1CCOCC1 ZINC000254951741 928485532 /nfs/dbraw/zinc/48/55/32/928485532.db2.gz IYTKKYVKBXRLOX-SDMNGIDPSA-N 1 1 361.445 3.603 20 30 FHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000125012362 937276535 /nfs/dbraw/zinc/27/65/35/937276535.db2.gz VQOYKWNMXIBWNE-JZXOWHBKSA-N 1 1 372.538 3.886 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000246211566 929319160 /nfs/dbraw/zinc/31/91/60/929319160.db2.gz YAKUJHMVENKGPO-HZPDHXFCSA-N 1 1 358.461 3.816 20 30 FHEDMO CC(C)[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000109404641 929329837 /nfs/dbraw/zinc/32/98/37/929329837.db2.gz MWQFZVANGLMGAW-INIZCTEOSA-N 1 1 353.441 3.785 20 30 FHEDMO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c(OC)c1 ZINC000178849854 937324916 /nfs/dbraw/zinc/32/49/16/937324916.db2.gz LYDGCKNIEGLQLW-HXUWFJFHSA-N 1 1 357.425 3.842 20 30 FHEDMO C=CCc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c(OC)c1 ZINC000178849854 937324917 /nfs/dbraw/zinc/32/49/17/937324917.db2.gz LYDGCKNIEGLQLW-HXUWFJFHSA-N 1 1 357.425 3.842 20 30 FHEDMO C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)c1cccc(C#N)c1 ZINC000610345188 930044715 /nfs/dbraw/zinc/04/47/15/930044715.db2.gz XYBYYCHTPAQIRX-LLVKDONJSA-N 1 1 359.223 3.900 20 30 FHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](c2ccco2)C1 ZINC000610372175 930177400 /nfs/dbraw/zinc/17/74/00/930177400.db2.gz HLTQLNMXBXHYBV-IMFGXOCKSA-N 1 1 354.450 3.559 20 30 FHEDMO COc1ccc(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)cc1OCCCC#N ZINC000610395474 930342868 /nfs/dbraw/zinc/34/28/68/930342868.db2.gz LMUXZCBJWPFRCC-UHFFFAOYSA-N 1 1 364.449 3.852 20 30 FHEDMO COc1ccc(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)cc1OCCCC#N ZINC000610395474 930342872 /nfs/dbraw/zinc/34/28/72/930342872.db2.gz LMUXZCBJWPFRCC-UHFFFAOYSA-N 1 1 364.449 3.852 20 30 FHEDMO C[N@@H+](Cc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160421700 930367913 /nfs/dbraw/zinc/36/79/13/930367913.db2.gz LFTAVYHLZDBAQX-DFNIBXOVSA-N 1 1 355.482 3.921 20 30 FHEDMO C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1cccc(C#N)c1 ZINC000610400197 930367968 /nfs/dbraw/zinc/36/79/68/930367968.db2.gz UCWDQCUDRCTENF-IFXJQAMLSA-N 1 1 370.884 3.875 20 30 FHEDMO C[C@H](c1nc2ccccc2s1)N1CC[NH+](CCCSCC#N)CC1 ZINC000610409518 930438239 /nfs/dbraw/zinc/43/82/39/930438239.db2.gz CYRPDNAECJECRA-OAHLLOKOSA-N 1 1 360.552 3.622 20 30 FHEDMO CCc1oc2ccccc2c1C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000611767206 937417096 /nfs/dbraw/zinc/41/70/96/937417096.db2.gz FFNMDQWBGHAWJR-QVKFZJNVSA-N 1 1 355.482 3.870 20 30 FHEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)cc1 ZINC000125463772 930638607 /nfs/dbraw/zinc/63/86/07/930638607.db2.gz BMCWPLVWTWOZKF-FQEVSTJZSA-N 1 1 352.482 3.603 20 30 FHEDMO COc1cc2nc(C)sc2cc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328747255 930887530 /nfs/dbraw/zinc/88/75/30/930887530.db2.gz LOWFZVWDNSGKFA-DOMZBBRYSA-N 1 1 360.483 3.566 20 30 FHEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001125461509 930981121 /nfs/dbraw/zinc/98/11/21/930981121.db2.gz SPLQAOFLLDXSKA-GOSISDBHSA-N 1 1 350.422 3.557 20 30 FHEDMO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000580760517 931118288 /nfs/dbraw/zinc/11/82/88/931118288.db2.gz CUYLHZNKOYPDOG-VQROGVPDSA-N 1 1 373.500 3.831 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(C#N)cs1 ZINC000084083432 931303108 /nfs/dbraw/zinc/30/31/08/931303108.db2.gz GWSIRTSFDZXMSY-OAHLLOKOSA-N 1 1 353.491 3.924 20 30 FHEDMO COc1cc(Br)c(C[NH+]2CCC(CCC#N)CC2)cc1O ZINC000580893411 931306601 /nfs/dbraw/zinc/30/66/01/931306601.db2.gz RLOSFCOMWFLQEI-UHFFFAOYSA-N 1 1 353.260 3.679 20 30 FHEDMO N#Cc1cnccc1NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000548152745 931475709 /nfs/dbraw/zinc/47/57/09/931475709.db2.gz QTECIYXLJGWFNK-UHFFFAOYSA-N 1 1 361.276 3.758 20 30 FHEDMO CC[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000177899936 931523750 /nfs/dbraw/zinc/52/37/50/931523750.db2.gz HZFBJLIXVQEFFU-ZDUSSCGKSA-N 1 1 371.510 3.729 20 30 FHEDMO CC[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000177899936 931523757 /nfs/dbraw/zinc/52/37/57/931523757.db2.gz HZFBJLIXVQEFFU-ZDUSSCGKSA-N 1 1 371.510 3.729 20 30 FHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000156975039 931752483 /nfs/dbraw/zinc/75/24/83/931752483.db2.gz LXFQZNNZUAHFIT-FCHUYYIVSA-N 1 1 374.488 3.567 20 30 FHEDMO COc1ccc(C[NH2+]Cc2cn3c(cccc3C)n2)cc1OCCCC#N ZINC000069024060 931912964 /nfs/dbraw/zinc/91/29/64/931912964.db2.gz RRQBJKYTOKHMKY-UHFFFAOYSA-N 1 1 364.449 3.624 20 30 FHEDMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000160883023 931961813 /nfs/dbraw/zinc/96/18/13/931961813.db2.gz AXVLZIRPCXIUHH-OAHLLOKOSA-N 1 1 369.490 3.770 20 30 FHEDMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000160883023 931961822 /nfs/dbraw/zinc/96/18/22/931961822.db2.gz AXVLZIRPCXIUHH-OAHLLOKOSA-N 1 1 369.490 3.770 20 30 FHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000160890361 931969387 /nfs/dbraw/zinc/96/93/87/931969387.db2.gz RBPKPPCGZDHEHP-UHFFFAOYSA-N 1 1 352.478 3.720 20 30 FHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1C ZINC000510418335 931985712 /nfs/dbraw/zinc/98/57/12/931985712.db2.gz VPQVWQOCPJCXGO-LJQANCHMSA-N 1 1 362.477 3.770 20 30 FHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1C ZINC000510418335 931985716 /nfs/dbraw/zinc/98/57/16/931985716.db2.gz VPQVWQOCPJCXGO-LJQANCHMSA-N 1 1 362.477 3.770 20 30 FHEDMO C[N@@H+](Cc1ccc(I)cc1)Cc1cccc(C#N)c1 ZINC000088174625 932233012 /nfs/dbraw/zinc/23/30/12/932233012.db2.gz XEEWFAHVTQZGBG-UHFFFAOYSA-N 1 1 362.214 3.795 20 30 FHEDMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C(C)C ZINC000581590301 932284352 /nfs/dbraw/zinc/28/43/52/932284352.db2.gz COJIWFJNXALMLX-KRWDZBQOSA-N 1 1 366.513 3.566 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000477159223 932360819 /nfs/dbraw/zinc/36/08/19/932360819.db2.gz DBLGNUZKZZVWRK-KRWDZBQOSA-N 1 1 352.526 3.923 20 30 FHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000477269840 932429446 /nfs/dbraw/zinc/42/94/46/932429446.db2.gz BSLVEGMMPUSAQE-PZJWPPBQSA-N 1 1 355.526 3.914 20 30 FHEDMO CC1(C)CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H]1c1ccccc1 ZINC000933513146 932753383 /nfs/dbraw/zinc/75/33/83/932753383.db2.gz NXKHLGCWFYLTPC-VQTJNVASSA-N 1 1 356.510 3.573 20 30 FHEDMO CON=Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000255373537 932864218 /nfs/dbraw/zinc/86/42/18/932864218.db2.gz KQLCGJISPUPAGC-PKOBYXMFSA-N 1 1 371.506 3.541 20 30 FHEDMO CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000610556505 932957334 /nfs/dbraw/zinc/95/73/34/932957334.db2.gz JNDIWVAFVFGDIO-QGZVFWFLSA-N 1 1 364.445 3.739 20 30 FHEDMO C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000581971654 933142130 /nfs/dbraw/zinc/14/21/30/933142130.db2.gz FPYJEZNQDWIRQC-UHFFFAOYSA-N 1 1 361.493 3.816 20 30 FHEDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000510680658 933405287 /nfs/dbraw/zinc/40/52/87/933405287.db2.gz LBGILEXVMSEIDB-INIZCTEOSA-N 1 1 364.449 3.814 20 30 FHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000610669282 933695463 /nfs/dbraw/zinc/69/54/63/933695463.db2.gz IKPYJJTUDOHVSX-OAHLLOKOSA-N 1 1 369.415 3.573 20 30 FHEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000471927180 933834661 /nfs/dbraw/zinc/83/46/61/933834661.db2.gz ADJCPGXNMZEEGK-MSOLQXFVSA-N 1 1 354.841 3.779 20 30 FHEDMO C=CCc1cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc(OC)c1O ZINC000092436569 934053525 /nfs/dbraw/zinc/05/35/25/934053525.db2.gz KEHYAAGRHKMKHO-IBGZPJMESA-N 1 1 357.450 3.904 20 30 FHEDMO C=CCc1cc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc(OC)c1O ZINC000092436569 934053528 /nfs/dbraw/zinc/05/35/28/934053528.db2.gz KEHYAAGRHKMKHO-IBGZPJMESA-N 1 1 357.450 3.904 20 30 FHEDMO C=CCn1c(=S)n(C[NH+]2C[C@@H]3CCCC[C@H]3C2)nc1-c1cccnc1 ZINC000176191780 934212033 /nfs/dbraw/zinc/21/20/33/934212033.db2.gz UTIUKXZYYHQJFB-IRXDYDNUSA-N 1 1 355.511 3.742 20 30 FHEDMO Cc1cc(OC[C@H](O)C[NH+]2CCC(F)(C#N)CC2)c(C(C)C)cc1Cl ZINC000510963918 934233918 /nfs/dbraw/zinc/23/39/18/934233918.db2.gz BOGVIRNFPSJJFN-OAHLLOKOSA-N 1 1 368.880 3.839 20 30 FHEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(-c2ccccc2)n1 ZINC000535809010 934416953 /nfs/dbraw/zinc/41/69/53/934416953.db2.gz BNROSDPBSGIVEJ-UXHICEINSA-N 1 1 364.493 3.712 20 30 FHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000610877723 934546496 /nfs/dbraw/zinc/54/64/96/934546496.db2.gz VQQSHOZXSDTBPA-KRWDZBQOSA-N 1 1 368.868 3.950 20 30 FHEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458299139 934611897 /nfs/dbraw/zinc/61/18/97/934611897.db2.gz AWDXXOMXWPTEOM-QUCCMNQESA-N 1 1 356.514 3.841 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCc2ccncc2)c1 ZINC000181476643 934707501 /nfs/dbraw/zinc/70/75/01/934707501.db2.gz FYHZWSQABGHBQD-IBGZPJMESA-N 1 1 364.493 3.508 20 30 FHEDMO COc1ccc(OC)c(C[N@H+](Cc2ccc(OC)c(C#N)c2)C2CC2)c1 ZINC000610991224 934720298 /nfs/dbraw/zinc/72/02/98/934720298.db2.gz FNYAFLXVSWJHSH-UHFFFAOYSA-N 1 1 352.434 3.749 20 30 FHEDMO COc1ccc(OC)c(C[N@@H+](Cc2ccc(OC)c(C#N)c2)C2CC2)c1 ZINC000610991224 934720302 /nfs/dbraw/zinc/72/03/02/934720302.db2.gz FNYAFLXVSWJHSH-UHFFFAOYSA-N 1 1 352.434 3.749 20 30 FHEDMO COc1cc(OC)c(OC)cc1C[N@H+](Cc1ccnc(C#N)c1)C(C)(C)C ZINC000610994128 934739513 /nfs/dbraw/zinc/73/95/13/934739513.db2.gz NTIXXDNRZYLRTE-UHFFFAOYSA-N 1 1 369.465 3.780 20 30 FHEDMO COc1cc(OC)c(OC)cc1C[N@@H+](Cc1ccnc(C#N)c1)C(C)(C)C ZINC000610994128 934739518 /nfs/dbraw/zinc/73/95/18/934739518.db2.gz NTIXXDNRZYLRTE-UHFFFAOYSA-N 1 1 369.465 3.780 20 30 FHEDMO C=CCOc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000181551474 934740556 /nfs/dbraw/zinc/74/05/56/934740556.db2.gz RCTLLIQUATXPHF-AEFFLSMTSA-N 1 1 372.509 3.643 20 30 FHEDMO C=C(C)[C@@H](CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)OCC ZINC000535914632 934785755 /nfs/dbraw/zinc/78/57/55/934785755.db2.gz MIKMUVLUEPLNAU-YLJYHZDGSA-N 1 1 360.498 3.717 20 30 FHEDMO COc1ccc(CNc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000119479359 934828893 /nfs/dbraw/zinc/82/88/93/934828893.db2.gz VCHDOTCVJKYWGV-CALCHBBNSA-N 1 1 365.477 3.788 20 30 FHEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000320386449 934853255 /nfs/dbraw/zinc/85/32/55/934853255.db2.gz SNIGPWUZOYKDPH-RCCFBDPRSA-N 1 1 363.299 3.836 20 30 FHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000320386449 934853257 /nfs/dbraw/zinc/85/32/57/934853257.db2.gz SNIGPWUZOYKDPH-RCCFBDPRSA-N 1 1 363.299 3.836 20 30 FHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC(C#N)CC2)c1 ZINC000105005104 935057223 /nfs/dbraw/zinc/05/72/23/935057223.db2.gz XVHKOSAPOZPHPA-UHFFFAOYSA-N 1 1 351.454 3.822 20 30 FHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC001167516539 935103409 /nfs/dbraw/zinc/10/34/09/935103409.db2.gz GCRTVUUJSZWQIK-SFTDATJTSA-N 1 1 352.478 3.560 20 30 FHEDMO CC(C)[C@H](CC[N@@H+](C)CCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC001167526023 935121223 /nfs/dbraw/zinc/12/12/23/935121223.db2.gz MUVHDYNVBMTIHX-IBGZPJMESA-N 1 1 359.514 3.972 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)nc1 ZINC000582039288 935158751 /nfs/dbraw/zinc/15/87/51/935158751.db2.gz IBELDTUJTXVQGD-QGZVFWFLSA-N 1 1 362.458 3.730 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)nc1 ZINC000582039288 935158753 /nfs/dbraw/zinc/15/87/53/935158753.db2.gz IBELDTUJTXVQGD-QGZVFWFLSA-N 1 1 362.458 3.730 20 30 FHEDMO C=CC[C@H](C)NC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000438842447 945088980 /nfs/dbraw/zinc/08/89/80/945088980.db2.gz RPUJQZYFOISCDM-XKGZKEIXSA-N 1 1 358.530 3.597 20 30 FHEDMO C=CC[C@H](C)NC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000438842447 945088989 /nfs/dbraw/zinc/08/89/89/945088989.db2.gz RPUJQZYFOISCDM-XKGZKEIXSA-N 1 1 358.530 3.597 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2sc3ccc(C#N)cc3c2C)[C@H](C)C1 ZINC000551404772 935269611 /nfs/dbraw/zinc/26/96/11/935269611.db2.gz WLWKSGCIHIGCBG-CXAGYDPISA-N 1 1 355.507 3.884 20 30 FHEDMO C=CC[C@H](C)NC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000438842444 945089221 /nfs/dbraw/zinc/08/92/21/945089221.db2.gz RPUJQZYFOISCDM-QRFRQXIXSA-N 1 1 358.530 3.597 20 30 FHEDMO C=CC[C@H](C)NC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000438842444 945089227 /nfs/dbraw/zinc/08/92/27/945089227.db2.gz 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C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000187731712 935496365 /nfs/dbraw/zinc/49/63/65/935496365.db2.gz FNJAROSRMXTTFV-INIZCTEOSA-N 1 1 351.425 3.606 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000187731712 935496368 /nfs/dbraw/zinc/49/63/68/935496368.db2.gz FNJAROSRMXTTFV-INIZCTEOSA-N 1 1 351.425 3.606 20 30 FHEDMO Cn1ncc(C(F)(F)F)c1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000657387987 935498195 /nfs/dbraw/zinc/49/81/95/935498195.db2.gz ZJTSKBCAHLVUFS-UHFFFAOYSA-N 1 1 361.289 3.599 20 30 FHEDMO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC001167562657 935513808 /nfs/dbraw/zinc/51/38/08/935513808.db2.gz OFBWBYMFWZSIMB-NRFANRHFSA-N 1 1 366.892 3.976 20 30 FHEDMO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC001167562657 935513811 /nfs/dbraw/zinc/51/38/11/935513811.db2.gz OFBWBYMFWZSIMB-NRFANRHFSA-N 1 1 366.892 3.976 20 30 FHEDMO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000506394862 945106902 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/nfs/dbraw/zinc/56/84/58/941568458.db2.gz IQPVTSZBWVYUSR-JOCHJYFZSA-N 1 1 363.505 3.827 20 30 FHEDMO Cc1[nH+]ccn1CCCCn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21 ZINC000549198907 941629263 /nfs/dbraw/zinc/62/92/63/941629263.db2.gz BWZIMMHIFJLRFO-UHFFFAOYSA-N 1 1 354.841 3.820 20 30 FHEDMO CN(C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000178316621 941638345 /nfs/dbraw/zinc/63/83/45/941638345.db2.gz QDUBHBWXQOBLDU-GOSISDBHSA-N 1 1 373.497 3.516 20 30 FHEDMO CCc1ccc([C@@H](C#N)NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000377421650 941709573 /nfs/dbraw/zinc/70/95/73/941709573.db2.gz UYXGMAFSGBRZPX-HXUWFJFHSA-N 1 1 362.477 3.550 20 30 FHEDMO C=CCC[C@@H](O)C[N@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000472766779 941717735 /nfs/dbraw/zinc/71/77/35/941717735.db2.gz FRRONUKSOGFESJ-CQSZACIVSA-N 1 1 359.297 3.971 20 30 FHEDMO C=C(C)Cn1c(CC)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000549248184 941736644 /nfs/dbraw/zinc/73/66/44/941736644.db2.gz LAORDFICPWZXHG-GOSISDBHSA-N 1 1 359.562 3.898 20 30 FHEDMO C=CCC[N@H+](C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000467282884 941763772 /nfs/dbraw/zinc/76/37/72/941763772.db2.gz DWOIIRYLPVNEOD-UHFFFAOYSA-N 1 1 372.490 3.560 20 30 FHEDMO C=C(C)Cn1c(C)nnc1N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000549262292 941787085 /nfs/dbraw/zinc/78/70/85/941787085.db2.gz LEXUJSKRTXQQHF-OAHLLOKOSA-N 1 1 359.905 3.699 20 30 FHEDMO CC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541155132 941804240 /nfs/dbraw/zinc/80/42/40/941804240.db2.gz AACRXFXKQMLJNQ-KRWDZBQOSA-N 1 1 362.477 3.633 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(C#N)ccc1Cl ZINC000513286234 941829102 /nfs/dbraw/zinc/82/91/02/941829102.db2.gz JOFKFTLZFJQOMX-MRXNPFEDSA-N 1 1 367.880 3.948 20 30 FHEDMO COc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1Cl ZINC000513335698 941859516 /nfs/dbraw/zinc/85/95/16/941859516.db2.gz JGAGARONXZUCHA-UHFFFAOYSA-N 1 1 355.869 3.933 20 30 FHEDMO Cc1cc2ncn(C[N@H+]3CCCN(c4ccccc4C#N)CC3)c2cc1C ZINC000728710146 941936792 /nfs/dbraw/zinc/93/67/92/941936792.db2.gz QURBVUUROKJPRP-UHFFFAOYSA-N 1 1 359.477 3.695 20 30 FHEDMO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCc4[nH]cnc4C3)c2)c1 ZINC000377790567 941991984 /nfs/dbraw/zinc/99/19/84/941991984.db2.gz WWRRCKKDYNIBDS-LJQANCHMSA-N 1 1 358.445 3.507 20 30 FHEDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)CSc1ccc(C#N)cc1 ZINC000377796307 941998778 /nfs/dbraw/zinc/99/87/78/941998778.db2.gz RMBDSVXKVLOUGM-KRWDZBQOSA-N 1 1 368.506 3.661 20 30 FHEDMO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1noc(-c2ccccc2)n1 ZINC000513660676 942070080 /nfs/dbraw/zinc/07/00/80/942070080.db2.gz JORVAPSDGBAOJQ-MRXNPFEDSA-N 1 1 373.460 3.928 20 30 FHEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000181908979 942184999 /nfs/dbraw/zinc/18/49/99/942184999.db2.gz RJXFIWNLVWXVFD-QGZVFWFLSA-N 1 1 363.461 3.764 20 30 FHEDMO C=CCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000661571456 942193510 /nfs/dbraw/zinc/19/35/10/942193510.db2.gz WAJDMCHXSKONHB-UHFFFAOYSA-N 1 1 356.297 3.833 20 30 FHEDMO CCCC[N@@H+](C)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513699491 942213366 /nfs/dbraw/zinc/21/33/66/942213366.db2.gz OBAGDOBDSJOPKL-UHFFFAOYSA-N 1 1 365.477 3.599 20 30 FHEDMO COCCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000419398410 942245688 /nfs/dbraw/zinc/24/56/88/942245688.db2.gz ZSSZGKZRCGVJHM-UHFFFAOYSA-N 1 1 363.527 3.576 20 30 FHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(CN2CCOCC2)cc1 ZINC000420901691 942245650 /nfs/dbraw/zinc/24/56/50/942245650.db2.gz KRNZWOBFJFMRIU-UHFFFAOYSA-N 1 1 363.505 3.803 20 30 FHEDMO C[C@@]1(CNc2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000312013042 942258473 /nfs/dbraw/zinc/25/84/73/942258473.db2.gz SHJIKHWQNTYKKI-FQEVSTJZSA-N 1 1 350.422 3.791 20 30 FHEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000421098957 942342062 /nfs/dbraw/zinc/34/20/62/942342062.db2.gz ZROZHHLJCXSKBF-SFHVURJKSA-N 1 1 364.449 3.908 20 30 FHEDMO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCSCC#N ZINC000378181607 942359065 /nfs/dbraw/zinc/35/90/65/942359065.db2.gz CYIMTYNAHGSCQH-MQVJKMGUSA-N 1 1 353.532 3.543 20 30 FHEDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000501265693 942369827 /nfs/dbraw/zinc/36/98/27/942369827.db2.gz HJWRGBHVCVGGCF-LJQANCHMSA-N 1 1 352.434 3.921 20 30 FHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000501265693 942369831 /nfs/dbraw/zinc/36/98/31/942369831.db2.gz HJWRGBHVCVGGCF-LJQANCHMSA-N 1 1 352.434 3.921 20 30 FHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000502442087 942455152 /nfs/dbraw/zinc/45/51/52/942455152.db2.gz OMFCIUSSDBCUMF-CQSZACIVSA-N 1 1 366.412 3.546 20 30 FHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549408583 942495007 /nfs/dbraw/zinc/49/50/07/942495007.db2.gz HRYLRFGKXFXNJN-FQEVSTJZSA-N 1 1 355.388 3.597 20 30 FHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549408583 942495011 /nfs/dbraw/zinc/49/50/11/942495011.db2.gz HRYLRFGKXFXNJN-FQEVSTJZSA-N 1 1 355.388 3.597 20 30 FHEDMO Cn1c(C[NH2+]Cc2ccc(C#N)s2)nc2cc(C(F)(F)F)ccc21 ZINC000421350783 942502207 /nfs/dbraw/zinc/50/22/07/942502207.db2.gz LHOHAYRLFDQXON-UHFFFAOYSA-N 1 1 350.369 3.815 20 30 FHEDMO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502532376 942505168 /nfs/dbraw/zinc/50/51/68/942505168.db2.gz ZSARTFFAFLIVEN-IBGZPJMESA-N 1 1 373.500 3.703 20 30 FHEDMO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502532376 942505174 /nfs/dbraw/zinc/50/51/74/942505174.db2.gz ZSARTFFAFLIVEN-IBGZPJMESA-N 1 1 373.500 3.703 20 30 FHEDMO N#Cc1csc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000378299754 942549812 /nfs/dbraw/zinc/54/98/12/942549812.db2.gz RILJHWMPFLJTHG-UHFFFAOYSA-N 1 1 365.502 3.748 20 30 FHEDMO CC(C)(C)[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000120222922 942573965 /nfs/dbraw/zinc/57/39/65/942573965.db2.gz KFORZBYFDMIFMZ-HXUWFJFHSA-N 1 1 352.478 3.793 20 30 FHEDMO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1 ZINC000016444916 942632747 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N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000378425160 942750139 /nfs/dbraw/zinc/75/01/39/942750139.db2.gz SRMUKWGAOREJQB-LEWJYISDSA-N 1 1 374.488 3.651 20 30 FHEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000378425178 942750266 /nfs/dbraw/zinc/75/02/66/942750266.db2.gz SRMUKWGAOREJQB-RTWAWAEBSA-N 1 1 374.488 3.651 20 30 FHEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000330201957 942790161 /nfs/dbraw/zinc/79/01/61/942790161.db2.gz YQBKEWCKIDCUHD-JYJNAYRXSA-N 1 1 372.435 3.939 20 30 FHEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000502907588 942832304 /nfs/dbraw/zinc/83/23/04/942832304.db2.gz OYQVGHUIOSCCDD-OAQYLSRUSA-N 1 1 351.425 3.766 20 30 FHEDMO N#Cc1cccc(NC(=O)CC[N@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000434662638 942846514 /nfs/dbraw/zinc/84/65/14/942846514.db2.gz MWJGEWUHMGWIRF-UHFFFAOYSA-N 1 1 355.388 3.830 20 30 FHEDMO N#Cc1ccc(C[NH2+][C@H](CCO)c2ccccc2Br)s1 ZINC000514245712 942860008 /nfs/dbraw/zinc/86/00/08/942860008.db2.gz BOYWGAFIWMBOSP-OAHLLOKOSA-N 1 1 351.269 3.596 20 30 FHEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466927077 942863349 /nfs/dbraw/zinc/86/33/49/942863349.db2.gz OJVFPLKSXXHBPJ-SJORKVTESA-N 1 1 369.534 3.916 20 30 FHEDMO CCc1ccc([C@H]2CN(C(=O)C[C@@H](CC#N)c3ccccc3)CC[NH2+]2)cc1 ZINC000505508449 942949313 /nfs/dbraw/zinc/94/93/13/942949313.db2.gz VXRCTSJPUMJJKI-FGZHOGPDSA-N 1 1 361.489 3.809 20 30 FHEDMO C=CCN1C(=O)c2ccccc2N[C@@H]1c1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000378645027 942992332 /nfs/dbraw/zinc/99/23/32/942992332.db2.gz ZJJSNPWCJZXRDP-SFHVURJKSA-N 1 1 368.506 3.662 20 30 FHEDMO CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505558107 943027607 /nfs/dbraw/zinc/02/76/07/943027607.db2.gz OZRJAUOGLKZXLG-SFTDATJTSA-N 1 1 368.525 3.744 20 30 FHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000434902160 943038826 /nfs/dbraw/zinc/03/88/26/943038826.db2.gz AXYLUFCCVVRVOZ-HSZRJFAPSA-N 1 1 361.489 3.519 20 30 FHEDMO N#Cc1c2c(cnc1N1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)CCC2 ZINC000425250167 943061046 /nfs/dbraw/zinc/06/10/46/943061046.db2.gz VPQMWLPNDIKPLJ-UHFFFAOYSA-N 1 1 372.516 3.934 20 30 FHEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000514529471 943086687 /nfs/dbraw/zinc/08/66/87/943086687.db2.gz FABIBDPVOQMECK-QUCCMNQESA-N 1 1 356.853 3.788 20 30 FHEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000514529470 943086997 /nfs/dbraw/zinc/08/69/97/943086997.db2.gz FABIBDPVOQMECK-ICSRJNTNSA-N 1 1 356.853 3.788 20 30 FHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435020156 943100696 /nfs/dbraw/zinc/10/06/96/943100696.db2.gz NQFMLDGUZKPQCA-ICSRJNTNSA-N 1 1 365.521 3.703 20 30 FHEDMO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1=O ZINC000435048934 943120043 /nfs/dbraw/zinc/12/00/43/943120043.db2.gz KXOMXFFDXIRKJE-NVXWUHKLSA-N 1 1 371.893 3.868 20 30 FHEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1=O ZINC000435048934 943120048 /nfs/dbraw/zinc/12/00/48/943120048.db2.gz KXOMXFFDXIRKJE-NVXWUHKLSA-N 1 1 371.893 3.868 20 30 FHEDMO C[C@]1(c2ccccc2)CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435063430 943136459 /nfs/dbraw/zinc/13/64/59/943136459.db2.gz JSSSTPUSSOLESA-RXVVDRJESA-N 1 1 365.502 3.779 20 30 FHEDMO C[C@]1(c2ccccc2)CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435063430 943136465 /nfs/dbraw/zinc/13/64/65/943136465.db2.gz JSSSTPUSSOLESA-RXVVDRJESA-N 1 1 365.502 3.779 20 30 FHEDMO COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272499279 943166455 /nfs/dbraw/zinc/16/64/55/943166455.db2.gz DHPNAZUDZOSEBC-HXUWFJFHSA-N 1 1 369.509 3.765 20 30 FHEDMO C=CCC[C@@H](NC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)c1ccccc1 ZINC000435105059 943167574 /nfs/dbraw/zinc/16/75/74/943167574.db2.gz UERRJTQOJVYCEE-HXUWFJFHSA-N 1 1 364.493 3.929 20 30 FHEDMO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CCCCO1 ZINC000435138070 943190922 /nfs/dbraw/zinc/19/09/22/943190922.db2.gz PUIZRRZRHJFSHD-FQEVSTJZSA-N 1 1 367.497 3.640 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000435158352 943199829 /nfs/dbraw/zinc/19/98/29/943199829.db2.gz JTTMNHBQEWEFSY-BEFAXECRSA-N 1 1 366.440 3.729 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000435158353 943199959 /nfs/dbraw/zinc/19/99/59/943199959.db2.gz JTTMNHBQEWEFSY-DNVCBOLYSA-N 1 1 366.440 3.729 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]3OCc3ccccc3)o2)c1 ZINC000503516959 943228738 /nfs/dbraw/zinc/22/87/38/943228738.db2.gz OBMGMJUZBJCAQA-WOJBJXKFSA-N 1 1 374.444 3.836 20 30 FHEDMO N#Cc1ccc(-c2nnc(C[NH2+][C@H]3CCC[C@@H]3OCc3ccccc3)o2)cc1 ZINC000503523685 943233591 /nfs/dbraw/zinc/23/35/91/943233591.db2.gz QZAALZVDFZFLIB-PMACEKPBSA-N 1 1 374.444 3.836 20 30 FHEDMO N#Cc1ccc(CNC(=O)C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)cc1 ZINC000503582049 943264007 /nfs/dbraw/zinc/26/40/07/943264007.db2.gz VAEGBHWBAUEXDL-QFIPXVFZSA-N 1 1 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351.635 3.598 20 30 FHEDMO COC(=O)c1cc(C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)oc1C ZINC000584812576 943675619 /nfs/dbraw/zinc/67/56/19/943675619.db2.gz RFKCOCJZGTUFCO-UHFFFAOYSA-N 1 1 366.339 3.897 20 30 FHEDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)oc1C ZINC000584812576 943675626 /nfs/dbraw/zinc/67/56/26/943675626.db2.gz RFKCOCJZGTUFCO-UHFFFAOYSA-N 1 1 366.339 3.897 20 30 FHEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)c(OC)c2)CC2CC2)c(OC)c1 ZINC000504588500 943699605 /nfs/dbraw/zinc/69/96/05/943699605.db2.gz CQDQZUOVSMZURP-UHFFFAOYSA-N 1 1 366.461 3.996 20 30 FHEDMO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@H+]1CCCC[C@H]1C ZINC000435784539 943769697 /nfs/dbraw/zinc/76/96/97/943769697.db2.gz FRQUSGHZXPRUPP-MSOLQXFVSA-N 1 1 366.509 3.938 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000515392120 943836177 /nfs/dbraw/zinc/83/61/77/943836177.db2.gz MSHWPVKWLCVLQJ-UHFFFAOYSA-N 1 1 358.401 3.670 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425425161 943875031 /nfs/dbraw/zinc/87/50/31/943875031.db2.gz OIMYIGVGZDUBGF-FGTMMUONSA-N 1 1 356.514 3.629 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000425424821 943886576 /nfs/dbraw/zinc/88/65/76/943886576.db2.gz NVEQKRURDIAAJU-MSOLQXFVSA-N 1 1 356.514 3.915 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425429216 943890078 /nfs/dbraw/zinc/89/00/78/943890078.db2.gz ZIPXLQPFESNSJP-LSTHTHJFSA-N 1 1 354.498 3.552 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1C ZINC000437534737 943896872 /nfs/dbraw/zinc/89/68/72/943896872.db2.gz IYYDVRHZDAPNFN-VQTJNVASSA-N 1 1 371.550 3.910 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1C ZINC000437534737 943896878 /nfs/dbraw/zinc/89/68/78/943896878.db2.gz IYYDVRHZDAPNFN-VQTJNVASSA-N 1 1 371.550 3.910 20 30 FHEDMO C[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000504921395 943899867 /nfs/dbraw/zinc/89/98/67/943899867.db2.gz 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FHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c(C#N)c1C ZINC000436126095 944038781 /nfs/dbraw/zinc/03/87/81/944038781.db2.gz JCZGXOJIRKAOEP-GOSISDBHSA-N 1 1 351.450 3.661 20 30 FHEDMO C=CCC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000424664488 944041749 /nfs/dbraw/zinc/04/17/49/944041749.db2.gz LYBTYDRPECXJCS-SEJPIABJSA-N 1 1 368.521 3.671 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000436135010 944047544 /nfs/dbraw/zinc/04/75/44/944047544.db2.gz FAQSNWDKZZGYMD-IYBDPMFKSA-N 1 1 365.477 3.868 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000436142179 944052212 /nfs/dbraw/zinc/05/22/12/944052212.db2.gz PUJZWGYCLCGHEM-OAHLLOKOSA-N 1 1 351.450 3.764 20 30 FHEDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H]1c1ccc(F)cc1F ZINC000425515529 944196927 /nfs/dbraw/zinc/19/69/27/944196927.db2.gz XIVREPJJOHVLOB-FASAQXTFSA-N 1 1 370.399 3.786 20 30 FHEDMO C=CCOc1c(Br)cc(C[NH2+]CC2(C#N)CCC2)cc1OC ZINC000418145350 944207344 /nfs/dbraw/zinc/20/73/44/944207344.db2.gz XOTBNYIHVQQKHV-UHFFFAOYSA-N 1 1 365.271 3.806 20 30 FHEDMO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425530698 944250998 /nfs/dbraw/zinc/25/09/98/944250998.db2.gz GAJZKJAMOFNSKO-GJZGRUSLSA-N 1 1 371.431 3.577 20 30 FHEDMO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425530698 944251005 /nfs/dbraw/zinc/25/10/05/944251005.db2.gz GAJZKJAMOFNSKO-GJZGRUSLSA-N 1 1 371.431 3.577 20 30 FHEDMO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425529874 944263223 /nfs/dbraw/zinc/26/32/23/944263223.db2.gz CVLNOJVHTPFHCG-CQSZACIVSA-N 1 1 355.404 3.598 20 30 FHEDMO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425529874 944263233 /nfs/dbraw/zinc/26/32/33/944263233.db2.gz CVLNOJVHTPFHCG-CQSZACIVSA-N 1 1 355.404 3.598 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)COCc1ccccc1Cl ZINC000425529716 944263334 /nfs/dbraw/zinc/26/33/34/944263334.db2.gz CPCOJABRBLBROF-HNAYVOBHSA-N 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ZINC000895018971 946885041 /nfs/dbraw/zinc/88/50/41/946885041.db2.gz WBCWRFXIUKWFRQ-AWEZNQCLSA-N 1 1 367.453 3.888 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000895018971 946885047 /nfs/dbraw/zinc/88/50/47/946885047.db2.gz WBCWRFXIUKWFRQ-AWEZNQCLSA-N 1 1 367.453 3.888 20 30 FHEDMO N#CC1(NC(=O)C[NH+]2CCC(N3CCc4ccccc43)CC2)CCCCC1 ZINC000328657959 946968019 /nfs/dbraw/zinc/96/80/19/946968019.db2.gz QDCCJZCKUXHHJO-UHFFFAOYSA-N 1 1 366.509 3.696 20 30 FHEDMO C=CC[N@@H+](Cc1ccc2ccccc2n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000523021281 946976369 /nfs/dbraw/zinc/97/63/69/946976369.db2.gz ZSEIKJFJHSGWDS-KRWDZBQOSA-N 1 1 370.460 3.960 20 30 FHEDMO N#Cc1ccc(C2=CC[N@@H+](CCC(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000444610924 947036546 /nfs/dbraw/zinc/03/65/46/947036546.db2.gz PVNJUXXPTCXYJB-UHFFFAOYSA-N 1 1 371.484 3.622 20 30 FHEDMO C=CCCc1nc(-c2cc3c([nH]c2=O)CC[N@@H+](Cc2ccccc2)C3)no1 ZINC000897254336 947042223 /nfs/dbraw/zinc/04/22/23/947042223.db2.gz QUPMZRUICGRCJH-UHFFFAOYSA-N 1 1 362.433 3.514 20 30 FHEDMO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000444636501 947049075 /nfs/dbraw/zinc/04/90/75/947049075.db2.gz DMVTXRPUQXVBQW-IBGZPJMESA-N 1 1 371.525 3.627 20 30 FHEDMO CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c2ccccc21 ZINC000328798813 947050549 /nfs/dbraw/zinc/05/05/49/947050549.db2.gz GOVZVGUYERWZIK-ICSRJNTNSA-N 1 1 355.482 3.848 20 30 FHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000444619198 947052150 /nfs/dbraw/zinc/05/21/50/947052150.db2.gz JBKWUNSDCNYVOP-GOTSBHOMSA-N 1 1 373.500 3.733 20 30 FHEDMO O=C(N[C@@H]1CCCC12CCOCC2)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000328833864 947056799 /nfs/dbraw/zinc/05/67/99/947056799.db2.gz RWUVFIYUUIBNKU-WOJBJXKFSA-N 1 1 371.525 3.504 20 30 FHEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444653262 947074197 /nfs/dbraw/zinc/07/41/97/947074197.db2.gz VMPQMTOCSQYDJT-OAHLLOKOSA-N 1 1 361.452 3.829 20 30 FHEDMO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000328940992 947095272 /nfs/dbraw/zinc/09/52/72/947095272.db2.gz KXKRDDJDCSGRIZ-YQVWRLOYSA-N 1 1 362.518 3.763 20 30 FHEDMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCOCC12CCCC2 ZINC000328906143 947102181 /nfs/dbraw/zinc/10/21/81/947102181.db2.gz BFUPRHCVMISDRW-UHFFFAOYSA-N 1 1 352.862 3.972 20 30 FHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cnn(Cc2ccccc2Cl)c1 ZINC000328912221 947105913 /nfs/dbraw/zinc/10/59/13/947105913.db2.gz HBJPTKWPUDNIBP-MSOLQXFVSA-N 1 1 358.873 3.516 20 30 FHEDMO C[C@H](CNC(=O)Nc1scnc1C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000328923960 947109974 /nfs/dbraw/zinc/10/99/74/947109974.db2.gz NKOZAKPQNXTOAB-LLVKDONJSA-N 1 1 362.524 3.855 20 30 FHEDMO C[C@H](CNC(=O)Nc1scnc1C1CC1)[N@H+]1CCc2sccc2C1 ZINC000328923960 947109975 /nfs/dbraw/zinc/10/99/75/947109975.db2.gz NKOZAKPQNXTOAB-LLVKDONJSA-N 1 1 362.524 3.855 20 30 FHEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(-c2ccccc2)n1 ZINC000428377081 947196212 /nfs/dbraw/zinc/19/62/12/947196212.db2.gz WWBXZWOZYCCOGV-OAQYLSRUSA-N 1 1 364.493 3.855 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)C[C@H]1C ZINC000330501569 947203483 /nfs/dbraw/zinc/20/34/83/947203483.db2.gz UXLKYNHQAJYIEN-ZIAGYGMSSA-N 1 1 371.476 3.827 20 30 FHEDMO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000330698358 947237244 /nfs/dbraw/zinc/23/72/44/947237244.db2.gz DWLBYIMFPWRORI-KGLIPLIRSA-N 1 1 371.403 3.628 20 30 FHEDMO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000330698358 947237253 /nfs/dbraw/zinc/23/72/53/947237253.db2.gz DWLBYIMFPWRORI-KGLIPLIRSA-N 1 1 371.403 3.628 20 30 FHEDMO C=C(C)COCC[NH2+][C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000125667112 947256171 /nfs/dbraw/zinc/25/61/71/947256171.db2.gz LYGICLSQNHPJIU-FQEVSTJZSA-N 1 1 354.450 3.557 20 30 FHEDMO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000440578230 947287953 /nfs/dbraw/zinc/28/79/53/947287953.db2.gz WCCSVPAQAKLRGV-IRXDYDNUSA-N 1 1 361.486 3.622 20 30 FHEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000440578230 947287965 /nfs/dbraw/zinc/28/79/65/947287965.db2.gz WCCSVPAQAKLRGV-IRXDYDNUSA-N 1 1 361.486 3.622 20 30 FHEDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000440578227 947289296 /nfs/dbraw/zinc/28/92/96/947289296.db2.gz WCCSVPAQAKLRGV-IAGOWNOFSA-N 1 1 361.486 3.622 20 30 FHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000440578227 947289306 /nfs/dbraw/zinc/28/93/06/947289306.db2.gz WCCSVPAQAKLRGV-IAGOWNOFSA-N 1 1 361.486 3.622 20 30 FHEDMO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000331040793 947334383 /nfs/dbraw/zinc/33/43/83/947334383.db2.gz DEFGDFAHQUNOJT-CRAIPNDOSA-N 1 1 360.502 3.551 20 30 FHEDMO CCNC(=O)c1ccc(C)c(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000331105924 947347244 /nfs/dbraw/zinc/34/72/44/947347244.db2.gz GGLODOSSFPIBKU-DOTOQJQBSA-N 1 1 360.502 3.670 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)c(Cl)cc2OC)C[C@@H]1C ZINC000331145697 947357856 /nfs/dbraw/zinc/35/78/56/947357856.db2.gz SFHDPCOIJQKHAS-STQMWFEESA-N 1 1 369.893 3.707 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(NC(=O)C(C)C)c2)C[C@@H]1C ZINC000331128772 947363588 /nfs/dbraw/zinc/36/35/88/947363588.db2.gz OJGIEDGMXDLYPD-YJBOKZPZSA-N 1 1 360.502 3.631 20 30 FHEDMO N#CCCOCC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599525915 947368784 /nfs/dbraw/zinc/36/87/84/947368784.db2.gz BKYGMEGAPRWTOP-OAHLLOKOSA-N 1 1 355.301 3.546 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)ccc2OC(F)F)C[C@H]1C ZINC000331277748 947376372 /nfs/dbraw/zinc/37/63/72/947376372.db2.gz JNWCFHYJMRRIEY-OLZOCXBDSA-N 1 1 371.428 3.647 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(NC(C)=O)ccc2Cl)C[C@@H]1C ZINC000331311252 947384349 /nfs/dbraw/zinc/38/43/49/947384349.db2.gz ZJQPPIGIHWXNSL-WFASDCNBSA-N 1 1 366.893 3.649 20 30 FHEDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cccc(C#N)c2Br)C1 ZINC000331314378 947384943 /nfs/dbraw/zinc/38/49/43/947384943.db2.gz IMVJZKWXBYEMKZ-UHFFFAOYSA-N 1 1 364.287 3.747 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc1Cl ZINC000475619955 947426630 /nfs/dbraw/zinc/42/66/30/947426630.db2.gz RJDGJVRZOVLJET-APWZRJJASA-N 1 1 351.874 3.675 20 30 FHEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc1Cl ZINC000475619955 947426634 /nfs/dbraw/zinc/42/66/34/947426634.db2.gz RJDGJVRZOVLJET-APWZRJJASA-N 1 1 351.874 3.675 20 30 FHEDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1c(C#N)cnc2c(Br)cccc21 ZINC000440674756 947592012 /nfs/dbraw/zinc/59/20/12/947592012.db2.gz UBAYARDPJPSURT-ZDUSSCGKSA-N 1 1 373.298 3.647 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000500440426 947705050 /nfs/dbraw/zinc/70/50/50/947705050.db2.gz KAUCZOGZDCHBAQ-RTBURBONSA-N 1 1 373.500 3.711 20 30 FHEDMO CCC[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000459019946 947853621 /nfs/dbraw/zinc/85/36/21/947853621.db2.gz VSGIWWNSQYTQJS-SESVDKBCSA-N 1 1 368.525 3.765 20 30 FHEDMO CCC[C@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000459019945 947853782 /nfs/dbraw/zinc/85/37/82/947853782.db2.gz VSGIWWNSQYTQJS-JBACZVJFSA-N 1 1 368.525 3.765 20 30 FHEDMO CCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459023188 947895180 /nfs/dbraw/zinc/89/51/80/947895180.db2.gz YRXXFJJQQQRBBF-YXYSEUPNSA-N 1 1 368.525 3.936 20 30 FHEDMO C=CC[C@H]1CCCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662630817 947945763 /nfs/dbraw/zinc/94/57/63/947945763.db2.gz NVKOEPVQKCMFDG-JTQLQIEISA-N 1 1 355.301 3.542 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3nccc4ccc(F)cc43)CC2)cc1 ZINC000536225922 948081932 /nfs/dbraw/zinc/08/19/32/948081932.db2.gz NQONXSGAJRQQTA-UHFFFAOYSA-N 1 1 360.436 3.958 20 30 FHEDMO COCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)c1ccccc1 ZINC000441520341 948194127 /nfs/dbraw/zinc/19/41/27/948194127.db2.gz COVSOVPWJOWBQL-MRXNPFEDSA-N 1 1 362.433 3.818 20 30 FHEDMO COCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)c1ccccc1 ZINC000441520341 948194132 /nfs/dbraw/zinc/19/41/32/948194132.db2.gz COVSOVPWJOWBQL-MRXNPFEDSA-N 1 1 362.433 3.818 20 30 FHEDMO C[N@@H+](CCc1ccccc1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000520529293 948235125 /nfs/dbraw/zinc/23/51/25/948235125.db2.gz QKTKIQPZQIVICC-UHFFFAOYSA-N 1 1 355.869 3.761 20 30 FHEDMO C=CCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H](C)COC ZINC000663583855 948254601 /nfs/dbraw/zinc/25/46/01/948254601.db2.gz WXDLYRXHFKWXBH-RTBURBONSA-N 1 1 373.541 3.794 20 30 FHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cscc3C#N)cc2)C1 ZINC000432404324 948345712 /nfs/dbraw/zinc/34/57/12/948345712.db2.gz UTBPQLGNZLGCAG-OAHLLOKOSA-N 1 1 353.491 3.782 20 30 FHEDMO COc1cccc([C@@H]2[C@@H](NC(=O)C3(C#N)CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000183263739 948366608 /nfs/dbraw/zinc/36/66/08/948366608.db2.gz HSABSZRQGGILLD-VQTJNVASSA-N 1 1 367.493 3.563 20 30 FHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000759971664 948390879 /nfs/dbraw/zinc/39/08/79/948390879.db2.gz UMIQEYWLNYHUPI-UHFFFAOYSA-N 1 1 374.410 3.622 20 30 FHEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000182065094 948484532 /nfs/dbraw/zinc/48/45/32/948484532.db2.gz GMUCSAQYICWCIA-KRWDZBQOSA-N 1 1 363.461 3.764 20 30 FHEDMO C[N@H+]1CC[C@@H](CN[C@@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328655850 523961779 /nfs/dbraw/zinc/96/17/79/523961779.db2.gz YVFWMOKKZDMMEX-TYPHKJRUSA-N 1 1 364.493 3.524 20 30 FHEDMO CN1CC[C@@H](C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328655850 523961784 /nfs/dbraw/zinc/96/17/84/523961784.db2.gz YVFWMOKKZDMMEX-TYPHKJRUSA-N 1 1 364.493 3.524 20 30 FHEDMO C=CCC1(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCC1 ZINC000188533108 567879068 /nfs/dbraw/zinc/87/90/68/567879068.db2.gz AXNPJPDMVZJBGD-HDICACEKSA-N 1 1 356.510 3.658 20 30 FHEDMO C[N@H+]1CC[C@H](CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000602072820 567916308 /nfs/dbraw/zinc/91/63/08/567916308.db2.gz JVJVTLCEBXKLMN-GOSISDBHSA-N 1 1 363.461 3.612 20 30 FHEDMO C[C@H](CC1(C#N)CCOCC1)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000602497194 567983478 /nfs/dbraw/zinc/98/34/78/567983478.db2.gz ZTCIYZSDRHTKAH-MSOLQXFVSA-N 1 1 357.498 3.591 20 30 FHEDMO CC[NH+](CC)[C@@H](CN[C@@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602508511 567988943 /nfs/dbraw/zinc/98/89/43/567988943.db2.gz NBDYGHZOPYQQBO-PZJWPPBQSA-N 1 1 357.542 3.628 20 30 FHEDMO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000602584048 567994123 /nfs/dbraw/zinc/99/41/23/567994123.db2.gz XJIIOUVXJWQBLA-QGZVFWFLSA-N 1 1 354.454 3.510 20 30 FHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000602917340 568012530 /nfs/dbraw/zinc/01/25/30/568012530.db2.gz DPQFPBLKSOBFHJ-RTWAWAEBSA-N 1 1 352.478 3.523 20 30 FHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1c(F)cccc1C#N ZINC000568305889 568013154 /nfs/dbraw/zinc/01/31/54/568013154.db2.gz FACXKPWCFPCKOA-NRFANRHFSA-N 1 1 367.468 3.513 20 30 FHEDMO C[C@@H]([NH2+]CC1(CC#N)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000602809819 568041662 /nfs/dbraw/zinc/04/16/62/568041662.db2.gz QJFDTPSNZJTMTG-LLVKDONJSA-N 1 1 361.243 3.844 20 30 FHEDMO COC(=O)c1ccc(Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)c(C#N)n1 ZINC000568532174 568047369 /nfs/dbraw/zinc/04/73/69/568047369.db2.gz AWIVMYKIHRCOSB-UHFFFAOYSA-N 1 1 363.421 3.668 20 30 FHEDMO N#Cc1c(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cn2ccccc12 ZINC000481613920 568071120 /nfs/dbraw/zinc/07/11/20/568071120.db2.gz VOBOOFWGOZLTIZ-UHFFFAOYSA-N 1 1 363.436 3.520 20 30 FHEDMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1Cl ZINC000481660774 568081544 /nfs/dbraw/zinc/08/15/44/568081544.db2.gz QWNOAWVVOJOTHN-QGZVFWFLSA-N 1 1 360.820 3.775 20 30 FHEDMO C[NH+](C)[C@@H](C(=O)NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000568660071 568112895 /nfs/dbraw/zinc/11/28/95/568112895.db2.gz RWXNOZSIDIRRDV-GOSISDBHSA-N 1 1 353.853 3.620 20 30 FHEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC000481754067 568115466 /nfs/dbraw/zinc/11/54/66/568115466.db2.gz YZZOONMHQWJDGS-UHFFFAOYSA-N 1 1 365.864 3.617 20 30 FHEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC000481754067 568115467 /nfs/dbraw/zinc/11/54/67/568115467.db2.gz YZZOONMHQWJDGS-UHFFFAOYSA-N 1 1 365.864 3.617 20 30 FHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCCCCC2)c1C#N ZINC000008119155 568142428 /nfs/dbraw/zinc/14/24/28/568142428.db2.gz PFXYNPCFHUTHIL-UHFFFAOYSA-N 1 1 364.493 3.839 20 30 FHEDMO CC(C)c1ccc(OC2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000603850937 568165174 /nfs/dbraw/zinc/16/51/74/568165174.db2.gz XDGCPDKMTRFCOI-JOCHJYFZSA-N 1 1 371.525 3.708 20 30 FHEDMO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000603853669 568167338 /nfs/dbraw/zinc/16/73/38/568167338.db2.gz KUVFGNMPISVYMM-UGKGYDQZSA-N 1 1 353.510 3.929 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(C)c2)cc1 ZINC000603859843 568170188 /nfs/dbraw/zinc/17/01/88/568170188.db2.gz APHIJHDQXAZGLH-UHFFFAOYSA-N 1 1 365.477 3.772 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000603859843 568170189 /nfs/dbraw/zinc/17/01/89/568170189.db2.gz APHIJHDQXAZGLH-UHFFFAOYSA-N 1 1 365.477 3.772 20 30 FHEDMO C=CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000303453932 568279763 /nfs/dbraw/zinc/27/97/63/568279763.db2.gz FPBQUXORKPHRRO-FQEVSTJZSA-N 1 1 350.462 3.532 20 30 FHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128779198 568292591 /nfs/dbraw/zinc/29/25/91/568292591.db2.gz UYYVUNHKHVGVEZ-INIZCTEOSA-N 1 1 369.852 3.694 20 30 FHEDMO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCCc2ccccc21 ZINC000604468341 568297537 /nfs/dbraw/zinc/29/75/37/568297537.db2.gz MIZIVORAOAPHAH-UGKGYDQZSA-N 1 1 350.462 3.502 20 30 FHEDMO CCC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCc2ccccc21 ZINC000604503422 568302126 /nfs/dbraw/zinc/30/21/26/568302126.db2.gz OLXOIOLEGXNDAB-OFNKIYASSA-N 1 1 364.489 3.892 20 30 FHEDMO CCC[N@H+](Cc1ccccc1F)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604503395 568302178 /nfs/dbraw/zinc/30/21/78/568302178.db2.gz JROSYKZTWCNUOS-LJQANCHMSA-N 1 1 356.441 3.544 20 30 FHEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000569177286 568304836 /nfs/dbraw/zinc/30/48/36/568304836.db2.gz BWFOYKWFROSRQH-KRWDZBQOSA-N 1 1 365.477 3.596 20 30 FHEDMO N#Cc1ccc(/C=C\c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000609475414 568321579 /nfs/dbraw/zinc/32/15/79/568321579.db2.gz BNALWBAOYZJJRP-YFHOEESVSA-N 1 1 372.428 3.611 20 30 FHEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H](C)C#N ZINC000049982253 568641427 /nfs/dbraw/zinc/64/14/27/568641427.db2.gz ISEKKSRVNPQTMP-AWEZNQCLSA-N 1 1 358.511 3.699 20 30 FHEDMO Cc1cc(=O)n(C)cc1NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000328602180 571323810 /nfs/dbraw/zinc/32/38/10/571323810.db2.gz AROZEWVUQWUABY-XMSQKQJNSA-N 1 1 365.477 3.584 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000828258172 602054738 /nfs/dbraw/zinc/05/47/38/602054738.db2.gz QPKNCGQFWBYSDM-LAUBAEHRSA-N 1 1 369.509 3.660 20 30 FHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1C(C)(C)C#N ZINC000819745691 607146389 /nfs/dbraw/zinc/14/63/89/607146389.db2.gz PPLXXVRXUWCEGG-UHFFFAOYSA-N 1 1 372.476 3.856 20 30 FHEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000824777082 608125830 /nfs/dbraw/zinc/12/58/30/608125830.db2.gz HOGMHADCDLBXBV-NRFANRHFSA-N 1 1 358.449 3.659 20 30 FHEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000824777082 608125831 /nfs/dbraw/zinc/12/58/31/608125831.db2.gz HOGMHADCDLBXBV-NRFANRHFSA-N 1 1 358.449 3.659 20 30 FHEDMO N#Cc1cnc2cc[nH]c(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c1-2 ZINC001164626903 719091946 /nfs/dbraw/zinc/09/19/46/719091946.db2.gz JNJYDPDEFMSTPG-YLJYHZDGSA-N 1 1 357.461 3.535 20 30 FHEDMO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725937 720384887 /nfs/dbraw/zinc/38/48/87/720384887.db2.gz OGLHBCGCGNGSPZ-HOTGVXAUSA-N 1 1 374.275 3.508 20 30 FHEDMO Cc1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C#N ZINC001164793946 721491242 /nfs/dbraw/zinc/49/12/42/721491242.db2.gz YPBSOJRXHZWVAL-UHFFFAOYSA-N 1 1 361.493 3.538 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)nc1 ZINC000582973268 936336717 /nfs/dbraw/zinc/33/67/17/936336717.db2.gz UARBSXZOFTZVJR-HNNXBMFYSA-N 1 1 356.267 3.780 20 30 FHEDMO COc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(C)c1OC ZINC000583051476 937079908 /nfs/dbraw/zinc/07/99/08/937079908.db2.gz QRKLGUUQCVAWFM-UHFFFAOYSA-N 1 1 365.477 3.596 20 30 FHEDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)c1C ZINC000161531373 937128753 /nfs/dbraw/zinc/12/87/53/937128753.db2.gz YGOXEANHZHLBLO-MRXNPFEDSA-N 1 1 351.450 3.665 20 30 FHEDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)c1C ZINC000161531373 937128754 /nfs/dbraw/zinc/12/87/54/937128754.db2.gz YGOXEANHZHLBLO-MRXNPFEDSA-N 1 1 351.450 3.665 20 30 FHEDMO N#Cc1cc(F)cc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001139875695 927032704 /nfs/dbraw/zinc/03/27/04/927032704.db2.gz AFRLMHWNWXXYBL-UHFFFAOYSA-N 1 1 353.224 3.999 20 30 FHEDMO N#Cc1cc(F)cc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001139875695 927032720 /nfs/dbraw/zinc/03/27/20/927032720.db2.gz AFRLMHWNWXXYBL-UHFFFAOYSA-N 1 1 353.224 3.999 20 30 FHEDMO COc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)cc1OCCCC#N ZINC000579726056 927206925 /nfs/dbraw/zinc/20/69/25/927206925.db2.gz WJQQPNLFDFFTJB-HKUYNNGSSA-N 1 1 360.498 3.893 20 30 FHEDMO CCOCCC[N@H+]1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)[C@@H](C)C1 ZINC000246850147 927217084 /nfs/dbraw/zinc/21/70/84/927217084.db2.gz QRBQBPGTRMETSB-ZFWWWQNUSA-N 1 1 370.419 3.521 20 30 FHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)nc1 ZINC000430157347 927394345 /nfs/dbraw/zinc/39/43/45/927394345.db2.gz DAMMEZIUHPWPLQ-LBPRGKRZSA-N 1 1 353.369 3.687 20 30 FHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)s3)C2)nc1 ZINC000430157347 927394351 /nfs/dbraw/zinc/39/43/51/927394351.db2.gz DAMMEZIUHPWPLQ-LBPRGKRZSA-N 1 1 353.369 3.687 20 30 FHEDMO Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(OC(F)F)cc1C ZINC000430161008 927459194 /nfs/dbraw/zinc/45/91/94/927459194.db2.gz BPEASGTWKPHZRD-KRWDZBQOSA-N 1 1 373.403 3.825 20 30 FHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-c4ccncc4)cc3F)C2)nc1 ZINC000430188553 927682290 /nfs/dbraw/zinc/68/22/90/927682290.db2.gz UKPUEUYTTMAHNQ-FQEVSTJZSA-N 1 1 374.419 3.808 20 30 FHEDMO C[C@@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000111657453 927867051 /nfs/dbraw/zinc/86/70/51/927867051.db2.gz OBDZMPMYCBPASY-JTMYGCHMSA-N 1 1 369.509 3.626 20 30 FHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000471146851 927955477 /nfs/dbraw/zinc/95/54/77/927955477.db2.gz HDYTWOGMOQKXLD-LJQANCHMSA-N 1 1 357.404 3.670 20 30 FHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047106131 928176889 /nfs/dbraw/zinc/17/68/89/928176889.db2.gz YYWYYFWJJFYXNF-LSDHHAIUSA-N 1 1 353.919 3.726 20 30 FHEDMO Cc1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cn2cc[nH+]c12 ZINC000578162846 928310655 /nfs/dbraw/zinc/31/06/55/928310655.db2.gz YVMNYRNKETVMGO-UHFFFAOYSA-N 1 1 365.462 3.565 20 30 FHEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC000157688361 928429164 /nfs/dbraw/zinc/42/91/64/928429164.db2.gz HKPIAYUXQLDKKJ-INIZCTEOSA-N 1 1 358.486 3.541 20 30 FHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000052207823 937267647 /nfs/dbraw/zinc/26/76/47/937267647.db2.gz UUIRBPMPBYJZAJ-FXAWDEMLSA-N 1 1 357.498 3.620 20 30 FHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000510130282 928898292 /nfs/dbraw/zinc/89/82/92/928898292.db2.gz CIFCRHXUSISKSN-AWEZNQCLSA-N 1 1 355.360 3.660 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2cccc(O)c2)c1 ZINC000533447670 928907246 /nfs/dbraw/zinc/90/72/46/928907246.db2.gz SDYCBJHEOFVCIW-GOSISDBHSA-N 1 1 365.477 3.776 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(O)c2)c1 ZINC000533447670 928907252 /nfs/dbraw/zinc/90/72/52/928907252.db2.gz SDYCBJHEOFVCIW-GOSISDBHSA-N 1 1 365.477 3.776 20 30 FHEDMO CCCOc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000134512292 928965647 /nfs/dbraw/zinc/96/56/47/928965647.db2.gz AJUNHXPCRYNQMK-UHFFFAOYSA-N 1 1 363.461 3.734 20 30 FHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1nc(C(=O)OC)c2ccccc21 ZINC000748087662 929050640 /nfs/dbraw/zinc/05/06/40/929050640.db2.gz ZKEJPVZZTIYGCL-UHFFFAOYSA-N 1 1 362.433 3.564 20 30 FHEDMO CN(C(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000430297409 929403378 /nfs/dbraw/zinc/40/33/78/929403378.db2.gz VFJPQEBXECOEBZ-GOSISDBHSA-N 1 1 352.865 3.676 20 30 FHEDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1C#N ZINC000134956653 929635799 /nfs/dbraw/zinc/63/57/99/929635799.db2.gz HRSYOYIAIKWHOV-SFHVURJKSA-N 1 1 352.434 3.921 20 30 FHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000547990115 929783906 /nfs/dbraw/zinc/78/39/06/929783906.db2.gz CNOXNOPYBWKPAV-JKSUJKDBSA-N 1 1 359.901 3.938 20 30 FHEDMO C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000610338055 930023732 /nfs/dbraw/zinc/02/37/32/930023732.db2.gz UFOPLHQJLUOKRU-OWCLPIDISA-N 1 1 364.449 3.945 20 30 FHEDMO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(Br)cc1O ZINC000610344620 930047940 /nfs/dbraw/zinc/04/79/40/930047940.db2.gz AVIXYRTUPLHRFA-NSHDSACASA-N 1 1 361.239 3.886 20 30 FHEDMO C[C@H]1CN(Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C[C@H](C)O1 ZINC000177683562 930110075 /nfs/dbraw/zinc/11/00/75/930110075.db2.gz WIDKZKGMYVQMIC-HOTGVXAUSA-N 1 1 355.507 3.519 20 30 FHEDMO N#CCC[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000160625311 931103422 /nfs/dbraw/zinc/10/34/22/931103422.db2.gz ZVYJPAPIVYKXTD-OAQYLSRUSA-N 1 1 362.477 3.559 20 30 FHEDMO CC(=O)c1ccc(C#N)c(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000580806453 931172844 /nfs/dbraw/zinc/17/28/44/931172844.db2.gz PJHSVXDOBXGKHQ-MRXNPFEDSA-N 1 1 363.461 3.594 20 30 FHEDMO CC(=O)c1ccc(C#N)c(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000580806453 931172847 /nfs/dbraw/zinc/17/28/47/931172847.db2.gz PJHSVXDOBXGKHQ-MRXNPFEDSA-N 1 1 363.461 3.594 20 30 FHEDMO C=CCn1c(SCCCc2c[nH+]cn2C)nc2cc(Cl)ccc2c1=O ZINC000580845438 931260562 /nfs/dbraw/zinc/26/05/62/931260562.db2.gz ZAYPUJQGOPECRF-UHFFFAOYSA-N 1 1 374.897 3.694 20 30 FHEDMO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473981 931467824 /nfs/dbraw/zinc/46/78/24/931467824.db2.gz NSEZJXKDQXCLKA-MGPUTAFESA-N 1 1 351.425 3.539 20 30 FHEDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473981 931467828 /nfs/dbraw/zinc/46/78/28/931467828.db2.gz NSEZJXKDQXCLKA-MGPUTAFESA-N 1 1 351.425 3.539 20 30 FHEDMO C[NH+](C)[C@@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000581019511 931474791 /nfs/dbraw/zinc/47/47/91/931474791.db2.gz GEEJDGVCUNMDJJ-TZIWHRDSSA-N 1 1 367.880 3.510 20 30 FHEDMO C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000581208367 931675960 /nfs/dbraw/zinc/67/59/60/931675960.db2.gz ODWSZNLQMXWUJE-RHSMWYFYSA-N 1 1 365.437 3.514 20 30 FHEDMO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2SC)cc1C#N ZINC000135097053 931925626 /nfs/dbraw/zinc/92/56/26/931925626.db2.gz SNRJTZLKFOXQBA-UHFFFAOYSA-N 1 1 372.490 3.938 20 30 FHEDMO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2SC)cc1C#N ZINC000135097053 931925628 /nfs/dbraw/zinc/92/56/28/931925628.db2.gz SNRJTZLKFOXQBA-UHFFFAOYSA-N 1 1 372.490 3.938 20 30 FHEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000581421814 932024390 /nfs/dbraw/zinc/02/43/90/932024390.db2.gz FGBABFNEPNPMIL-RXVVDRJESA-N 1 1 366.509 3.979 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nccn1CC ZINC000581442146 932077254 /nfs/dbraw/zinc/07/72/54/932077254.db2.gz RBZLLDHCTYNKPY-VQTJNVASSA-N 1 1 369.509 3.598 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nccn1CC ZINC000581442146 932077259 /nfs/dbraw/zinc/07/72/59/932077259.db2.gz RBZLLDHCTYNKPY-VQTJNVASSA-N 1 1 369.509 3.598 20 30 FHEDMO C[C@H]1SCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1c1ccccc1 ZINC000581513210 932191909 /nfs/dbraw/zinc/19/19/09/932191909.db2.gz HKMBVFKUWLAGTJ-YLJYHZDGSA-N 1 1 371.550 3.850 20 30 FHEDMO C[C@H]1SCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1c1ccccc1 ZINC000581513210 932191918 /nfs/dbraw/zinc/19/19/18/932191918.db2.gz HKMBVFKUWLAGTJ-YLJYHZDGSA-N 1 1 371.550 3.850 20 30 FHEDMO N#Cc1csc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000084180530 932207682 /nfs/dbraw/zinc/20/76/82/932207682.db2.gz QROSPHHTYVNNGP-UHFFFAOYSA-N 1 1 361.470 3.731 20 30 FHEDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000178059130 932244458 /nfs/dbraw/zinc/24/44/58/932244458.db2.gz QULWCCQCTNIEBZ-SFHVURJKSA-N 1 1 351.450 3.652 20 30 FHEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000127252277 932474846 /nfs/dbraw/zinc/47/48/46/932474846.db2.gz NMBOSXBOLCDYHO-QGZVFWFLSA-N 1 1 368.506 3.679 20 30 FHEDMO CC[N@@H+](CCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000538067371 932698611 /nfs/dbraw/zinc/69/86/11/932698611.db2.gz BXIYLZZTZQGYJG-UHFFFAOYSA-N 1 1 362.477 3.509 20 30 FHEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000134647340 932766203 /nfs/dbraw/zinc/76/62/03/932766203.db2.gz NXJGZIVEAQXJAN-FUHWJXTLSA-N 1 1 373.497 3.705 20 30 FHEDMO CON=Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000255373534 932864317 /nfs/dbraw/zinc/86/43/17/932864317.db2.gz KQLCGJISPUPAGC-MJGOQNOKSA-N 1 1 371.506 3.541 20 30 FHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@](F)(c3ccccc3F)C2)c1 ZINC000581896558 932914793 /nfs/dbraw/zinc/91/47/93/932914793.db2.gz JEQGIUMDYXTUED-FQEVSTJZSA-N 1 1 355.388 3.597 20 30 FHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)c1 ZINC000581896558 932914796 /nfs/dbraw/zinc/91/47/96/932914796.db2.gz JEQGIUMDYXTUED-FQEVSTJZSA-N 1 1 355.388 3.597 20 30 FHEDMO N#Cc1cc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cs1 ZINC000891646669 932916017 /nfs/dbraw/zinc/91/60/17/932916017.db2.gz YZPVQIVBSXICMA-UHFFFAOYSA-N 1 1 351.475 3.677 20 30 FHEDMO N#Cc1cc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cs1 ZINC000891646669 932916021 /nfs/dbraw/zinc/91/60/21/932916021.db2.gz YZPVQIVBSXICMA-UHFFFAOYSA-N 1 1 351.475 3.677 20 30 FHEDMO C=CCOc1cccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000510487939 932922974 /nfs/dbraw/zinc/92/29/74/932922974.db2.gz DGCKFFVOCAXQGR-UHFFFAOYSA-N 1 1 353.466 3.895 20 30 FHEDMO N#CCSCCC[N@H+]1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000074990723 933095784 /nfs/dbraw/zinc/09/57/84/933095784.db2.gz RYUGUUTXQVOUJU-INIZCTEOSA-N 1 1 360.458 3.583 20 30 FHEDMO N#CCSCCC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000074990723 933095790 /nfs/dbraw/zinc/09/57/90/933095790.db2.gz RYUGUUTXQVOUJU-INIZCTEOSA-N 1 1 360.458 3.583 20 30 FHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000430874884 933352384 /nfs/dbraw/zinc/35/23/84/933352384.db2.gz IUVOBGDPHBYKQA-IBGZPJMESA-N 1 1 350.462 3.736 20 30 FHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1cc(C#N)cs1 ZINC000891814157 933434719 /nfs/dbraw/zinc/43/47/19/933434719.db2.gz APIBKJXBZARLJB-UHFFFAOYSA-N 1 1 370.522 3.802 20 30 FHEDMO COc1ccc(COCC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000610604077 933511878 /nfs/dbraw/zinc/51/18/78/933511878.db2.gz UVRJNHPTPLVVKC-YADHBBJMSA-N 1 1 350.462 3.984 20 30 FHEDMO COc1ccc(COCC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000610604077 933511885 /nfs/dbraw/zinc/51/18/85/933511885.db2.gz UVRJNHPTPLVVKC-YADHBBJMSA-N 1 1 350.462 3.984 20 30 FHEDMO N#Cc1cccc(OCC[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1 ZINC000610604791 933514575 /nfs/dbraw/zinc/51/45/75/933514575.db2.gz MGSJEBPMWXFCMF-STQMWFEESA-N 1 1 352.278 3.610 20 30 FHEDMO C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510719466 933517188 /nfs/dbraw/zinc/51/71/88/933517188.db2.gz KYNKTNBBBWYZKB-FXAWDEMLSA-N 1 1 362.477 3.980 20 30 FHEDMO Cc1ncsc1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000510760293 933664621 /nfs/dbraw/zinc/66/46/21/933664621.db2.gz CVULVDLTLSJAKN-QGZVFWFLSA-N 1 1 360.914 3.530 20 30 FHEDMO CC1(c2ccccc2)CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000510779029 933715530 /nfs/dbraw/zinc/71/55/30/933715530.db2.gz CGRYWOYOFFJIOE-GOSISDBHSA-N 1 1 365.502 3.779 20 30 FHEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000471927183 933834789 /nfs/dbraw/zinc/83/47/89/933834789.db2.gz ADJCPGXNMZEEGK-ZWKOTPCHSA-N 1 1 354.841 3.779 20 30 FHEDMO N#Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)ccc1F ZINC000510840459 933839929 /nfs/dbraw/zinc/83/99/29/933839929.db2.gz DFNRQKUBMAIZPQ-KRWDZBQOSA-N 1 1 373.378 3.793 20 30 FHEDMO C[C@@H]1C[C@@H](NC(=O)CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176137775 934300298 /nfs/dbraw/zinc/30/02/98/934300298.db2.gz UNSCXLCISKASPN-GCJKJVERSA-N 1 1 361.489 3.660 20 30 FHEDMO Cc1cc(C)cc(C2=CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000535793441 934386060 /nfs/dbraw/zinc/38/60/60/934386060.db2.gz ZRAYNPCBFSFODL-AVRDEDQJSA-N 1 1 353.510 3.836 20 30 FHEDMO Cc1cc(C)cc(C2=CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000535793441 934386071 /nfs/dbraw/zinc/38/60/71/934386071.db2.gz ZRAYNPCBFSFODL-AVRDEDQJSA-N 1 1 353.510 3.836 20 30 FHEDMO N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065202264 934636967 /nfs/dbraw/zinc/63/69/67/934636967.db2.gz GWKXBSKSWNEWQM-QGZVFWFLSA-N 1 1 350.422 3.791 20 30 FHEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2Cc2ccnc(C#N)c2)cc1OC ZINC000610992264 934735042 /nfs/dbraw/zinc/73/50/42/934735042.db2.gz OZUXBVAPVVITAA-HXUWFJFHSA-N 1 1 365.477 3.958 20 30 FHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)ccn1 ZINC000610993308 934737756 /nfs/dbraw/zinc/73/77/56/934737756.db2.gz KNHSTJGADGHXAQ-INIZCTEOSA-N 1 1 363.396 3.522 20 30 FHEDMO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000610993296 934737766 /nfs/dbraw/zinc/73/77/66/934737766.db2.gz KLFMAPVFTZVRCM-INIZCTEOSA-N 1 1 351.450 3.806 20 30 FHEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000156625310 934815095 /nfs/dbraw/zinc/81/50/95/934815095.db2.gz ZXLALBMFPWKGHU-LMKMVOKYSA-N 1 1 356.491 3.758 20 30 FHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000156625449 934815775 /nfs/dbraw/zinc/81/57/75/934815775.db2.gz ZXLALBMFPWKGHU-CPJLOUKISA-N 1 1 356.491 3.758 20 30 FHEDMO C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156661169 934838802 /nfs/dbraw/zinc/83/88/02/934838802.db2.gz NUUMTMKQPXMRGS-YSZBQJHXSA-N 1 1 363.505 3.577 20 30 FHEDMO C[C@@H]1C[C@H](N(C)C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156661169 934838805 /nfs/dbraw/zinc/83/88/05/934838805.db2.gz NUUMTMKQPXMRGS-YSZBQJHXSA-N 1 1 363.505 3.577 20 30 FHEDMO C[C@@H]1C[C@H](N(C)C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156661169 934838807 /nfs/dbraw/zinc/83/88/07/934838807.db2.gz NUUMTMKQPXMRGS-YSZBQJHXSA-N 1 1 363.505 3.577 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054301528 934857599 /nfs/dbraw/zinc/85/75/99/934857599.db2.gz MMAIJXMOCAPEIL-SFHVURJKSA-N 1 1 356.510 3.703 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000538685276 934887698 /nfs/dbraw/zinc/88/76/98/934887698.db2.gz SCKQLTLHNIFKSD-MGPUTAFESA-N 1 1 367.880 3.852 20 30 FHEDMO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478031927 935012767 /nfs/dbraw/zinc/01/27/67/935012767.db2.gz HVLOOHJURINYIQ-NRFANRHFSA-N 1 1 370.518 3.970 20 30 FHEDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478031927 935012776 /nfs/dbraw/zinc/01/27/76/935012776.db2.gz HVLOOHJURINYIQ-NRFANRHFSA-N 1 1 370.518 3.970 20 30 FHEDMO C#Cc1cccc(NC(=S)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000728453079 935028240 /nfs/dbraw/zinc/02/82/40/935028240.db2.gz HMZZTJLUQVPASG-HXUWFJFHSA-N 1 1 363.530 3.519 20 30 FHEDMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000178513684 935070106 /nfs/dbraw/zinc/07/01/06/935070106.db2.gz OOSCZEBTZIQSKF-UHFFFAOYSA-N 1 1 374.400 3.875 20 30 FHEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000157797697 935197061 /nfs/dbraw/zinc/19/70/61/935197061.db2.gz LADJUOKSKIDTFB-LBPRGKRZSA-N 1 1 373.526 3.786 20 30 FHEDMO C=CC[C@H](C)NC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000438842438 945089761 /nfs/dbraw/zinc/08/97/61/945089761.db2.gz RPUJQZYFOISCDM-IMFGXOCKSA-N 1 1 358.530 3.597 20 30 FHEDMO C=CC[C@H](C)NC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000438842438 945089773 /nfs/dbraw/zinc/08/97/73/945089773.db2.gz RPUJQZYFOISCDM-IMFGXOCKSA-N 1 1 358.530 3.597 20 30 FHEDMO CC[N@@H+](Cc1ccccc1OCC(=O)N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000119869911 935306775 /nfs/dbraw/zinc/30/67/75/935306775.db2.gz YMBFIFSGWNUVPM-KRWDZBQOSA-N 1 1 365.477 3.608 20 30 FHEDMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)c1 ZINC000540337691 935428292 /nfs/dbraw/zinc/42/82/92/935428292.db2.gz BIJFJRCYBHTWKM-MRXNPFEDSA-N 1 1 353.441 3.585 20 30 FHEDMO CC[C@@H]1CN(c2c(C#N)nnc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000582270746 935471652 /nfs/dbraw/zinc/47/16/52/935471652.db2.gz RDHKMUFBBPMGKM-GOSISDBHSA-N 1 1 357.461 3.602 20 30 FHEDMO C[N@H+](CCCOc1cccc(C#N)c1)Cc1nc(-c2cccs2)no1 ZINC000511111752 935633392 /nfs/dbraw/zinc/63/33/92/935633392.db2.gz ZIQZKWBFNMQEKG-UHFFFAOYSA-N 1 1 354.435 3.571 20 30 FHEDMO 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N#CC1(CCC[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000377758815 941965165 /nfs/dbraw/zinc/96/51/65/941965165.db2.gz IRYHSBJPSVQZRF-FGZHOGPDSA-N 1 1 367.537 3.541 20 30 FHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000413824719 941965576 /nfs/dbraw/zinc/96/55/76/941965576.db2.gz DGWIUTABZMONAT-TUNNFDKTSA-N 1 1 367.537 3.832 20 30 FHEDMO C=C(C)[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(F)c(F)c1 ZINC000433910405 941980254 /nfs/dbraw/zinc/98/02/54/941980254.db2.gz FLBINSRRSNCRJE-VQIMIIECSA-N 1 1 363.452 3.898 20 30 FHEDMO N#Cc1cccc(NC(=O)CC[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000434052955 942056744 /nfs/dbraw/zinc/05/67/44/942056744.db2.gz LZNNDPFUXVQFND-GOSISDBHSA-N 1 1 369.490 3.630 20 30 FHEDMO Cc1cc(C#N)cnc1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000549366540 942064978 /nfs/dbraw/zinc/06/49/78/942064978.db2.gz SCPMHCWMIFGJOH-QGZVFWFLSA-N 1 1 362.477 3.566 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000151167091 942078308 /nfs/dbraw/zinc/07/83/08/942078308.db2.gz WBBIGACUWRSHAR-PMACEKPBSA-N 1 1 367.489 3.653 20 30 FHEDMO C[N@@H+](Cc1ccccc1C#N)C1CCN(c2ncnc3ccccc32)CC1 ZINC000377989967 942131665 /nfs/dbraw/zinc/13/16/65/942131665.db2.gz CRNZCNYEUHFVGE-UHFFFAOYSA-N 1 1 357.461 3.602 20 30 FHEDMO C[NH+](C)Cc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1Cl ZINC000280333341 942166249 /nfs/dbraw/zinc/16/62/49/942166249.db2.gz VROUSXACNGGOAI-KRWDZBQOSA-N 1 1 366.852 3.594 20 30 FHEDMO C=CCC[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000502007139 942166462 /nfs/dbraw/zinc/16/64/62/942166462.db2.gz FLFGQBHVCYQSNI-DLBZAZTESA-N 1 1 370.415 3.550 20 30 FHEDMO C=CCC[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000502007139 942166463 /nfs/dbraw/zinc/16/64/63/942166463.db2.gz FLFGQBHVCYQSNI-DLBZAZTESA-N 1 1 370.415 3.550 20 30 FHEDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000280626881 942216603 /nfs/dbraw/zinc/21/66/03/942216603.db2.gz XAYBSSSDRXTFTG-NQIIRXRSSA-N 1 1 357.498 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942536120 /nfs/dbraw/zinc/53/61/20/942536120.db2.gz QROSRLVCUVKHCS-UTKZUKDTSA-N 1 1 351.494 3.827 20 30 FHEDMO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502554541 942536126 /nfs/dbraw/zinc/53/61/26/942536126.db2.gz QROSRLVCUVKHCS-UTKZUKDTSA-N 1 1 351.494 3.827 20 30 FHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513879683 942572335 /nfs/dbraw/zinc/57/23/35/942572335.db2.gz IPEBGYTUAOOIED-SFHVURJKSA-N 1 1 352.453 3.976 20 30 FHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCC#Cc2cccc(F)c2)cc1 ZINC000513932748 942613937 /nfs/dbraw/zinc/61/39/37/942613937.db2.gz ALHZAMAMGVUCTD-UHFFFAOYSA-N 1 1 352.453 3.839 20 30 FHEDMO N#C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@]12c1ccccc1NC2=O ZINC000513975087 942639940 /nfs/dbraw/zinc/63/99/40/942639940.db2.gz XGDHBARBENZEOL-WMZHIEFXSA-N 1 1 353.425 3.685 20 30 FHEDMO N#C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@]12c1ccccc1NC2=O ZINC000513975087 942639942 /nfs/dbraw/zinc/63/99/42/942639942.db2.gz XGDHBARBENZEOL-WMZHIEFXSA-N 1 1 353.425 3.685 20 30 FHEDMO COc1cccc(Cl)c1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000513965745 942646703 /nfs/dbraw/zinc/64/67/03/942646703.db2.gz DTLYCGQHFTXUDL-UHFFFAOYSA-N 1 1 355.869 3.933 20 30 FHEDMO COc1cccc(Cl)c1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000513965745 942646706 /nfs/dbraw/zinc/64/67/06/942646706.db2.gz DTLYCGQHFTXUDL-UHFFFAOYSA-N 1 1 355.869 3.933 20 30 FHEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000066813026 942663731 /nfs/dbraw/zinc/66/37/31/942663731.db2.gz WONNAOYRRIFMAN-UHFFFAOYSA-N 1 1 364.449 3.815 20 30 FHEDMO C=CCCO[C@H](C)C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000501764226 942666032 /nfs/dbraw/zinc/66/60/32/942666032.db2.gz TXMLGPGXMJPNQE-XLIONFOSSA-N 1 1 358.526 3.557 20 30 FHEDMO Cc1cc(C#N)cnc1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000549425350 942676305 /nfs/dbraw/zinc/67/63/05/942676305.db2.gz JAGNBFXJOQIZQJ-UHFFFAOYSA-N 1 1 359.433 3.882 20 30 FHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000367037414 942735049 /nfs/dbraw/zinc/73/50/49/942735049.db2.gz LBHLEWCQVOATGV-UNMCSNQZSA-N 1 1 359.473 3.716 20 30 FHEDMO CO[C@@H](C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000514114967 942754586 /nfs/dbraw/zinc/75/45/86/942754586.db2.gz MOXDBAUBVSEXRV-SFTDATJTSA-N 1 1 369.896 3.910 20 30 FHEDMO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000434615062 942800280 /nfs/dbraw/zinc/80/02/80/942800280.db2.gz LRYCXYVHJIUISQ-HXUWFJFHSA-N 1 1 374.481 3.800 20 30 FHEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000434615062 942800285 /nfs/dbraw/zinc/80/02/85/942800285.db2.gz LRYCXYVHJIUISQ-HXUWFJFHSA-N 1 1 374.481 3.800 20 30 FHEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000502913599 942837110 /nfs/dbraw/zinc/83/71/10/942837110.db2.gz SQTCKKRJFZWXBG-QGZVFWFLSA-N 1 1 351.450 3.676 20 30 FHEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000502903949 942844712 /nfs/dbraw/zinc/84/47/12/942844712.db2.gz PHXQDGREODPRNO-NRFANRHFSA-N 1 1 351.425 3.766 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCSC(C)(C)CC1 ZINC000434677646 942863111 /nfs/dbraw/zinc/86/31/11/942863111.db2.gz ZJBSJZNTPLNIPH-OAHLLOKOSA-N 1 1 352.569 3.869 20 30 FHEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000434714712 942876937 /nfs/dbraw/zinc/87/69/37/942876937.db2.gz SCKZNMHKCIZGLQ-UHFFFAOYSA-N 1 1 366.421 3.706 20 30 FHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363913414 943043244 /nfs/dbraw/zinc/04/32/44/943043244.db2.gz HOLPMHHKWPYZSG-ZIAGYGMSSA-N 1 1 353.919 3.726 20 30 FHEDMO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)nn1 ZINC000894270836 943044386 /nfs/dbraw/zinc/04/43/86/943044386.db2.gz KHTMPSMZEGAIMM-UHFFFAOYSA-N 1 1 373.844 3.638 20 30 FHEDMO C=CCOc1ccc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000434980833 943073244 /nfs/dbraw/zinc/07/32/44/943073244.db2.gz BUPWEZAHETWQAC-FQEVSTJZSA-N 1 1 352.478 3.749 20 30 FHEDMO Cc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1C ZINC000513785766 943103224 /nfs/dbraw/zinc/10/32/24/943103224.db2.gz SPIPAUZXKAAGEU-OAQYLSRUSA-N 1 1 368.502 3.786 20 30 FHEDMO Cc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1C ZINC000513785766 943103228 /nfs/dbraw/zinc/10/32/28/943103228.db2.gz SPIPAUZXKAAGEU-OAQYLSRUSA-N 1 1 368.502 3.786 20 30 FHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cc2)C1 ZINC000272422274 943153093 /nfs/dbraw/zinc/15/30/93/943153093.db2.gz NNHNJXASILUEMH-GOSISDBHSA-N 1 1 368.525 3.754 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)o2)c1 ZINC000514694360 943226855 /nfs/dbraw/zinc/22/68/55/943226855.db2.gz HKGSGMUXBSXPOA-QFIPXVFZSA-N 1 1 372.428 3.578 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)o2)c1 ZINC000514694360 943226858 /nfs/dbraw/zinc/22/68/58/943226858.db2.gz HKGSGMUXBSXPOA-QFIPXVFZSA-N 1 1 372.428 3.578 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[NH2+][C@@H]3CCC[C@@H]3OCc3ccccc3)o2)c1 ZINC000503516957 943228641 /nfs/dbraw/zinc/22/86/41/943228641.db2.gz OBMGMJUZBJCAQA-UXHICEINSA-N 1 1 374.444 3.836 20 30 FHEDMO N#C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000505637996 943272295 /nfs/dbraw/zinc/27/22/95/943272295.db2.gz RLXLHRWFJMGUQY-XLIONFOSSA-N 1 1 367.880 3.933 20 30 FHEDMO C[C@]1(CNc2c(C#N)nnc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000312396180 943299190 /nfs/dbraw/zinc/29/91/90/943299190.db2.gz DISQZCLGDNXURG-JOCHJYFZSA-N 1 1 357.461 3.826 20 30 FHEDMO C=CCC[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000435281045 943300260 /nfs/dbraw/zinc/30/02/60/943300260.db2.gz PMVKJWPNEBRCCZ-YADHBBJMSA-N 1 1 364.489 3.711 20 30 FHEDMO C=CCC[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000435281045 943300265 /nfs/dbraw/zinc/30/02/65/943300265.db2.gz PMVKJWPNEBRCCZ-YADHBBJMSA-N 1 1 364.489 3.711 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435352426 943350873 /nfs/dbraw/zinc/35/08/73/943350873.db2.gz DVOBRUNGOLBNOB-LJQANCHMSA-N 1 1 373.500 3.713 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514964481 943411728 /nfs/dbraw/zinc/41/17/28/943411728.db2.gz WUTWFJLAFKTWNF-LJQANCHMSA-N 1 1 357.542 3.575 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000435460756 943425852 /nfs/dbraw/zinc/42/58/52/943425852.db2.gz ZTQZBGSTGDSNNB-UHFFFAOYSA-N 1 1 363.417 3.615 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000435460756 943425856 /nfs/dbraw/zinc/42/58/56/943425856.db2.gz ZTQZBGSTGDSNNB-UHFFFAOYSA-N 1 1 363.417 3.615 20 30 FHEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000515000482 943443383 /nfs/dbraw/zinc/44/33/83/943443383.db2.gz NMOCCXZZZVBUJQ-UHFFFAOYSA-N 1 1 361.536 3.602 20 30 FHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCSC2(CCC2)CC1 ZINC000515000482 943443385 /nfs/dbraw/zinc/44/33/85/943443385.db2.gz NMOCCXZZZVBUJQ-UHFFFAOYSA-N 1 1 361.536 3.602 20 30 FHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431930551 943449421 /nfs/dbraw/zinc/44/94/21/943449421.db2.gz HMQRPICISWCFHU-WOJBJXKFSA-N 1 1 356.514 3.985 20 30 FHEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](CC)CCCC ZINC001269977246 943470493 /nfs/dbraw/zinc/47/04/93/943470493.db2.gz KLGZWZLJHKFSMA-OTWHNJEPSA-N 1 1 350.547 3.717 20 30 FHEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](CC)CCCC ZINC001269977246 943470496 /nfs/dbraw/zinc/47/04/96/943470496.db2.gz KLGZWZLJHKFSMA-OTWHNJEPSA-N 1 1 350.547 3.717 20 30 FHEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2OCC[N@@H+](C[C@H](CC)CCCC)[C@H]2C1 ZINC001269977254 943470799 /nfs/dbraw/zinc/47/07/99/943470799.db2.gz KLGZWZLJHKFSMA-QYZOEREBSA-N 1 1 350.547 3.717 20 30 FHEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2OCC[N@H+](C[C@H](CC)CCCC)[C@H]2C1 ZINC001269977254 943470803 /nfs/dbraw/zinc/47/08/03/943470803.db2.gz KLGZWZLJHKFSMA-QYZOEREBSA-N 1 1 350.547 3.717 20 30 FHEDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CCC#N)CC2)[C@H]1c1cccs1 ZINC000584717695 943480489 /nfs/dbraw/zinc/48/04/89/943480489.db2.gz JTKMKGRXOPCRCY-HKUYNNGSSA-N 1 1 374.554 3.856 20 30 FHEDMO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504339689 943592022 /nfs/dbraw/zinc/59/20/22/943592022.db2.gz WEJVSLHKPZMJKP-FGZHOGPDSA-N 1 1 359.473 3.835 20 30 FHEDMO Cc1oc(C#N)cc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000366662387 943765810 /nfs/dbraw/zinc/76/58/10/943765810.db2.gz FHOBKYCQJWHXCJ-LLVKDONJSA-N 1 1 352.369 3.584 20 30 FHEDMO C=CCn1cc(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)nn1 ZINC000424291694 943822306 /nfs/dbraw/zinc/82/23/06/943822306.db2.gz FDEUKWORWPKHGP-MRXNPFEDSA-N 1 1 369.469 3.894 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435913943 943851883 /nfs/dbraw/zinc/85/18/83/943851883.db2.gz DAYXIKHVKNQAJF-QGZVFWFLSA-N 1 1 352.482 3.549 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000425416217 943859502 /nfs/dbraw/zinc/85/95/02/943859502.db2.gz KUNLMKDVGXQMFV-DLBZAZTESA-N 1 1 356.514 3.771 20 30 FHEDMO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000504883115 943882544 /nfs/dbraw/zinc/88/25/44/943882544.db2.gz SEZMZBOOBVVQOQ-SFHVURJKSA-N 1 1 368.868 3.998 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1C ZINC000437534733 943896906 /nfs/dbraw/zinc/89/69/06/943896906.db2.gz IYYDVRHZDAPNFN-UXHICEINSA-N 1 1 371.550 3.910 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1C ZINC000437534733 943896910 /nfs/dbraw/zinc/89/69/10/943896910.db2.gz IYYDVRHZDAPNFN-UXHICEINSA-N 1 1 371.550 3.910 20 30 FHEDMO C[C@@H]1C[C@@H](Nc2c(C#N)cnc3c(Br)cccc32)C[N@H+]1C1CC1 ZINC000584502660 943913175 /nfs/dbraw/zinc/91/31/75/943913175.db2.gz POKKUGBOAPZKFB-DGCLKSJQSA-N 1 1 371.282 3.906 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000437573145 943929259 /nfs/dbraw/zinc/92/92/59/943929259.db2.gz ZCIIUEGBZCRIJL-NVXWUHKLSA-N 1 1 354.416 3.741 20 30 FHEDMO C=CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(OC)cc1 ZINC000515511606 943945555 /nfs/dbraw/zinc/94/55/55/943945555.db2.gz PDLZHMGWBIAQPB-PZJWPPBQSA-N 1 1 356.510 3.864 20 30 FHEDMO C=CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(OC)cc1 ZINC000515511606 943945561 /nfs/dbraw/zinc/94/55/61/943945561.db2.gz PDLZHMGWBIAQPB-PZJWPPBQSA-N 1 1 356.510 3.864 20 30 FHEDMO CCCCCCCCCC(=O)N1C[C@@H]2OCC[N@H+](C3CCCC3)[C@H]2C1 ZINC001270238164 943948614 /nfs/dbraw/zinc/94/86/14/943948614.db2.gz OEVMBGSNKDYBMW-PMACEKPBSA-N 1 1 350.547 3.981 20 30 FHEDMO CCCCCCCCCC(=O)N1C[C@@H]2OCC[N@@H+](C3CCCC3)[C@H]2C1 ZINC001270238164 943948619 /nfs/dbraw/zinc/94/86/19/943948619.db2.gz OEVMBGSNKDYBMW-PMACEKPBSA-N 1 1 350.547 3.981 20 30 FHEDMO CCCCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C1CCCC1 ZINC001270238165 943948799 /nfs/dbraw/zinc/94/87/99/943948799.db2.gz OEVMBGSNKDYBMW-UXHICEINSA-N 1 1 350.547 3.981 20 30 FHEDMO CCCCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C1CCCC1 ZINC001270238165 943948804 /nfs/dbraw/zinc/94/88/04/943948804.db2.gz OEVMBGSNKDYBMW-UXHICEINSA-N 1 1 350.547 3.981 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@H](C)C2)c1 ZINC000515505552 943956622 /nfs/dbraw/zinc/95/66/22/943956622.db2.gz FFYWQCRSRLXMJL-SJORKVTESA-N 1 1 363.452 3.916 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@H](C)C2)c1 ZINC000515505552 943956627 /nfs/dbraw/zinc/95/66/27/943956627.db2.gz FFYWQCRSRLXMJL-SJORKVTESA-N 1 1 363.452 3.916 20 30 FHEDMO CC[N@H+](CCCN(C)C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000566529567 943965343 /nfs/dbraw/zinc/96/53/43/943965343.db2.gz MTRZJEGCUJRHEK-UHFFFAOYSA-N 1 1 351.494 3.911 20 30 FHEDMO CC[N@@H+](CCCN(C)C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000566529567 943965348 /nfs/dbraw/zinc/96/53/48/943965348.db2.gz MTRZJEGCUJRHEK-UHFFFAOYSA-N 1 1 351.494 3.911 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000425452647 943976133 /nfs/dbraw/zinc/97/61/33/943976133.db2.gz ZXBHDMNWKFSQDN-OXJNMPFZSA-N 1 1 354.498 3.525 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C2CCC(C)CC2)cc1 ZINC000515549661 943983857 /nfs/dbraw/zinc/98/38/57/943983857.db2.gz MPZHQEFVOCPSLV-UHFFFAOYSA-N 1 1 357.498 3.842 20 30 FHEDMO Cc1cnc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cn1 ZINC000329540771 944019261 /nfs/dbraw/zinc/01/92/61/944019261.db2.gz NDSUKLWIAMGASP-INIZCTEOSA-N 1 1 368.485 3.666 20 30 FHEDMO Cc1cnc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cn1 ZINC000329540771 944019272 /nfs/dbraw/zinc/01/92/72/944019272.db2.gz NDSUKLWIAMGASP-INIZCTEOSA-N 1 1 368.485 3.666 20 30 FHEDMO CCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515626815 944059400 /nfs/dbraw/zinc/05/94/00/944059400.db2.gz ALOBCACGQVHZNG-LJQANCHMSA-N 1 1 366.440 3.826 20 30 FHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425489600 944108600 /nfs/dbraw/zinc/10/86/00/944108600.db2.gz NZOIWUSWMBBIJV-QZTJIDSGSA-N 1 1 364.493 3.781 20 30 FHEDMO C[C@]1(c2ccccc2)CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000500186179 944225563 /nfs/dbraw/zinc/22/55/63/944225563.db2.gz PSNTYYDRIAPHKC-GMAHTHKFSA-N 1 1 359.473 3.717 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C)c1C#N ZINC000425522949 944232468 /nfs/dbraw/zinc/23/24/68/944232468.db2.gz NVJJWAKMEWHWGG-HUUCEWRRSA-N 1 1 368.481 3.677 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2C)c1C#N ZINC000425522949 944232474 /nfs/dbraw/zinc/23/24/74/944232474.db2.gz NVJJWAKMEWHWGG-HUUCEWRRSA-N 1 1 368.481 3.677 20 30 FHEDMO COCCCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000425530390 944251609 /nfs/dbraw/zinc/25/16/09/944251609.db2.gz FEOQUBMYEKGNHV-QGZVFWFLSA-N 1 1 367.493 3.889 20 30 FHEDMO COCCCn1c(C)cc(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000425530390 944251614 /nfs/dbraw/zinc/25/16/14/944251614.db2.gz FEOQUBMYEKGNHV-QGZVFWFLSA-N 1 1 367.493 3.889 20 30 FHEDMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538615 944271887 /nfs/dbraw/zinc/27/18/87/944271887.db2.gz SJBMNOMFTMERMN-HOTGVXAUSA-N 1 1 353.441 3.910 20 30 FHEDMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538615 944271895 /nfs/dbraw/zinc/27/18/95/944271895.db2.gz SJBMNOMFTMERMN-HOTGVXAUSA-N 1 1 353.441 3.910 20 30 FHEDMO COc1ccc(Cl)cc1CNC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541608 944284926 /nfs/dbraw/zinc/28/49/26/944284926.db2.gz WZGPZTRHDDKXLI-AWEZNQCLSA-N 1 1 371.868 3.529 20 30 FHEDMO COc1ccc(Cl)cc1CNC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541608 944284931 /nfs/dbraw/zinc/28/49/31/944284931.db2.gz WZGPZTRHDDKXLI-AWEZNQCLSA-N 1 1 371.868 3.529 20 30 FHEDMO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425542918 944287403 /nfs/dbraw/zinc/28/74/03/944287403.db2.gz YXFMJGGBZIYCCY-IAGOWNOFSA-N 1 1 365.477 3.779 20 30 FHEDMO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425542918 944287409 /nfs/dbraw/zinc/28/74/09/944287409.db2.gz YXFMJGGBZIYCCY-IAGOWNOFSA-N 1 1 365.477 3.779 20 30 FHEDMO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1ccccn1 ZINC000162614318 944322948 /nfs/dbraw/zinc/32/29/48/944322948.db2.gz NMMSWTRHYVUNMD-IYBDPMFKSA-N 1 1 355.511 3.742 20 30 FHEDMO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1ccccn1 ZINC000162614318 944322958 /nfs/dbraw/zinc/32/29/58/944322958.db2.gz NMMSWTRHYVUNMD-IYBDPMFKSA-N 1 1 355.511 3.742 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505823256 944323781 /nfs/dbraw/zinc/32/37/81/944323781.db2.gz CPESECFMDYZEPQ-FPOVZHCZSA-N 1 1 367.489 3.556 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCCNc1nc2cc(C#N)c(C#N)cc2nc1Cl ZINC001167751146 944336812 /nfs/dbraw/zinc/33/68/12/944336812.db2.gz GJPVGSJGXVHYHY-ZDUSSCGKSA-N 1 1 368.872 3.703 20 30 FHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000506484598 944344205 /nfs/dbraw/zinc/34/42/05/944344205.db2.gz YSNGOSVEUBHEAM-RBUKOAKNSA-N 1 1 350.510 3.897 20 30 FHEDMO C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H](C)[N@@H+]1C ZINC000436501612 944386272 /nfs/dbraw/zinc/38/62/72/944386272.db2.gz DKRIYHYEZUXGHQ-IYBDPMFKSA-N 1 1 364.449 3.907 20 30 FHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)ccc1F 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20 30 FHEDMO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439437616 944614779 /nfs/dbraw/zinc/61/47/79/944614779.db2.gz ZLTXOVUOTRVHGM-UHFFFAOYSA-N 1 1 357.841 3.508 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438492632 944685685 /nfs/dbraw/zinc/68/56/85/944685685.db2.gz PLBRZGBYBNVVKG-XXBNENTESA-N 1 1 361.489 3.985 20 30 FHEDMO CCCCCCCC(=O)N1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001270134230 944704151 /nfs/dbraw/zinc/70/41/51/944704151.db2.gz JLRBHYYIHOPCIK-NRFANRHFSA-N 1 1 360.546 3.558 20 30 FHEDMO Cc1nc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)cc1C#N ZINC000383074042 944707998 /nfs/dbraw/zinc/70/79/98/944707998.db2.gz RWTDEWATXHCHPZ-QGZVFWFLSA-N 1 1 354.885 3.873 20 30 FHEDMO Cc1nc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)cc1C#N ZINC000383074035 944708007 /nfs/dbraw/zinc/70/80/07/944708007.db2.gz RWTDEWATXHCHPZ-KRWDZBQOSA-N 1 1 354.885 3.873 20 30 FHEDMO C=CCOc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000506609857 944740342 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ZINC000507715630 945488714 /nfs/dbraw/zinc/48/87/14/945488714.db2.gz RUOUFVNGEGOYCY-UHFFFAOYSA-N 1 1 358.526 3.576 20 30 FHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000438057349 945489651 /nfs/dbraw/zinc/48/96/51/945489651.db2.gz JZFQHPHRXQUPPP-QGZVFWFLSA-N 1 1 352.409 3.801 20 30 FHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000438057349 945489658 /nfs/dbraw/zinc/48/96/58/945489658.db2.gz JZFQHPHRXQUPPP-QGZVFWFLSA-N 1 1 352.409 3.801 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000550048149 945632200 /nfs/dbraw/zinc/63/22/00/945632200.db2.gz CHXJNRXWIZGCGT-NVXWUHKLSA-N 1 1 357.523 3.999 20 30 FHEDMO Cc1nc2c(n1[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC3CCCCC3)C1)CCCC2 ZINC000330347355 945636783 /nfs/dbraw/zinc/63/67/83/945636783.db2.gz HMXUCZXMFKXPLC-MAUKXSAKSA-N 1 1 358.530 3.995 20 30 FHEDMO C=CCC1(S(=O)(=O)N2CC3(C2)CC[N@H+](C[C@@H](CC)CCCC)C3)CC1 ZINC001279835306 945694014 /nfs/dbraw/zinc/69/40/14/945694014.db2.gz SHUIUEOEJPOBKI-SFHVURJKSA-N 1 1 368.587 3.649 20 30 FHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000519744606 945709139 /nfs/dbraw/zinc/70/91/39/945709139.db2.gz SPFUPTCAWZDJEJ-KRWDZBQOSA-N 1 1 367.415 3.570 20 30 FHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCc3c(C)cccc3C2)cc1 ZINC000729479641 945737019 /nfs/dbraw/zinc/73/70/19/945737019.db2.gz QCJSLNAISVCICU-IBGZPJMESA-N 1 1 361.489 3.997 20 30 FHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCc3c(C)cccc3C2)cc1 ZINC000729479641 945737026 /nfs/dbraw/zinc/73/70/26/945737026.db2.gz QCJSLNAISVCICU-IBGZPJMESA-N 1 1 361.489 3.997 20 30 FHEDMO N#Cc1ccc(CN2CC[NH+](Cc3ccsc3)CC2)c(C(F)(F)F)c1 ZINC000519854396 945822593 /nfs/dbraw/zinc/82/25/93/945822593.db2.gz BBGRXIXAYRUUNI-UHFFFAOYSA-N 1 1 365.424 3.956 20 30 FHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000519854554 945823058 /nfs/dbraw/zinc/82/30/58/945823058.db2.gz YLUUPFHKPKHKKW-GOSISDBHSA-N 1 1 364.449 3.949 20 30 FHEDMO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(C(F)(F)F)c1 ZINC000519907701 945872741 /nfs/dbraw/zinc/87/27/41/945872741.db2.gz WCSCWRDIDGROIG-SFHVURJKSA-N 1 1 367.415 3.724 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000519908743 945874135 /nfs/dbraw/zinc/87/41/35/945874135.db2.gz MXDVNEBXKBYMJO-SUMWQHHRSA-N 1 1 355.404 3.753 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000519908743 945874146 /nfs/dbraw/zinc/87/41/46/945874146.db2.gz MXDVNEBXKBYMJO-SUMWQHHRSA-N 1 1 355.404 3.753 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000519903556 945887357 /nfs/dbraw/zinc/88/73/57/945887357.db2.gz LTYNBJKTFQGBFE-DYVFJYSZSA-N 1 1 355.404 3.753 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000519903556 945887367 /nfs/dbraw/zinc/88/73/67/945887367.db2.gz LTYNBJKTFQGBFE-DYVFJYSZSA-N 1 1 355.404 3.753 20 30 FHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482268 945890846 /nfs/dbraw/zinc/89/08/46/945890846.db2.gz AAMKOOUPYDBEIU-KRWDZBQOSA-N 1 1 361.461 3.919 20 30 FHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000519923675 945901864 /nfs/dbraw/zinc/90/18/64/945901864.db2.gz FZKKQKNQWWKUIG-MOPGFXCFSA-N 1 1 370.541 3.989 20 30 FHEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000439694933 945929720 /nfs/dbraw/zinc/92/97/20/945929720.db2.gz JUBMMPRQEMTDPJ-FQEVSTJZSA-N 1 1 371.525 3.734 20 30 FHEDMO C=CCNC(=O)c1ccc(N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nc1 ZINC000301738171 945940841 /nfs/dbraw/zinc/94/08/41/945940841.db2.gz ISIDSAZBOCZINP-OAHLLOKOSA-N 1 1 361.449 3.665 20 30 FHEDMO C=CCNC(=O)c1ccc(N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nc1 ZINC000301738170 945941045 /nfs/dbraw/zinc/94/10/45/945941045.db2.gz ISIDSAZBOCZINP-HNNXBMFYSA-N 1 1 361.449 3.665 20 30 FHEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cc1c(C)cc(C#N)cc1C ZINC001271405245 946000457 /nfs/dbraw/zinc/00/04/57/946000457.db2.gz UNKLSDOCDDGXMX-GGAORHGYSA-N 1 1 373.500 3.861 20 30 FHEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123976203 946054143 /nfs/dbraw/zinc/05/41/43/946054143.db2.gz GONJLUCELVLPKP-HIFRSBDPSA-N 1 1 370.415 3.825 20 30 FHEDMO C#Cc1ccc(C(=O)N(CCC)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000728821567 946073829 /nfs/dbraw/zinc/07/38/29/946073829.db2.gz AKSVCYAMPSXEIA-JOCHJYFZSA-N 1 1 361.489 3.580 20 30 FHEDMO CC1(C)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1c1ccccc1 ZINC000441075292 946200126 /nfs/dbraw/zinc/20/01/26/946200126.db2.gz ZRHLXJSQZDJVFH-ROUUACIJSA-N 1 1 365.502 3.851 20 30 FHEDMO CC1(C)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1c1ccccc1 ZINC000441075292 946200135 /nfs/dbraw/zinc/20/01/35/946200135.db2.gz ZRHLXJSQZDJVFH-ROUUACIJSA-N 1 1 365.502 3.851 20 30 FHEDMO C=CCC1(NC(=O)c2sc3c(c2Br)C[NH2+]C3)CCCC1 ZINC000662889521 946278404 /nfs/dbraw/zinc/27/84/04/946278404.db2.gz XERKLSMTVFFQTN-UHFFFAOYSA-N 1 1 355.301 3.733 20 30 FHEDMO C=C[C@](C)(CCOC)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000473898903 946505251 /nfs/dbraw/zinc/50/52/51/946505251.db2.gz XEZZNWHUZQPMSS-LAUBAEHRSA-N 1 1 360.498 3.575 20 30 FHEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000609916448 946538644 /nfs/dbraw/zinc/53/86/44/946538644.db2.gz OXAVPMQURYUCAV-MJGOQNOKSA-N 1 1 365.452 3.950 20 30 FHEDMO FC1(F)[C@H]2C[N@@H+](C[C@@H]3CCSC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897054497 946540979 /nfs/dbraw/zinc/54/09/79/946540979.db2.gz IBCRWPOAHMLIKO-XHNCKOQMSA-N 1 1 369.321 3.842 20 30 FHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000441385323 946560214 /nfs/dbraw/zinc/56/02/14/946560214.db2.gz ZLDMDOTWDFMROQ-FQEVSTJZSA-N 1 1 355.526 3.933 20 30 FHEDMO CCSc1cccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000473142068 946582128 /nfs/dbraw/zinc/58/21/28/946582128.db2.gz ISAOIKJWTHSADD-IERDGZPVSA-N 1 1 363.486 3.644 20 30 FHEDMO CCSc1cccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000473142068 946582136 /nfs/dbraw/zinc/58/21/36/946582136.db2.gz ISAOIKJWTHSADD-IERDGZPVSA-N 1 1 363.486 3.644 20 30 FHEDMO C=CC[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)C(C)(C)C ZINC000661756448 946583184 /nfs/dbraw/zinc/58/31/84/946583184.db2.gz PLVKBFMZOTVOSW-UHFFFAOYSA-N 1 1 358.404 3.530 20 30 FHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000523007360 946585023 /nfs/dbraw/zinc/58/50/23/946585023.db2.gz IYWOYYCGJWDKFS-BEFAXECRSA-N 1 1 358.869 3.514 20 30 FHEDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192832138 946701245 /nfs/dbraw/zinc/70/12/45/946701245.db2.gz IIFVAWGBPJTBEI-LNLFQRSKSA-N 1 1 358.505 3.701 20 30 FHEDMO C[C@@](C#N)(NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000550352249 946717083 /nfs/dbraw/zinc/71/70/83/946717083.db2.gz ZVXDWGYELZGECL-KNQAVFIVSA-N 1 1 353.510 3.877 20 30 FHEDMO C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867260 946744041 /nfs/dbraw/zinc/74/40/41/946744041.db2.gz WOKAPLNCFCNGCO-OAQYLSRUSA-N 1 1 366.505 3.922 20 30 FHEDMO C=C(C)C[N@H+](Cc1c(C)nn(CC(=O)OCC)c1C)Cc1ccccc1 ZINC000475288190 946826290 /nfs/dbraw/zinc/82/62/90/946826290.db2.gz XHCXSWLRVWHGBV-UHFFFAOYSA-N 1 1 355.482 3.641 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550391431 946899802 /nfs/dbraw/zinc/89/98/02/946899802.db2.gz SWMROONBAMSFNH-KDOFPFPSSA-N 1 1 369.852 3.692 20 30 FHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550391431 946899813 /nfs/dbraw/zinc/89/98/13/946899813.db2.gz SWMROONBAMSFNH-KDOFPFPSSA-N 1 1 369.852 3.692 20 30 FHEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000475350511 946921949 /nfs/dbraw/zinc/92/19/49/946921949.db2.gz PUBOTOGRQSNAGX-LJQANCHMSA-N 1 1 365.868 3.599 20 30 FHEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000475351303 946924511 /nfs/dbraw/zinc/92/45/11/946924511.db2.gz LRQFVKVMPUMPNE-HXUWFJFHSA-N 1 1 365.868 3.599 20 30 FHEDMO Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000328656332 946966432 /nfs/dbraw/zinc/96/64/32/946966432.db2.gz NRIWHWLWNRJZQL-PMACEKPBSA-N 1 1 366.509 3.938 20 30 FHEDMO O=C(NCc1nc(C2CC2)cs1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000328597322 946976458 /nfs/dbraw/zinc/97/64/58/946976458.db2.gz ABZLPSVQKZXGIA-INIZCTEOSA-N 1 1 362.543 3.821 20 30 FHEDMO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1C ZINC000328725904 946982588 /nfs/dbraw/zinc/98/25/88/946982588.db2.gz BQUKSSJSNLAFEX-KRWDZBQOSA-N 1 1 359.470 3.540 20 30 FHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000475382692 946990251 /nfs/dbraw/zinc/99/02/51/946990251.db2.gz WGKCFOJBIRYLCD-IZZBFERCSA-N 1 1 353.510 3.938 20 30 FHEDMO COc1ccc(-c2ccc(C)c(NC(=O)N3CC[N@@H+](C)[C@H](C)[C@H]3C)c2)cn1 ZINC000328713485 947001306 /nfs/dbraw/zinc/00/13/06/947001306.db2.gz RZXCOWXMLITMCV-HZPDHXFCSA-N 1 1 368.481 3.636 20 30 FHEDMO C=CC[C@@H](CO)Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000182661229 947018422 /nfs/dbraw/zinc/01/84/22/947018422.db2.gz NFZLOVUNRPXXTM-HNNXBMFYSA-N 1 1 368.506 3.769 20 30 FHEDMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328807667 947030007 /nfs/dbraw/zinc/03/00/07/947030007.db2.gz MFFSGSVWPLCWGR-QLIIJSOBSA-N 1 1 374.525 3.650 20 30 FHEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328811056 947032287 /nfs/dbraw/zinc/03/22/87/947032287.db2.gz MTAXCCSSDHHHRQ-UUXHPUJUSA-N 1 1 360.498 3.648 20 30 FHEDMO CC(C)C[N@@H+](CCCC1(C#N)CCOCC1)C[C@H](O)c1ccc(F)cc1 ZINC000281999283 947039074 /nfs/dbraw/zinc/03/90/74/947039074.db2.gz NLDCRMKLOSMTQU-FQEVSTJZSA-N 1 1 362.489 3.918 20 30 FHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000328831802 947054986 /nfs/dbraw/zinc/05/49/86/947054986.db2.gz RIOGPRWOGCCBJE-HOJAQTOUSA-N 1 1 371.525 3.675 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCS[C@H](c4ccccc4)C3)o2)c1 ZINC000075748376 947060915 /nfs/dbraw/zinc/06/09/15/947060915.db2.gz JFIPRWMFOJJAIA-SFHVURJKSA-N 1 1 362.458 3.898 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCS[C@H](c4ccccc4)C3)o2)c1 ZINC000075748376 947060924 /nfs/dbraw/zinc/06/09/24/947060924.db2.gz JFIPRWMFOJJAIA-SFHVURJKSA-N 1 1 362.458 3.898 20 30 FHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328865804 947073392 /nfs/dbraw/zinc/07/33/92/947073392.db2.gz ZRPXBVPUJBHINZ-QZTJIDSGSA-N 1 1 365.562 3.740 20 30 FHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000328879215 947080138 /nfs/dbraw/zinc/08/01/38/947080138.db2.gz JRXDRLBJCRPVAR-HZPDHXFCSA-N 1 1 365.543 3.915 20 30 FHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@@H]1CCCO1 ZINC000328884544 947081531 /nfs/dbraw/zinc/08/15/31/947081531.db2.gz NWVUILKCPFGHNE-KBPBESRZSA-N 1 1 361.511 3.976 20 30 FHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)C[C@@H]1CCCO1 ZINC000328884544 947081536 /nfs/dbraw/zinc/08/15/36/947081536.db2.gz NWVUILKCPFGHNE-KBPBESRZSA-N 1 1 361.511 3.976 20 30 FHEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)COc2ccsc2Cl)C[C@H](C)O1 ZINC000328884692 947082449 /nfs/dbraw/zinc/08/24/49/947082449.db2.gz NYSGJLCOESFWGF-TXEJJXNPSA-N 1 1 360.907 3.625 20 30 FHEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)COc2ccsc2Cl)C[C@H](C)O1 ZINC000328884692 947082458 /nfs/dbraw/zinc/08/24/58/947082458.db2.gz NYSGJLCOESFWGF-TXEJJXNPSA-N 1 1 360.907 3.625 20 30 FHEDMO C[C@H](CNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000328941944 947095354 /nfs/dbraw/zinc/09/53/54/947095354.db2.gz FLKZVFLYQRPDME-GPMSIDNRSA-N 1 1 373.497 3.879 20 30 FHEDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1F ZINC000328951546 947098319 /nfs/dbraw/zinc/09/83/19/947098319.db2.gz CPFVYOBZTKJWDN-GXTWGEPZSA-N 1 1 358.417 3.861 20 30 FHEDMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1F ZINC000328951546 947098326 /nfs/dbraw/zinc/09/83/26/947098326.db2.gz CPFVYOBZTKJWDN-GXTWGEPZSA-N 1 1 358.417 3.861 20 30 FHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000444675718 947100402 /nfs/dbraw/zinc/10/04/02/947100402.db2.gz MLWCXALBVLWESY-ZIAGYGMSSA-N 1 1 364.440 3.895 20 30 FHEDMO COc1ccccc1[C@H](CNC(=O)[C@@H]1CCC(=O)[C@H](C)C1)[NH+]1CCCC1 ZINC000328955362 947101198 /nfs/dbraw/zinc/10/11/98/947101198.db2.gz YTMQHJFPNAJFGV-NUJGCVRESA-N 1 1 358.482 3.794 20 30 FHEDMO Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1F ZINC000444746106 947182390 /nfs/dbraw/zinc/18/23/90/947182390.db2.gz UELDNUORSFTEGT-KRWDZBQOSA-N 1 1 353.441 3.901 20 30 FHEDMO Cc1cc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1F ZINC000444746106 947182397 /nfs/dbraw/zinc/18/23/97/947182397.db2.gz UELDNUORSFTEGT-KRWDZBQOSA-N 1 1 353.441 3.901 20 30 FHEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CCCC1(C)C ZINC000444778963 947216360 /nfs/dbraw/zinc/21/63/60/947216360.db2.gz KFDZEYLKXGEKQQ-SFHVURJKSA-N 1 1 350.528 3.504 20 30 FHEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CCCC1(C)C ZINC000444790482 947232167 /nfs/dbraw/zinc/23/21/67/947232167.db2.gz JCFZUCZFXROKHT-LJQANCHMSA-N 1 1 369.509 3.584 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000246321642 947250370 /nfs/dbraw/zinc/25/03/70/947250370.db2.gz IISNEPFMOMXEMA-CRAIPNDOSA-N 1 1 360.523 3.921 20 30 FHEDMO N#Cc1cccc(C(=O)N2CCC[C@]3(CCC[N@H+](C4CCCC4)C3)C2)c1 ZINC001271497407 947271488 /nfs/dbraw/zinc/27/14/88/947271488.db2.gz QPIRXEGWWDYVFD-QFIPXVFZSA-N 1 1 351.494 3.819 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000330942742 947314012 /nfs/dbraw/zinc/31/40/12/947314012.db2.gz GVQWCCGTBFPCCO-NWDGAFQWSA-N 1 1 354.838 3.598 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)C[C@@H]1C ZINC000331109655 947348562 /nfs/dbraw/zinc/34/85/62/947348562.db2.gz HUBLFJBYJPRTQM-FUHWJXTLSA-N 1 1 374.529 3.940 20 30 FHEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(F)cc2OC(F)F)C[C@@H](C)O1 ZINC000331141007 947356025 /nfs/dbraw/zinc/35/60/25/947356025.db2.gz XAPLCJKXYBKSDG-VXGBXAGGSA-N 1 1 374.403 3.620 20 30 FHEDMO CC(=O)N(C)c1cccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000331175188 947366121 /nfs/dbraw/zinc/36/61/21/947366121.db2.gz PISRZUKXJSAHKD-LJQANCHMSA-N 1 1 360.502 3.506 20 30 FHEDMO CC(C)[NH+]=C([O-])Nc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC000331191772 947369363 /nfs/dbraw/zinc/36/93/63/947369363.db2.gz WFFHBXQZSXFCMN-UHFFFAOYSA-N 1 1 360.502 3.872 20 30 FHEDMO CCn1cc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C(F)(F)F)n1 ZINC000331222597 947372760 /nfs/dbraw/zinc/37/27/60/947372760.db2.gz KUMOBNDLIUJSPK-FRRDWIJNSA-N 1 1 360.424 3.593 20 30 FHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000523618989 947449267 /nfs/dbraw/zinc/44/92/67/947449267.db2.gz FJBYROYZTAJEBJ-HNNXBMFYSA-N 1 1 358.486 3.589 20 30 FHEDMO C#CCC[NH+]1CCN(CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000127389771 947559750 /nfs/dbraw/zinc/55/97/50/947559750.db2.gz UIQNFGIUEYDTRC-UHFFFAOYSA-N 1 1 355.526 3.513 20 30 FHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c(OC)c1 ZINC000441478079 947876934 /nfs/dbraw/zinc/87/69/34/947876934.db2.gz SMILOGUEVQCQMC-GSEOLPGOSA-N 1 1 359.510 3.816 20 30 FHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)c(OC)c1 ZINC000441478078 947877384 /nfs/dbraw/zinc/87/73/84/947877384.db2.gz SMILOGUEVQCQMC-AFYVEPGGSA-N 1 1 359.510 3.816 20 30 FHEDMO Cc1cc(C[C@@H](C)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)n[nH]1 ZINC000136774960 947924106 /nfs/dbraw/zinc/92/41/06/947924106.db2.gz GRELWDUMUVATBP-MRXNPFEDSA-N 1 1 360.461 3.890 20 30 FHEDMO CCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000441486030 947967635 /nfs/dbraw/zinc/96/76/35/947967635.db2.gz MIEJUPANPYMPPJ-BHIYHBOVSA-N 1 1 366.465 3.634 20 30 FHEDMO C[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@]1=O ZINC000278898086 948035495 /nfs/dbraw/zinc/03/54/95/948035495.db2.gz VCCDJWPYMOLTPN-AFMDSPMNSA-N 1 1 366.530 3.729 20 30 FHEDMO C[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@]1=O ZINC000278898086 948035501 /nfs/dbraw/zinc/03/55/01/948035501.db2.gz VCCDJWPYMOLTPN-AFMDSPMNSA-N 1 1 366.530 3.729 20 30 FHEDMO CCCC[N@H+]1Cc2cccc(N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2C1 ZINC000066967337 948110423 /nfs/dbraw/zinc/11/04/23/948110423.db2.gz HYENOWLYDNTDCQ-KKSFZXQISA-N 1 1 356.514 3.657 20 30 FHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3cc(F)ccc3C1)CCC2 ZINC000091894382 948147391 /nfs/dbraw/zinc/14/73/91/948147391.db2.gz RZUAELDJKMUMNI-UHFFFAOYSA-N 1 1 369.465 3.634 20 30 FHEDMO CC(C)(C)C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000507783863 948390667 /nfs/dbraw/zinc/39/06/67/948390667.db2.gz GQJDUMXPUQWDFP-HXUWFJFHSA-N 1 1 352.478 3.846 20 30 FHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000614625680 948421482 /nfs/dbraw/zinc/42/14/82/948421482.db2.gz SCDOJPUKYJGFEV-GOSISDBHSA-N 1 1 353.853 3.558 20 30 FHEDMO C=C(C)Cn1c(C2CC2)nnc1N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000549638174 948745308 /nfs/dbraw/zinc/74/53/08/948745308.db2.gz VONXDBRWHOJJRZ-UHFFFAOYSA-N 1 1 365.525 3.832 20 30 FHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046530246 948750587 /nfs/dbraw/zinc/75/05/87/948750587.db2.gz RQLWUUQIFYDKDW-GOSISDBHSA-N 1 1 360.461 3.634 20 30 FHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046530246 948750595 /nfs/dbraw/zinc/75/05/95/948750595.db2.gz RQLWUUQIFYDKDW-GOSISDBHSA-N 1 1 360.461 3.634 20 30 FHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]2CCCC[C@@H]21 ZINC000542040727 948779664 /nfs/dbraw/zinc/77/96/64/948779664.db2.gz WXGBIZYSKILZPD-CKEIUWERSA-N 1 1 357.523 3.948 20 30 FHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000096966986 222146236 /nfs/dbraw/zinc/14/62/36/222146236.db2.gz XIWCMNWIOYMSGE-HUUCEWRRSA-N 1 1 357.404 3.951 20 30 FHEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000521423920 567996723 /nfs/dbraw/zinc/99/67/23/567996723.db2.gz FSCBCXZCTVNXDZ-IFMALSPDSA-N 1 1 350.462 3.915 20 30 FHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000602599894 568000460 /nfs/dbraw/zinc/00/04/60/568000460.db2.gz TTWSELAJVCGHIN-DOTOQJQBSA-N 1 1 357.502 3.658 20 30 FHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000602599896 568000495 /nfs/dbraw/zinc/00/04/95/568000495.db2.gz TTWSELAJVCGHIN-NVXWUHKLSA-N 1 1 357.502 3.658 20 30 FHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000602917338 568012478 /nfs/dbraw/zinc/01/24/78/568012478.db2.gz DPQFPBLKSOBFHJ-NHCUHLMSSA-N 1 1 352.478 3.523 20 30 FHEDMO N#Cc1cnn2cc(C[N@H+](CCc3ccc(F)cc3)C3CCCC3)cnc12 ZINC000568513248 568044739 /nfs/dbraw/zinc/04/47/39/568044739.db2.gz POUTVOODRGUXNF-UHFFFAOYSA-N 1 1 363.440 3.727 20 30 FHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000068883573 568093066 /nfs/dbraw/zinc/09/30/66/568093066.db2.gz HEAUSEPNAYKBDJ-JOCHJYFZSA-N 1 1 374.488 3.530 20 30 FHEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603842581 568155129 /nfs/dbraw/zinc/15/51/29/568155129.db2.gz CWDATJZVTLWQCF-DOTOQJQBSA-N 1 1 358.869 3.839 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890315 568177364 /nfs/dbraw/zinc/17/73/64/568177364.db2.gz ZATKGFOMIQVIEG-CDMIOBSGSA-N 1 1 366.509 3.790 20 30 FHEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000603955191 568189355 /nfs/dbraw/zinc/18/93/55/568189355.db2.gz XULVNXYBPWFRPZ-IFMALSPDSA-N 1 1 350.462 3.638 20 30 FHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000007785550 568255891 /nfs/dbraw/zinc/25/58/91/568255891.db2.gz XSASDYONFJDUFH-UHFFFAOYSA-N 1 1 353.491 3.959 20 30 FHEDMO COCC[N@@H+](CCCc1ccc2c(c1)CCO2)Cc1ccc(C#N)cc1 ZINC000482085348 568257845 /nfs/dbraw/zinc/25/78/45/568257845.db2.gz XGFSVTDFVAYUJQ-UHFFFAOYSA-N 1 1 350.462 3.574 20 30 FHEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)CC1 ZINC000303393540 568274193 /nfs/dbraw/zinc/27/41/93/568274193.db2.gz ZHEOOQIIPJRWSU-UHFFFAOYSA-N 1 1 364.555 3.530 20 30 FHEDMO COc1ccc([C@@H](O)C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC000291708535 568278231 /nfs/dbraw/zinc/27/82/31/568278231.db2.gz ILLLSNBAZOMSKB-OAQYLSRUSA-N 1 1 354.425 3.652 20 30 FHEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2CC2CCCCC2)cc1 ZINC000604508640 568305744 /nfs/dbraw/zinc/30/57/44/568305744.db2.gz CMUIOKUEKXVKJA-LEWJYISDSA-N 1 1 356.510 3.927 20 30 FHEDMO CC(C)[C@H](C#N)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000609485816 568346121 /nfs/dbraw/zinc/34/61/21/568346121.db2.gz YEZXPXWXZGIERH-FQEVSTJZSA-N 1 1 373.504 3.667 20 30 FHEDMO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000609487165 568346605 /nfs/dbraw/zinc/34/66/05/568346605.db2.gz XRTAPJCUXDASCJ-QHCPKHFHSA-N 1 1 358.489 3.891 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000032832299 568410218 /nfs/dbraw/zinc/41/02/18/568410218.db2.gz JOEGDUMWIOURHJ-PXAZEXFGSA-N 1 1 356.297 3.868 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000032832299 568410219 /nfs/dbraw/zinc/41/02/19/568410219.db2.gz JOEGDUMWIOURHJ-PXAZEXFGSA-N 1 1 356.297 3.868 20 30 FHEDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000569648983 568411515 /nfs/dbraw/zinc/41/15/15/568411515.db2.gz IFNKIJVDLHKJEH-SFHVURJKSA-N 1 1 352.434 3.619 20 30 FHEDMO CC1(C)C[NH+](CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000569739293 568415668 /nfs/dbraw/zinc/41/56/68/568415668.db2.gz GFKRKQOOUPUANC-UHFFFAOYSA-N 1 1 365.452 3.568 20 30 FHEDMO N#Cc1ccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000569813784 568426898 /nfs/dbraw/zinc/42/68/98/568426898.db2.gz MHFDUYWHSUJHGQ-UHFFFAOYSA-N 1 1 359.813 3.504 20 30 FHEDMO N#Cc1ccc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000569813784 568426899 /nfs/dbraw/zinc/42/68/99/568426899.db2.gz MHFDUYWHSUJHGQ-UHFFFAOYSA-N 1 1 359.813 3.504 20 30 FHEDMO C=CCOc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000056663283 568711926 /nfs/dbraw/zinc/71/19/26/568711926.db2.gz LFLULPKBZJCOET-HNNXBMFYSA-N 1 1 371.506 3.881 20 30 FHEDMO C=CCOc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000056663283 568711928 /nfs/dbraw/zinc/71/19/28/568711928.db2.gz LFLULPKBZJCOET-HNNXBMFYSA-N 1 1 371.506 3.881 20 30 FHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000735827875 598988679 /nfs/dbraw/zinc/98/86/79/598988679.db2.gz SYBNEBWZOQGZKJ-UHFFFAOYSA-N 1 1 360.465 3.905 20 30 FHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000735827875 598988682 /nfs/dbraw/zinc/98/86/82/598988682.db2.gz SYBNEBWZOQGZKJ-UHFFFAOYSA-N 1 1 360.465 3.905 20 30 FHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cncc2ccccc21 ZINC000823914147 608631250 /nfs/dbraw/zinc/63/12/50/608631250.db2.gz BNOXCLLTSCFIKK-UHFFFAOYSA-N 1 1 356.433 3.603 20 30 FHEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824530292 609343194 /nfs/dbraw/zinc/34/31/94/609343194.db2.gz KONCDTYBGZIXEV-SCLBCKFNSA-N 1 1 350.401 3.701 20 30 FHEDMO N#Cc1cnc(Cl)cc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164623551 719059378 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FHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC001167642266 936324703 /nfs/dbraw/zinc/32/47/03/936324703.db2.gz VVHWGYGCZZTZFL-MRXNPFEDSA-N 1 1 367.880 3.854 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)nc1 ZINC000582973269 936336873 /nfs/dbraw/zinc/33/68/73/936336873.db2.gz UARBSXZOFTZVJR-OAHLLOKOSA-N 1 1 356.267 3.780 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)C1 ZINC000255563897 936380985 /nfs/dbraw/zinc/38/09/85/936380985.db2.gz VHVYGZWXNIMREQ-JQDPHBCOSA-N 1 1 351.494 3.684 20 30 FHEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000572921635 937083381 /nfs/dbraw/zinc/08/33/81/937083381.db2.gz SDGRQOOZHXFKJA-MBSDFSHPSA-N 1 1 363.505 3.909 20 30 FHEDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000572921635 937083382 /nfs/dbraw/zinc/08/33/82/937083382.db2.gz SDGRQOOZHXFKJA-MBSDFSHPSA-N 1 1 363.505 3.909 20 30 FHEDMO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000572921635 937083388 /nfs/dbraw/zinc/08/33/88/937083388.db2.gz SDGRQOOZHXFKJA-MBSDFSHPSA-N 1 1 363.505 3.909 20 30 FHEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000572921635 937083389 /nfs/dbraw/zinc/08/33/89/937083389.db2.gz SDGRQOOZHXFKJA-MBSDFSHPSA-N 1 1 363.505 3.909 20 30 FHEDMO CC(C)c1cc(N2CCC(C)(C#N)CC2)nc(N2CCC(C)(C#N)CC2)[nH+]1 ZINC000616377254 927442678 /nfs/dbraw/zinc/44/26/78/927442678.db2.gz DNIPGMUJGWRRNH-UHFFFAOYSA-N 1 1 366.513 3.860 20 30 FHEDMO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(Cl)cc3C#N)CC2)C[C@H](C)O1 ZINC000186927953 927575161 /nfs/dbraw/zinc/57/51/61/927575161.db2.gz GZLLWKXKPZVDJE-IYBDPMFKSA-N 1 1 361.917 3.533 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cscc3C(F)(F)F)C2)nc1 ZINC000430179641 927579256 /nfs/dbraw/zinc/57/92/56/927579256.db2.gz OZWPLVOFEFMQHL-CYBMUJFWSA-N 1 1 353.369 3.687 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cscc3C(F)(F)F)C2)nc1 ZINC000430179641 927579266 /nfs/dbraw/zinc/57/92/66/927579266.db2.gz OZWPLVOFEFMQHL-CYBMUJFWSA-N 1 1 353.369 3.687 20 30 FHEDMO C[C@@H]1C[C@H](CCNC(=O)c2sccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000510069377 927633698 /nfs/dbraw/zinc/63/36/98/927633698.db2.gz FVHUESVADPSDKI-WBVHZDCISA-N 1 1 353.491 3.650 20 30 FHEDMO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430185259 927651755 /nfs/dbraw/zinc/65/17/55/927651755.db2.gz GWBYJPNGKXFJLJ-QGZVFWFLSA-N 1 1 361.367 3.934 20 30 FHEDMO Cc1nc(C)c(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)s1 ZINC000172768798 927748161 /nfs/dbraw/zinc/74/81/61/927748161.db2.gz ASQIBBBDWQGLCA-UHFFFAOYSA-N 1 1 363.490 3.502 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162614916 937202736 /nfs/dbraw/zinc/20/27/36/937202736.db2.gz QMVKBEGUGAPRHI-QGZVFWFLSA-N 1 1 357.498 3.601 20 30 FHEDMO C[C@H](NC(=O)Nc1cccc(C#Cc2ccccc2)c1)C1=CC[N@@H+](C)CC1 ZINC000511235222 937215797 /nfs/dbraw/zinc/21/57/97/937215797.db2.gz ZPSLOGYCZGWQQI-SFHVURJKSA-N 1 1 359.473 3.858 20 30 FHEDMO CC(C)[C@H](C#N)N1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000610213171 928120445 /nfs/dbraw/zinc/12/04/45/928120445.db2.gz CIAMPHKZRWETKP-KRWDZBQOSA-N 1 1 356.297 3.538 20 30 FHEDMO N#Cc1ccc(OCC[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000064807162 928146768 /nfs/dbraw/zinc/14/67/68/928146768.db2.gz UIWXYLRPVKMVPV-NRFANRHFSA-N 1 1 354.425 3.757 20 30 FHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC2(C1)CCCCC2 ZINC000610216171 928173054 /nfs/dbraw/zinc/17/30/54/928173054.db2.gz VFJCVGZKGIAYJX-GOSISDBHSA-N 1 1 369.509 3.987 20 30 FHEDMO C[N@H+](Cc1ccc(C#N)cn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000583212157 937244666 /nfs/dbraw/zinc/24/46/66/937244666.db2.gz KVRBANDECVBJPI-INIZCTEOSA-N 1 1 358.239 3.671 20 30 FHEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000583212157 937244671 /nfs/dbraw/zinc/24/46/71/937244671.db2.gz KVRBANDECVBJPI-INIZCTEOSA-N 1 1 358.239 3.671 20 30 FHEDMO N#Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)cc1 ZINC001208863124 928805819 /nfs/dbraw/zinc/80/58/19/928805819.db2.gz XKZHIKLKRZYUAF-YADHBBJMSA-N 1 1 361.489 3.614 20 30 FHEDMO C=CCOc1ccc(C[N@@H+](CCCC)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000179611525 928861162 /nfs/dbraw/zinc/86/11/62/928861162.db2.gz FEIFBSMZOJOJKG-INIZCTEOSA-N 1 1 371.930 3.694 20 30 FHEDMO C=CCOc1ccc(C[N@H+](CCCC)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000179611525 928861175 /nfs/dbraw/zinc/86/11/75/928861175.db2.gz FEIFBSMZOJOJKG-INIZCTEOSA-N 1 1 371.930 3.694 20 30 FHEDMO FC(F)Oc1cccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000255013272 929095521 /nfs/dbraw/zinc/09/55/21/929095521.db2.gz AOVJAPGNTMHFKO-UHFFFAOYSA-N 1 1 362.376 3.675 20 30 FHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134781295 929238973 /nfs/dbraw/zinc/23/89/73/929238973.db2.gz DJOPTFIXKAMCNN-UXHICEINSA-N 1 1 354.425 3.664 20 30 FHEDMO N#Cc1cc(Cl)cc(C(=O)N2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001279106277 929309508 /nfs/dbraw/zinc/30/95/08/929309508.db2.gz IQFNLLAQJHBVHG-CALCHBBNSA-N 1 1 371.912 3.938 20 30 FHEDMO COCC[N@@H+](CCc1ccc2c(c1)OC(F)(F)O2)Cc1ccc(C#N)cc1 ZINC001167314857 929725411 /nfs/dbraw/zinc/72/54/11/929725411.db2.gz PZDUOROAUODEGO-UHFFFAOYSA-N 1 1 374.387 3.571 20 30 FHEDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000583349747 937367253 /nfs/dbraw/zinc/36/72/53/937367253.db2.gz UCTLHBQEKSBBNB-HKUYNNGSSA-N 1 1 350.462 3.730 20 30 FHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c(F)cc(C#N)cc1F ZINC000187317010 929907205 /nfs/dbraw/zinc/90/72/05/929907205.db2.gz FXVUVUUGHBNHIN-IBGZPJMESA-N 1 1 371.431 3.723 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C(C)C)C[C@@H]1C ZINC000579197659 930001571 /nfs/dbraw/zinc/00/15/71/930001571.db2.gz MEXXHHLHKKGACU-LPHOPBHVSA-N 1 1 366.513 3.707 20 30 FHEDMO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cccc(C#N)c1 ZINC000610351038 930076311 /nfs/dbraw/zinc/07/63/11/930076311.db2.gz IUFKDLFZEIXSPG-DYESRHJHSA-N 1 1 368.525 3.963 20 30 FHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)c1 ZINC000118867304 930178340 /nfs/dbraw/zinc/17/83/40/930178340.db2.gz WHJWPUXKUYYNDW-NRFANRHFSA-N 1 1 362.477 3.790 20 30 FHEDMO CSCC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1nnc2ccccn21 ZINC000580132309 930292403 /nfs/dbraw/zinc/29/24/03/930292403.db2.gz XGHQMYSXXNLYQO-ZWKOTPCHSA-N 1 1 363.490 3.672 20 30 FHEDMO COCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C)cc1C ZINC000610390267 930299375 /nfs/dbraw/zinc/29/93/75/930299375.db2.gz PDMDEJGIMDOFCK-UHFFFAOYSA-N 1 1 365.477 3.652 20 30 FHEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2)C1 ZINC000583421963 937430724 /nfs/dbraw/zinc/43/07/24/937430724.db2.gz VTYIIXWWDXRHLE-VGOFRKELSA-N 1 1 367.493 3.820 20 30 FHEDMO C[C@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000074918031 930592051 /nfs/dbraw/zinc/59/20/51/930592051.db2.gz DNWCZWQARQHWIM-SFHVURJKSA-N 1 1 368.525 3.917 20 30 FHEDMO Cc1ccc(Cc2ccccn2)cc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328726374 930650388 /nfs/dbraw/zinc/65/03/88/930650388.db2.gz ZOFKFRJJRWCQQU-TZIWHRDSSA-N 1 1 364.493 3.934 20 30 FHEDMO C=CCn1c(C2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580640200 930959650 /nfs/dbraw/zinc/95/96/50/930959650.db2.gz WBIUWZGJXUXTQV-HXUWFJFHSA-N 1 1 365.525 3.832 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000580723152 931056291 /nfs/dbraw/zinc/05/62/91/931056291.db2.gz QSZXROKCHQXRED-SJLPKXTDSA-N 1 1 355.507 3.536 20 30 FHEDMO C=CCn1c(-c2ccccc2C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000581100204 931563208 /nfs/dbraw/zinc/56/32/08/931563208.db2.gz MENCFGGVGAHVOF-UHFFFAOYSA-N 1 1 365.525 3.894 20 30 FHEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000581223331 931703420 /nfs/dbraw/zinc/70/34/20/931703420.db2.gz IRUSWFINOCEXSM-INIZCTEOSA-N 1 1 369.465 3.580 20 30 FHEDMO Cc1csc(C[C@@H]2CC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000933123666 931739059 /nfs/dbraw/zinc/73/90/59/931739059.db2.gz QWBHTNJSNLDVCA-AWEZNQCLSA-N 1 1 374.535 3.505 20 30 FHEDMO Cc1csc(C[C@@H]2CC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000933123666 931739066 /nfs/dbraw/zinc/73/90/66/931739066.db2.gz QWBHTNJSNLDVCA-AWEZNQCLSA-N 1 1 374.535 3.505 20 30 FHEDMO Cc1ccc(C#N)cc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581339816 931855984 /nfs/dbraw/zinc/85/59/84/931855984.db2.gz PNZXVJXELYQKQI-RTWAWAEBSA-N 1 1 374.488 3.853 20 30 FHEDMO CSCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000126497660 931902567 /nfs/dbraw/zinc/90/25/67/931902567.db2.gz ZQAZVTBZCDDGLI-CYBMUJFWSA-N 1 1 365.568 3.901 20 30 FHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000050960227 931948955 /nfs/dbraw/zinc/94/89/55/931948955.db2.gz DAXCEGNVLUVFCI-UHFFFAOYSA-N 1 1 357.404 3.872 20 30 FHEDMO C[C@@H]1C[C@@H](N(C)C(=O)C2(C#N)CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000933261072 931995677 /nfs/dbraw/zinc/99/56/77/931995677.db2.gz YJKAVVACSOHQGC-MJGOQNOKSA-N 1 1 371.550 3.535 20 30 FHEDMO CC[N@@H+](C[C@H](O)COc1cccc2[nH]ccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000178066262 932270642 /nfs/dbraw/zinc/27/06/42/932270642.db2.gz KUCXNZYOLFPRQY-LPHOPBHVSA-N 1 1 363.461 3.862 20 30 FHEDMO CC#CCC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000155671145 932600256 /nfs/dbraw/zinc/60/02/56/932600256.db2.gz LJMBBJNQWYWHDL-INIZCTEOSA-N 1 1 374.282 3.973 20 30 FHEDMO CC#CCC[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000155671145 932600261 /nfs/dbraw/zinc/60/02/61/932600261.db2.gz LJMBBJNQWYWHDL-INIZCTEOSA-N 1 1 374.282 3.973 20 30 FHEDMO COc1cc(C#N)ccc1CNc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000157958274 932700271 /nfs/dbraw/zinc/70/02/71/932700271.db2.gz FHXLMUFKWRDCML-IAGOWNOFSA-N 1 1 365.477 3.788 20 30 FHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000134647362 932766300 /nfs/dbraw/zinc/76/63/00/932766300.db2.gz NXJGZIVEAQXJAN-AEFFLSMTSA-N 1 1 373.497 3.705 20 30 FHEDMO Cn1c2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)cc2nc1C(F)F ZINC000328840132 932871497 /nfs/dbraw/zinc/87/14/97/932871497.db2.gz UKNBZOWWWWZSQI-AWEZNQCLSA-N 1 1 362.424 3.832 20 30 FHEDMO Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C#N)cc2C)C(C)C)c1 ZINC001167488156 932894721 /nfs/dbraw/zinc/89/47/21/932894721.db2.gz WSCDZOLPBMGXBB-NRFANRHFSA-N 1 1 352.478 3.825 20 30 FHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000083202036 932897200 /nfs/dbraw/zinc/89/72/00/932897200.db2.gz PBQVQOQKBYPSEP-MRXNPFEDSA-N 1 1 364.493 3.574 20 30 FHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000083202036 932897205 /nfs/dbraw/zinc/89/72/05/932897205.db2.gz PBQVQOQKBYPSEP-MRXNPFEDSA-N 1 1 364.493 3.574 20 30 FHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000121537841 933006241 /nfs/dbraw/zinc/00/62/41/933006241.db2.gz IYALYVIUPPJQDO-UHFFFAOYSA-N 1 1 359.473 3.670 20 30 FHEDMO CCOc1ccc(C#N)cc1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000510501718 933112209 /nfs/dbraw/zinc/11/22/09/933112209.db2.gz KXWFWELLQCCPHF-UHFFFAOYSA-N 1 1 366.465 3.601 20 30 FHEDMO C[C@@H]1C[C@H](CCNC(=O)Nc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000510675423 933396817 /nfs/dbraw/zinc/39/68/17/933396817.db2.gz ONGGIQSCKJZMCF-XLIONFOSSA-N 1 1 362.477 3.980 20 30 FHEDMO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000610584826 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362.477 3.581 20 30 FHEDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092400369 934035781 /nfs/dbraw/zinc/03/57/81/934035781.db2.gz GVPAERALIFKURI-QUCCMNQESA-N 1 1 371.525 3.886 20 30 FHEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092400367 934035845 /nfs/dbraw/zinc/03/58/45/934035845.db2.gz GVPAERALIFKURI-UYAOXDASSA-N 1 1 371.525 3.886 20 30 FHEDMO C=CCOc1ccccc1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000092645244 934120109 /nfs/dbraw/zinc/12/01/09/934120109.db2.gz SWUDGQCKHLMAIQ-UHFFFAOYSA-N 1 1 365.521 3.785 20 30 FHEDMO C=CCOc1ccccc1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645244 934120114 /nfs/dbraw/zinc/12/01/14/934120114.db2.gz SWUDGQCKHLMAIQ-UHFFFAOYSA-N 1 1 365.521 3.785 20 30 FHEDMO CCCN(C(=O)NCC1(CC#N)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000431194097 934147836 /nfs/dbraw/zinc/14/78/36/934147836.db2.gz QXVAGYRKQOBSTE-HXUWFJFHSA-N 1 1 368.525 3.766 20 30 FHEDMO N#CCCCOc1cccc(C[NH+]2CCN(Cc3ccsc3)CC2)c1 ZINC000535781186 934370036 /nfs/dbraw/zinc/37/00/36/934370036.db2.gz GKHSASSVQBBUMF-UHFFFAOYSA-N 1 1 355.507 3.748 20 30 FHEDMO N#CCCCOc1cccc(CN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000535781186 934370047 /nfs/dbraw/zinc/37/00/47/934370047.db2.gz GKHSASSVQBBUMF-UHFFFAOYSA-N 1 1 355.507 3.748 20 30 FHEDMO CCc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 ZINC000535788447 934378625 /nfs/dbraw/zinc/37/86/25/934378625.db2.gz DHFKJJMHZUORGE-UHFFFAOYSA-N 1 1 368.462 3.752 20 30 FHEDMO Cc1cc(C)cc(C2=CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000535793443 934386017 /nfs/dbraw/zinc/38/60/17/934386017.db2.gz ZRAYNPCBFSFODL-PGRDOPGGSA-N 1 1 353.510 3.836 20 30 FHEDMO Cc1cc(C)cc(C2=CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000535793443 934386024 /nfs/dbraw/zinc/38/60/24/934386024.db2.gz ZRAYNPCBFSFODL-PGRDOPGGSA-N 1 1 353.510 3.836 20 30 FHEDMO C[C@H](c1ccccc1)[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CC1 ZINC000610968452 934663617 /nfs/dbraw/zinc/66/36/17/934663617.db2.gz WAINMUPNMAPJIN-DYESRHJHSA-N 1 1 350.462 3.718 20 30 FHEDMO CSC[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000135448784 934683865 /nfs/dbraw/zinc/68/38/65/934683865.db2.gz QIXSGSDHTLBQDU-ZDUSSCGKSA-N 1 1 363.552 3.655 20 30 FHEDMO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CCC(=O)OCC)CC2)c1C ZINC000610996186 934736549 /nfs/dbraw/zinc/73/65/49/934736549.db2.gz QKIWGEOTQJMBCN-UHFFFAOYSA-N 1 1 360.498 3.529 20 30 FHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccnc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000610993130 934737965 /nfs/dbraw/zinc/73/79/65/934737965.db2.gz FFFOKMCKUZLMDZ-KHDMTIDOSA-N 1 1 368.525 3.637 20 30 FHEDMO COc1ccc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1C#N ZINC000610994283 934738963 /nfs/dbraw/zinc/73/89/63/934738963.db2.gz BUEXNRYOGYJSSL-NRFANRHFSA-N 1 1 350.462 3.791 20 30 FHEDMO C=CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000181551440 934740746 /nfs/dbraw/zinc/74/07/46/934740746.db2.gz RCTLLIQUATXPHF-SJLPKXTDSA-N 1 1 372.509 3.643 20 30 FHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)ccn1 ZINC000610995157 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ZINC000551516912 935301645 /nfs/dbraw/zinc/30/16/45/935301645.db2.gz VUQJWYCNOZESSE-OAQYLSRUSA-N 1 1 365.452 3.510 20 30 FHEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000051449318 935304549 /nfs/dbraw/zinc/30/45/49/935304549.db2.gz XFBYNZSJVDEUPU-UWJYYQICSA-N 1 1 370.880 3.983 20 30 FHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000551601683 935319558 /nfs/dbraw/zinc/31/95/58/935319558.db2.gz BRKQZHSSZZYDCK-NRFANRHFSA-N 1 1 373.504 3.596 20 30 FHEDMO COc1ccccc1N1CC[C@@H](C)[N@@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000375676170 935367442 /nfs/dbraw/zinc/36/74/42/935367442.db2.gz NWUMHUVGTQJPHW-LJQANCHMSA-N 1 1 371.525 3.696 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000178548046 935392412 /nfs/dbraw/zinc/39/24/12/935392412.db2.gz VNSVKONZYQFKBH-UHFFFAOYSA-N 1 1 366.440 3.746 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000178548046 935392418 /nfs/dbraw/zinc/39/24/18/935392418.db2.gz VNSVKONZYQFKBH-UHFFFAOYSA-N 1 1 366.440 3.746 20 30 FHEDMO CC(C)Sc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1 ZINC000511102386 935563963 /nfs/dbraw/zinc/56/39/63/935563963.db2.gz SMJSOMGJYLBPHD-UHFFFAOYSA-N 1 1 352.507 3.776 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000178572162 935592975 /nfs/dbraw/zinc/59/29/75/935592975.db2.gz UPGKOXWYENGTTL-INIZCTEOSA-N 1 1 368.506 3.962 20 30 FHEDMO CC(C)C[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478429452 935631694 /nfs/dbraw/zinc/63/16/94/935631694.db2.gz DQBKDLHJVCOMJR-UHFFFAOYSA-N 1 1 370.518 3.533 20 30 FHEDMO Cc1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)c(N2CCCC2)[nH+]1 ZINC000611598220 935637391 /nfs/dbraw/zinc/63/73/91/935637391.db2.gz VYUXEMBQUJCOJZ-UHFFFAOYSA-N 1 1 369.856 3.837 20 30 FHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)Cc2cc(C#N)cs2)C1 ZINC000892260720 935685286 /nfs/dbraw/zinc/68/52/86/935685286.db2.gz QMBSEYKONWQTNZ-YJBOKZPZSA-N 1 1 368.506 3.597 20 30 FHEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000511124704 935700229 /nfs/dbraw/zinc/70/02/29/935700229.db2.gz UFGQPNHXNGZHQY-DOTOQJQBSA-N 1 1 352.400 3.672 20 30 FHEDMO C=CCc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)cc(OC)c1OC ZINC000152687461 935775390 /nfs/dbraw/zinc/77/53/90/935775390.db2.gz KXKXKORCKHIFSR-INIZCTEOSA-N 1 1 372.509 3.521 20 30 FHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511145228 935785798 /nfs/dbraw/zinc/78/57/98/935785798.db2.gz LSVOOYRTBNSJFN-MRXNPFEDSA-N 1 1 367.415 3.647 20 30 FHEDMO N#Cc1csc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000178602469 935814522 /nfs/dbraw/zinc/81/45/22/935814522.db2.gz YBHVTQGKDXXDDS-OALUTQOASA-N 1 1 365.502 3.746 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000472232586 935844908 /nfs/dbraw/zinc/84/49/08/935844908.db2.gz NAAXKRFABRHLIL-ZWKOTPCHSA-N 1 1 366.509 3.542 20 30 FHEDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000562090597 935857359 /nfs/dbraw/zinc/85/73/59/935857359.db2.gz AXSCPYWAENXOLS-MSOLQXFVSA-N 1 1 372.831 3.918 20 30 FHEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000562090597 935857363 /nfs/dbraw/zinc/85/73/63/935857363.db2.gz AXSCPYWAENXOLS-MSOLQXFVSA-N 1 1 372.831 3.918 20 30 FHEDMO C=CC[C@H]1[N@H+](Cc2csc(N(CCOC)C(C)=O)n2)CCCC1(C)C ZINC000277757444 935890550 /nfs/dbraw/zinc/89/05/50/935890550.db2.gz LYZFBWGHBQCOBZ-QGZVFWFLSA-N 1 1 365.543 3.709 20 30 FHEDMO C=CC[C@H]1[N@@H+](Cc2csc(N(CCOC)C(C)=O)n2)CCCC1(C)C ZINC000277757444 935890554 /nfs/dbraw/zinc/89/05/54/935890554.db2.gz LYZFBWGHBQCOBZ-QGZVFWFLSA-N 1 1 365.543 3.709 20 30 FHEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000684966143 935914588 /nfs/dbraw/zinc/91/45/88/935914588.db2.gz BHHRNARKVZEGIM-HSZRJFAPSA-N 1 1 373.500 3.908 20 30 FHEDMO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000472237712 935916310 /nfs/dbraw/zinc/91/63/10/935916310.db2.gz GRQOPZZTWYHDDR-IRLDBZIGSA-N 1 1 361.489 3.690 20 30 FHEDMO N#Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000166158840 935980172 /nfs/dbraw/zinc/98/01/72/935980172.db2.gz QVFJIMOMUANUBL-AWEZNQCLSA-N 1 1 356.451 3.852 20 30 FHEDMO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)c(C)c1 ZINC000472251149 936025285 /nfs/dbraw/zinc/02/52/85/936025285.db2.gz RUAFLRLFUPYKHF-LJQANCHMSA-N 1 1 371.525 3.545 20 30 FHEDMO CCN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000582733696 936026911 /nfs/dbraw/zinc/02/69/11/936026911.db2.gz AFGMUIMILGOAJA-AVRDEDQJSA-N 1 1 361.489 3.990 20 30 FHEDMO COCC[N@@H+](C)CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838277 936200602 /nfs/dbraw/zinc/20/06/02/936200602.db2.gz BYDQDIJHQDFDML-XZOQPEGZSA-N 1 1 363.505 3.845 20 30 FHEDMO COCCN(C)CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838277 936200606 /nfs/dbraw/zinc/20/06/06/936200606.db2.gz BYDQDIJHQDFDML-XZOQPEGZSA-N 1 1 363.505 3.845 20 30 FHEDMO C[C@@H]1CCN(c2c(C#N)nnc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000078689663 936242360 /nfs/dbraw/zinc/24/23/60/936242360.db2.gz WGCKCWMVQVBAEV-QGZVFWFLSA-N 1 1 357.461 3.602 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000245696810 938311421 /nfs/dbraw/zinc/31/14/21/938311421.db2.gz BDWZIRQQVOUJLW-BZUAXINKSA-N 1 1 358.511 3.639 20 30 FHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000052455637 938312387 /nfs/dbraw/zinc/31/23/87/938312387.db2.gz KZYFDEOZSKUDQM-HXUWFJFHSA-N 1 1 351.425 3.909 20 30 FHEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000052455637 938312389 /nfs/dbraw/zinc/31/23/89/938312389.db2.gz KZYFDEOZSKUDQM-HXUWFJFHSA-N 1 1 351.425 3.909 20 30 FHEDMO C=CCC[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000278395312 938383554 /nfs/dbraw/zinc/38/35/54/938383554.db2.gz AYUGFOSPGDYOQE-GHTZIAJQSA-N 1 1 371.525 3.589 20 30 FHEDMO CC#CCN(C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000458660370 938387922 /nfs/dbraw/zinc/38/79/22/938387922.db2.gz SURWSODSZFHUPT-UHFFFAOYSA-N 1 1 368.308 3.623 20 30 FHEDMO C=C(C)[C@@H](NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000458660414 938388203 /nfs/dbraw/zinc/38/82/03/938388203.db2.gz FPRGRIBNESPFDS-AUUYWEPGSA-N 1 1 363.452 3.708 20 30 FHEDMO Cc1cnc(CC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 ZINC000157651401 938396189 /nfs/dbraw/zinc/39/61/89/938396189.db2.gz GGNQBLVSYVRMDK-QGZVFWFLSA-N 1 1 370.522 3.570 20 30 FHEDMO Cc1cnc(CC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 ZINC000157651401 938396190 /nfs/dbraw/zinc/39/61/90/938396190.db2.gz GGNQBLVSYVRMDK-QGZVFWFLSA-N 1 1 370.522 3.570 20 30 FHEDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000052580710 938407355 /nfs/dbraw/zinc/40/73/55/938407355.db2.gz YIJCHVZDNHWBCL-ZDUSSCGKSA-N 1 1 350.447 3.627 20 30 FHEDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000052580710 938407356 /nfs/dbraw/zinc/40/73/56/938407356.db2.gz YIJCHVZDNHWBCL-ZDUSSCGKSA-N 1 1 350.447 3.627 20 30 FHEDMO C[C@@H]1C[C@H](NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[N@H+]1C ZINC000329501894 938452478 /nfs/dbraw/zinc/45/24/78/938452478.db2.gz AHZNXHVDXWKRHQ-TZMCWYRMSA-N 1 1 373.478 3.521 20 30 FHEDMO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536193455 938543604 /nfs/dbraw/zinc/54/36/04/938543604.db2.gz VGCXEJZRHSXPTQ-FGZHOGPDSA-N 1 1 363.505 3.872 20 30 FHEDMO CC[N@@H+](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CC1 ZINC000151512724 938558870 /nfs/dbraw/zinc/55/88/70/938558870.db2.gz AIFCWNDRFQZSIF-UHFFFAOYSA-N 1 1 363.461 3.754 20 30 FHEDMO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000329653923 938579901 /nfs/dbraw/zinc/57/99/01/938579901.db2.gz LLLBRLAOXSWLEK-JAXLGGSGSA-N 1 1 366.509 3.581 20 30 FHEDMO C=CC[N@H+](CCCc1cnccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000584140070 938612956 /nfs/dbraw/zinc/61/29/56/938612956.db2.gz PGTAMHPEEFSAAF-SFHVURJKSA-N 1 1 362.481 3.548 20 30 FHEDMO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc1-c1cccnc1 ZINC000159351971 938654690 /nfs/dbraw/zinc/65/46/90/938654690.db2.gz DGVGXDHXRNLNRI-RDJZCZTQSA-N 1 1 355.511 3.884 20 30 FHEDMO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)nc1-c1cccnc1 ZINC000159351971 938654694 /nfs/dbraw/zinc/65/46/94/938654694.db2.gz DGVGXDHXRNLNRI-RDJZCZTQSA-N 1 1 355.511 3.884 20 30 FHEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000278740231 938714828 /nfs/dbraw/zinc/71/48/28/938714828.db2.gz IREMTTVSQLLYMV-NHCUHLMSSA-N 1 1 368.477 3.509 20 30 FHEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000278740231 938714830 /nfs/dbraw/zinc/71/48/30/938714830.db2.gz IREMTTVSQLLYMV-NHCUHLMSSA-N 1 1 368.477 3.509 20 30 FHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc2c(c1)sc(=O)n2C ZINC000584403070 938818069 /nfs/dbraw/zinc/81/80/69/938818069.db2.gz LSKQCGZVLSLMGO-UHFFFAOYSA-N 1 1 370.522 3.956 20 30 FHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc2c(c1)sc(=O)n2C ZINC000584403070 938818071 /nfs/dbraw/zinc/81/80/71/938818071.db2.gz LSKQCGZVLSLMGO-UHFFFAOYSA-N 1 1 370.522 3.956 20 30 FHEDMO Cc1nc(C[NH+]2CCC(CNc3nc(Cl)c(C#N)s3)CC2)oc1C ZINC000278760695 938826960 /nfs/dbraw/zinc/82/69/60/938826960.db2.gz SVIZGYZFXCYSAY-UHFFFAOYSA-N 1 1 365.890 3.597 20 30 FHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000158845197 938891407 /nfs/dbraw/zinc/89/14/07/938891407.db2.gz AZWJVCHDNMDIGL-IBGZPJMESA-N 1 1 363.461 3.691 20 30 FHEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458798347 938936100 /nfs/dbraw/zinc/93/61/00/938936100.db2.gz HVVHSCKUKACXNT-UXHICEINSA-N 1 1 356.514 3.937 20 30 FHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000198103386 938961025 /nfs/dbraw/zinc/96/10/25/938961025.db2.gz AYHWMDURHOLSPP-QGZVFWFLSA-N 1 1 363.461 3.566 20 30 FHEDMO Cc1c(Cl)cnc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C#N ZINC000544069294 938991594 /nfs/dbraw/zinc/99/15/94/938991594.db2.gz SXAZBNSWBPKDIU-VMPITWQZSA-N 1 1 352.869 3.751 20 30 FHEDMO C=CCn1c(CC2CCCC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548840000 938993877 /nfs/dbraw/zinc/99/38/77/938993877.db2.gz XQCMHNIONHBNOI-UHFFFAOYSA-N 1 1 359.562 3.753 20 30 FHEDMO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000685550876 938999084 /nfs/dbraw/zinc/99/90/84/938999084.db2.gz MBTDXSOYSGJSBX-VQIMIIECSA-N 1 1 371.504 3.745 20 30 FHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1ccnn1C ZINC000507402377 945222571 /nfs/dbraw/zinc/22/25/71/945222571.db2.gz KVWAEIONFJGJAF-UHFFFAOYSA-N 1 1 360.461 3.607 20 30 FHEDMO N#Cc1ccc(CC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612131628 939118385 /nfs/dbraw/zinc/11/83/85/939118385.db2.gz GIGGEPREGZMAJG-YTFSRNRJSA-N 1 1 373.500 3.518 20 30 FHEDMO N#CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612132474 939123908 /nfs/dbraw/zinc/12/39/08/939123908.db2.gz TXDITEPFWMFRBH-XPWALMASSA-N 1 1 373.500 3.783 20 30 FHEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(F)c3C#N)cc2)C1 ZINC000427256464 945232739 /nfs/dbraw/zinc/23/27/39/945232739.db2.gz KBPLDDXAVZLNAX-HNNXBMFYSA-N 1 1 367.424 3.670 20 30 FHEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000511839477 945256604 /nfs/dbraw/zinc/25/66/04/945256604.db2.gz VMELNHCBZOVVHO-JMJGKCIBSA-N 1 1 362.473 3.566 20 30 FHEDMO C=CCOc1cccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 ZINC000437354671 945266186 /nfs/dbraw/zinc/26/61/86/945266186.db2.gz TUPFYLAZCZZDDN-DYESRHJHSA-N 1 1 373.518 3.824 20 30 FHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1 ZINC000507491306 945276832 /nfs/dbraw/zinc/27/68/32/945276832.db2.gz LBLNHIARPFTPHQ-UHFFFAOYSA-N 1 1 367.468 3.743 20 30 FHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2C)cc1OCCCC#N ZINC000091967777 939886312 /nfs/dbraw/zinc/88/63/12/939886312.db2.gz ZOYIOIHDYVCPIQ-LJQANCHMSA-N 1 1 368.481 3.757 20 30 FHEDMO CC(C)c1nccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000375797009 939903791 /nfs/dbraw/zinc/90/37/91/939903791.db2.gz TXNIJSRIXYMPQM-AEFFLSMTSA-N 1 1 365.481 3.542 20 30 FHEDMO CC(C)c1nccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000375797009 939903794 /nfs/dbraw/zinc/90/37/94/939903794.db2.gz TXNIJSRIXYMPQM-AEFFLSMTSA-N 1 1 365.481 3.542 20 30 FHEDMO CC(C)c1[nH+]ccn1[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000375797009 939903797 /nfs/dbraw/zinc/90/37/97/939903797.db2.gz TXNIJSRIXYMPQM-AEFFLSMTSA-N 1 1 365.481 3.542 20 30 FHEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000365171163 940076145 /nfs/dbraw/zinc/07/61/45/940076145.db2.gz PCIZRVYHBYKLJE-DENIHFKCSA-N 1 1 371.444 3.557 20 30 FHEDMO Cc1ccnc(C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)n1 ZINC000365190909 940079867 /nfs/dbraw/zinc/07/98/67/940079867.db2.gz PRRTVEAJKVLNMF-UHFFFAOYSA-N 1 1 371.282 3.799 20 30 FHEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000612474046 940086881 /nfs/dbraw/zinc/08/68/81/940086881.db2.gz KEYDNTPELPEFIT-HNNXBMFYSA-N 1 1 353.853 3.558 20 30 FHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000612474046 940086884 /nfs/dbraw/zinc/08/68/84/940086884.db2.gz KEYDNTPELPEFIT-HNNXBMFYSA-N 1 1 353.853 3.558 20 30 FHEDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1ccc(C#N)cc1 ZINC000548932207 940088745 /nfs/dbraw/zinc/08/87/45/940088745.db2.gz UZKJYGZIJIWQJB-CYBMUJFWSA-N 1 1 351.841 3.858 20 30 FHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1c(C)nn(C)c1C ZINC000612488707 940097615 /nfs/dbraw/zinc/09/76/15/940097615.db2.gz MIEYJPDRZKNLRO-INIZCTEOSA-N 1 1 361.287 3.912 20 30 FHEDMO COCCn1ncc2c1[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1Cl)CCC2 ZINC000365301102 940117335 /nfs/dbraw/zinc/11/73/35/940117335.db2.gz WVCFGWURDMDXMY-SCLBCKFNSA-N 1 1 358.873 3.783 20 30 FHEDMO COc1ccc(C[N@@H+](Cc2cc(C#N)ccc2F)[C@H](CO)C(C)C)cc1 ZINC000179929042 940132102 /nfs/dbraw/zinc/13/21/02/940132102.db2.gz CKLPTOLBQHFLEI-OAQYLSRUSA-N 1 1 356.441 3.725 20 30 FHEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000612588045 940164783 /nfs/dbraw/zinc/16/47/83/940164783.db2.gz NLBPDGCTQDAZFD-KRWDZBQOSA-N 1 1 367.880 3.854 20 30 FHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000413835869 940173744 /nfs/dbraw/zinc/17/37/44/940173744.db2.gz OGWVPKUJXOSVRQ-AZUAARDMSA-N 1 1 355.526 3.690 20 30 FHEDMO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(F)c1F ZINC000180004822 940224548 /nfs/dbraw/zinc/22/45/48/940224548.db2.gz POLIHDGEJHCDAH-FZKQIMNGSA-N 1 1 355.388 3.683 20 30 FHEDMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180030920 940275543 /nfs/dbraw/zinc/27/55/43/940275543.db2.gz IPLHMNNMPHUZMA-MRXNPFEDSA-N 1 1 364.445 3.663 20 30 FHEDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000612828389 940299680 /nfs/dbraw/zinc/29/96/80/940299680.db2.gz LLEXGZVBBVIKKC-KRWDZBQOSA-N 1 1 353.491 3.611 20 30 FHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466920393 940299948 /nfs/dbraw/zinc/29/99/48/940299948.db2.gz PKMVALFPGGJCCB-WFASDCNBSA-N 1 1 353.919 3.582 20 30 FHEDMO C[C@H]1C[C@H](Nc2c(C#N)cnc3c(Br)cccc32)C[N@H+]1C1CC1 ZINC000584502659 940303022 /nfs/dbraw/zinc/30/30/22/940303022.db2.gz POKKUGBOAPZKFB-AAEUAGOBSA-N 1 1 371.282 3.906 20 30 FHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000298790988 945312055 /nfs/dbraw/zinc/31/20/55/945312055.db2.gz YISDOCWRWLVWTH-STQMWFEESA-N 1 1 351.376 3.620 20 30 FHEDMO O=C(Nc1cccc(C#Cc2cccs2)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000612906394 940333350 /nfs/dbraw/zinc/33/33/50/940333350.db2.gz XPDFFSFTPUQYEJ-PMACEKPBSA-N 1 1 365.502 3.896 20 30 FHEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1Cl ZINC000448364210 940451405 /nfs/dbraw/zinc/45/14/05/940451405.db2.gz SYZFLYGLEOFRHL-YZVOILCLSA-N 1 1 351.874 3.673 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1Cl ZINC000448364210 940451406 /nfs/dbraw/zinc/45/14/06/940451406.db2.gz SYZFLYGLEOFRHL-YZVOILCLSA-N 1 1 351.874 3.673 20 30 FHEDMO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)CCc1ccccc1 ZINC000066374171 940470665 /nfs/dbraw/zinc/47/06/65/940470665.db2.gz WOTDYCJDLSDLHE-UHFFFAOYSA-N 1 1 353.466 3.979 20 30 FHEDMO CCc1cccc(CC)c1NC(=O)CO[NH+]=C(N)CCc1ccccc1 ZINC000066374216 940470675 /nfs/dbraw/zinc/47/06/75/940470675.db2.gz ZCDKSASTFCVNKJ-UHFFFAOYSA-N 1 1 353.466 3.672 20 30 FHEDMO N#Cc1cc2c(nc1N1CCC[N@@H+](CCCc3ccccc3)CC1)CCC2 ZINC000506786224 945323491 /nfs/dbraw/zinc/32/34/91/945323491.db2.gz KBXSIVYSNLJMKL-UHFFFAOYSA-N 1 1 360.505 3.587 20 30 FHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1C#N ZINC000613179272 940480112 /nfs/dbraw/zinc/48/01/12/940480112.db2.gz RSXMVLJKSWVGMH-IBGZPJMESA-N 1 1 357.461 3.512 20 30 FHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1C#N ZINC000613179272 940480114 /nfs/dbraw/zinc/48/01/14/940480114.db2.gz RSXMVLJKSWVGMH-IBGZPJMESA-N 1 1 357.461 3.512 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)cc1OC ZINC000511481792 940603455 /nfs/dbraw/zinc/60/34/55/940603455.db2.gz ZKVRHAQJFMBAMS-HKUYNNGSSA-N 1 1 374.525 3.777 20 30 FHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000581828710 940620049 /nfs/dbraw/zinc/62/00/49/940620049.db2.gz NBAYOVDMIKHHJB-PMACEKPBSA-N 1 1 360.461 3.884 20 30 FHEDMO CC[C@@](C)([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1nccs1 ZINC000173498840 940630419 /nfs/dbraw/zinc/63/04/19/940630419.db2.gz WCIYNFIYTLYKPQ-HXUWFJFHSA-N 1 1 370.522 3.922 20 30 FHEDMO C[C@H](c1ccccc1F)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582235116 940656201 /nfs/dbraw/zinc/65/62/01/940656201.db2.gz WRVFHGAFUVAESN-QRWLVFNGSA-N 1 1 351.425 3.886 20 30 FHEDMO C[C@H](c1ccccc1F)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582235116 940656203 /nfs/dbraw/zinc/65/62/03/940656203.db2.gz WRVFHGAFUVAESN-QRWLVFNGSA-N 1 1 351.425 3.886 20 30 FHEDMO Cc1csc(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1C#N ZINC000582367990 940661879 /nfs/dbraw/zinc/66/18/79/940661879.db2.gz QELWSUMRTFMHOS-UHFFFAOYSA-N 1 1 356.451 3.707 20 30 FHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330092431 945353629 /nfs/dbraw/zinc/35/36/29/945353629.db2.gz YRENBZJYCOXLGU-GUDVDZBRSA-N 1 1 369.509 3.953 20 30 FHEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1(C)C ZINC000180250979 940875990 /nfs/dbraw/zinc/87/59/90/940875990.db2.gz ADIWRPRZCYBMHN-WIYYLYMNSA-N 1 1 352.482 3.594 20 30 FHEDMO COc1c(C)cc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1C ZINC000507602310 945363977 /nfs/dbraw/zinc/36/39/77/945363977.db2.gz UDBYYVZZGCZYLZ-HNNXBMFYSA-N 1 1 369.465 3.853 20 30 FHEDMO COc1c(C)cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1C ZINC000507602310 945363989 /nfs/dbraw/zinc/36/39/89/945363989.db2.gz UDBYYVZZGCZYLZ-HNNXBMFYSA-N 1 1 369.465 3.853 20 30 FHEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(OC(C)(C)C)CC2)cc1C ZINC000162570873 941043752 /nfs/dbraw/zinc/04/37/52/941043752.db2.gz AXSZHTUAOIOPMA-UHFFFAOYSA-N 1 1 371.525 3.830 20 30 FHEDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000376487151 941078106 /nfs/dbraw/zinc/07/81/06/941078106.db2.gz VQHGQABILOWYGI-LLVKDONJSA-N 1 1 371.366 3.641 20 30 FHEDMO Cn1cc[nH+]c1[C@H]1CCCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000376487152 941078146 /nfs/dbraw/zinc/07/81/46/941078146.db2.gz VQHGQABILOWYGI-NSHDSACASA-N 1 1 371.366 3.641 20 30 FHEDMO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ncc(Br)s1 ZINC000181156510 941111242 /nfs/dbraw/zinc/11/12/42/941111242.db2.gz ILXWFYGBZRPSNV-SNVBAGLBSA-N 1 1 352.257 3.507 20 30 FHEDMO C=CCCCCC[N@@H+](C)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000177267230 941112592 /nfs/dbraw/zinc/11/25/92/941112592.db2.gz LZMZWYIERWSIJL-UHFFFAOYSA-N 1 1 360.527 3.699 20 30 FHEDMO C=CCCCCC[N@H+](C)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000177267230 941112594 /nfs/dbraw/zinc/11/25/94/941112594.db2.gz LZMZWYIERWSIJL-UHFFFAOYSA-N 1 1 360.527 3.699 20 30 FHEDMO C=CCc1cc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c(O)c(OC)c1 ZINC000782853565 941119568 /nfs/dbraw/zinc/11/95/68/941119568.db2.gz SNPXDMCNZSMEPK-KRWDZBQOSA-N 1 1 372.440 3.707 20 30 FHEDMO C[C@]1(CNc2ccc([N+](=O)[O-])c(C#N)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311382644 941268571 /nfs/dbraw/zinc/26/85/71/941268571.db2.gz BQBUNRKOAGBJSC-HXUWFJFHSA-N 1 1 350.422 3.791 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000178587408 941282464 /nfs/dbraw/zinc/28/24/64/941282464.db2.gz YSWQCDVADQQYRS-LJQANCHMSA-N 1 1 362.477 3.853 20 30 FHEDMO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc(F)c(C#N)c1 ZINC000189949774 941312563 /nfs/dbraw/zinc/31/25/63/941312563.db2.gz PYALCUBUGBFZOY-IAGOWNOFSA-N 1 1 351.469 3.944 20 30 FHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000189949774 941312567 /nfs/dbraw/zinc/31/25/67/941312567.db2.gz PYALCUBUGBFZOY-IAGOWNOFSA-N 1 1 351.469 3.944 20 30 FHEDMO C[C@H]([NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1)C(=O)NC(C)(C)C ZINC000376840080 941447544 /nfs/dbraw/zinc/44/75/44/941447544.db2.gz BKFCGYGZXBVSCK-STQMWFEESA-N 1 1 356.495 3.636 20 30 FHEDMO C=CCC[C@H](O)C[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000472757488 941689712 /nfs/dbraw/zinc/68/97/12/941689712.db2.gz VMPYQFJVJKJGKQ-SFHVURJKSA-N 1 1 356.432 3.540 20 30 FHEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC000729267238 941705789 /nfs/dbraw/zinc/70/57/89/941705789.db2.gz NCFZUSSVJGRSJR-FQEVSTJZSA-N 1 1 352.434 3.943 20 30 FHEDMO N#CC1(CCC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000377758819 941965340 /nfs/dbraw/zinc/96/53/40/941965340.db2.gz IRYHSBJPSVQZRF-YADHBBJMSA-N 1 1 367.537 3.541 20 30 FHEDMO N#CC1(CCC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000377758819 941965342 /nfs/dbraw/zinc/96/53/42/941965342.db2.gz IRYHSBJPSVQZRF-YADHBBJMSA-N 1 1 367.537 3.541 20 30 FHEDMO N#CC1(CCC[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)CCOCC1 ZINC000377758819 941965346 /nfs/dbraw/zinc/96/53/46/941965346.db2.gz IRYHSBJPSVQZRF-YADHBBJMSA-N 1 1 367.537 3.541 20 30 FHEDMO N#CC1(CCC[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)CCOCC1 ZINC000377758819 941965348 /nfs/dbraw/zinc/96/53/48/941965348.db2.gz IRYHSBJPSVQZRF-YADHBBJMSA-N 1 1 367.537 3.541 20 30 FHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000413824720 941965835 /nfs/dbraw/zinc/96/58/35/941965835.db2.gz DGWIUTABZMONAT-VWPQPMDRSA-N 1 1 367.537 3.832 20 30 FHEDMO CCCCCCCC[N@H+]1CC[C@]2(CCC[C@H]2C(=O)N(C)CCOC)C1 ZINC001279870357 941966825 /nfs/dbraw/zinc/96/68/25/941966825.db2.gz CTCKEKAAYJBXKM-PZJWPPBQSA-N 1 1 352.563 3.944 20 30 FHEDMO C=CCOCC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549330713 941975232 /nfs/dbraw/zinc/97/52/32/941975232.db2.gz ZXOMOTADEWSEMJ-IVZBYUQCSA-N 1 1 362.901 3.573 20 30 FHEDMO C[C@@H]1CC(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)C1 ZINC000182936873 942026711 /nfs/dbraw/zinc/02/67/11/942026711.db2.gz DWHDMQSQSWLECQ-ROUUACIJSA-N 1 1 353.510 3.665 20 30 FHEDMO C[C@@H]1CC(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)C1 ZINC000182936873 942026714 /nfs/dbraw/zinc/02/67/14/942026714.db2.gz DWHDMQSQSWLECQ-ROUUACIJSA-N 1 1 353.510 3.665 20 30 FHEDMO C[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000549366087 942059265 /nfs/dbraw/zinc/05/92/65/942059265.db2.gz IVJMSWBXWLOEKU-PWSUYJOCSA-N 1 1 359.779 3.921 20 30 FHEDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000549366087 942059272 /nfs/dbraw/zinc/05/92/72/942059272.db2.gz IVJMSWBXWLOEKU-PWSUYJOCSA-N 1 1 359.779 3.921 20 30 FHEDMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000377970745 942108325 /nfs/dbraw/zinc/10/83/25/942108325.db2.gz SRQCRYTXYJUBHQ-VBQJREDUSA-N 1 1 368.506 3.589 20 30 FHEDMO CC(C)[N@@H+]1CC[C@@H](Nc2cncc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420598110 942122849 /nfs/dbraw/zinc/12/28/49/942122849.db2.gz BONDDUFWTVYNHX-SJLPKXTDSA-N 1 1 359.836 3.777 20 30 FHEDMO CC(C)[N@H+]1CC[C@@H](Nc2cncc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420598110 942122853 /nfs/dbraw/zinc/12/28/53/942122853.db2.gz BONDDUFWTVYNHX-SJLPKXTDSA-N 1 1 359.836 3.777 20 30 FHEDMO CO[C@]1(C)CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000280577243 942206189 /nfs/dbraw/zinc/20/61/89/942206189.db2.gz SLFHNBWKESPFLM-OAQYLSRUSA-N 1 1 353.466 3.629 20 30 FHEDMO N#Cc1ccc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000312030125 942217000 /nfs/dbraw/zinc/21/70/00/942217000.db2.gz XLRRHTMTJGEYIL-GOSISDBHSA-N 1 1 350.422 3.791 20 30 FHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(CN2CCOCC2)c1 ZINC000420904178 942246256 /nfs/dbraw/zinc/24/62/56/942246256.db2.gz OYPNJKALWYXQLZ-UHFFFAOYSA-N 1 1 361.489 3.579 20 30 FHEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000416102300 942348006 /nfs/dbraw/zinc/34/80/06/942348006.db2.gz ODLCSKHROOXZCT-FGZHOGPDSA-N 1 1 359.473 3.716 20 30 FHEDMO COc1cc(Br)c(C[NH2+]Cc2ccc(C#N)cc2)cc1OC ZINC000237189099 942433350 /nfs/dbraw/zinc/43/33/50/942433350.db2.gz UEEKQSPERMFBGI-UHFFFAOYSA-N 1 1 361.239 3.628 20 30 FHEDMO CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000425001064 942481303 /nfs/dbraw/zinc/48/13/03/942481303.db2.gz CUCBNYSRKWIGRW-RBBKRZOGSA-N 1 1 373.500 3.834 20 30 FHEDMO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H](C)O1 ZINC000421323574 942482099 /nfs/dbraw/zinc/48/20/99/942482099.db2.gz ILIFUWNRHRYNEX-IAGOWNOFSA-N 1 1 367.468 3.596 20 30 FHEDMO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502505281 942482849 /nfs/dbraw/zinc/48/28/49/942482849.db2.gz NHEHPVQPGZHHDS-UHFFFAOYSA-N 1 1 373.456 3.879 20 30 FHEDMO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502510888 942488057 /nfs/dbraw/zinc/48/80/57/942488057.db2.gz MLITXARUAIMSQL-GOSISDBHSA-N 1 1 371.484 3.621 20 30 FHEDMO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502510888 942488060 /nfs/dbraw/zinc/48/80/60/942488060.db2.gz MLITXARUAIMSQL-GOSISDBHSA-N 1 1 371.484 3.621 20 30 FHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3cccc(F)c3C2)cc1Cl ZINC000502493221 942488582 /nfs/dbraw/zinc/48/85/82/942488582.db2.gz CVCKBSNSFKKCCD-UHFFFAOYSA-N 1 1 357.816 3.738 20 30 FHEDMO C[C@H](CNC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502512312 942488968 /nfs/dbraw/zinc/48/89/68/942488968.db2.gz SKEQHYYIURHLKI-MOPGFXCFSA-N 1 1 373.500 3.956 20 30 FHEDMO C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502512312 942488972 /nfs/dbraw/zinc/48/89/72/942488972.db2.gz SKEQHYYIURHLKI-MOPGFXCFSA-N 1 1 373.500 3.956 20 30 FHEDMO N#CC[C@@H](CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000425013525 942500163 /nfs/dbraw/zinc/50/01/63/942500163.db2.gz RAEGKVGBZRQNEW-RJGXRXQPSA-N 1 1 373.500 3.807 20 30 FHEDMO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)c1cccc(C#N)c1 ZINC000425050181 942521754 /nfs/dbraw/zinc/52/17/54/942521754.db2.gz YGQRBBFHBMMLCB-CYBMUJFWSA-N 1 1 368.506 3.914 20 30 FHEDMO Cc1cccc([C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccn2)c1 ZINC000366937003 942550377 /nfs/dbraw/zinc/55/03/77/942550377.db2.gz YJLKZCOMGIAEOI-JOCHJYFZSA-N 1 1 353.429 3.789 20 30 FHEDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000378323449 942589077 /nfs/dbraw/zinc/58/90/77/942589077.db2.gz KUWBYNZNMPYKFR-RBUKOAKNSA-N 1 1 353.853 3.581 20 30 FHEDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000378323449 942589083 /nfs/dbraw/zinc/58/90/83/942589083.db2.gz KUWBYNZNMPYKFR-RBUKOAKNSA-N 1 1 353.853 3.581 20 30 FHEDMO N#Cc1ccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000501760775 942663447 /nfs/dbraw/zinc/66/34/47/942663447.db2.gz XSTIXEPUPNVRGL-UHFFFAOYSA-N 1 1 368.868 3.782 20 30 FHEDMO C[NH+](C)CCCC1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000501795767 942680912 /nfs/dbraw/zinc/68/09/12/942680912.db2.gz RYUYZUMSDAXPDD-UHFFFAOYSA-N 1 1 368.443 3.991 20 30 FHEDMO C=CCOc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000501824838 942693050 /nfs/dbraw/zinc/69/30/50/942693050.db2.gz IEZRRPDLLOJKLS-HKUYNNGSSA-N 1 1 371.525 3.704 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000501828479 942698038 /nfs/dbraw/zinc/69/80/38/942698038.db2.gz PMUGGCHKTHLUFR-CQSZACIVSA-N 1 1 356.388 3.606 20 30 FHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000501828479 942698040 /nfs/dbraw/zinc/69/80/40/942698040.db2.gz PMUGGCHKTHLUFR-CQSZACIVSA-N 1 1 356.388 3.606 20 30 FHEDMO CN(C(=O)C[NH+]1CCC(F)(c2ccccc2)CC1)C1(C#N)CCCCC1 ZINC000434503815 942728235 /nfs/dbraw/zinc/72/82/35/942728235.db2.gz QPTMTZDJKGYJTH-UHFFFAOYSA-N 1 1 357.473 3.632 20 30 FHEDMO C[C@H]([NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1)c1ccc(-n2cncn2)cc1 ZINC000378429339 942754948 /nfs/dbraw/zinc/75/49/48/942754948.db2.gz LGPZRWAWPDXZSV-HNNXBMFYSA-N 1 1 370.416 3.645 20 30 FHEDMO C=CCN(C(=O)N[C@@H](C)c1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363823406 942762481 /nfs/dbraw/zinc/76/24/81/942762481.db2.gz NXBXJNNEUFLNLV-ICSRJNTNSA-N 1 1 364.493 3.615 20 30 FHEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000421715253 942767199 /nfs/dbraw/zinc/76/71/99/942767199.db2.gz XOWCVXYLOXKIII-LJQANCHMSA-N 1 1 363.461 3.825 20 30 FHEDMO Cc1cnn(C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)c1 ZINC000378483639 942817467 /nfs/dbraw/zinc/81/74/67/942817467.db2.gz PSUNNQFKDXQGLT-UHFFFAOYSA-N 1 1 359.271 3.663 20 30 FHEDMO CCCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001269831533 942838720 /nfs/dbraw/zinc/83/87/20/942838720.db2.gz BXLLGURDLUYUJZ-PMACEKPBSA-N 1 1 351.579 3.754 20 30 FHEDMO CCCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001269831533 942838725 /nfs/dbraw/zinc/83/87/25/942838725.db2.gz BXLLGURDLUYUJZ-PMACEKPBSA-N 1 1 351.579 3.754 20 30 FHEDMO CC1(C)C[N@@H+](CCC(=O)Nc2sccc2C#N)CC[C@@H]1C(F)(F)F ZINC000190185779 942849998 /nfs/dbraw/zinc/84/99/98/942849998.db2.gz OGDQLQWUODOTHP-LBPRGKRZSA-N 1 1 359.417 3.859 20 30 FHEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCSC(C)(C)CC1 ZINC000434671981 942857169 /nfs/dbraw/zinc/85/71/69/942857169.db2.gz KZFNHRHJPQUXJU-WUJZJPHMSA-N 1 1 351.560 3.523 20 30 FHEDMO Cc1cc(C)c(C#N)c(SC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000430098486 942910335 /nfs/dbraw/zinc/91/03/35/942910335.db2.gz DCGIBMCBDHJFNW-IBGZPJMESA-N 1 1 367.518 3.953 20 30 FHEDMO CCc1cccc(OCC[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000514338527 942938889 /nfs/dbraw/zinc/93/88/89/942938889.db2.gz KAWMVFHLAQNJLF-UHFFFAOYSA-N 1 1 363.505 3.707 20 30 FHEDMO CCc1cccc(OCCN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000514338527 942938894 /nfs/dbraw/zinc/93/88/94/942938894.db2.gz KAWMVFHLAQNJLF-UHFFFAOYSA-N 1 1 363.505 3.707 20 30 FHEDMO CCc1cccc(OCCN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000514338527 942938901 /nfs/dbraw/zinc/93/89/01/942938901.db2.gz KAWMVFHLAQNJLF-UHFFFAOYSA-N 1 1 363.505 3.707 20 30 FHEDMO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3ccnn3CC)CC2)c1C ZINC000434787333 942966699 /nfs/dbraw/zinc/96/66/99/942966699.db2.gz UDZDACDUDPUFRX-UHFFFAOYSA-N 1 1 354.498 3.570 20 30 FHEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)C1=O ZINC000434849885 943005869 /nfs/dbraw/zinc/00/58/69/943005869.db2.gz HGZQYTHLQVUHOB-HKUYNNGSSA-N 1 1 365.502 3.995 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434902789 943040430 /nfs/dbraw/zinc/04/04/30/943040430.db2.gz FWEUBPZXGIGWMH-YWZLYKJASA-N 1 1 359.901 3.872 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434902789 943040435 /nfs/dbraw/zinc/04/04/35/943040435.db2.gz FWEUBPZXGIGWMH-YWZLYKJASA-N 1 1 359.901 3.872 20 30 FHEDMO CC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1nnc2n1CCCCC2 ZINC000271829715 943057141 /nfs/dbraw/zinc/05/71/41/943057141.db2.gz DQGOSHYKCZPONK-QAPCUYQASA-N 1 1 353.470 3.709 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000549960861 943066529 /nfs/dbraw/zinc/06/65/29/943066529.db2.gz AEJTZQWTZXQFEJ-GOTSBHOMSA-N 1 1 361.489 3.689 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000549960861 943066533 /nfs/dbraw/zinc/06/65/33/943066533.db2.gz AEJTZQWTZXQFEJ-GOTSBHOMSA-N 1 1 361.489 3.689 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2C)cc1 ZINC000505583155 943081837 /nfs/dbraw/zinc/08/18/37/943081837.db2.gz ZLFUFZOGJSYEAX-YLJYHZDGSA-N 1 1 357.498 3.842 20 30 FHEDMO C[NH+](C)[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccccc1Cl ZINC000435038245 943105440 /nfs/dbraw/zinc/10/54/40/943105440.db2.gz QGHXRYCBZMPAPF-LJQANCHMSA-N 1 1 367.880 3.662 20 30 FHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435063256 943136415 /nfs/dbraw/zinc/13/64/15/943136415.db2.gz JSSSTPUSSOLESA-GHTZIAJQSA-N 1 1 365.502 3.779 20 30 FHEDMO C[C@@]1(c2ccccc2)CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435063256 943136416 /nfs/dbraw/zinc/13/64/16/943136416.db2.gz JSSSTPUSSOLESA-GHTZIAJQSA-N 1 1 365.502 3.779 20 30 FHEDMO N#Cc1c(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cn2ccccc12 ZINC000503366800 943142212 /nfs/dbraw/zinc/14/22/12/943142212.db2.gz KICGMGOQFNZSKQ-KRWDZBQOSA-N 1 1 359.477 3.723 20 30 FHEDMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272478870 943161891 /nfs/dbraw/zinc/16/18/91/943161891.db2.gz ATCAURBGJVVXNH-SFHVURJKSA-N 1 1 361.489 3.906 20 30 FHEDMO N#CCCn1cc(C[N@H+]2CC[C@H]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000435127742 943182140 /nfs/dbraw/zinc/18/21/40/943182140.db2.gz ABVFCYMHCKBFDE-NRFANRHFSA-N 1 1 357.461 3.676 20 30 FHEDMO N#CCCn1cc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000435127743 943182363 /nfs/dbraw/zinc/18/23/63/943182363.db2.gz ABVFCYMHCKBFDE-OAQYLSRUSA-N 1 1 357.461 3.676 20 30 FHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272710872 943206743 /nfs/dbraw/zinc/20/67/43/943206743.db2.gz KNISULMMKATADG-CABCVRRESA-N 1 1 358.511 3.710 20 30 FHEDMO C=CCOc1ccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)cc1Cl ZINC000430132533 943208978 /nfs/dbraw/zinc/20/89/78/943208978.db2.gz MKWWBGBTYJIVFS-UHFFFAOYSA-N 1 1 372.900 3.893 20 30 FHEDMO N#Cc1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@@H]3OCc3ccccc3)o2)cc1 ZINC000503523686 943233727 /nfs/dbraw/zinc/23/37/27/943233727.db2.gz QZAALZVDFZFLIB-UXHICEINSA-N 1 1 374.444 3.836 20 30 FHEDMO N#Cc1cnn2cc(C[NH+]3CCC(F)(c4cccc(Cl)c4)CC3)cnc12 ZINC000514726578 943249314 /nfs/dbraw/zinc/24/93/14/943249314.db2.gz GGPBJMAFARLMGT-UHFFFAOYSA-N 1 1 369.831 3.715 20 30 FHEDMO N#C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000505637981 943272515 /nfs/dbraw/zinc/27/25/15/943272515.db2.gz RLXLHRWFJMGUQY-FXAWDEMLSA-N 1 1 367.880 3.933 20 30 FHEDMO N#C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000505637994 943272727 /nfs/dbraw/zinc/27/27/27/943272727.db2.gz RLXLHRWFJMGUQY-PXNSSMCTSA-N 1 1 367.880 3.933 20 30 FHEDMO C=CCC[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000435281044 943300085 /nfs/dbraw/zinc/30/00/85/943300085.db2.gz PMVKJWPNEBRCCZ-VXKWHMMOSA-N 1 1 364.489 3.711 20 30 FHEDMO C=CCC[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000435281044 943300089 /nfs/dbraw/zinc/30/00/89/943300089.db2.gz PMVKJWPNEBRCCZ-VXKWHMMOSA-N 1 1 364.489 3.711 20 30 FHEDMO Cc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC000584616803 943323350 /nfs/dbraw/zinc/32/33/50/943323350.db2.gz LZZBWNXBIFKFGK-UHFFFAOYSA-N 1 1 350.422 3.851 20 30 FHEDMO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422999720 943361009 /nfs/dbraw/zinc/36/10/09/943361009.db2.gz YHJWFVKTXNHCQG-BBGBUTGUSA-N 1 1 363.505 3.796 20 30 FHEDMO C[C@]1(CNC(=O)CCc2ccc(C#N)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000162348351 943370391 /nfs/dbraw/zinc/37/03/91/943370391.db2.gz DSTNFBLUCWYDDN-HSZRJFAPSA-N 1 1 361.489 3.662 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000425363940 943371179 /nfs/dbraw/zinc/37/11/79/943371179.db2.gz DMGZIJLYIKCDSC-ZDUSSCGKSA-N 1 1 353.378 3.526 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000425363940 943371185 /nfs/dbraw/zinc/37/11/85/943371185.db2.gz DMGZIJLYIKCDSC-ZDUSSCGKSA-N 1 1 353.378 3.526 20 30 FHEDMO C=CC[C@H](C)NC(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435538556 943474782 /nfs/dbraw/zinc/47/47/82/943474782.db2.gz WVFBAUALHCOENL-LPHOPBHVSA-N 1 1 367.497 3.725 20 30 FHEDMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC(CCC#N)CC2)[C@@H]1c1cccs1 ZINC000584717696 943480352 /nfs/dbraw/zinc/48/03/52/943480352.db2.gz JTKMKGRXOPCRCY-IEBWSBKVSA-N 1 1 374.554 3.856 20 30 FHEDMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC(CCC#N)CC2)[C@H]1c1cccs1 ZINC000584717697 943480710 /nfs/dbraw/zinc/48/07/10/943480710.db2.gz JTKMKGRXOPCRCY-MJGOQNOKSA-N 1 1 374.554 3.856 20 30 FHEDMO CCCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000435686004 943545842 /nfs/dbraw/zinc/54/58/42/943545842.db2.gz QDSVKPCWINKIGC-LJQANCHMSA-N 1 1 365.477 3.977 20 30 FHEDMO C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[N@H+](C2CC2)C1 ZINC000515207273 943568641 /nfs/dbraw/zinc/56/86/41/943568641.db2.gz HJLYGQWIRNTNJY-QGZVFWFLSA-N 1 1 374.488 3.858 20 30 FHEDMO C=C(C(=O)N1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1)C(F)(F)F ZINC001270007707 943582848 /nfs/dbraw/zinc/58/28/48/943582848.db2.gz ABZQGYOYQIEYHS-BETUJISGSA-N 1 1 372.353 3.618 20 30 FHEDMO C=CCc1cc(CN2CCC[N@@H+](Cc3ccccc3)CC2)cc(OC)c1O ZINC000435773016 943602390 /nfs/dbraw/zinc/60/23/90/943602390.db2.gz SLBDVKLSCDKTAF-UHFFFAOYSA-N 1 1 366.505 3.837 20 30 FHEDMO Cc1cc(CNC(=O)C[C@H](CC#N)c2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000584811366 943659861 /nfs/dbraw/zinc/65/98/61/943659861.db2.gz BCHDOFDGKDECQW-FQEVSTJZSA-N 1 1 362.477 3.694 20 30 FHEDMO CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1)C1CC1 ZINC000504620126 943709277 /nfs/dbraw/zinc/70/92/77/943709277.db2.gz HTRUCCXZDMHLFA-UHFFFAOYSA-N 1 1 351.450 3.820 20 30 FHEDMO N#CCCn1cc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c(-c2ccncc2)n1 ZINC000424200003 943784622 /nfs/dbraw/zinc/78/46/22/943784622.db2.gz QSAQDVHGJXODIV-FPOVZHCZSA-N 1 1 361.424 3.586 20 30 FHEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000504868404 943857519 /nfs/dbraw/zinc/85/75/19/943857519.db2.gz FJCAAQJPRWSPSM-LJQANCHMSA-N 1 1 363.505 3.831 20 30 FHEDMO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000504883110 943882838 /nfs/dbraw/zinc/88/28/38/943882838.db2.gz SEZMZBOOBVVQOQ-GOSISDBHSA-N 1 1 368.868 3.998 20 30 FHEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516999332 943914308 /nfs/dbraw/zinc/91/43/08/943914308.db2.gz NLHAKHNTKUNGIJ-QGZVFWFLSA-N 1 1 366.440 3.683 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000515509985 943942082 /nfs/dbraw/zinc/94/20/82/943942082.db2.gz AGRCUTNOUAFDLE-NRFANRHFSA-N 1 1 369.509 3.987 20 30 FHEDMO CCN(C(=O)c1sccc1C#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500007014 943942347 /nfs/dbraw/zinc/94/23/47/943942347.db2.gz OTBNUJSQBDZSRB-CRAIPNDOSA-N 1 1 353.491 3.917 20 30 FHEDMO CCCn1c2ccccc2nc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000506070451 943944986 /nfs/dbraw/zinc/94/49/86/943944986.db2.gz HZHAOGNXFAMKPW-UHFFFAOYSA-N 1 1 373.504 3.636 20 30 FHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc3c(Br)cccc23)C1=O ZINC000500024215 943965201 /nfs/dbraw/zinc/96/52/01/943965201.db2.gz LACYEMWMCHEETL-SFHVURJKSA-N 1 1 373.294 3.821 20 30 FHEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc3c(Br)cccc23)C1=O ZINC000500024214 943965635 /nfs/dbraw/zinc/96/56/35/943965635.db2.gz LACYEMWMCHEETL-GOSISDBHSA-N 1 1 373.294 3.821 20 30 FHEDMO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000437609575 943966851 /nfs/dbraw/zinc/96/68/51/943966851.db2.gz XGAGQHCGVLKXHF-AVRDEDQJSA-N 1 1 358.526 3.764 20 30 FHEDMO C=C[C@](C)(CCOC)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000437615811 943972199 /nfs/dbraw/zinc/97/21/99/943972199.db2.gz JOMGUPMIRVOODL-XMSQKQJNSA-N 1 1 358.526 3.906 20 30 FHEDMO Cc1cccc(-c2n[nH]cc2C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000506084355 943999227 /nfs/dbraw/zinc/99/92/27/943999227.db2.gz BUHGCIQOTJEDGS-UHFFFAOYSA-N 1 1 371.488 3.575 20 30 FHEDMO Cc1cccc(-c2n[nH]cc2CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000506084355 943999234 /nfs/dbraw/zinc/99/92/34/943999234.db2.gz BUHGCIQOTJEDGS-UHFFFAOYSA-N 1 1 371.488 3.575 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000437636996 944002259 /nfs/dbraw/zinc/00/22/59/944002259.db2.gz BUAZPQKIAAEZJK-QPPBQGQZSA-N 1 1 374.484 3.929 20 30 FHEDMO C=CCC[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(C(F)(F)F)cc1 ZINC000436115979 944031778 /nfs/dbraw/zinc/03/17/78/944031778.db2.gz RVBHAHBBRPWLHV-HNNXBMFYSA-N 1 1 366.387 3.624 20 30 FHEDMO N#Cc1ccc(CN2CCC[N@@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000517153893 944051151 /nfs/dbraw/zinc/05/11/51/944051151.db2.gz KDGKMLVAZIVKFK-UHFFFAOYSA-N 1 1 356.470 3.554 20 30 FHEDMO CC(C)CCN(CCC#N)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000505159656 944086808 /nfs/dbraw/zinc/08/68/08/944086808.db2.gz ITZQRAYXWBRMSQ-RTBURBONSA-N 1 1 371.525 3.698 20 30 FHEDMO CC(C)(C)[C@](C)(C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000517199544 944097130 /nfs/dbraw/zinc/09/71/30/944097130.db2.gz ZEBACPSZQRVURP-APWZRJJASA-N 1 1 363.452 3.588 20 30 FHEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000517207511 944106757 /nfs/dbraw/zinc/10/67/57/944106757.db2.gz NZBFDVFPOPYEHI-HNNXBMFYSA-N 1 1 367.415 3.561 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437830991 944141596 /nfs/dbraw/zinc/14/15/96/944141596.db2.gz AKZMGJVPUMHQSS-MJGOQNOKSA-N 1 1 354.519 3.968 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437830989 944141798 /nfs/dbraw/zinc/14/17/98/944141798.db2.gz AKZMGJVPUMHQSS-HKUYNNGSSA-N 1 1 354.519 3.968 20 30 FHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000506146127 944165920 /nfs/dbraw/zinc/16/59/20/944165920.db2.gz BHPLEROSCHOCQE-UHFFFAOYSA-N 1 1 352.478 3.720 20 30 FHEDMO C=CC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F ZINC000515775586 944199235 /nfs/dbraw/zinc/19/92/35/944199235.db2.gz NOTZQCBAKKMBIZ-UHFFFAOYSA-N 1 1 366.436 3.890 20 30 FHEDMO CCOc1cc(C[NH2+]CC2(C#N)CCC2)cc(Br)c1OC ZINC000418140288 944199450 /nfs/dbraw/zinc/19/94/50/944199450.db2.gz JGLSMVRBMCRLNK-UHFFFAOYSA-N 1 1 353.260 3.640 20 30 FHEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000436383290 944252207 /nfs/dbraw/zinc/25/22/07/944252207.db2.gz CXHVOBFHTYSACD-KRWDZBQOSA-N 1 1 365.477 3.849 20 30 FHEDMO CCOc1ccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425532882 944256683 /nfs/dbraw/zinc/25/66/83/944256683.db2.gz CVFQEJIFCNMKNB-QGZVFWFLSA-N 1 1 365.477 3.608 20 30 FHEDMO CCOc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425532882 944256693 /nfs/dbraw/zinc/25/66/93/944256693.db2.gz CVFQEJIFCNMKNB-QGZVFWFLSA-N 1 1 365.477 3.608 20 30 FHEDMO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000506464279 944262334 /nfs/dbraw/zinc/26/23/34/944262334.db2.gz BAWUHGSLYXQHKV-UHFFFAOYSA-N 1 1 364.489 3.908 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000425529710 944262988 /nfs/dbraw/zinc/26/29/88/944262988.db2.gz CPCOJABRBLBROF-BEFAXECRSA-N 1 1 358.869 3.782 20 30 FHEDMO CCCOc1ccc(CNC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425543297 944293518 /nfs/dbraw/zinc/29/35/18/944293518.db2.gz ZDWOMFFICAXJEB-QGZVFWFLSA-N 1 1 365.477 3.656 20 30 FHEDMO CCCOc1ccc(CNC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425543297 944293527 /nfs/dbraw/zinc/29/35/27/944293527.db2.gz ZDWOMFFICAXJEB-QGZVFWFLSA-N 1 1 365.477 3.656 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000425543065 944294125 /nfs/dbraw/zinc/29/41/25/944294125.db2.gz RNKUJKGOXQQMQQ-ZDUSSCGKSA-N 1 1 359.376 3.791 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000425543065 944294131 /nfs/dbraw/zinc/29/41/31/944294131.db2.gz RNKUJKGOXQQMQQ-ZDUSSCGKSA-N 1 1 359.376 3.791 20 30 FHEDMO N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)CC2 ZINC000550156887 944311903 /nfs/dbraw/zinc/31/19/03/944311903.db2.gz PLKBWWFABBBQRM-HXUWFJFHSA-N 1 1 363.436 3.641 20 30 FHEDMO N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)CC2 ZINC000550156887 944311911 /nfs/dbraw/zinc/31/19/11/944311911.db2.gz PLKBWWFABBBQRM-HXUWFJFHSA-N 1 1 363.436 3.641 20 30 FHEDMO C#CCOc1ccccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000364321554 944318761 /nfs/dbraw/zinc/31/87/61/944318761.db2.gz CKJXOPRCCHGXIV-QGZVFWFLSA-N 1 1 366.465 3.888 20 30 FHEDMO N#C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000505821837 944321707 /nfs/dbraw/zinc/32/17/07/944321707.db2.gz RHNZMHVDHPKABM-ICSRJNTNSA-N 1 1 367.880 3.933 20 30 FHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505823255 944323533 /nfs/dbraw/zinc/32/35/33/944323533.db2.gz CPESECFMDYZEPQ-CTNGQTDRSA-N 1 1 367.489 3.556 20 30 FHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000894636680 944345896 /nfs/dbraw/zinc/34/58/96/944345896.db2.gz ZYNXOBCUYZRZKM-QGZVFWFLSA-N 1 1 361.283 3.712 20 30 FHEDMO C=CCC1(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CCOCC1 ZINC000425565875 944351799 /nfs/dbraw/zinc/35/17/99/944351799.db2.gz WSBHHQFYOSRARO-HXUWFJFHSA-N 1 1 358.526 3.632 20 30 FHEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](c4ccccc4F)C3)C2=O)cc1 ZINC000550211909 944435451 /nfs/dbraw/zinc/43/54/51/944435451.db2.gz PVFAWEVNXLOMKK-UTKZUKDTSA-N 1 1 363.436 3.682 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(C#N)cs2)cc1 ZINC000438272874 944457629 /nfs/dbraw/zinc/45/76/29/944457629.db2.gz QWBQXXKJUJTHNA-OAHLLOKOSA-N 1 1 353.491 3.924 20 30 FHEDMO COc1ccc(C#N)cc1C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000438327146 944512347 /nfs/dbraw/zinc/51/23/47/944512347.db2.gz XAEFBIMCWBUQRO-NRFANRHFSA-N 1 1 350.462 3.829 20 30 FHEDMO CC1(C)C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@@H]1O ZINC000438349349 944513365 /nfs/dbraw/zinc/51/33/65/944513365.db2.gz XVIUZNDYNPKVLR-NRFANRHFSA-N 1 1 350.462 3.730 20 30 FHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000426376974 944601460 /nfs/dbraw/zinc/60/14/60/944601460.db2.gz AYZDMBRLWLSHFL-UHFFFAOYSA-N 1 1 353.491 3.906 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000426376974 944601464 /nfs/dbraw/zinc/60/14/64/944601464.db2.gz AYZDMBRLWLSHFL-UHFFFAOYSA-N 1 1 353.491 3.906 20 30 FHEDMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439446204 944629289 /nfs/dbraw/zinc/62/92/89/944629289.db2.gz QJONBFFGBZGUTJ-UHFFFAOYSA-N 1 1 367.880 3.915 20 30 FHEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438565338 944801119 /nfs/dbraw/zinc/80/11/19/944801119.db2.gz BFMVLJZYWBUDHP-SFHVURJKSA-N 1 1 364.411 3.580 20 30 FHEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000517911366 944811526 /nfs/dbraw/zinc/81/15/26/944811526.db2.gz MVOYGROWLSXTOZ-UNMCSNQZSA-N 1 1 358.526 3.634 20 30 FHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425665601 944872611 /nfs/dbraw/zinc/87/26/11/944872611.db2.gz VYMPECWNIUNOFT-KRWDZBQOSA-N 1 1 364.493 3.913 20 30 FHEDMO C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000438640275 944875586 /nfs/dbraw/zinc/87/55/86/944875586.db2.gz GDZVSXPKGHMDMI-CHWSQXEVSA-N 1 1 368.403 3.819 20 30 FHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000431991618 944900485 /nfs/dbraw/zinc/90/04/85/944900485.db2.gz KRNZSOIQQONGJO-JKSUJKDBSA-N 1 1 374.444 3.697 20 30 FHEDMO C=CCOc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc1OC ZINC000439701267 944905738 /nfs/dbraw/zinc/90/57/38/944905738.db2.gz JHHBUMNODRUJKT-GOSISDBHSA-N 1 1 360.498 3.500 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(O)c3Cl)CC2)cc1 ZINC000507055374 944906969 /nfs/dbraw/zinc/90/69/69/944906969.db2.gz UKVKXRBQSWIWQT-UHFFFAOYSA-N 1 1 355.869 3.625 20 30 FHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000516476721 944912362 /nfs/dbraw/zinc/91/23/62/944912362.db2.gz XJPZMRPHZPZEKV-IBGZPJMESA-N 1 1 354.425 3.792 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1Cl ZINC000507105740 944956322 /nfs/dbraw/zinc/95/63/22/944956322.db2.gz VWFXFSRUIIKBNN-KRWDZBQOSA-N 1 1 362.901 3.643 20 30 FHEDMO N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000518045928 944970905 /nfs/dbraw/zinc/97/09/05/944970905.db2.gz FLKWDGIWRTYIRW-SFHVURJKSA-N 1 1 359.473 3.972 20 30 FHEDMO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)[NH+](C)C ZINC000426132284 944976336 /nfs/dbraw/zinc/97/63/36/944976336.db2.gz XIQFCBADHDSMPM-QGZVFWFLSA-N 1 1 372.856 3.645 20 30 FHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1Cl ZINC000437115517 945037149 /nfs/dbraw/zinc/03/71/49/945037149.db2.gz IWSMJTQOOMEMLT-NSHGMRRFSA-N 1 1 370.880 3.851 20 30 FHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1Cl ZINC000437115517 945037161 /nfs/dbraw/zinc/03/71/61/945037161.db2.gz IWSMJTQOOMEMLT-NSHGMRRFSA-N 1 1 370.880 3.851 20 30 FHEDMO C=CCOc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000506372205 945049485 /nfs/dbraw/zinc/04/94/85/945049485.db2.gz VRHNRZORTOPZDU-UHFFFAOYSA-N 1 1 366.490 3.578 20 30 FHEDMO CC(C)CCn1ncc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1C(C)C ZINC000330172659 945387895 /nfs/dbraw/zinc/38/78/95/945387895.db2.gz GPLSXNKMRWWKKJ-DLBZAZTESA-N 1 1 361.534 3.767 20 30 FHEDMO Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000330202853 945400377 /nfs/dbraw/zinc/40/03/77/945400377.db2.gz ZWHAGRZNYVZAJA-JENIJYKNSA-N 1 1 371.529 3.535 20 30 FHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000330206281 945400924 /nfs/dbraw/zinc/40/09/24/945400924.db2.gz DDLCWRYSJATBFL-ZWKOTPCHSA-N 1 1 351.535 3.636 20 30 FHEDMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CC3CCCCCC3)cc2)CC1 ZINC000330209992 945403680 /nfs/dbraw/zinc/40/36/80/945403680.db2.gz CAHMDTXUSLGNGD-UHFFFAOYSA-N 1 1 371.525 3.891 20 30 FHEDMO O=C(CC[N@H+]1CCc2cc[nH]c(=O)c2C1)N[C@H]1CCCc2ccccc21 ZINC000330220521 945409002 /nfs/dbraw/zinc/40/90/02/945409002.db2.gz QKBNNOWULPGRKI-IBGZPJMESA-N 1 1 351.450 3.570 20 30 FHEDMO O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330236147 945417110 /nfs/dbraw/zinc/41/71/10/945417110.db2.gz ZBDVXEVPFOZTTL-YPMHNXCESA-N 1 1 361.339 3.519 20 30 FHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000330248696 945422843 /nfs/dbraw/zinc/42/28/43/945422843.db2.gz ZKMCOFWXUTVFQW-GOEBONIOSA-N 1 1 358.486 3.682 20 30 FHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCCC[C@H]1c1nccn1CC ZINC000330250135 945425078 /nfs/dbraw/zinc/42/50/78/945425078.db2.gz HBFGTPHWJXAACI-MSOLQXFVSA-N 1 1 361.534 3.609 20 30 FHEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCOC4(CCC4)C3)CC2)cs1 ZINC000330255798 945427624 /nfs/dbraw/zinc/42/76/24/945427624.db2.gz KCZWJHITRDRTDZ-INIZCTEOSA-N 1 1 363.527 3.722 20 30 FHEDMO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000330256358 945427656 /nfs/dbraw/zinc/42/76/56/945427656.db2.gz QBCIOWJDQGAEQA-OLZOCXBDSA-N 1 1 360.483 3.522 20 30 FHEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330256879 945429261 /nfs/dbraw/zinc/42/92/61/945429261.db2.gz QJUHYOGJADXUOS-NVXWUHKLSA-N 1 1 374.481 3.573 20 30 FHEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330256879 945429266 /nfs/dbraw/zinc/42/92/66/945429266.db2.gz QJUHYOGJADXUOS-NVXWUHKLSA-N 1 1 374.481 3.573 20 30 FHEDMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330263853 945433083 /nfs/dbraw/zinc/43/30/83/945433083.db2.gz XCGVTLNWIHSXLP-WBVHZDCISA-N 1 1 353.466 3.960 20 30 FHEDMO C=CCOc1ccc(C[N@H+](CC)CC(=O)Nc2ccccc2OC)cc1 ZINC000507683480 945447162 /nfs/dbraw/zinc/44/71/62/945447162.db2.gz KQDDZJUDTIBPNA-UHFFFAOYSA-N 1 1 354.450 3.721 20 30 FHEDMO C=CCOc1ccc(C[N@@H+](CC)CC(=O)Nc2ccccc2OC)cc1 ZINC000507683480 945447166 /nfs/dbraw/zinc/44/71/66/945447166.db2.gz KQDDZJUDTIBPNA-UHFFFAOYSA-N 1 1 354.450 3.721 20 30 FHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000519505729 945508626 /nfs/dbraw/zinc/50/86/26/945508626.db2.gz WMIPVNKSOSLSNW-UHFFFAOYSA-N 1 1 366.461 3.517 20 30 FHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000519505729 945508637 /nfs/dbraw/zinc/50/86/37/945508637.db2.gz WMIPVNKSOSLSNW-UHFFFAOYSA-N 1 1 366.461 3.517 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000660801158 945514664 /nfs/dbraw/zinc/51/46/64/945514664.db2.gz ONOUKNBROOKBAW-PBASOCQRSA-N 1 1 353.510 3.790 20 30 FHEDMO C#Cc1ccc(C[NH2+]Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)cc1 ZINC000894874266 945566564 /nfs/dbraw/zinc/56/65/64/945566564.db2.gz SZHGLOXXRAQHEL-UHFFFAOYSA-N 1 1 369.465 3.706 20 30 FHEDMO C=CCN(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H](C)COC ZINC000664930633 945571466 /nfs/dbraw/zinc/57/14/66/945571466.db2.gz KBPPYTVLIGSEBL-TZIWHRDSSA-N 1 1 373.541 3.521 20 30 FHEDMO C[C@@H](c1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC001126007542 945574436 /nfs/dbraw/zinc/57/44/36/945574436.db2.gz GYQZJETZSFWILK-LAUBAEHRSA-N 1 1 363.461 3.716 20 30 FHEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(C)cccc3C2)c(OC)c1 ZINC000729480179 945576125 /nfs/dbraw/zinc/57/61/25/945576125.db2.gz NWPHOFGPXWFLQI-FQEVSTJZSA-N 1 1 367.489 3.530 20 30 FHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000330334328 945602687 /nfs/dbraw/zinc/60/26/87/945602687.db2.gz QMGCWVDPNXHOGM-UXHICEINSA-N 1 1 363.461 3.615 20 30 FHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281354404 945602741 /nfs/dbraw/zinc/60/27/41/945602741.db2.gz NIUYMDPHBPCJFJ-WOJBJXKFSA-N 1 1 369.553 3.833 20 30 FHEDMO CC(C)(COCc1ccccc1)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000281426993 945629939 /nfs/dbraw/zinc/62/99/39/945629939.db2.gz PCBAIGFXJJUSME-UHFFFAOYSA-N 1 1 362.433 3.693 20 30 FHEDMO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000125116025 945641694 /nfs/dbraw/zinc/64/16/94/945641694.db2.gz IHNWBQUQCNMBQH-INIZCTEOSA-N 1 1 368.481 3.635 20 30 FHEDMO C=CCOc1ccccc1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000110722403 945723098 /nfs/dbraw/zinc/72/30/98/945723098.db2.gz BWSQFAFKIQTZIM-KRWDZBQOSA-N 1 1 366.461 3.897 20 30 FHEDMO C=CCC1(S(=O)(=O)N2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)CC1 ZINC001279836246 945743792 /nfs/dbraw/zinc/74/37/92/945743792.db2.gz KRMLUXOXORUQPK-UHFFFAOYSA-N 1 1 366.571 3.546 20 30 FHEDMO CCOc1ccccc1C[N@@H+]1CCN(c2ccc(Cl)c(C#N)n2)[C@H](C)C1 ZINC000440673847 945781825 /nfs/dbraw/zinc/78/18/25/945781825.db2.gz NYXFHSDAYLEHJX-OAHLLOKOSA-N 1 1 370.884 3.716 20 30 FHEDMO CCOc1ccccc1C[N@H+]1CCN(c2ccc(Cl)c(C#N)n2)[C@H](C)C1 ZINC000440673847 945781827 /nfs/dbraw/zinc/78/18/27/945781827.db2.gz NYXFHSDAYLEHJX-OAHLLOKOSA-N 1 1 370.884 3.716 20 30 FHEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000519903994 945892142 /nfs/dbraw/zinc/89/21/42/945892142.db2.gz LXBPNAADIOTRMN-IBGZPJMESA-N 1 1 353.853 3.665 20 30 FHEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000519903994 945892154 /nfs/dbraw/zinc/89/21/54/945892154.db2.gz LXBPNAADIOTRMN-IBGZPJMESA-N 1 1 353.853 3.665 20 30 FHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000519923861 945901669 /nfs/dbraw/zinc/90/16/69/945901669.db2.gz SIOCXCBIXCVZAA-RTBURBONSA-N 1 1 370.541 3.846 20 30 FHEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCCC[C@H]1/C=C/c1cccs1)C1CC1 ZINC000248388081 945939233 /nfs/dbraw/zinc/93/92/33/945939233.db2.gz QHUMETRGAKUOQT-KTORXTNWSA-N 1 1 357.523 3.814 20 30 FHEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCCCC[C@H]1/C=C/c1cccs1)C1CC1 ZINC000248388081 945939241 /nfs/dbraw/zinc/93/92/41/945939241.db2.gz QHUMETRGAKUOQT-KTORXTNWSA-N 1 1 357.523 3.814 20 30 FHEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)C[C@H]1COc2ccccc2O1 ZINC000281932278 945948500 /nfs/dbraw/zinc/94/85/00/945948500.db2.gz ICQYXNXKAOURJB-SFHVURJKSA-N 1 1 358.482 3.639 20 30 FHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000444160850 946004571 /nfs/dbraw/zinc/00/45/71/946004571.db2.gz XRZMBBAAFZQSOP-IBGZPJMESA-N 1 1 351.475 3.677 20 30 FHEDMO OC[C@@H]1c2ccccc2CC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440917746 946029783 /nfs/dbraw/zinc/02/97/83/946029783.db2.gz XYOLTQJVJPUHTK-LJQANCHMSA-N 1 1 361.363 3.528 20 30 FHEDMO OC[C@@H]1c2ccccc2CC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440917746 946029788 /nfs/dbraw/zinc/02/97/88/946029788.db2.gz XYOLTQJVJPUHTK-LJQANCHMSA-N 1 1 361.363 3.528 20 30 FHEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482422 946029851 /nfs/dbraw/zinc/02/98/51/946029851.db2.gz AYMQMIMTLJQZAS-GOSISDBHSA-N 1 1 373.497 3.658 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1CCC(C#N)CC1 ZINC000441002322 946102047 /nfs/dbraw/zinc/10/20/47/946102047.db2.gz VECQTFSHIOOPRX-WBYGSUFKSA-N 1 1 368.525 3.621 20 30 FHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1OC ZINC000628300786 946592582 /nfs/dbraw/zinc/59/25/82/946592582.db2.gz WTVIXTBDIMBOOV-HNNXBMFYSA-N 1 1 353.890 3.896 20 30 FHEDMO C=CCOc1cccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000475547801 946616964 /nfs/dbraw/zinc/61/69/64/946616964.db2.gz ILUNAFVYMZWPIZ-QGZVFWFLSA-N 1 1 367.367 3.973 20 30 FHEDMO C[C@@H]1C[C@@H](CCNC(=O)c2sccc2CC#N)C[N@H+]1Cc1ccccc1 ZINC000866929186 946635892 /nfs/dbraw/zinc/63/58/92/946635892.db2.gz BWDWJJHIVCHZBH-SJLPKXTDSA-N 1 1 367.518 3.845 20 30 FHEDMO C=C(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000192790713 946652937 /nfs/dbraw/zinc/65/29/37/946652937.db2.gz HKUOYQGXYIKEDE-GOSISDBHSA-N 1 1 369.408 3.785 20 30 FHEDMO Cc1cc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)ccc1C#N ZINC000475573201 946705132 /nfs/dbraw/zinc/70/51/32/946705132.db2.gz KSGYDXXXIKLPBL-INIZCTEOSA-N 1 1 350.340 3.589 20 30 FHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCCc3oc(C(=O)OCC)c(C)c32)CC1 ZINC000192839552 946707123 /nfs/dbraw/zinc/70/71/23/946707123.db2.gz QEKDSWHDLYPENX-KRWDZBQOSA-N 1 1 360.498 3.772 20 30 FHEDMO N#Cc1cccc(COc2cccc(C[NH2+][C@@H](CCO)c3ccco3)c2)c1 ZINC000184499485 946906766 /nfs/dbraw/zinc/90/67/66/946906766.db2.gz HHWMJVXVXXDWCT-NRFANRHFSA-N 1 1 362.429 3.944 20 30 FHEDMO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000475351298 946925025 /nfs/dbraw/zinc/92/50/25/946925025.db2.gz LRQFVKVMPUMPNE-FQEVSTJZSA-N 1 1 365.868 3.599 20 30 FHEDMO Cc1cc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1C#N ZINC000475351008 946925122 /nfs/dbraw/zinc/92/51/22/946925122.db2.gz AXVZVYXTOOIRRA-UHFFFAOYSA-N 1 1 351.416 3.762 20 30 FHEDMO Cc1cccc(CNC(=O)CN2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328658866 946969104 /nfs/dbraw/zinc/96/91/04/946969104.db2.gz RUXFGZDPHWTSSN-LJQANCHMSA-N 1 1 366.509 3.864 20 30 FHEDMO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328664648 946971637 /nfs/dbraw/zinc/97/16/37/946971637.db2.gz YPSKADQOPLCDAD-IRXDYDNUSA-N 1 1 371.481 3.880 20 30 FHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000609515798 946973772 /nfs/dbraw/zinc/97/37/72/946973772.db2.gz FPWVJVSSHURIJX-KDURUIRLSA-N 1 1 371.525 3.592 20 30 FHEDMO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000328672399 946974957 /nfs/dbraw/zinc/97/49/57/946974957.db2.gz OGRBBXWHJLJDJJ-LJHODMEESA-N 1 1 358.482 3.781 20 30 FHEDMO COc1c(Cl)cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000328674766 946976351 /nfs/dbraw/zinc/97/63/51/946976351.db2.gz KCNVTKOJNUTJKP-UONOGXRCSA-N 1 1 358.269 3.764 20 30 FHEDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000328708181 946998940 /nfs/dbraw/zinc/99/89/40/946998940.db2.gz BAOQODZOSQMBRH-SIXWZSSISA-N 1 1 371.481 3.608 20 30 FHEDMO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000444595126 947021091 /nfs/dbraw/zinc/02/10/91/947021091.db2.gz JGKVNKKONRVLTM-WGMWDUQUSA-N 1 1 368.525 3.600 20 30 FHEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000328821559 947038234 /nfs/dbraw/zinc/03/82/34/947038234.db2.gz HUNZFFZDUAPALS-CRAIPNDOSA-N 1 1 358.486 3.765 20 30 FHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000328826188 947041851 /nfs/dbraw/zinc/04/18/51/947041851.db2.gz QFMATXKGRDHHCZ-UBDQQSCGSA-N 1 1 374.481 3.655 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000328791965 947048465 /nfs/dbraw/zinc/04/84/65/947048465.db2.gz RCECHGVASZDZLE-GDBMZVCRSA-N 1 1 363.889 3.666 20 30 FHEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000328796497 947049574 /nfs/dbraw/zinc/04/95/74/947049574.db2.gz UUQQCUJCOFJZIN-ORAYPTAESA-N 1 1 358.442 3.638 20 30 FHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000444619199 947051721 /nfs/dbraw/zinc/05/17/21/947051721.db2.gz JBKWUNSDCNYVOP-PKTZIBPZSA-N 1 1 373.500 3.733 20 30 FHEDMO CCOC(=O)CC[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444621157 947054151 /nfs/dbraw/zinc/05/41/51/947054151.db2.gz QZMIINGFGHFKGQ-UHFFFAOYSA-N 1 1 350.462 3.771 20 30 FHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328846525 947063400 /nfs/dbraw/zinc/06/34/00/947063400.db2.gz QLXLTVPNRZBTQO-HIFRSBDPSA-N 1 1 373.522 3.833 20 30 FHEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000444646973 947067057 /nfs/dbraw/zinc/06/70/57/947067057.db2.gz CRXBLSGQTOSNNX-UHFFFAOYSA-N 1 1 361.917 3.747 20 30 FHEDMO Cc1cnn(CC[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000328867049 947073727 /nfs/dbraw/zinc/07/37/27/947073727.db2.gz CBOHEPIRWWNFPK-QGZVFWFLSA-N 1 1 370.501 3.572 20 30 FHEDMO CC[C@H](CNC(=O)Nc1cccc(C#N)c1C)[N@H+]1CCc2ccccc2C1 ZINC000432282355 947074044 /nfs/dbraw/zinc/07/40/44/947074044.db2.gz BYHOZBGGNCHXGL-HXUWFJFHSA-N 1 1 362.477 3.825 20 30 FHEDMO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000328873810 947077806 /nfs/dbraw/zinc/07/78/06/947077806.db2.gz RFZQMTQCMZSABU-UHFFFAOYSA-N 1 1 367.478 3.774 20 30 FHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000328879216 947079822 /nfs/dbraw/zinc/07/98/22/947079822.db2.gz JRXDRLBJCRPVAR-JKSUJKDBSA-N 1 1 365.543 3.915 20 30 FHEDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)c1 ZINC000328941302 947095120 /nfs/dbraw/zinc/09/51/20/947095120.db2.gz FGVKMVHYWOANGQ-MHYXUVESSA-N 1 1 360.498 3.532 20 30 FHEDMO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000328908988 947103696 /nfs/dbraw/zinc/10/36/96/947103696.db2.gz MLYCCNXDMBXYLI-WBVHZDCISA-N 1 1 359.857 3.807 20 30 FHEDMO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000328908988 947103710 /nfs/dbraw/zinc/10/37/10/947103710.db2.gz MLYCCNXDMBXYLI-WBVHZDCISA-N 1 1 359.857 3.807 20 30 FHEDMO COc1ccccc1C1(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000328920078 947109121 /nfs/dbraw/zinc/10/91/21/947109121.db2.gz AZKKCKUWNFNPBS-UHFFFAOYSA-N 1 1 372.509 3.718 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC(=O)N1CCCCCC1 ZINC000328963912 947126566 /nfs/dbraw/zinc/12/65/66/947126566.db2.gz RLPAGOJEYUARFE-UYAOXDASSA-N 1 1 371.525 3.504 20 30 FHEDMO CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000328984427 947132485 /nfs/dbraw/zinc/13/24/85/947132485.db2.gz GDUIDLLHJLCRMH-DYESRHJHSA-N 1 1 371.525 3.776 20 30 FHEDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000444360868 947153185 /nfs/dbraw/zinc/15/31/85/947153185.db2.gz FUVFFYARZLMSRN-KRWDZBQOSA-N 1 1 352.482 3.548 20 30 FHEDMO CCOC(=O)c1cc(C)sc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000330405956 947168161 /nfs/dbraw/zinc/16/81/61/947168161.db2.gz QQSIZHWRZSROHO-TZMCWYRMSA-N 1 1 367.515 3.583 20 30 FHEDMO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)C1 ZINC000330411925 947169522 /nfs/dbraw/zinc/16/95/22/947169522.db2.gz LOPKXTJJWFSYGW-ZIAGYGMSSA-N 1 1 352.548 3.737 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000330462827 947177107 /nfs/dbraw/zinc/17/71/07/947177107.db2.gz TYNFCNKIULSVNH-DOMZBBRYSA-N 1 1 354.281 3.939 20 30 FHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)cc1 ZINC000093770822 947212872 /nfs/dbraw/zinc/21/28/72/947212872.db2.gz QSUDMAUNJPUDSE-QGZVFWFLSA-N 1 1 356.432 3.958 20 30 FHEDMO CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000330581328 947219957 /nfs/dbraw/zinc/21/99/57/947219957.db2.gz JBTIBKHJNYZBAD-BBWFWOEESA-N 1 1 374.529 3.517 20 30 FHEDMO CC1(C)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440554919 947221943 /nfs/dbraw/zinc/22/19/43/947221943.db2.gz JDQOTKAWFLKTIW-NRJQMVOHSA-N 1 1 367.493 3.556 20 30 FHEDMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000444794323 947233112 /nfs/dbraw/zinc/23/31/12/947233112.db2.gz VFISTUBKNXHXNW-DOTOQJQBSA-N 1 1 355.404 3.633 20 30 FHEDMO CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C#N)c1)C2 ZINC001271498064 947272107 /nfs/dbraw/zinc/27/21/07/947272107.db2.gz YJPSCSPKTLXAPR-QFUCXCTJSA-N 1 1 353.510 3.921 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)c(OC(C)C)c2)C[C@@H]1C ZINC000330900491 947308052 /nfs/dbraw/zinc/30/80/52/947308052.db2.gz JVPRNWQNNGWMNU-RDJZCZTQSA-N 1 1 363.502 3.833 20 30 FHEDMO COC(=O)c1ccc(C(C)C)c(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000330967290 947318325 /nfs/dbraw/zinc/31/83/25/947318325.db2.gz DPAFCNASAPNFPS-GDBMZVCRSA-N 1 1 361.486 3.557 20 30 FHEDMO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1Cl ZINC000331342058 947389096 /nfs/dbraw/zinc/38/90/96/947389096.db2.gz KOLIPLMQZUQWHR-PVTKRXDGSA-N 1 1 354.281 3.841 20 30 FHEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(-c2ccncc2)n1 ZINC000093872450 947430125 /nfs/dbraw/zinc/43/01/25/947430125.db2.gz MCBUDEVPSWMIEW-LEWJYISDSA-N 1 1 357.461 3.754 20 30 FHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(-c2ccncc2)n1 ZINC000093872450 947430131 /nfs/dbraw/zinc/43/01/31/947430131.db2.gz MCBUDEVPSWMIEW-LEWJYISDSA-N 1 1 357.461 3.754 20 30 FHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000523618990 947449206 /nfs/dbraw/zinc/44/92/06/947449206.db2.gz FJBYROYZTAJEBJ-OAHLLOKOSA-N 1 1 358.486 3.589 20 30 FHEDMO COC(=O)c1ccc(OCC[N@H+](CCC#N)CC(C)(C)C)c(Cl)c1 ZINC000441459715 947564800 /nfs/dbraw/zinc/56/48/00/947564800.db2.gz WQOKULINJYUORB-UHFFFAOYSA-N 1 1 352.862 3.767 20 30 FHEDMO COC(=O)c1ccc(OCC[N@@H+](CCC#N)CC(C)(C)C)c(Cl)c1 ZINC000441459715 947564804 /nfs/dbraw/zinc/56/48/04/947564804.db2.gz WQOKULINJYUORB-UHFFFAOYSA-N 1 1 352.862 3.767 20 30 FHEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1c(C#N)cnc2c(Br)cccc21 ZINC000440674754 947593836 /nfs/dbraw/zinc/59/38/36/947593836.db2.gz UBAYARDPJPSURT-CYBMUJFWSA-N 1 1 373.298 3.647 20 30 FHEDMO N#CCc1ccc(COC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000785332686 947623568 /nfs/dbraw/zinc/62/35/68/947623568.db2.gz KPLOJUWQWOWBFT-HXUWFJFHSA-N 1 1 366.436 3.847 20 30 FHEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189156688 947650244 /nfs/dbraw/zinc/65/02/44/947650244.db2.gz DRZWDAVQTWGCKY-SFHVURJKSA-N 1 1 360.523 3.794 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000500440425 947704760 /nfs/dbraw/zinc/70/47/60/947704760.db2.gz KAUCZOGZDCHBAQ-RBUKOAKNSA-N 1 1 373.500 3.711 20 30 FHEDMO C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298387 947721333 /nfs/dbraw/zinc/72/13/33/947721333.db2.gz VXKJGKOJAVARSF-GOSISDBHSA-N 1 1 373.566 3.615 20 30 FHEDMO C=C(C)COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC ZINC000663347758 947819601 /nfs/dbraw/zinc/81/96/01/947819601.db2.gz UQAHJLOXRWEHIQ-HXUWFJFHSA-N 1 1 358.526 3.862 20 30 FHEDMO C=C(C)COc1cc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1OC ZINC000663347758 947819608 /nfs/dbraw/zinc/81/96/08/947819608.db2.gz UQAHJLOXRWEHIQ-HXUWFJFHSA-N 1 1 358.526 3.862 20 30 FHEDMO C=C(C)COc1cc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC ZINC000663347758 947819612 /nfs/dbraw/zinc/81/96/12/947819612.db2.gz UQAHJLOXRWEHIQ-HXUWFJFHSA-N 1 1 358.526 3.862 20 30 FHEDMO C=CCOc1ccc(CC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001126262586 947916669 /nfs/dbraw/zinc/91/66/69/947916669.db2.gz OODCTJAQPTZJBB-LJQANCHMSA-N 1 1 364.489 3.527 20 30 FHEDMO C=CCOc1ccc(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001126262586 947916674 /nfs/dbraw/zinc/91/66/74/947916674.db2.gz OODCTJAQPTZJBB-LJQANCHMSA-N 1 1 364.489 3.527 20 30 FHEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180750718 948113077 /nfs/dbraw/zinc/11/30/77/948113077.db2.gz YXCXHQGJMDKPNL-HOTGVXAUSA-N 1 1 351.853 3.669 20 30 FHEDMO CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180750718 948113078 /nfs/dbraw/zinc/11/30/78/948113078.db2.gz YXCXHQGJMDKPNL-HOTGVXAUSA-N 1 1 351.853 3.669 20 30 FHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)COc2ccc(C#N)cc2)c1 ZINC000054011101 948161983 /nfs/dbraw/zinc/16/19/83/948161983.db2.gz UXECYFUREFZPTM-UHFFFAOYSA-N 1 1 374.444 3.944 20 30 FHEDMO NC(CCc1ccccc1)=[NH+]OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000106436416 948188697 /nfs/dbraw/zinc/18/86/97/948188697.db2.gz RMIOLDGQAAJFJQ-UHFFFAOYSA-N 1 1 356.813 3.812 20 30 FHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cscc2C#N)cc1 ZINC000432391974 948319582 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ZINC000050089932 568698997 /nfs/dbraw/zinc/69/89/97/568698997.db2.gz FUIBSENZRSAPRR-QAPCUYQASA-N 1 1 364.449 3.524 20 30 FHEDMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N(C)Cc3cccc(C#N)c3)c2c1 ZINC000737248654 599270763 /nfs/dbraw/zinc/27/07/63/599270763.db2.gz IXRDCBGWMADOJW-UHFFFAOYSA-N 1 1 369.432 3.540 20 30 FHEDMO N#Cc1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164627286 719058156 /nfs/dbraw/zinc/05/81/56/719058156.db2.gz QKYHWXQRQAGPLK-HKUYNNGSSA-N 1 1 352.869 3.707 20 30 FHEDMO N#Cc1cc(Cl)cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626822 719073334 /nfs/dbraw/zinc/07/33/34/719073334.db2.gz PLQOKCDPUUALDY-LPHOPBHVSA-N 1 1 352.869 3.707 20 30 FHEDMO N#Cc1cc2c(nc1N1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC001164627885 719097468 /nfs/dbraw/zinc/09/74/68/719097468.db2.gz LALSEYLOCGKNGW-OFNKIYASSA-N 1 1 372.516 3.933 20 30 FHEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164768174 721280283 /nfs/dbraw/zinc/28/02/83/721280283.db2.gz LMRFPEXFEMJUPR-UHFFFAOYSA-N 1 1 362.452 3.681 20 30 FHEDMO Cc1ccc(C#N)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792478 721491887 /nfs/dbraw/zinc/49/18/87/721491887.db2.gz JNGQAADAOIDJOQ-UHFFFAOYSA-N 1 1 361.493 3.538 20 30 FHEDMO C[C@@H]1c2cccn2CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000198417006 936321480 /nfs/dbraw/zinc/32/14/80/936321480.db2.gz CFUOLWNCTIUZKJ-CQSZACIVSA-N 1 1 368.506 3.705 20 30 FHEDMO C[C@@H]1c2cccn2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000198417006 936321485 /nfs/dbraw/zinc/32/14/85/936321485.db2.gz CFUOLWNCTIUZKJ-CQSZACIVSA-N 1 1 368.506 3.705 20 30 FHEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000178729262 936327049 /nfs/dbraw/zinc/32/70/49/936327049.db2.gz QILSIKKBIWFMTD-HXUWFJFHSA-N 1 1 368.525 3.600 20 30 FHEDMO C[C@@H]1[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccccc1 ZINC000431515614 936372154 /nfs/dbraw/zinc/37/21/54/936372154.db2.gz BQVKTCCYIBYGJR-CDNPAEQRSA-N 1 1 373.500 3.642 20 30 FHEDMO C[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccccc1 ZINC000431515614 936372159 /nfs/dbraw/zinc/37/21/59/936372159.db2.gz BQVKTCCYIBYGJR-CDNPAEQRSA-N 1 1 373.500 3.642 20 30 FHEDMO C[C@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000091552973 937136974 /nfs/dbraw/zinc/13/69/74/937136974.db2.gz NVOLWHZLHJORQQ-INIZCTEOSA-N 1 1 362.477 3.634 20 30 FHEDMO C[C@@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000091552974 937137965 /nfs/dbraw/zinc/13/79/65/937137965.db2.gz NVOLWHZLHJORQQ-MRXNPFEDSA-N 1 1 362.477 3.634 20 30 FHEDMO C[C@@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)Nc1ccccc1C#N ZINC000091552807 937141102 /nfs/dbraw/zinc/14/11/02/937141102.db2.gz CDHZQFWBRXVBPX-MRXNPFEDSA-N 1 1 362.477 3.634 20 30 FHEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1cc(Br)c(C#N)cc1F ZINC000394364562 927190796 /nfs/dbraw/zinc/19/07/96/927190796.db2.gz MEKSNSKYEDFGLS-OLZOCXBDSA-N 1 1 352.251 3.523 20 30 FHEDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1OCCCC#N ZINC000579726061 927207994 /nfs/dbraw/zinc/20/79/94/927207994.db2.gz WJQQPNLFDFFTJB-PKOBYXMFSA-N 1 1 360.498 3.893 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)nc1 ZINC000430157346 927393727 /nfs/dbraw/zinc/39/37/27/927393727.db2.gz DAMMEZIUHPWPLQ-GFCCVEGCSA-N 1 1 353.369 3.687 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)s3)C2)nc1 ZINC000430157346 927393740 /nfs/dbraw/zinc/39/37/40/927393740.db2.gz DAMMEZIUHPWPLQ-GFCCVEGCSA-N 1 1 353.369 3.687 20 30 FHEDMO CC(C)([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(Cl)c1F ZINC000186885723 927449942 /nfs/dbraw/zinc/44/99/42/927449942.db2.gz XDXZARDLXGJIOA-UHFFFAOYSA-N 1 1 351.834 3.876 20 30 FHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)cc1 ZINC000154024474 937166946 /nfs/dbraw/zinc/16/69/46/937166946.db2.gz NSZMIMYZDJAQDP-MRXNPFEDSA-N 1 1 361.449 3.583 20 30 FHEDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1 ZINC000430171510 927511238 /nfs/dbraw/zinc/51/12/38/927511238.db2.gz WFZXFVRVRHTQPE-QWQRMKEZSA-N 1 1 351.416 3.739 20 30 FHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000517745338 927583526 /nfs/dbraw/zinc/58/35/26/927583526.db2.gz LEONMXHUCUEGRX-QZTJIDSGSA-N 1 1 359.514 3.513 20 30 FHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000430185801 927662323 /nfs/dbraw/zinc/66/23/23/927662323.db2.gz KFVBWORTIMWOPV-KRWDZBQOSA-N 1 1 369.852 3.825 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000430185801 927662328 /nfs/dbraw/zinc/66/23/28/927662328.db2.gz KFVBWORTIMWOPV-KRWDZBQOSA-N 1 1 369.852 3.825 20 30 FHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-c4ccncc4)cc3F)C2)nc1 ZINC000430188557 927682212 /nfs/dbraw/zinc/68/22/12/927682212.db2.gz UKPUEUYTTMAHNQ-HXUWFJFHSA-N 1 1 374.419 3.808 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c1C ZINC000153959495 927686278 /nfs/dbraw/zinc/68/62/78/927686278.db2.gz NIMPVUBODMGINT-OAQYLSRUSA-N 1 1 362.477 3.782 20 30 FHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)c1C ZINC000153959495 927686286 /nfs/dbraw/zinc/68/62/86/927686286.db2.gz NIMPVUBODMGINT-OAQYLSRUSA-N 1 1 362.477 3.782 20 30 FHEDMO CCN(C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1)CC(F)(F)F ZINC000187116408 927923498 /nfs/dbraw/zinc/92/34/98/927923498.db2.gz GSASJRRQWNJGOM-CYBMUJFWSA-N 1 1 359.823 3.918 20 30 FHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1)CC(F)(F)F ZINC000187116408 927923499 /nfs/dbraw/zinc/92/34/99/927923499.db2.gz GSASJRRQWNJGOM-CYBMUJFWSA-N 1 1 359.823 3.918 20 30 FHEDMO C[C@@H]1C[C@H](CCNC(=O)c2cc(C#N)cs2)C[N@H+]1Cc1ccccc1 ZINC000510085200 927971973 /nfs/dbraw/zinc/97/19/73/927971973.db2.gz LSAGRFCDRNDOEL-WBVHZDCISA-N 1 1 353.491 3.650 20 30 FHEDMO C=C(C)[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187776842 937214867 /nfs/dbraw/zinc/21/48/67/937214867.db2.gz JRKLXMQTFACDTA-SFHVURJKSA-N 1 1 351.418 3.646 20 30 FHEDMO C=CCC1(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCCCC1 ZINC000458419202 937216235 /nfs/dbraw/zinc/21/62/35/937216235.db2.gz HMFINZGRULHJKT-UHFFFAOYSA-N 1 1 356.514 3.937 20 30 FHEDMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@@H]1c1ccccc1 ZINC000610216100 928171649 /nfs/dbraw/zinc/17/16/49/928171649.db2.gz LHALPJWTZJQHHI-QUCCMNQESA-N 1 1 353.510 3.797 20 30 FHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC2(C1)CCCCC2 ZINC000610216172 928172717 /nfs/dbraw/zinc/17/27/17/928172717.db2.gz VFJCVGZKGIAYJX-SFHVURJKSA-N 1 1 369.509 3.987 20 30 FHEDMO N#Cc1ccccc1/C=C\C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000254941645 928424887 /nfs/dbraw/zinc/42/48/87/928424887.db2.gz YYGLAQOFAPGDPZ-IBSYWUHOSA-N 1 1 365.502 3.661 20 30 FHEDMO C=CCCC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000583231312 937261134 /nfs/dbraw/zinc/26/11/34/937261134.db2.gz JTDZCDCSJQDCNO-UHFFFAOYSA-N 1 1 360.195 3.597 20 30 FHEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)C[C@H]1COc2ccccc2O1 ZINC000179633972 928890192 /nfs/dbraw/zinc/89/01/92/928890192.db2.gz VRAJAJIVJGNORT-IBGZPJMESA-N 1 1 352.434 3.641 20 30 FHEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001167086412 928925449 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CS[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000749465527 929676350 /nfs/dbraw/zinc/67/63/50/929676350.db2.gz DMYMTDMJQVXIEG-PKOBYXMFSA-N 1 1 359.539 3.848 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000547990114 929787949 /nfs/dbraw/zinc/78/79/49/929787949.db2.gz CNOXNOPYBWKPAV-HZPDHXFCSA-N 1 1 359.901 3.938 20 30 FHEDMO Cc1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)nc2ccccc12 ZINC000560450413 929839307 /nfs/dbraw/zinc/83/93/07/929839307.db2.gz CCDVIAUAIKBFOV-UHFFFAOYSA-N 1 1 358.445 3.853 20 30 FHEDMO C=CCC1(NC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCCCC1 ZINC000458493449 937379279 /nfs/dbraw/zinc/37/92/79/937379279.db2.gz GWPALTVHJNUOLG-UHFFFAOYSA-N 1 1 371.529 3.640 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C(C)C)C[C@@H]1C ZINC000579197660 930001273 /nfs/dbraw/zinc/00/12/73/930001273.db2.gz MEXXHHLHKKGACU-QFBILLFUSA-N 1 1 366.513 3.707 20 30 FHEDMO C[C@H]1OCC[C@]1(O)C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC000580035343 930044674 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3.563 20 30 FHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000070869245 930190798 /nfs/dbraw/zinc/19/07/98/930190798.db2.gz FHDIAJUFWZYEQG-QFBILLFUSA-N 1 1 356.491 3.563 20 30 FHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000728290272 930517457 /nfs/dbraw/zinc/51/74/57/930517457.db2.gz FIOPEKYTMWMTDK-LJQANCHMSA-N 1 1 350.418 3.893 20 30 FHEDMO C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000074918362 930594998 /nfs/dbraw/zinc/59/49/98/930594998.db2.gz WTENKBSRGGXPAU-LAUBAEHRSA-N 1 1 362.477 3.535 20 30 FHEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC001167391329 930614792 /nfs/dbraw/zinc/61/47/92/930614792.db2.gz HREMIVWMTHUVPH-NQIIRXRSSA-N 1 1 366.546 3.815 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)cc1 ZINC000047909230 930669381 /nfs/dbraw/zinc/66/93/81/930669381.db2.gz CZLHZEFSDSIVTP-MRXNPFEDSA-N 1 1 355.482 3.595 20 30 FHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000610446367 930813349 /nfs/dbraw/zinc/81/33/49/930813349.db2.gz VBNIDOBYAUWVOT-IBGZPJMESA-N 1 1 361.489 3.614 20 30 FHEDMO N#Cc1cc(Cl)cc(Br)c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000561141853 930820952 /nfs/dbraw/zinc/82/09/52/930820952.db2.gz RRBAUJJFHOPGSC-JTQLQIEISA-N 1 1 354.679 3.870 20 30 FHEDMO C[C@H]1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000119248834 930951760 /nfs/dbraw/zinc/95/17/60/930951760.db2.gz GPVFTJIJZLMOCN-WMLDXEAASA-N 1 1 369.415 3.619 20 30 FHEDMO C=C(C)[C@H](NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000548128693 931041415 /nfs/dbraw/zinc/04/14/15/931041415.db2.gz BAEGCJNZWGMCNP-KSSFIOAISA-N 1 1 351.441 3.612 20 30 FHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccccc1N(C)C ZINC000580738428 931083158 /nfs/dbraw/zinc/08/31/58/931083158.db2.gz MAYLXHHRCGCEKM-CQSZACIVSA-N 1 1 370.884 3.737 20 30 FHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000580738428 931083165 /nfs/dbraw/zinc/08/31/65/931083165.db2.gz MAYLXHHRCGCEKM-CQSZACIVSA-N 1 1 370.884 3.737 20 30 FHEDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000684108582 931335895 /nfs/dbraw/zinc/33/58/95/931335895.db2.gz GOIGWTFZJGWZLE-PGRDOPGGSA-N 1 1 369.892 3.734 20 30 FHEDMO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156747307 931406123 /nfs/dbraw/zinc/40/61/23/931406123.db2.gz ACZGMJZTHJEWJP-FQEVSTJZSA-N 1 1 356.491 3.661 20 30 FHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156747307 931406128 /nfs/dbraw/zinc/40/61/28/931406128.db2.gz ACZGMJZTHJEWJP-FQEVSTJZSA-N 1 1 356.491 3.661 20 30 FHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cc(F)c(F)cc1OC)C2 ZINC001143386013 931422249 /nfs/dbraw/zinc/42/22/49/931422249.db2.gz AZTFJKDKHFXQOZ-HXUWFJFHSA-N 1 1 364.436 3.507 20 30 FHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cc(F)c(F)cc1OC)C2 ZINC001143386013 931422254 /nfs/dbraw/zinc/42/22/54/931422254.db2.gz AZTFJKDKHFXQOZ-HXUWFJFHSA-N 1 1 364.436 3.507 20 30 FHEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC001167442509 931463403 /nfs/dbraw/zinc/46/34/03/931463403.db2.gz FMIGQUVIXNMFAY-OALUTQOASA-N 1 1 357.498 3.802 20 30 FHEDMO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000255263808 931551230 /nfs/dbraw/zinc/55/12/30/931551230.db2.gz UPCOEKNXQRGHPH-YNNNHAPMSA-N 1 1 359.473 3.741 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1nccn1CC ZINC000581442145 932076690 /nfs/dbraw/zinc/07/66/90/932076690.db2.gz RBZLLDHCTYNKPY-UXHICEINSA-N 1 1 369.509 3.598 20 30 FHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nccn1CC ZINC000581442145 932076699 /nfs/dbraw/zinc/07/66/99/932076699.db2.gz RBZLLDHCTYNKPY-UXHICEINSA-N 1 1 369.509 3.598 20 30 FHEDMO C[C@@H]1SCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1c1ccccc1 ZINC000581513208 932192214 /nfs/dbraw/zinc/19/22/14/932192214.db2.gz HKMBVFKUWLAGTJ-PXNSSMCTSA-N 1 1 371.550 3.850 20 30 FHEDMO C[C@@H]1SCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1c1ccccc1 ZINC000581513208 932192216 /nfs/dbraw/zinc/19/22/16/932192216.db2.gz HKMBVFKUWLAGTJ-PXNSSMCTSA-N 1 1 371.550 3.850 20 30 FHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)cc1C ZINC000126678460 932334661 /nfs/dbraw/zinc/33/46/61/932334661.db2.gz YMSRRXVFRIHYDU-OAQYLSRUSA-N 1 1 361.489 3.851 20 30 FHEDMO COc1cc(C#N)ccc1OCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000157354481 932384038 /nfs/dbraw/zinc/38/40/38/932384038.db2.gz SXHJJJSICSKJNV-QGZVFWFLSA-N 1 1 372.490 3.688 20 30 FHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000078573024 932531882 /nfs/dbraw/zinc/53/18/82/932531882.db2.gz FSFIIDYVKGNYEA-GOEBONIOSA-N 1 1 372.494 3.956 20 30 FHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)C1 ZINC000292928987 932629121 /nfs/dbraw/zinc/62/91/21/932629121.db2.gz YVBZGTPBKDCWSQ-UMVBOHGHSA-N 1 1 363.387 3.620 20 30 FHEDMO C=CCc1cc(CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc(OC)c1O ZINC000510466925 932709050 /nfs/dbraw/zinc/70/90/50/932709050.db2.gz DGUBWVSWIKMFPV-QKLQHJQFSA-N 1 1 358.526 3.967 20 30 FHEDMO CC(C)(C#N)CCC[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000471727534 932724435 /nfs/dbraw/zinc/72/44/35/932724435.db2.gz RHUSAKCDKKJWJB-UHFFFAOYSA-N 1 1 357.542 3.677 20 30 FHEDMO CC(C)(C#N)C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001143399164 932767256 /nfs/dbraw/zinc/76/72/56/932767256.db2.gz ISIXEOQSKXYLAQ-NRFANRHFSA-N 1 1 361.489 3.839 20 30 FHEDMO C[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C2(CCCCC2)C1 ZINC000081801943 932790332 /nfs/dbraw/zinc/79/03/32/932790332.db2.gz PHLSODPLBFEXKN-UHFFFAOYSA-N 1 1 369.509 3.584 20 30 FHEDMO CON=Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000255373527 932864347 /nfs/dbraw/zinc/86/43/47/932864347.db2.gz KQLCGJISPUPAGC-HKUYNNGSSA-N 1 1 371.506 3.541 20 30 FHEDMO COc1ccc([C@@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)cc1OC ZINC000051284051 932900723 /nfs/dbraw/zinc/90/07/23/932900723.db2.gz RXJILPRYRXPIDM-IBGZPJMESA-N 1 1 352.434 3.791 20 30 FHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1c(F)c(F)ccc1OC)CC2 ZINC001143407870 933132444 /nfs/dbraw/zinc/13/24/44/933132444.db2.gz QSXPFCWHFVFDTE-FQEVSTJZSA-N 1 1 364.436 3.507 20 30 FHEDMO Cc1c([C@@H](C)[NH2+]CC2(CC#N)CC2)nnn1-c1cccc(Br)c1 ZINC000430739734 933191247 /nfs/dbraw/zinc/19/12/47/933191247.db2.gz IGBIFNUZPJUHNL-GFCCVEGCSA-N 1 1 374.286 3.683 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3Cc3ccc(F)cc3)o2)c1 ZINC000477746344 933317501 /nfs/dbraw/zinc/31/75/01/933317501.db2.gz MYZBHNOKXDUJDN-LJQANCHMSA-N 1 1 362.408 3.954 20 30 FHEDMO O=C(C[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)NC1CCCCC1 ZINC000328971158 933513956 /nfs/dbraw/zinc/51/39/56/933513956.db2.gz BLSVJFNYEXOXMT-IBGZPJMESA-N 1 1 350.890 3.609 20 30 FHEDMO COC[C@H]1CCC[N@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000610615539 933537393 /nfs/dbraw/zinc/53/73/93/933537393.db2.gz NIAKZYDKCLEIQA-HXUWFJFHSA-N 1 1 366.461 3.757 20 30 FHEDMO COC(=O)C[C@@](C)([NH2+]CC#Cc1ccccc1Cl)c1cccc(OC)c1 ZINC000510764481 933668583 /nfs/dbraw/zinc/66/85/83/933668583.db2.gz NXUDIXVXPBCQQJ-OAQYLSRUSA-N 1 1 371.864 3.768 20 30 FHEDMO C[NH+](C)C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000518606621 933703736 /nfs/dbraw/zinc/70/37/36/933703736.db2.gz YQVCMMQMHUYFNR-OAQYLSRUSA-N 1 1 355.457 3.901 20 30 FHEDMO C=C(C)C[N@@H+](CCc1c(C)nc2sccn2c1=O)Cc1ccccc1 ZINC000510794193 933733564 /nfs/dbraw/zinc/73/35/64/933733564.db2.gz FMJHQRJUUYOIHQ-UHFFFAOYSA-N 1 1 353.491 3.685 20 30 FHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000477872203 933907388 /nfs/dbraw/zinc/90/73/88/933907388.db2.gz GAWMZHVMUYKZPS-IAGOWNOFSA-N 1 1 350.409 3.939 20 30 FHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176087960 934050771 /nfs/dbraw/zinc/05/07/71/934050771.db2.gz SPWJELZEHFCVBL-KRWDZBQOSA-N 1 1 366.440 3.683 20 30 FHEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1cccs1 ZINC000176089871 934051553 /nfs/dbraw/zinc/05/15/53/934051553.db2.gz AXYHZHFKYXJKGN-SCLBCKFNSA-N 1 1 372.469 3.963 20 30 FHEDMO C=C(C)[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000548474902 934066717 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C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000535778672 934367945 /nfs/dbraw/zinc/36/79/45/934367945.db2.gz SAIWHGHRQDUWMV-QFIPXVFZSA-N 1 1 372.472 3.544 20 30 FHEDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000535778672 934367952 /nfs/dbraw/zinc/36/79/52/934367952.db2.gz SAIWHGHRQDUWMV-QFIPXVFZSA-N 1 1 372.472 3.544 20 30 FHEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccnc4ccccc34)CC2)cc1 ZINC000535782153 934371561 /nfs/dbraw/zinc/37/15/61/934371561.db2.gz NBUZNGUNWVKHGQ-UHFFFAOYSA-N 1 1 356.473 3.814 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccnc4ccccc34)CC2)cc1 ZINC000535782153 934371568 /nfs/dbraw/zinc/37/15/68/934371568.db2.gz NBUZNGUNWVKHGQ-UHFFFAOYSA-N 1 1 356.473 3.814 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccnc4ccccc34)CC2)cc1 ZINC000535782153 934371579 /nfs/dbraw/zinc/37/15/79/934371579.db2.gz NBUZNGUNWVKHGQ-UHFFFAOYSA-N 1 1 356.473 3.814 20 30 FHEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(-c2ccccc2)n1 ZINC000535809011 934416682 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3.510 20 30 FHEDMO C=CCOc1cccc(NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000510998725 934839886 /nfs/dbraw/zinc/83/98/86/934839886.db2.gz OWVROGFUDWXNQT-UHFFFAOYSA-N 1 1 365.477 3.910 20 30 FHEDMO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000277260384 934848553 /nfs/dbraw/zinc/84/85/53/934848553.db2.gz OUWSOBKWEADFGN-HZPDHXFCSA-N 1 1 366.513 3.505 20 30 FHEDMO C[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000187717080 935018981 /nfs/dbraw/zinc/01/89/81/935018981.db2.gz FYJTYFGDFOLBHM-IBGZPJMESA-N 1 1 373.500 3.713 20 30 FHEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000548627445 935050936 /nfs/dbraw/zinc/05/09/36/935050936.db2.gz MGMJXPJWDYKTGZ-SFHVURJKSA-N 1 1 353.853 3.606 20 30 FHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC001167516538 935103505 /nfs/dbraw/zinc/10/35/05/935103505.db2.gz GCRTVUUJSZWQIK-RTWAWAEBSA-N 1 1 352.478 3.560 20 30 FHEDMO C[N@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccc(C#N)cc1 ZINC000051401085 935178162 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Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 ZINC000563244044 935248027 /nfs/dbraw/zinc/24/80/27/935248027.db2.gz NHWPXUVGLLLSPW-ZFWWWQNUSA-N 1 1 354.479 3.787 20 30 FHEDMO CCCCCCCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000728472500 935292124 /nfs/dbraw/zinc/29/21/24/935292124.db2.gz BHVFETQRIBHJJJ-GOSISDBHSA-N 1 1 359.514 3.683 20 30 FHEDMO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000611580581 935363358 /nfs/dbraw/zinc/36/33/58/935363358.db2.gz XZNFVUOXZKHCJZ-TXPKVOOTSA-N 1 1 354.498 3.571 20 30 FHEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)O)ccc1OCc1cccc(C#N)c1 ZINC000451375189 935367970 /nfs/dbraw/zinc/36/79/70/935367970.db2.gz VCDNAYKADFKBAV-INIZCTEOSA-N 1 1 368.477 3.737 20 30 FHEDMO C=CCOc1cccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000506387955 945100717 /nfs/dbraw/zinc/10/07/17/945100717.db2.gz TUNKTHPLKCVLGT-UHFFFAOYSA-N 1 1 366.490 3.578 20 30 FHEDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000127530757 935600540 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/nfs/dbraw/zinc/81/31/56/935813156.db2.gz LQTTYKUMFTZIAP-HNNXBMFYSA-N 1 1 358.835 3.898 20 30 FHEDMO CCN(C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)CC(F)(F)F ZINC000135121244 935813159 /nfs/dbraw/zinc/81/31/59/935813159.db2.gz LQTTYKUMFTZIAP-HNNXBMFYSA-N 1 1 358.835 3.898 20 30 FHEDMO CCc1[nH+]ccn1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000158569910 935839539 /nfs/dbraw/zinc/83/95/39/935839539.db2.gz VQDIZMFUWJTJRT-UHFFFAOYSA-N 1 1 365.412 3.503 20 30 FHEDMO C=CCCn1cc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)nn1 ZINC000657482578 935860255 /nfs/dbraw/zinc/86/02/55/935860255.db2.gz CLXARLGWIANJAT-HNNXBMFYSA-N 1 1 365.250 3.533 20 30 FHEDMO COc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000479918088 935917532 /nfs/dbraw/zinc/91/75/32/935917532.db2.gz NELHGEKZSRZZDB-INIZCTEOSA-N 1 1 361.445 3.683 20 30 FHEDMO COc1cccc(C2=CC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000479918088 935917534 /nfs/dbraw/zinc/91/75/34/935917534.db2.gz NELHGEKZSRZZDB-INIZCTEOSA-N 1 1 361.445 3.683 20 30 FHEDMO 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3.831 20 30 FHEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCCC2(CCCC2)C1 ZINC000782636765 940245694 /nfs/dbraw/zinc/24/56/94/940245694.db2.gz KHIIMZSNTWRAMR-KRWDZBQOSA-N 1 1 360.461 3.880 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116583 940261914 /nfs/dbraw/zinc/26/19/14/940261914.db2.gz RLVMUBOBWJLIFD-SJCJKPOMSA-N 1 1 356.297 3.868 20 30 FHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116583 940261918 /nfs/dbraw/zinc/26/19/18/940261918.db2.gz RLVMUBOBWJLIFD-SJCJKPOMSA-N 1 1 356.297 3.868 20 30 FHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466920391 940299593 /nfs/dbraw/zinc/29/95/93/940299593.db2.gz PKMVALFPGGJCCB-IUODEOHRSA-N 1 1 353.919 3.582 20 30 FHEDMO Cn1cc(CNCCC[N@@H+](C)C2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180042146 940302588 /nfs/dbraw/zinc/30/25/88/940302588.db2.gz BZCIXBWBCYXHCP-UHFFFAOYSA-N 1 1 365.525 3.703 20 30 FHEDMO NC(CCc1ccccc1)=[NH+]OCc1cccc(C(=O)N2CCCCC2)c1 ZINC000066373925 940470439 /nfs/dbraw/zinc/47/04/39/940470439.db2.gz TXTDBZIVMRNFNX-UHFFFAOYSA-N 1 1 365.477 3.734 20 30 FHEDMO Cc1ccc(C)c(OC2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000066437310 940489236 /nfs/dbraw/zinc/48/92/36/940489236.db2.gz IRDSCKYVOXECDW-AVRDEDQJSA-N 1 1 371.525 3.590 20 30 FHEDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000581101468 940493671 /nfs/dbraw/zinc/49/36/71/940493671.db2.gz IDXDZVXWSSMGIX-HNAYVOBHSA-N 1 1 366.440 3.872 20 30 FHEDMO CC(C)(C)[N@H+]1CCCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000582317784 940665214 /nfs/dbraw/zinc/66/52/14/940665214.db2.gz IKJIEJWEYAPICM-UHFFFAOYSA-N 1 1 362.399 3.834 20 30 FHEDMO CCOCCC[N@H+]1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@@H](C)C1 ZINC000613427001 940693820 /nfs/dbraw/zinc/69/38/20/940693820.db2.gz WAXYMYXPWZZHAN-FUHWJXTLSA-N 1 1 358.530 3.800 20 30 FHEDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C[C@@]2(CCOC2)O1 ZINC000330073956 945345800 /nfs/dbraw/zinc/34/58/00/945345800.db2.gz KWQYMKZJFFBHBG-NEYJZJCJSA-N 1 1 360.498 3.671 20 30 FHEDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C[C@@]2(CCOC2)O1 ZINC000330073956 945345811 /nfs/dbraw/zinc/34/58/11/945345811.db2.gz KWQYMKZJFFBHBG-NEYJZJCJSA-N 1 1 360.498 3.671 20 30 FHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651237 940764610 /nfs/dbraw/zinc/76/46/10/940764610.db2.gz JBRBXNZCCYGOQJ-HNNXBMFYSA-N 1 1 366.440 3.601 20 30 FHEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000613502894 940791361 /nfs/dbraw/zinc/79/13/61/940791361.db2.gz VYYSHLXVYWKEAI-JTHBVZDNSA-N 1 1 364.489 3.590 20 30 FHEDMO C=CC[N@H+](CCc1ccnn1C)Cc1cc(Br)ccc1F ZINC000549040974 940804138 /nfs/dbraw/zinc/80/41/38/940804138.db2.gz SUZIKRYMKLNKQM-UHFFFAOYSA-N 1 1 352.251 3.552 20 30 FHEDMO C[C@H](c1cccc(O)c1)N(C)CC#CC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000472563112 940822581 /nfs/dbraw/zinc/82/25/81/940822581.db2.gz IRGKRYBNIXOLEF-QZTJIDSGSA-N 1 1 352.478 3.787 20 30 FHEDMO C[C@H](c1cccc(O)c1)N(C)CC#CC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000472563112 940822583 /nfs/dbraw/zinc/82/25/83/940822583.db2.gz IRGKRYBNIXOLEF-QZTJIDSGSA-N 1 1 352.478 3.787 20 30 FHEDMO CC(C)[N@@H+](CCc1nccs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180221778 940834761 /nfs/dbraw/zinc/83/47/61/940834761.db2.gz VCLGXBUIIHINRQ-UHFFFAOYSA-N 1 1 365.506 3.868 20 30 FHEDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)cc(OC)c1 ZINC001167772101 945357352 /nfs/dbraw/zinc/35/73/52/945357352.db2.gz GGXWDWBQMFTHHN-IBGZPJMESA-N 1 1 365.477 3.960 20 30 FHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000330124240 945366414 /nfs/dbraw/zinc/36/64/14/945366414.db2.gz CIFGVRFBSPFLQD-MISYRCLQSA-N 1 1 373.541 3.778 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000330126336 945366904 /nfs/dbraw/zinc/36/69/04/945366904.db2.gz IQDHEHZLPNRRSS-APWZRJJASA-N 1 1 373.545 3.678 20 30 FHEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000330126336 945366917 /nfs/dbraw/zinc/36/69/17/945366917.db2.gz IQDHEHZLPNRRSS-APWZRJJASA-N 1 1 373.545 3.678 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000330126336 945366929 /nfs/dbraw/zinc/36/69/29/945366929.db2.gz IQDHEHZLPNRRSS-APWZRJJASA-N 1 1 373.545 3.678 20 30 FHEDMO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(c3nnc4n3CCCC4)CC2)[C@@H]1C ZINC000330127654 945368186 /nfs/dbraw/zinc/36/81/86/945368186.db2.gz DEZKGZFMPCHUIW-NUJGCVRESA-N 1 1 373.545 3.575 20 30 FHEDMO N#Cc1ccc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180566499 941043792 /nfs/dbraw/zinc/04/37/92/941043792.db2.gz LLJAVIDMWYXQFD-MRXNPFEDSA-N 1 1 365.330 3.919 20 30 FHEDMO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-n2cccn2)cc1 ZINC000180821248 941080993 /nfs/dbraw/zinc/08/09/93/941080993.db2.gz UEPHPEPKULOUDD-HNNXBMFYSA-N 1 1 370.416 3.645 20 30 FHEDMO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1n1ccnc1 ZINC000181184012 941112434 /nfs/dbraw/zinc/11/24/34/941112434.db2.gz BPVMLFILADQCGN-GUYCJALGSA-N 1 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941403782 /nfs/dbraw/zinc/40/37/82/941403782.db2.gz VBKRPJDDVTVUTH-UHFFFAOYSA-N 1 1 373.456 3.862 20 30 FHEDMO N#CC1(CCC[N@@H+]2CCc3cc(Br)sc3C2)CCOCC1 ZINC000376750893 941412617 /nfs/dbraw/zinc/41/26/17/941412617.db2.gz MWNUCKIRCYOFMN-UHFFFAOYSA-N 1 1 369.328 3.969 20 30 FHEDMO N#CC1(CCC[N@H+]2CCc3cc(Br)sc3C2)CCOCC1 ZINC000376750893 941412619 /nfs/dbraw/zinc/41/26/19/941412619.db2.gz MWNUCKIRCYOFMN-UHFFFAOYSA-N 1 1 369.328 3.969 20 30 FHEDMO CCN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376996241 941486451 /nfs/dbraw/zinc/48/64/51/941486451.db2.gz VKPWNZKBKKIVQL-LJQANCHMSA-N 1 1 356.514 3.622 20 30 FHEDMO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000414958256 941523063 /nfs/dbraw/zinc/52/30/63/941523063.db2.gz RMQAPBMGERQBHX-PCCBWWKXSA-N 1 1 357.457 3.673 20 30 FHEDMO C=CCOc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415123600 941619048 /nfs/dbraw/zinc/61/90/48/941619048.db2.gz LLQQGTYRWKINFU-FXAWDEMLSA-N 1 1 364.917 3.623 20 30 FHEDMO Cn1cc[nH+]c1[C@H]1CCCN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000365549795 941627203 /nfs/dbraw/zinc/62/72/03/941627203.db2.gz FGVKLFWOXVUDDP-ZDUSSCGKSA-N 1 1 351.841 3.877 20 30 FHEDMO C[C@@H](CCNC(=O)Nc1ccc(F)c(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000472727308 941642751 /nfs/dbraw/zinc/64/27/51/941642751.db2.gz NUIXXPMDADTOAP-HNNXBMFYSA-N 1 1 354.429 3.729 20 30 FHEDMO CN1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@H]1c1ccccc1Cl ZINC000377521919 941782543 /nfs/dbraw/zinc/78/25/43/941782543.db2.gz AVAPCDAVKJAZGC-IBGZPJMESA-N 1 1 361.917 3.729 20 30 FHEDMO CC1(C)CCC[N@@H+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458839414 941798912 /nfs/dbraw/zinc/79/89/12/941798912.db2.gz MUBWZCLUDGGQAD-IBGZPJMESA-N 1 1 356.514 3.843 20 30 FHEDMO CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000330132151 941814980 /nfs/dbraw/zinc/81/49/80/941814980.db2.gz QDIPBQAWENJZJZ-URLQWDBASA-N 1 1 359.518 3.657 20 30 FHEDMO CC(C)NC(=O)N1CCCCC[C@@H]1C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000377661367 941876624 /nfs/dbraw/zinc/87/66/24/941876624.db2.gz FOVRXYQNKJMNBQ-AZUAARDMSA-N 1 1 373.545 3.505 20 30 FHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOC[C@@H](C)C3)sc2C1 ZINC000328672507 941961431 /nfs/dbraw/zinc/96/14/31/941961431.db2.gz IFQPGKYSDUMVJE-KGLIPLIRSA-N 1 1 361.511 3.691 20 30 FHEDMO N#C[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@@]12c1ccccc1NC2=O ZINC000513589617 942030127 /nfs/dbraw/zinc/03/01/27/942030127.db2.gz YTVIOLJSYRNDLN-JPYJTQIMSA-N 1 1 353.425 3.685 20 30 FHEDMO N#C[C@H]1C[N@H+](Cc2cccc3ccccc32)C[C@]12c1ccccc1NC2=O ZINC000513589616 942030303 /nfs/dbraw/zinc/03/03/03/942030303.db2.gz YTVIOLJSYRNDLN-FDDCHVKYSA-N 1 1 353.425 3.685 20 30 FHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000377852826 942035946 /nfs/dbraw/zinc/03/59/46/942035946.db2.gz UKVRUTYHJCJAGR-HTAPYJJXSA-N 1 1 368.452 3.544 20 30 FHEDMO CC[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000290354737 942039953 /nfs/dbraw/zinc/03/99/53/942039953.db2.gz QIAZRLPGJGDIKJ-HXUWFJFHSA-N 1 1 352.482 3.525 20 30 FHEDMO N#Cc1cccc(NC(=O)CC[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000434052956 942056810 /nfs/dbraw/zinc/05/68/10/942056810.db2.gz LZNNDPFUXVQFND-SFHVURJKSA-N 1 1 369.490 3.630 20 30 FHEDMO C#CCCOc1ccc(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)cc1 ZINC000377900932 942060723 /nfs/dbraw/zinc/06/07/23/942060723.db2.gz CMTFMTACTNHKNC-UHFFFAOYSA-N 1 1 363.505 3.580 20 30 FHEDMO CCN(C(=O)Cc1ccc(C#N)cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501960884 942137375 /nfs/dbraw/zinc/13/73/75/942137375.db2.gz KUKBPMXNGUNZLI-GCJKJVERSA-N 1 1 361.489 3.785 20 30 FHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C#N)s1 ZINC000420830417 942216680 /nfs/dbraw/zinc/21/66/80/942216680.db2.gz HZMMQWPZUNKNTB-LJQANCHMSA-N 1 1 370.522 3.576 20 30 FHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCO2)c1C#N ZINC000187825704 942228405 /nfs/dbraw/zinc/22/84/05/942228405.db2.gz YUOTZBYCJLONMZ-SFHVURJKSA-N 1 1 372.513 3.531 20 30 FHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCO2)c1C#N ZINC000187825704 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FHEDMO C[C@@H](C[NH+]1CCC(C)CC1)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000517042534 943944826 /nfs/dbraw/zinc/94/48/26/943944826.db2.gz XPGLWLVOAOSKLB-IBGZPJMESA-N 1 1 365.525 3.674 20 30 FHEDMO Cc1ccc2cc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)ccc2n1 ZINC000437584630 943945206 /nfs/dbraw/zinc/94/52/06/943945206.db2.gz XPHQBMMPIHJXDX-QHCPKHFHSA-N 1 1 356.473 3.926 20 30 FHEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3F)c(F)c2)C1=O ZINC000500017253 943955929 /nfs/dbraw/zinc/95/59/29/943955929.db2.gz JBMRWBKWGQDLCX-SFHVURJKSA-N 1 1 372.415 3.976 20 30 FHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3F)c(F)c2)C1=O ZINC000500017253 943955934 /nfs/dbraw/zinc/95/59/34/943955934.db2.gz JBMRWBKWGQDLCX-SFHVURJKSA-N 1 1 372.415 3.976 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@H](C)C2)c1 ZINC000515505550 943957114 /nfs/dbraw/zinc/95/71/14/943957114.db2.gz FFYWQCRSRLXMJL-IAGOWNOFSA-N 1 1 363.452 3.916 20 30 FHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@H](C)C2)c1 ZINC000515505550 943957117 /nfs/dbraw/zinc/95/71/17/943957117.db2.gz FFYWQCRSRLXMJL-IAGOWNOFSA-N 1 1 363.452 3.916 20 30 FHEDMO C[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000511640770 943959930 /nfs/dbraw/zinc/95/99/30/943959930.db2.gz OTPBSINZMWIDEC-INIZCTEOSA-N 1 1 367.468 3.612 20 30 FHEDMO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000437605154 943962366 /nfs/dbraw/zinc/96/23/66/943962366.db2.gz RIVAWPNEYCHAAO-GCJKJVERSA-N 1 1 358.526 3.764 20 30 FHEDMO COc1ccccc1C[N@@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000515547161 943980789 /nfs/dbraw/zinc/98/07/89/943980789.db2.gz SLNKUNSAHCUNRE-NRFANRHFSA-N 1 1 366.461 3.627 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000500041770 943996728 /nfs/dbraw/zinc/99/67/28/943996728.db2.gz XPQGENNNHFEYHG-SJORKVTESA-N 1 1 362.477 3.993 20 30 FHEDMO Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000500041764 943996839 /nfs/dbraw/zinc/99/68/39/943996839.db2.gz XPQGENNNHFEYHG-DLBZAZTESA-N 1 1 362.477 3.993 20 30 FHEDMO CC[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000436101849 944016803 /nfs/dbraw/zinc/01/68/03/944016803.db2.gz MLPQFJZBMLJSJO-JOCHJYFZSA-N 1 1 373.500 3.543 20 30 FHEDMO C=CCC1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CCOCC1 ZINC000424644255 944030885 /nfs/dbraw/zinc/03/08/85/944030885.db2.gz RNNDCLAFVPCMEE-UHFFFAOYSA-N 1 1 370.537 3.526 20 30 FHEDMO C[NH+](C)Cc1ccc(NC(=O)c2cscc2C#N)cc1Br ZINC000505095376 944035034 /nfs/dbraw/zinc/03/50/34/944035034.db2.gz XWARAGHFGIMHHU-UHFFFAOYSA-N 1 1 364.268 3.696 20 30 FHEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000424678142 944058490 /nfs/dbraw/zinc/05/84/90/944058490.db2.gz BHQLGZVYAGFTLN-SJLPKXTDSA-N 1 1 362.539 3.620 20 30 FHEDMO CC(C)CCN(CCC#N)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000505159654 944086630 /nfs/dbraw/zinc/08/66/30/944086630.db2.gz ITZQRAYXWBRMSQ-KDURUIRLSA-N 1 1 371.525 3.698 20 30 FHEDMO CC(C)CCN(CCC#N)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000505159654 944086638 /nfs/dbraw/zinc/08/66/38/944086638.db2.gz ITZQRAYXWBRMSQ-KDURUIRLSA-N 1 1 371.525 3.698 20 30 FHEDMO Cc1c(C#N)c(Br)ccc1NCc1ncc(C[NH+](C)C)s1 ZINC000424727566 944090362 /nfs/dbraw/zinc/09/03/62/944090362.db2.gz WFLFXRZEKBUGNI-UHFFFAOYSA-N 1 1 365.300 3.759 20 30 FHEDMO C=C(C)COc1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)ccc1OC ZINC000506128886 944096128 /nfs/dbraw/zinc/09/61/28/944096128.db2.gz MVRMRAOIDXZDFE-UHFFFAOYSA-N 1 1 368.477 3.678 20 30 FHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000500174758 944213052 /nfs/dbraw/zinc/21/30/52/944213052.db2.gz WBEXIISHAYSQAQ-NQIIRXRSSA-N 1 1 353.510 3.771 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000425532233 944259148 /nfs/dbraw/zinc/25/91/48/944259148.db2.gz ISVVSUVOONXECB-VZLUNSFSSA-N 1 1 351.494 3.636 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000425532233 944259154 /nfs/dbraw/zinc/25/91/54/944259154.db2.gz ISVVSUVOONXECB-VZLUNSFSSA-N 1 1 351.494 3.636 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000425533891 944260157 /nfs/dbraw/zinc/26/01/57/944260157.db2.gz FNKMIDJGYKMBKU-ZDUSSCGKSA-N 1 1 361.898 3.925 20 30 FHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000425533891 944260164 /nfs/dbraw/zinc/26/01/64/944260164.db2.gz FNKMIDJGYKMBKU-ZDUSSCGKSA-N 1 1 361.898 3.925 20 30 FHEDMO Cc1cc2ncn(C[C@@H](O)C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)c2cc1C ZINC000425533059 944262435 /nfs/dbraw/zinc/26/24/35/944262435.db2.gz KCOGQXFJOWSEIK-PXNSSMCTSA-N 1 1 362.477 3.579 20 30 FHEDMO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529873 944263017 /nfs/dbraw/zinc/26/30/17/944263017.db2.gz CVLNOJVHTPFHCG-AWEZNQCLSA-N 1 1 355.404 3.598 20 30 FHEDMO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529873 944263026 /nfs/dbraw/zinc/26/30/26/944263026.db2.gz CVLNOJVHTPFHCG-AWEZNQCLSA-N 1 1 355.404 3.598 20 30 FHEDMO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1C#N ZINC000550011720 944276345 /nfs/dbraw/zinc/27/63/45/944276345.db2.gz ZQARPLSULWISBM-QGZVFWFLSA-N 1 1 370.836 3.652 20 30 FHEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1C#N ZINC000550011720 944276350 /nfs/dbraw/zinc/27/63/50/944276350.db2.gz ZQARPLSULWISBM-QGZVFWFLSA-N 1 1 370.836 3.652 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000425536852 944281999 /nfs/dbraw/zinc/28/19/99/944281999.db2.gz PLALTXWLHVVXBM-OAHLLOKOSA-N 1 1 351.454 3.501 20 30 FHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000425536852 944282002 /nfs/dbraw/zinc/28/20/02/944282002.db2.gz PLALTXWLHVVXBM-OAHLLOKOSA-N 1 1 351.454 3.501 20 30 FHEDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000184234296 944306671 /nfs/dbraw/zinc/30/66/71/944306671.db2.gz XYSVLUYTWZBXDH-UHFFFAOYSA-N 1 1 364.449 3.908 20 30 FHEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)CCc1cccc(F)c1 ZINC000500236167 944315888 /nfs/dbraw/zinc/31/58/88/944315888.db2.gz MUBQAEOXXJLEDZ-UHFFFAOYSA-N 1 1 353.441 3.981 20 30 FHEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000500236681 944317086 /nfs/dbraw/zinc/31/70/86/944317086.db2.gz BMZIYYFHHYLUSN-QFIPXVFZSA-N 1 1 361.489 3.949 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc2cc(C#N)c(C#N)cc2nc1Cl ZINC001167751142 944337200 /nfs/dbraw/zinc/33/72/00/944337200.db2.gz GJPVGSJGXVHYHY-CYBMUJFWSA-N 1 1 368.872 3.703 20 30 FHEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1Cl ZINC000505831369 944346237 /nfs/dbraw/zinc/34/62/37/944346237.db2.gz JALTUZAKEVYVEG-OAHLLOKOSA-N 1 1 369.852 3.551 20 30 FHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1Cl ZINC000505831369 944346244 /nfs/dbraw/zinc/34/62/44/944346244.db2.gz JALTUZAKEVYVEG-OAHLLOKOSA-N 1 1 369.852 3.551 20 30 FHEDMO CCn1cc(NCCC[N@H+]2CCCC[C@H]2C)c2sc(C#N)cc2c1=O ZINC001167753221 944370847 /nfs/dbraw/zinc/37/08/47/944370847.db2.gz FEFUZADVPGPVRQ-CQSZACIVSA-N 1 1 358.511 3.631 20 30 FHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1OC ZINC000425957492 944405826 /nfs/dbraw/zinc/40/58/26/944405826.db2.gz IURVULSHIZYGKQ-QGZVFWFLSA-N 1 1 372.440 3.838 20 30 FHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1OC ZINC000425957492 944405831 /nfs/dbraw/zinc/40/58/31/944405831.db2.gz IURVULSHIZYGKQ-QGZVFWFLSA-N 1 1 372.440 3.838 20 30 FHEDMO N#CCCCCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000517600764 944435112 /nfs/dbraw/zinc/43/51/12/944435112.db2.gz XDWZESWFMNUKSB-GOSISDBHSA-N 1 1 362.905 3.688 20 30 FHEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000120703651 944492340 /nfs/dbraw/zinc/49/23/40/944492340.db2.gz UURABUJBBKQTRA-GOSISDBHSA-N 1 1 357.816 3.588 20 30 FHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000120703651 944492344 /nfs/dbraw/zinc/49/23/44/944492344.db2.gz UURABUJBBKQTRA-GOSISDBHSA-N 1 1 357.816 3.588 20 30 FHEDMO C=CCN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H](C)COC ZINC000664841601 944492464 /nfs/dbraw/zinc/49/24/64/944492464.db2.gz RNEJSUFZVVNIBQ-QUCCMNQESA-N 1 1 373.541 3.520 20 30 FHEDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000543582326 944494573 /nfs/dbraw/zinc/49/45/73/944494573.db2.gz QKFCISFYKPTTNS-SFHVURJKSA-N 1 1 362.477 3.764 20 30 FHEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000439320069 944526069 /nfs/dbraw/zinc/52/60/69/944526069.db2.gz OAKJYHFOYBNVAW-QMMLZNLJSA-N 1 1 350.462 3.566 20 30 FHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759842864 944531508 /nfs/dbraw/zinc/53/15/08/944531508.db2.gz DXIYNMWIRUWWSN-LJQANCHMSA-N 1 1 362.832 3.533 20 30 FHEDMO FC(F)(F)C(F)(F)C(F)(F)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961123 944553823 /nfs/dbraw/zinc/55/38/23/944553823.db2.gz FLKWYBAHMMIHBL-YOGCLGLASA-N 1 1 362.333 3.814 20 30 FHEDMO Cc1cccc(NC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)[nH+]1 ZINC000364404738 944594446 /nfs/dbraw/zinc/59/44/46/944594446.db2.gz CXTRVUQOIQIBNR-UHFFFAOYSA-N 1 1 353.401 3.509 20 30 FHEDMO N#Cc1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000439422787 944594520 /nfs/dbraw/zinc/59/45/20/944594520.db2.gz NPWBSAHYZDRWES-UHFFFAOYSA-N 1 1 358.844 3.920 20 30 FHEDMO COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439431673 944607727 /nfs/dbraw/zinc/60/77/27/944607727.db2.gz NSHNKQGYZWNLHB-UHFFFAOYSA-N 1 1 368.864 3.918 20 30 FHEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)n1 ZINC000439439345 944617457 /nfs/dbraw/zinc/61/74/57/944617457.db2.gz MOFSBHCVDPOPNR-KRWDZBQOSA-N 1 1 368.868 3.766 20 30 FHEDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)C1 ZINC000439439518 944617562 /nfs/dbraw/zinc/61/75/62/944617562.db2.gz MJMUMYXYVRFFDB-HNNXBMFYSA-N 1 1 359.901 3.682 20 30 FHEDMO C=CCC[N@H+](C)Cc1cc(C)cc(Br)c1OCC(=O)OCC ZINC000467370348 944626921 /nfs/dbraw/zinc/62/69/21/944626921.db2.gz PQXXZUYJVBUNJP-UHFFFAOYSA-N 1 1 370.287 3.707 20 30 FHEDMO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000516258108 944647175 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Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000518789459 944770087 /nfs/dbraw/zinc/77/00/87/944770087.db2.gz UTURRBPHFYNJMH-SFHVURJKSA-N 1 1 357.457 3.657 20 30 FHEDMO C=C(C)[C@H](NC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)c1ccc(F)c(F)c1 ZINC000664702000 944777522 /nfs/dbraw/zinc/77/75/22/944777522.db2.gz LFXMJOLKHNAFRG-YJBOKZPZSA-N 1 1 351.441 3.708 20 30 FHEDMO C[C@]12C[N@@H+](CC(=O)Nc3ccccc3SCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000516395711 944814731 /nfs/dbraw/zinc/81/47/31/944814731.db2.gz FSTNJKTXZAHENQ-NARAOEGZSA-N 1 1 355.507 3.609 20 30 FHEDMO C[C@H]([N@H+](Cc1ccccc1)C[C@@H]1CNc2c(C#N)cnn2C1)C(C)(C)C ZINC000517936932 944850136 /nfs/dbraw/zinc/85/01/36/944850136.db2.gz CKNHXZFRIUMAEW-WMZOPIPTSA-N 1 1 351.498 3.733 20 30 FHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000120720191 944854154 /nfs/dbraw/zinc/85/41/54/944854154.db2.gz JEAODROIALETHV-UHFFFAOYSA-N 1 1 354.450 3.996 20 30 FHEDMO COc1ccc(C[N@@H+](C)C2Cc3ccccc3C2)cc1OCCCC#N ZINC000511662673 944869579 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ZINC000186556120 946552015 /nfs/dbraw/zinc/55/20/15/946552015.db2.gz QGWNXXOQAYKKOY-MRXNPFEDSA-N 1 1 357.473 3.814 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000532584857 946556754 /nfs/dbraw/zinc/55/67/54/946556754.db2.gz ZJWOERBWXWORSG-CTNGQTDRSA-N 1 1 361.489 3.886 20 30 FHEDMO C=CCOc1cccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000475547799 946617107 /nfs/dbraw/zinc/61/71/07/946617107.db2.gz ILUNAFVYMZWPIZ-KRWDZBQOSA-N 1 1 367.367 3.973 20 30 FHEDMO C=CCOc1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000475567334 946667414 /nfs/dbraw/zinc/66/74/14/946667414.db2.gz WIVYPYIJCTVJQI-KRWDZBQOSA-N 1 1 367.367 3.973 20 30 FHEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1N1CCOCC1 ZINC000596979804 946683889 /nfs/dbraw/zinc/68/38/89/946683889.db2.gz IGLCEVFIYFLKJL-UHFFFAOYSA-N 1 1 361.489 3.710 20 30 FHEDMO Cc1cccc2nc(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)[nH]c21 ZINC000305737998 946863812 /nfs/dbraw/zinc/86/38/12/946863812.db2.gz YTBHRHFVDZJCQB-UHFFFAOYSA-N 1 1 363.343 3.697 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(OC(F)F)c1 ZINC000473157748 946873510 /nfs/dbraw/zinc/87/35/10/946873510.db2.gz GGWRAVCULQUGKE-FQEVSTJZSA-N 1 1 356.372 3.791 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(OC(F)F)c1 ZINC000473157748 946873516 /nfs/dbraw/zinc/87/35/16/946873516.db2.gz GGWRAVCULQUGKE-FQEVSTJZSA-N 1 1 356.372 3.791 20 30 FHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550391236 946894489 /nfs/dbraw/zinc/89/44/89/946894489.db2.gz ALXYQWNROCHPQP-IBGZPJMESA-N 1 1 369.852 3.694 20 30 FHEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000550386896 946908889 /nfs/dbraw/zinc/90/88/89/946908889.db2.gz OMYBAOFKPYFBBM-LJQANCHMSA-N 1 1 360.461 3.760 20 30 FHEDMO CCC[NH+]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000520432359 946933422 /nfs/dbraw/zinc/93/34/22/946933422.db2.gz LRMUKMFSFDKXSB-UHFFFAOYSA-N 1 1 365.502 3.877 20 30 FHEDMO C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000125608397 946942643 /nfs/dbraw/zinc/94/26/43/946942643.db2.gz LDCRIOQJYQDPSB-FIKGOQFSSA-N 1 1 362.477 3.581 20 30 FHEDMO Cc1csc([C@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000328605603 946955258 /nfs/dbraw/zinc/95/52/58/946955258.db2.gz JTPFMXDTDYTSDE-RHSMWYFYSA-N 1 1 364.559 3.856 20 30 FHEDMO Cc1nc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)sc1C ZINC000328612855 946958238 /nfs/dbraw/zinc/95/82/38/946958238.db2.gz PVDBRMNRVYFPGM-MRXNPFEDSA-N 1 1 350.532 3.561 20 30 FHEDMO CCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CC[N@@H+](CC)C1 ZINC000598038596 946958492 /nfs/dbraw/zinc/95/84/92/946958492.db2.gz DYMFXSCBJXWMOO-KRWDZBQOSA-N 1 1 352.482 3.501 20 30 FHEDMO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000328672398 946974604 /nfs/dbraw/zinc/97/46/04/946974604.db2.gz OGRBBXWHJLJDJJ-FNHZYXHNSA-N 1 1 358.482 3.781 20 30 FHEDMO Cn1ncc2c1C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)CC2 ZINC000328687824 946988114 /nfs/dbraw/zinc/98/81/14/946988114.db2.gz ZIZZNKMZGJOAPT-LJHODMEESA-N 1 1 372.900 3.580 20 30 FHEDMO Cn1ncc2c1C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)CC2 ZINC000328687824 946988122 /nfs/dbraw/zinc/98/81/22/946988122.db2.gz ZIZZNKMZGJOAPT-LJHODMEESA-N 1 1 372.900 3.580 20 30 FHEDMO CC(C)C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)C2(C)C)[NH+]1CCOCC1 ZINC000328687026 946988425 /nfs/dbraw/zinc/98/84/25/946988425.db2.gz GRGSEOAMUCVGPI-INIZCTEOSA-N 1 1 373.497 3.617 20 30 FHEDMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@]2(C)CCc3ccccc3C2)CC1 ZINC000328717245 947002742 /nfs/dbraw/zinc/00/27/42/947002742.db2.gz FGCYJTDDPMWLCJ-OAQYLSRUSA-N 1 1 352.482 3.541 20 30 FHEDMO C[C@@H]1C[C@@H](NC(=O)c2coc(C3CCOCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000328743508 947007438 /nfs/dbraw/zinc/00/74/38/947007438.db2.gz NLOPKKYMKVFUMC-CRAIPNDOSA-N 1 1 369.465 3.536 20 30 FHEDMO Cn1nccc1[C@@H]1CCC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000328747069 947008342 /nfs/dbraw/zinc/00/83/42/947008342.db2.gz PXOMGOVAYSRXHN-IGDKPHCXSA-N 1 1 356.514 3.525 20 30 FHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1 ZINC000328765194 947017090 /nfs/dbraw/zinc/01/70/90/947017090.db2.gz AMBRXWSZENIUAF-QAPCUYQASA-N 1 1 369.465 3.709 20 30 FHEDMO CC[C@@H]1CCCCN1C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000328777570 947023310 /nfs/dbraw/zinc/02/33/10/947023310.db2.gz LLKXXJMSKHQEAA-QZTJIDSGSA-N 1 1 360.502 3.649 20 30 FHEDMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328816595 947035208 /nfs/dbraw/zinc/03/52/08/947035208.db2.gz NXBAXFGRXHABBC-SKBHOOIQSA-N 1 1 368.477 3.678 20 30 FHEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328789935 947048582 /nfs/dbraw/zinc/04/85/82/947048582.db2.gz QBSSHZYASDIJFW-DOTOQJQBSA-N 1 1 374.481 3.573 20 30 FHEDMO Cc1ccc(C(=O)N2CCC(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000328799415 947051460 /nfs/dbraw/zinc/05/14/60/947051460.db2.gz XOGFZBDPHIDTIY-SFHVURJKSA-N 1 1 371.525 3.821 20 30 FHEDMO O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000328860660 947070540 /nfs/dbraw/zinc/07/05/40/947070540.db2.gz AKPGSDZDQYZGEV-MJGOQNOKSA-N 1 1 373.472 3.685 20 30 FHEDMO Cn1cc([C@@H]2CCC[N@H+]2CCC(=O)N[C@H]2CCCc3ccccc32)cn1 ZINC000328936119 947092205 /nfs/dbraw/zinc/09/22/05/947092205.db2.gz JJJFRQVIMORBJW-PMACEKPBSA-N 1 1 352.482 3.981 20 30 FHEDMO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC12CCCCC2 ZINC000328947829 947097919 /nfs/dbraw/zinc/09/79/19/947097919.db2.gz BOVNQSUJWZQKGK-HFCFLWKCSA-N 1 1 363.546 3.777 20 30 FHEDMO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC12CCCCC2 ZINC000328947829 947097929 /nfs/dbraw/zinc/09/79/29/947097929.db2.gz BOVNQSUJWZQKGK-HFCFLWKCSA-N 1 1 363.546 3.777 20 30 FHEDMO C[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000328955709 947101144 /nfs/dbraw/zinc/10/11/44/947101144.db2.gz JAAIPMORGRZNKJ-IEBWSBKVSA-N 1 1 371.525 3.747 20 30 FHEDMO COC(=O)[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H]1C ZINC000444700370 947127620 /nfs/dbraw/zinc/12/76/20/947127620.db2.gz GARFAROHGVUCTN-WIYYLYMNSA-N 1 1 362.473 3.770 20 30 FHEDMO C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000508505528 947147713 /nfs/dbraw/zinc/14/77/13/947147713.db2.gz CJUCFVOMMMCKBU-INIZCTEOSA-N 1 1 373.570 3.997 20 30 FHEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000049789634 947155059 /nfs/dbraw/zinc/15/50/59/947155059.db2.gz MYZJFEWQKSFBQL-FQEVSTJZSA-N 1 1 367.493 3.696 20 30 FHEDMO CCOC(=O)c1cc(C)sc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000330405950 947168499 /nfs/dbraw/zinc/16/84/99/947168499.db2.gz QQSIZHWRZSROHO-GXTWGEPZSA-N 1 1 367.515 3.583 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)C[C@H]1C ZINC000330501567 947203501 /nfs/dbraw/zinc/20/35/01/947203501.db2.gz UXLKYNHQAJYIEN-KGLIPLIRSA-N 1 1 371.476 3.827 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000662085991 947222404 /nfs/dbraw/zinc/22/24/04/947222404.db2.gz NHNJMKDFSVRVRU-KDURUIRLSA-N 1 1 350.466 3.611 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000662085991 947222412 /nfs/dbraw/zinc/22/24/12/947222412.db2.gz NHNJMKDFSVRVRU-KDURUIRLSA-N 1 1 350.466 3.611 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000662085575 947222991 /nfs/dbraw/zinc/22/29/91/947222991.db2.gz HMQCFUYVCJIPKE-RLLQIKCJSA-N 1 1 364.493 3.999 20 30 FHEDMO C=CC[C@H]1[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CCCC1(C)C ZINC000444794456 947232742 /nfs/dbraw/zinc/23/27/42/947232742.db2.gz VXDDGLNFJZYWND-GOSISDBHSA-N 1 1 350.528 3.504 20 30 FHEDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000444798788 947234676 /nfs/dbraw/zinc/23/46/76/947234676.db2.gz GGRCIIRGLWJFBA-HXUWFJFHSA-N 1 1 368.502 3.624 20 30 FHEDMO C=CCn1c(CCCC)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508508550 947242843 /nfs/dbraw/zinc/24/28/43/947242843.db2.gz XAZQIELSCXMNMU-HXUWFJFHSA-N 1 1 367.541 3.765 20 30 FHEDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330705537 947253538 /nfs/dbraw/zinc/25/35/38/947253538.db2.gz NQJWJFIJTQBHTQ-CHWSQXEVSA-N 1 1 351.472 3.883 20 30 FHEDMO COc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1C(C)C ZINC000330707727 947254978 /nfs/dbraw/zinc/25/49/78/947254978.db2.gz MWIZQLXGQWJTIO-ZBFHGGJFSA-N 1 1 363.502 3.787 20 30 FHEDMO Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000523451382 947255519 /nfs/dbraw/zinc/25/55/19/947255519.db2.gz BJYIBVODOLFAJZ-FDDCHVKYSA-N 1 1 361.489 3.956 20 30 FHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000523448957 947277956 /nfs/dbraw/zinc/27/79/56/947277956.db2.gz RBGPYTQMTAMCQW-GOSISDBHSA-N 1 1 352.409 3.671 20 30 FHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000440578233 947287717 /nfs/dbraw/zinc/28/77/17/947287717.db2.gz WCCSVPAQAKLRGV-SJORKVTESA-N 1 1 361.486 3.622 20 30 FHEDMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000440578233 947287707 /nfs/dbraw/zinc/28/77/07/947287707.db2.gz 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C=CCCCC[N@@H+]1CCC[C@@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001209200095 929493333 /nfs/dbraw/zinc/49/33/33/929493333.db2.gz GITKKCFYWWXDPF-QFIPXVFZSA-N 1 1 358.526 3.970 20 30 FHEDMO C[N@@H+](CCCNc1c(C#N)cnc2c(F)ccc(F)c21)Cc1ccccc1 ZINC000610245214 929529923 /nfs/dbraw/zinc/52/99/23/929529923.db2.gz ITYFOCCTNLQRAP-UHFFFAOYSA-N 1 1 366.415 3.741 20 30 FHEDMO COc1cccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1OC(C)C ZINC000548791852 937349207 /nfs/dbraw/zinc/34/92/07/937349207.db2.gz ZWEPMBSJXOJXBA-UHFFFAOYSA-N 1 1 365.477 3.935 20 30 FHEDMO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(OC)c(C#N)c1 ZINC000134966588 929694220 /nfs/dbraw/zinc/69/42/20/929694220.db2.gz QJGQQUAVNZTJBU-UHFFFAOYSA-N 1 1 351.450 3.726 20 30 FHEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(OC)c(C#N)c1 ZINC000134966588 929694226 /nfs/dbraw/zinc/69/42/26/929694226.db2.gz QJGQQUAVNZTJBU-UHFFFAOYSA-N 1 1 351.450 3.726 20 30 FHEDMO COc1ccc(C)cc1C[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000610337640 930029641 /nfs/dbraw/zinc/02/96/41/930029641.db2.gz 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C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000181298421 934641855 /nfs/dbraw/zinc/64/18/55/934641855.db2.gz OHMCRSOFOTYJKY-GFCCVEGCSA-N 1 1 360.439 3.553 20 30 FHEDMO COc1ccc(C([NH2+]Cc2ccnc(C#N)c2)c2ccc(OC)cc2)cc1 ZINC000610956242 934655556 /nfs/dbraw/zinc/65/55/56/934655556.db2.gz ZRJMJXRGYZPBNJ-UHFFFAOYSA-N 1 1 359.429 3.850 20 30 FHEDMO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610994270 934738819 /nfs/dbraw/zinc/73/88/19/934738819.db2.gz QCBFVQBHWUSGEQ-UHFFFAOYSA-N 1 1 368.506 3.532 20 30 FHEDMO C=CCn1c(SCCCc2c[nH+]cn2C)nnc1-c1ccccc1OC ZINC000657232700 934785303 /nfs/dbraw/zinc/78/53/03/934785303.db2.gz JPAPPPRWMRMIKO-UHFFFAOYSA-N 1 1 369.494 3.598 20 30 FHEDMO CC[C@@H](C)c1nnc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000277260378 934848773 /nfs/dbraw/zinc/84/87/73/934848773.db2.gz OUWSOBKWEADFGN-CVEARBPZSA-N 1 1 366.513 3.505 20 30 FHEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cnc(C)s1 ZINC000041665584 934900540 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COC(=O)c1cccc(C[N@@H+](C)C[C@H](C)Cc2ccc(OC)cc2)c1C#N ZINC000551650029 935324194 /nfs/dbraw/zinc/32/41/94/935324194.db2.gz BLBQZESSCDZRGN-MRXNPFEDSA-N 1 1 366.461 3.664 20 30 FHEDMO C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611580575 935363206 /nfs/dbraw/zinc/36/32/06/935363206.db2.gz XZNFVUOXZKHCJZ-FCEWJHQRSA-N 1 1 354.498 3.571 20 30 FHEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H]1c1ccccc1 ZINC000582302440 935501462 /nfs/dbraw/zinc/50/14/62/935501462.db2.gz VISJEAQIHBCABZ-RBUKOAKNSA-N 1 1 352.434 3.709 20 30 FHEDMO Clc1ccccc1C#CC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000135072601 935643836 /nfs/dbraw/zinc/64/38/36/935643836.db2.gz ODIGZGHIASQMLE-UHFFFAOYSA-N 1 1 350.853 3.614 20 30 FHEDMO Cc1ccc(C#N)c(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000127615932 935660537 /nfs/dbraw/zinc/66/05/37/935660537.db2.gz KFLVMXRLDNAKAI-UHFFFAOYSA-N 1 1 374.410 3.993 20 30 FHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000065549303 935720337 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CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000472237714 935916411 /nfs/dbraw/zinc/91/64/11/935916411.db2.gz GRQOPZZTWYHDDR-UNMCSNQZSA-N 1 1 361.489 3.690 20 30 FHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCc1ccc(F)cc1 ZINC000065595646 935931319 /nfs/dbraw/zinc/93/13/19/935931319.db2.gz MRDVNTVUIGNSDW-CYBMUJFWSA-N 1 1 359.832 3.852 20 30 FHEDMO CC[N@H+]1CCCN(c2c(C#N)cnc3c(Br)c(C)ccc32)CC1 ZINC000479991749 935937402 /nfs/dbraw/zinc/93/74/02/935937402.db2.gz SXDOORUOFAXWCN-UHFFFAOYSA-N 1 1 373.298 3.709 20 30 FHEDMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC000934610106 936005615 /nfs/dbraw/zinc/00/56/15/936005615.db2.gz HAZCYKGWQCMTDT-XKQJLSEDSA-N 1 1 359.445 3.575 20 30 FHEDMO CCN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000582733699 936026947 /nfs/dbraw/zinc/02/69/47/936026947.db2.gz AFGMUIMILGOAJA-GCJKJVERSA-N 1 1 361.489 3.990 20 30 FHEDMO CC[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000472261029 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361.489 3.808 20 30 FHEDMO Cc1c([C@@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)cnn1C ZINC000091967015 939884895 /nfs/dbraw/zinc/88/48/95/939884895.db2.gz QFDVJVCYSIXIMX-NRFANRHFSA-N 1 1 374.492 3.843 20 30 FHEDMO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)cc1 ZINC000179653727 939913856 /nfs/dbraw/zinc/91/38/56/939913856.db2.gz HKKCDAKZAWXQTI-UHFFFAOYSA-N 1 1 364.445 3.670 20 30 FHEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H](CO)c1cccc(Br)c1 ZINC000179738940 939927852 /nfs/dbraw/zinc/92/78/52/939927852.db2.gz HSKVTOOWWPYKHJ-KRWDZBQOSA-N 1 1 363.230 3.625 20 30 FHEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](CO)c1cccc(Br)c1 ZINC000179738940 939927853 /nfs/dbraw/zinc/92/78/53/939927853.db2.gz HSKVTOOWWPYKHJ-KRWDZBQOSA-N 1 1 363.230 3.625 20 30 FHEDMO C=C(C)COc1cc(C[NH2+]Cc2cn3ccc(C)cc3n2)ccc1OC ZINC000518275276 945282358 /nfs/dbraw/zinc/28/23/58/945282358.db2.gz NDNQKLACBCNPSZ-UHFFFAOYSA-N 1 1 351.450 3.896 20 30 FHEDMO C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364584887 939967258 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FHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000177562182 940278062 /nfs/dbraw/zinc/27/80/62/940278062.db2.gz HYWNTBHITMZFJU-RBUKOAKNSA-N 1 1 351.494 3.978 20 30 FHEDMO C[C@H](C#N)Oc1ccc(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000177562182 940278063 /nfs/dbraw/zinc/27/80/63/940278063.db2.gz HYWNTBHITMZFJU-RBUKOAKNSA-N 1 1 351.494 3.978 20 30 FHEDMO C[C@H](C#N)Oc1ccc(CNCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000177562182 940278065 /nfs/dbraw/zinc/27/80/65/940278065.db2.gz HYWNTBHITMZFJU-RBUKOAKNSA-N 1 1 351.494 3.978 20 30 FHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000177562182 940278067 /nfs/dbraw/zinc/27/80/67/940278067.db2.gz HYWNTBHITMZFJU-RBUKOAKNSA-N 1 1 351.494 3.978 20 30 FHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000298790977 945312356 /nfs/dbraw/zinc/31/23/56/945312356.db2.gz YISDOCWRWLVWTH-CHWSQXEVSA-N 1 1 351.376 3.620 20 30 FHEDMO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1OC)c1cccc(C#N)c1O ZINC000924565982 940458470 /nfs/dbraw/zinc/45/84/70/940458470.db2.gz ULWCQGOIOWYDGT-MRXNPFEDSA-N 1 1 356.422 3.531 20 30 FHEDMO N#Cc1cscc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000580547428 940479018 /nfs/dbraw/zinc/47/90/18/940479018.db2.gz XXXCCJJGPOEPPI-KRWDZBQOSA-N 1 1 359.882 3.840 20 30 FHEDMO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601243 940482149 /nfs/dbraw/zinc/48/21/49/940482149.db2.gz CZORWRISLHJAMH-LJQANCHMSA-N 1 1 369.534 3.761 20 30 FHEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601243 940482150 /nfs/dbraw/zinc/48/21/50/940482150.db2.gz CZORWRISLHJAMH-LJQANCHMSA-N 1 1 369.534 3.761 20 30 FHEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601243 940482151 /nfs/dbraw/zinc/48/21/51/940482151.db2.gz CZORWRISLHJAMH-LJQANCHMSA-N 1 1 369.534 3.761 20 30 FHEDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601243 940482153 /nfs/dbraw/zinc/48/21/53/940482153.db2.gz CZORWRISLHJAMH-LJQANCHMSA-N 1 1 369.534 3.761 20 30 FHEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(C#N)cc1F ZINC000580861012 940489638 /nfs/dbraw/zinc/48/96/38/940489638.db2.gz QMCQMEBBFYFIAO-FQEVSTJZSA-N 1 1 352.457 3.579 20 30 FHEDMO C[C@@H]1[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000581334501 940499441 /nfs/dbraw/zinc/49/94/41/940499441.db2.gz YTBPIZVINQEVFC-RDTXWAMCSA-N 1 1 368.868 3.996 20 30 FHEDMO COc1ccc([C@@H](C)[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000581924092 940638459 /nfs/dbraw/zinc/63/84/59/940638459.db2.gz YINWEINNBREWOA-IERDGZPVSA-N 1 1 363.461 3.755 20 30 FHEDMO C[C@@H](c1ccccc1F)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582235115 940656129 /nfs/dbraw/zinc/65/61/29/940656129.db2.gz WRVFHGAFUVAESN-MGPUTAFESA-N 1 1 351.425 3.886 20 30 FHEDMO C[C@@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582235115 940656132 /nfs/dbraw/zinc/65/61/32/940656132.db2.gz WRVFHGAFUVAESN-MGPUTAFESA-N 1 1 351.425 3.886 20 30 FHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(F)c(F)c1 ZINC000187791319 940720696 /nfs/dbraw/zinc/72/06/96/940720696.db2.gz FFTNLYKCWJXIPN-KBXCAEBGSA-N 1 1 361.436 3.903 20 30 FHEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330079212 945346662 /nfs/dbraw/zinc/34/66/62/945346662.db2.gz ODOIRYMCSMCSDL-MNEFBYGVSA-N 1 1 369.509 3.809 20 30 FHEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330104825 945358646 /nfs/dbraw/zinc/35/86/46/945358646.db2.gz HUCSVQVNASGVOD-NTLWEQJWSA-N 1 1 360.498 3.671 20 30 FHEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330104825 945358655 /nfs/dbraw/zinc/35/86/55/945358655.db2.gz HUCSVQVNASGVOD-NTLWEQJWSA-N 1 1 360.498 3.671 20 30 FHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000330109580 945359856 /nfs/dbraw/zinc/35/98/56/945359856.db2.gz PJCLUGGQWUPSOF-MSOLQXFVSA-N 1 1 374.529 3.878 20 30 FHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H]2CCC3(CCCCC3)O2)C1 ZINC000330109581 945360152 /nfs/dbraw/zinc/36/01/52/945360152.db2.gz PJCLUGGQWUPSOF-QZTJIDSGSA-N 1 1 374.529 3.878 20 30 FHEDMO C[NH+](C)[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1Cl ZINC000176173663 940996496 /nfs/dbraw/zinc/99/64/96/940996496.db2.gz ACMBSRNKGOMZLW-INIZCTEOSA-N 1 1 363.795 3.523 20 30 FHEDMO Cc1oc2ccc(NC(=O)NC(C)(C)CCN3CC[NH+](C)CC3)cc2c1C ZINC000330129134 945367946 /nfs/dbraw/zinc/36/79/46/945367946.db2.gz DTVVYMLXDTUMQR-UHFFFAOYSA-N 1 1 372.513 3.601 20 30 FHEDMO C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180857781 941086042 /nfs/dbraw/zinc/08/60/42/941086042.db2.gz LQNIVGHGRYITOW-RDJZCZTQSA-N 1 1 371.529 3.889 20 30 FHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000181207817 941110857 /nfs/dbraw/zinc/11/08/57/941110857.db2.gz CGDMRQJFCNRBNV-INIZCTEOSA-N 1 1 359.271 3.998 20 30 FHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000181207817 941110858 /nfs/dbraw/zinc/11/08/58/941110858.db2.gz CGDMRQJFCNRBNV-INIZCTEOSA-N 1 1 359.271 3.998 20 30 FHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc2c(c1)OCO2 ZINC000181224814 941113179 /nfs/dbraw/zinc/11/31/79/941113179.db2.gz FKIAKFWGCYRTCF-NSHDSACASA-N 1 1 359.223 3.900 20 30 FHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177539341 941135053 /nfs/dbraw/zinc/13/50/53/941135053.db2.gz ILXIYYHOIUMBMK-YESZJQIVSA-N 1 1 357.523 3.999 20 30 FHEDMO Cc1sc(NC(=O)C[N@@H+](C)CC2(c3ccccc3)CC2)c(C#N)c1C ZINC000189319872 941156087 /nfs/dbraw/zinc/15/60/87/941156087.db2.gz OFPVFOFOXLUICU-UHFFFAOYSA-N 1 1 353.491 3.839 20 30 FHEDMO Cc1sc(NC(=O)C[N@H+](C)CC2(c3ccccc3)CC2)c(C#N)c1C ZINC000189319872 941156088 /nfs/dbraw/zinc/15/60/88/941156088.db2.gz OFPVFOFOXLUICU-UHFFFAOYSA-N 1 1 353.491 3.839 20 30 FHEDMO CC[C@@](C)(O)C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000189722615 941267790 /nfs/dbraw/zinc/26/77/90/941267790.db2.gz CUWPWCCOGSSAMP-JOCHJYFZSA-N 1 1 365.477 3.550 20 30 FHEDMO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4ccc(C#N)cc4)CC3)oc21 ZINC000189810039 941285189 /nfs/dbraw/zinc/28/51/89/941285189.db2.gz OIPDBFMDZXIAFI-UHFFFAOYSA-N 1 1 374.444 3.826 20 30 FHEDMO N#CCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000180138046 941353067 /nfs/dbraw/zinc/35/30/67/941353067.db2.gz BGMWCMSWNWIOQD-FRIKZZABSA-N 1 1 361.489 3.874 20 30 FHEDMO N#CCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000180138046 941353069 /nfs/dbraw/zinc/35/30/69/941353069.db2.gz BGMWCMSWNWIOQD-FRIKZZABSA-N 1 1 361.489 3.874 20 30 FHEDMO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)cn1 ZINC000376841779 941448031 /nfs/dbraw/zinc/44/80/31/941448031.db2.gz JPRYMRJNUZSCKH-ZDUSSCGKSA-N 1 1 350.447 3.936 20 30 FHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(C)(C)CCC#N ZINC000376992621 941489019 /nfs/dbraw/zinc/48/90/19/941489019.db2.gz ITBPHEYBZUTVPR-SFHVURJKSA-N 1 1 356.514 3.622 20 30 FHEDMO C[C@H]1CCN(C(=O)NCC(C)(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000377043496 941501604 /nfs/dbraw/zinc/50/16/04/941501604.db2.gz FMTMWNIAKJSWSW-SFHVURJKSA-N 1 1 356.514 3.622 20 30 FHEDMO CC[N@@H+](CCC1CCN(c2nc3ccccn3c2C#N)CC1)CC(C)C ZINC000541113410 941605604 /nfs/dbraw/zinc/60/56/04/941605604.db2.gz ALTDRGXSCLNUJL-UHFFFAOYSA-N 1 1 353.514 3.790 20 30 FHEDMO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+]CCC#N)cc2)cc1 ZINC000584524458 941616792 /nfs/dbraw/zinc/61/67/92/941616792.db2.gz GDGZXCNWXRKJNZ-UHFFFAOYSA-N 1 1 351.450 3.796 20 30 FHEDMO COC(=O)[C@H](C)C[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000472759559 941694332 /nfs/dbraw/zinc/69/43/32/941694332.db2.gz YWBMYBCYAMVUHW-GOSISDBHSA-N 1 1 350.462 3.627 20 30 FHEDMO N#CCOc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000729267367 941705526 /nfs/dbraw/zinc/70/55/26/941705526.db2.gz SJEHQBFMGJSHPU-UHFFFAOYSA-N 1 1 373.859 3.699 20 30 FHEDMO N#CCOc1ccc(C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000729267257 941705958 /nfs/dbraw/zinc/70/59/58/941705958.db2.gz NTNVLDUURLDRIT-UHFFFAOYSA-N 1 1 373.859 3.699 20 30 FHEDMO C=C(C)Cn1c(CC)nnc1N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000549246421 941735802 /nfs/dbraw/zinc/73/58/02/941735802.db2.gz IINCIHGYADIDQK-LJQANCHMSA-N 1 1 353.514 3.517 20 30 FHEDMO C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000549247868 941738728 /nfs/dbraw/zinc/73/87/28/941738728.db2.gz FLGANOQGRATBRT-ZWKOTPCHSA-N 1 1 357.546 3.822 20 30 FHEDMO C=C(C)Cn1c(C)nnc1N1CC[N@@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000549273143 941812190 /nfs/dbraw/zinc/81/21/90/941812190.db2.gz USTWOKNUAIFIMF-HXUWFJFHSA-N 1 1 353.514 3.654 20 30 FHEDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1cccs1 ZINC000513281063 941828661 /nfs/dbraw/zinc/82/86/61/941828661.db2.gz JKWGDBVNASIIIC-MGPUTAFESA-N 1 1 371.481 3.501 20 30 FHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(OC(C)(C)C)CC2)cc1 ZINC000119079480 941869353 /nfs/dbraw/zinc/86/93/53/941869353.db2.gz PDUZIVACCUVJLF-SFHVURJKSA-N 1 1 371.525 3.910 20 30 FHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(OC(C)(C)C)CC2)cc1 ZINC000119079375 941869426 /nfs/dbraw/zinc/86/94/26/941869426.db2.gz PDUZIVACCUVJLF-GOSISDBHSA-N 1 1 371.525 3.910 20 30 FHEDMO N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)cc1 ZINC000365643347 941886278 /nfs/dbraw/zinc/88/62/78/941886278.db2.gz MBTNXLWIDQKKRV-FQEVSTJZSA-N 1 1 356.429 3.616 20 30 FHEDMO CCc1ccc([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)cc1 ZINC000513395933 941890226 /nfs/dbraw/zinc/89/02/26/941890226.db2.gz BRGPUSXMCSRKMR-QFIPXVFZSA-N 1 1 361.489 3.616 20 30 FHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000513398496 941895281 /nfs/dbraw/zinc/89/52/81/941895281.db2.gz TZJRZPJPNBXYPO-SFHVURJKSA-N 1 1 352.434 3.619 20 30 FHEDMO C[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000549366085 942059109 /nfs/dbraw/zinc/05/91/09/942059109.db2.gz IVJMSWBXWLOEKU-JQWIXIFHSA-N 1 1 359.779 3.921 20 30 FHEDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000549366085 942059116 /nfs/dbraw/zinc/05/91/16/942059116.db2.gz IVJMSWBXWLOEKU-JQWIXIFHSA-N 1 1 359.779 3.921 20 30 FHEDMO CC(C)[N@@H+]1CC[C@H](Nc2cncc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420598112 942122794 /nfs/dbraw/zinc/12/27/94/942122794.db2.gz BONDDUFWTVYNHX-WMZOPIPTSA-N 1 1 359.836 3.777 20 30 FHEDMO CC(C)[N@H+]1CC[C@H](Nc2cncc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420598112 942122795 /nfs/dbraw/zinc/12/27/95/942122795.db2.gz BONDDUFWTVYNHX-WMZOPIPTSA-N 1 1 359.836 3.777 20 30 FHEDMO COc1ccc(C[N@@H+](CCCSCC#N)CCc2ccccn2)cc1 ZINC000280499618 942191839 /nfs/dbraw/zinc/19/18/39/942191839.db2.gz MWLWECPGXLCIHB-UHFFFAOYSA-N 1 1 355.507 3.782 20 30 FHEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CCCC#N)c3ccccc3)CC[C@H]21 ZINC000458809113 942242559 /nfs/dbraw/zinc/24/25/59/942242559.db2.gz ZWKRMNMCPRASDJ-VAMGGRTRSA-N 1 1 354.498 3.547 20 30 FHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(CN2CCOCC2)c1 ZINC000420900872 942246057 /nfs/dbraw/zinc/24/60/57/942246057.db2.gz IWRNYZAJQLYDFT-UHFFFAOYSA-N 1 1 363.505 3.803 20 30 FHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC(C)(C)CCC#N ZINC000502175127 942264612 /nfs/dbraw/zinc/26/46/12/942264612.db2.gz QOOWCFMFBRCSHE-IBGZPJMESA-N 1 1 358.530 3.772 20 30 FHEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](CC(F)(F)F)C3)C2=O)cc1 ZINC000420954399 942273954 /nfs/dbraw/zinc/27/39/54/942273954.db2.gz UUSCMKUFBNLYHZ-DOTOQJQBSA-N 1 1 365.399 3.718 20 30 FHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000420956470 942275775 /nfs/dbraw/zinc/27/57/75/942275775.db2.gz YJPCPISXFYEMKJ-OAHLLOKOSA-N 1 1 353.388 3.598 20 30 FHEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000420956470 942275779 /nfs/dbraw/zinc/27/57/79/942275779.db2.gz YJPCPISXFYEMKJ-OAHLLOKOSA-N 1 1 353.388 3.598 20 30 FHEDMO CC[N@@H+](CCOc1ccccc1C)CCC(=O)Nc1sccc1C#N ZINC000420971004 942285530 /nfs/dbraw/zinc/28/55/30/942285530.db2.gz HAKQJKSWKQKELG-UHFFFAOYSA-N 1 1 357.479 3.658 20 30 FHEDMO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1OCCCC#N ZINC000414490047 942301592 /nfs/dbraw/zinc/30/15/92/942301592.db2.gz UVRFYOLSVUEJMX-UXHICEINSA-N 1 1 366.461 3.686 20 30 FHEDMO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCc1ccc(F)c(C#N)c1Cl ZINC000366775723 942343184 /nfs/dbraw/zinc/34/31/84/942343184.db2.gz WJIVOPQFCGBDOI-KUHUBIRLSA-N 1 1 372.875 3.746 20 30 FHEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCc1ccc(F)c(C#N)c1Cl ZINC000366775723 942343188 /nfs/dbraw/zinc/34/31/88/942343188.db2.gz WJIVOPQFCGBDOI-KUHUBIRLSA-N 1 1 372.875 3.746 20 30 FHEDMO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1OC ZINC000628338539 942376808 /nfs/dbraw/zinc/37/68/08/942376808.db2.gz NQNCKTXXUWLXAF-KDURUIRLSA-N 1 1 351.874 3.772 20 30 FHEDMO Clc1ccccc1C#CC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549406408 942456256 /nfs/dbraw/zinc/45/62/56/942456256.db2.gz RKTWKVPLRWDGIX-UHFFFAOYSA-N 1 1 362.864 3.937 20 30 FHEDMO CCc1oc(C(=O)OC)cc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528152 942502405 /nfs/dbraw/zinc/50/24/05/942502405.db2.gz JVSKFUCWSJLYSA-UHFFFAOYSA-N 1 1 350.418 3.790 20 30 FHEDMO Cc1[nH+]ccn1CCCN(C)c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000120210068 942508554 /nfs/dbraw/zinc/50/85/54/942508554.db2.gz MURNESNPZIEVNX-UHFFFAOYSA-N 1 1 371.391 3.739 20 30 FHEDMO 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C=CCN1CC[C@@H]([N@@H+](C)CC/C=C\c2ccc(Br)cc2)C1=O ZINC000500008131 943944257 /nfs/dbraw/zinc/94/42/57/943944257.db2.gz INNOOPQANLKXFM-XQDHMALISA-N 1 1 363.299 3.571 20 30 FHEDMO CCCCCCCCCC(=O)N1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001270237672 943945341 /nfs/dbraw/zinc/94/53/41/943945341.db2.gz FKKGRQBPSPLPJI-UHFFFAOYSA-N 1 1 360.546 3.975 20 30 FHEDMO N#CCCCOc1cccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000506084948 943997203 /nfs/dbraw/zinc/99/72/03/943997203.db2.gz DRYFPIBTVNZKPK-UHFFFAOYSA-N 1 1 374.488 3.559 20 30 FHEDMO N#CCCCOc1cccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000506084948 943997214 /nfs/dbraw/zinc/99/72/14/943997214.db2.gz DRYFPIBTVNZKPK-UHFFFAOYSA-N 1 1 374.488 3.559 20 30 FHEDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccc(C#Cc2ccccc2)cc1 ZINC001125920508 944004107 /nfs/dbraw/zinc/00/41/07/944004107.db2.gz ZZDRRYMGDQVTSG-UHFFFAOYSA-N 1 1 364.408 3.919 20 30 FHEDMO CCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000425853227 944012010 /nfs/dbraw/zinc/01/20/10/944012010.db2.gz VSESPJCCYDTLGC-RAUXBKROSA-N 1 1 354.498 3.546 20 30 FHEDMO N#CCCC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000431969982 944059669 /nfs/dbraw/zinc/05/96/69/944059669.db2.gz GTDFZERHLDHNRQ-QUCCMNQESA-N 1 1 354.498 3.738 20 30 FHEDMO C=CCC1(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CCOCC1 ZINC000424679469 944059750 /nfs/dbraw/zinc/05/97/50/944059750.db2.gz LNJGNNFLMWKITO-HDICACEKSA-N 1 1 372.509 3.607 20 30 FHEDMO C=CCC1(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CCOCC1 ZINC000424679469 944059756 /nfs/dbraw/zinc/05/97/56/944059756.db2.gz LNJGNNFLMWKITO-HDICACEKSA-N 1 1 372.509 3.607 20 30 FHEDMO C=CCC1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000424738118 944095571 /nfs/dbraw/zinc/09/55/71/944095571.db2.gz ONAHEFPWBXWXCY-LJQANCHMSA-N 1 1 362.558 3.862 20 30 FHEDMO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1(C#N)CCC1 ZINC000418143796 944196371 /nfs/dbraw/zinc/19/63/71/944196371.db2.gz RECIHZUPTUCBAC-UHFFFAOYSA-N 1 1 359.271 3.727 20 30 FHEDMO CN(C(=O)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000500175535 944217562 /nfs/dbraw/zinc/21/75/62/944217562.db2.gz ZVJMZHDSYYLIFM-OAQYLSRUSA-N 1 1 353.510 3.725 20 30 FHEDMO C[C@@]1(c2ccccc2)CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000500186174 944225607 /nfs/dbraw/zinc/22/56/07/944225607.db2.gz PSNTYYDRIAPHKC-FYYLOGMGSA-N 1 1 359.473 3.717 20 30 FHEDMO COc1ccc(OCC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000425528934 944238599 /nfs/dbraw/zinc/23/85/99/944238599.db2.gz AAJFTNVYQXASJA-CQSZACIVSA-N 1 1 355.394 3.547 20 30 FHEDMO CC(C)Oc1cccc(CNC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425530355 944251721 /nfs/dbraw/zinc/25/17/21/944251721.db2.gz DYFLXRFHASMXIQ-KRWDZBQOSA-N 1 1 365.477 3.655 20 30 FHEDMO CC(C)Oc1cccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425530355 944251731 /nfs/dbraw/zinc/25/17/31/944251731.db2.gz DYFLXRFHASMXIQ-KRWDZBQOSA-N 1 1 365.477 3.655 20 30 FHEDMO COC(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1C#N ZINC000550011719 944275986 /nfs/dbraw/zinc/27/59/86/944275986.db2.gz ZQARPLSULWISBM-KRWDZBQOSA-N 1 1 370.836 3.652 20 30 FHEDMO COC(=O)c1cccc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1C#N ZINC000550011719 944275999 /nfs/dbraw/zinc/27/59/99/944275999.db2.gz ZQARPLSULWISBM-KRWDZBQOSA-N 1 1 370.836 3.652 20 30 FHEDMO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425542923 944287549 /nfs/dbraw/zinc/28/75/49/944287549.db2.gz YXFMJGGBZIYCCY-IRXDYDNUSA-N 1 1 365.477 3.779 20 30 FHEDMO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425542923 944287558 /nfs/dbraw/zinc/28/75/58/944287558.db2.gz YXFMJGGBZIYCCY-IRXDYDNUSA-N 1 1 365.477 3.779 20 30 FHEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000438064038 944322602 /nfs/dbraw/zinc/32/26/02/944322602.db2.gz IVACREGACQIZMH-UHFFFAOYSA-N 1 1 373.460 3.588 20 30 FHEDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000517557926 944389867 /nfs/dbraw/zinc/38/98/67/944389867.db2.gz YMYAWDPURQMPNO-MRXNPFEDSA-N 1 1 365.502 3.627 20 30 FHEDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000517557926 944389875 /nfs/dbraw/zinc/38/98/75/944389875.db2.gz YMYAWDPURQMPNO-MRXNPFEDSA-N 1 1 365.502 3.627 20 30 FHEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H](CCO)c1ccccc1 ZINC000438187661 944404750 /nfs/dbraw/zinc/40/47/50/944404750.db2.gz IGLDUFJZQWOSQP-LJQANCHMSA-N 1 1 363.379 3.992 20 30 FHEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1 ZINC000518509904 944455035 /nfs/dbraw/zinc/45/50/35/944455035.db2.gz WWJAXMQFSOBBRY-UHFFFAOYSA-N 1 1 370.474 3.515 20 30 FHEDMO C=C(C)C[N@@H+](CC)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000505872394 944564775 /nfs/dbraw/zinc/56/47/75/944564775.db2.gz NAGHXMGBBYROTD-UHFFFAOYSA-N 1 1 362.348 3.943 20 30 FHEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000505872394 944564784 /nfs/dbraw/zinc/56/47/84/944564784.db2.gz NAGHXMGBBYROTD-UHFFFAOYSA-N 1 1 362.348 3.943 20 30 FHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000516242585 944612241 /nfs/dbraw/zinc/61/22/41/944612241.db2.gz QUJHRAXZPPUKLN-FGTMMUONSA-N 1 1 361.505 3.890 20 30 FHEDMO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)c(C)o1 ZINC000439436427 944614966 /nfs/dbraw/zinc/61/49/66/944614966.db2.gz WYHIRPVISUAMLV-UHFFFAOYSA-N 1 1 371.868 3.816 20 30 FHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000516245330 944629555 /nfs/dbraw/zinc/62/95/55/944629555.db2.gz GZDYAPZRSVDBJN-CEXWTWQISA-N 1 1 373.541 3.759 20 30 FHEDMO Cc1sc(NC(=O)C[N@H+](C)CCCOCc2ccccc2)c(C#N)c1C ZINC000439474159 944656650 /nfs/dbraw/zinc/65/66/50/944656650.db2.gz WZQXNDFFLNNWDY-UHFFFAOYSA-N 1 1 371.506 3.714 20 30 FHEDMO Cc1sc(NC(=O)C[N@@H+](C)CCCOCc2ccccc2)c(C#N)c1C ZINC000439474159 944656654 /nfs/dbraw/zinc/65/66/54/944656654.db2.gz WZQXNDFFLNNWDY-UHFFFAOYSA-N 1 1 371.506 3.714 20 30 FHEDMO C[N@H+](CCCOCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000439465643 944665382 /nfs/dbraw/zinc/66/53/82/944665382.db2.gz GBLRASHJGMHTNH-UHFFFAOYSA-N 1 1 371.868 3.689 20 30 FHEDMO C[N@@H+](CCCOCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000439465643 944665387 /nfs/dbraw/zinc/66/53/87/944665387.db2.gz GBLRASHJGMHTNH-UHFFFAOYSA-N 1 1 371.868 3.689 20 30 FHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000566719523 944668123 /nfs/dbraw/zinc/66/81/23/944668123.db2.gz DNXRDFDHPUAOJZ-MQSCRBSSSA-N 1 1 362.473 3.587 20 30 FHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438492627 944685386 /nfs/dbraw/zinc/68/53/86/944685386.db2.gz PLBRZGBYBNVVKG-AUSIDOKSSA-N 1 1 361.489 3.985 20 30 FHEDMO CCCCCCCC(=O)N1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001270134272 944704210 /nfs/dbraw/zinc/70/42/10/944704210.db2.gz KMGLXWWTBYWBMO-UHFFFAOYSA-N 1 1 360.546 3.558 20 30 FHEDMO CCCCCCCC(=O)N1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001270134480 944705993 /nfs/dbraw/zinc/70/59/93/944705993.db2.gz NAZVVTAECBBASX-NRFANRHFSA-N 1 1 350.547 3.983 20 30 FHEDMO CCCCCCCC(=O)N1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001270134854 944710709 /nfs/dbraw/zinc/71/07/09/944710709.db2.gz VYIVOQMILRKISY-UHFFFAOYSA-N 1 1 360.546 3.975 20 30 FHEDMO C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccc(C#N)cc1 ZINC000506912014 944739291 /nfs/dbraw/zinc/73/92/91/944739291.db2.gz BEWLJCYJNCLHSY-WSTZPKSXSA-N 1 1 368.525 3.915 20 30 FHEDMO Cc1ccccc1OCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000053721362 944746319 /nfs/dbraw/zinc/74/63/19/944746319.db2.gz BMSIYOKBABHDMV-KRWDZBQOSA-N 1 1 351.450 3.595 20 30 FHEDMO N#CC1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCCC1 ZINC000518807247 944788262 /nfs/dbraw/zinc/78/82/62/944788262.db2.gz HONWDVQVWLHBEN-SFHVURJKSA-N 1 1 359.901 3.895 20 30 FHEDMO N#CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCCC1 ZINC000518807247 944788266 /nfs/dbraw/zinc/78/82/66/944788266.db2.gz HONWDVQVWLHBEN-SFHVURJKSA-N 1 1 359.901 3.895 20 30 FHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000425651136 944795397 /nfs/dbraw/zinc/79/53/97/944795397.db2.gz UMPNNOAALZOCOF-MAUKXSAKSA-N 1 1 351.454 3.869 20 30 FHEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@H+]1CCCC[C@H]1C ZINC000438641520 944876597 /nfs/dbraw/zinc/87/65/97/944876597.db2.gz MIGNHHYQDJCFQA-OLZOCXBDSA-N 1 1 368.403 3.961 20 30 FHEDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000518032130 944952455 /nfs/dbraw/zinc/95/24/55/944952455.db2.gz AVYIFCKGMMNFQQ-UHFFFAOYSA-N 1 1 369.440 3.950 20 30 FHEDMO C[C@H]1C[NH+](CC2CCN(CC#Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000427012080 944996452 /nfs/dbraw/zinc/99/64/52/944996452.db2.gz MLLQHGVBOOOSLH-ROUUACIJSA-N 1 1 360.929 3.513 20 30 FHEDMO Oc1cccc(C[NH+]2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000427003926 945005747 /nfs/dbraw/zinc/00/57/47/945005747.db2.gz BSNNQTMECCWCMX-UHFFFAOYSA-N 1 1 374.406 3.580 20 30 FHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507199050 945025354 /nfs/dbraw/zinc/02/53/54/945025354.db2.gz DOASEDLEDVPYML-PZJWPPBQSA-N 1 1 370.537 3.634 20 30 FHEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](C3CC3)C2)sc2c1CCCC2 ZINC000330135786 945371137 /nfs/dbraw/zinc/37/11/37/945371137.db2.gz MZFPPXPHFJGTRD-INIZCTEOSA-N 1 1 359.495 3.587 20 30 FHEDMO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](C3CC3)C2)sc2c1CCCC2 ZINC000330135786 945371147 /nfs/dbraw/zinc/37/11/47/945371147.db2.gz MZFPPXPHFJGTRD-INIZCTEOSA-N 1 1 359.495 3.587 20 30 FHEDMO CCC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C[C@H]1CCCCO1 ZINC000440305443 945389937 /nfs/dbraw/zinc/38/99/37/945389937.db2.gz KASSELFVWTYNAL-HXUWFJFHSA-N 1 1 371.525 3.831 20 30 FHEDMO O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330209023 945402522 /nfs/dbraw/zinc/40/25/22/945402522.db2.gz BJIQACOZVAOBNL-MRXNPFEDSA-N 1 1 355.463 3.960 20 30 FHEDMO O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330209023 945402528 /nfs/dbraw/zinc/40/25/28/945402528.db2.gz BJIQACOZVAOBNL-MRXNPFEDSA-N 1 1 355.463 3.960 20 30 FHEDMO C=CC[C@@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC000426637069 945425894 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352.503 3.856 20 30 FHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCSc2ccccc21 ZINC000519506596 945508438 /nfs/dbraw/zinc/50/84/38/945508438.db2.gz UJIJRDOTCXPFGW-UHFFFAOYSA-N 1 1 352.503 3.856 20 30 FHEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)o2)cc1 ZINC000281065627 945515294 /nfs/dbraw/zinc/51/52/94/945515294.db2.gz SKSKANINAHRDNE-GUDVDZBRSA-N 1 1 366.465 3.514 20 30 FHEDMO O=C(Nc1ccc2nnc(C3CCC3)n2c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000330310163 945530382 /nfs/dbraw/zinc/53/03/82/945530382.db2.gz NFEOQEMYICXSKL-KRWDZBQOSA-N 1 1 353.470 3.992 20 30 FHEDMO CSCCC[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000281310497 945586628 /nfs/dbraw/zinc/58/66/28/945586628.db2.gz HZZCEUVVNBKMCU-AWEZNQCLSA-N 1 1 351.541 3.704 20 30 FHEDMO CSCCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000281310497 945586635 /nfs/dbraw/zinc/58/66/35/945586635.db2.gz HZZCEUVVNBKMCU-AWEZNQCLSA-N 1 1 351.541 3.704 20 30 FHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000187799021 945599112 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FHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000444251031 946128044 /nfs/dbraw/zinc/12/80/44/946128044.db2.gz PQRDWSDJTAWVKR-NRFANRHFSA-N 1 1 362.477 3.790 20 30 FHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccn1 ZINC000181791860 946208187 /nfs/dbraw/zinc/20/81/87/946208187.db2.gz BKRFAEUFZJERSB-GJZGRUSLSA-N 1 1 354.479 3.623 20 30 FHEDMO CS[C@H]1CCCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000441136228 946260785 /nfs/dbraw/zinc/26/07/85/946260785.db2.gz VGKJKQYGOFPJQR-VIHIWDAPSA-N 1 1 351.560 3.523 20 30 FHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441283656 946379454 /nfs/dbraw/zinc/37/94/54/946379454.db2.gz BPPLJJZUYBFORJ-IAGOWNOFSA-N 1 1 360.523 3.652 20 30 FHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000441337993 946445470 /nfs/dbraw/zinc/44/54/70/946445470.db2.gz KMZAEEWUMBNIES-VMRPVKRXSA-N 1 1 354.425 3.520 20 30 FHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)NCc1cccc(C#N)c1 ZINC000441359240 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372.896 3.709 20 30 FHEDMO N#Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411955 946568752 /nfs/dbraw/zinc/56/87/52/946568752.db2.gz HJDRLXCMRCQHER-YJBOKZPZSA-N 1 1 361.436 3.608 20 30 FHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1OC ZINC000628300787 946592867 /nfs/dbraw/zinc/59/28/67/946592867.db2.gz WTVIXTBDIMBOOV-OAHLLOKOSA-N 1 1 353.890 3.896 20 30 FHEDMO C[C@@H]1C[C@H](CCNC(=O)c2sccc2CC#N)C[N@H+]1Cc1ccccc1 ZINC000866929184 946635439 /nfs/dbraw/zinc/63/54/39/946635439.db2.gz BWDWJJHIVCHZBH-AEFFLSMTSA-N 1 1 367.518 3.845 20 30 FHEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000121407641 946670035 /nfs/dbraw/zinc/67/00/35/946670035.db2.gz SXBSYMVWQHNVAS-BBRMVZONSA-N 1 1 357.454 3.965 20 30 FHEDMO C=CCn1c(C2CC2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000508493942 946698713 /nfs/dbraw/zinc/69/87/13/946698713.db2.gz ZUSWZZZXZHWYJM-FQEVSTJZSA-N 1 1 365.525 3.832 20 30 FHEDMO Cc1cc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)ccc1C#N ZINC000475573202 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362.395 3.741 20 30 FHEDMO CN1CC[C@H](CNC(=[NH2+])N2CCCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305711928 946862336 /nfs/dbraw/zinc/86/23/36/946862336.db2.gz YBVGLCZRDWKQGK-CRAIPNDOSA-N 1 1 366.912 3.663 20 30 FHEDMO CC1(C)CN(C(=O)Nc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000104985887 946873432 /nfs/dbraw/zinc/87/34/32/946873432.db2.gz JABIGNMSENEPLA-UHFFFAOYSA-N 1 1 362.477 3.881 20 30 FHEDMO N#Cc1ccc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)c(F)c1 ZINC000475352275 946926225 /nfs/dbraw/zinc/92/62/25/946926225.db2.gz CVRWJPSBGHRDDW-UHFFFAOYSA-N 1 1 355.379 3.592 20 30 FHEDMO N#Cc1ccc(C[NH+]2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)cc1 ZINC000475359949 946945183 /nfs/dbraw/zinc/94/51/83/946945183.db2.gz FOMNJWNNQSIRJV-UHFFFAOYSA-N 1 1 370.378 3.771 20 30 FHEDMO O=C(CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1cc(F)cc(F)c1 ZINC000328637195 946961157 /nfs/dbraw/zinc/96/11/57/946961157.db2.gz ARMOFAFYWKKNRJ-CQSZACIVSA-N 1 1 374.435 3.965 20 30 FHEDMO Cc1cccc(NC(=O)CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328643481 946962820 /nfs/dbraw/zinc/96/28/20/946962820.db2.gz FLNUWYUAUPVQAN-KRWDZBQOSA-N 1 1 352.482 3.995 20 30 FHEDMO O=C1CCCC12CC[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000661957899 946970743 /nfs/dbraw/zinc/97/07/43/946970743.db2.gz GWXBTPOMTLJDFV-UHFFFAOYSA-N 1 1 351.368 3.772 20 30 FHEDMO Cc1nc([C@@H]2CCCN(C([O-])=[NH+]C[C@@H]3CCCn4cc[nH+]c43)C2)sc1C ZINC000328597746 946978079 /nfs/dbraw/zinc/97/80/79/946978079.db2.gz AMDMDNRMKOUKKJ-JKSUJKDBSA-N 1 1 373.526 3.627 20 30 FHEDMO C=CCOc1ccccc1CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182635785 946980082 /nfs/dbraw/zinc/98/00/82/946980082.db2.gz BDZVQYYWZVGOJV-IEBWSBKVSA-N 1 1 371.525 3.704 20 30 FHEDMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328690560 946989191 /nfs/dbraw/zinc/98/91/91/946989191.db2.gz BSYSPICNTPCLAC-IJXRJRJASA-N 1 1 374.525 3.957 20 30 FHEDMO Cc1ccc2nc(C)c(C(=O)NC3CCN(c4[nH+]ccn4C)CC3)cc2c1 ZINC000328788774 947046633 /nfs/dbraw/zinc/04/66/33/947046633.db2.gz XWZNMBCLQVPZQU-UHFFFAOYSA-N 1 1 363.465 3.559 20 30 FHEDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000328791987 947047837 /nfs/dbraw/zinc/04/78/37/947047837.db2.gz RECISYRXFGYSRM-KBPBESRZSA-N 1 1 369.494 3.886 20 30 FHEDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000328791987 947047854 /nfs/dbraw/zinc/04/78/54/947047854.db2.gz RECISYRXFGYSRM-KBPBESRZSA-N 1 1 369.494 3.886 20 30 FHEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328789936 947048305 /nfs/dbraw/zinc/04/83/05/947048305.db2.gz QBSSHZYASDIJFW-NVXWUHKLSA-N 1 1 374.481 3.573 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000328796495 947049007 /nfs/dbraw/zinc/04/90/07/947049007.db2.gz UUQQCUJCOFJZIN-BFUOFWGJSA-N 1 1 358.442 3.638 20 30 FHEDMO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000328796422 947049737 /nfs/dbraw/zinc/04/97/37/947049737.db2.gz DCAAJLHQIAEAIL-HNNXBMFYSA-N 1 1 365.543 3.915 20 30 FHEDMO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)on1 ZINC000328803416 947052798 /nfs/dbraw/zinc/05/27/98/947052798.db2.gz JYTTWVIYEWIRPC-QRQLOZEOSA-N 1 1 368.481 3.869 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)o2)c1 ZINC000075748379 947060388 /nfs/dbraw/zinc/06/03/88/947060388.db2.gz JFIPRWMFOJJAIA-GOSISDBHSA-N 1 1 362.458 3.898 20 30 FHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCS[C@@H](c4ccccc4)C3)o2)c1 ZINC000075748379 947060398 /nfs/dbraw/zinc/06/03/98/947060398.db2.gz JFIPRWMFOJJAIA-GOSISDBHSA-N 1 1 362.458 3.898 20 30 FHEDMO Cc1c(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cccc1OCC(F)(F)F ZINC000328874058 947077768 /nfs/dbraw/zinc/07/77/68/947077768.db2.gz JIXIILUSWUBDIM-GJZGRUSLSA-N 1 1 371.403 3.698 20 30 FHEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000328890711 947084459 /nfs/dbraw/zinc/08/44/59/947084459.db2.gz RYDBRQUQUKRTOA-HUUCEWRRSA-N 1 1 351.516 3.525 20 30 FHEDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)c1 ZINC000328941303 947094567 /nfs/dbraw/zinc/09/45/67/947094567.db2.gz FGVKMVHYWOANGQ-NEOGFGCTSA-N 1 1 360.498 3.532 20 30 FHEDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1F ZINC000328951559 947098787 /nfs/dbraw/zinc/09/87/87/947098787.db2.gz CPFVYOBZTKJWDN-OCCSQVGLSA-N 1 1 358.417 3.861 20 30 FHEDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1F ZINC000328951559 947098799 /nfs/dbraw/zinc/09/87/99/947098799.db2.gz CPFVYOBZTKJWDN-OCCSQVGLSA-N 1 1 358.417 3.861 20 30 FHEDMO COc1cccc([C@H](CNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000328955793 947100912 /nfs/dbraw/zinc/10/09/12/947100912.db2.gz ZAHRFSJZCMGHPI-WDYCEAGBSA-N 1 1 358.482 3.794 20 30 FHEDMO Cc1ncc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000328905064 947102575 /nfs/dbraw/zinc/10/25/75/947102575.db2.gz AMGJOMPPGBKJDD-LRDDRELGSA-N 1 1 350.825 3.508 20 30 FHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000328919733 947108907 /nfs/dbraw/zinc/10/89/07/947108907.db2.gz BRRGOSHYWVNDMV-BRWVUGGUSA-N 1 1 362.518 3.590 20 30 FHEDMO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000328992608 947136748 /nfs/dbraw/zinc/13/67/48/947136748.db2.gz FVRGOBPWFDKIGZ-HNNXBMFYSA-N 1 1 360.454 3.675 20 30 FHEDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000444360869 947153800 /nfs/dbraw/zinc/15/38/00/947153800.db2.gz FUVFFYARZLMSRN-QGZVFWFLSA-N 1 1 352.482 3.548 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)[C@@H](C)C1 ZINC000330501604 947203421 /nfs/dbraw/zinc/20/34/21/947203421.db2.gz VBBGGZJKUGMQPY-DZGCQCFKSA-N 1 1 371.476 3.684 20 30 FHEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1C ZINC000444783505 947224991 /nfs/dbraw/zinc/22/49/91/947224991.db2.gz KMOKJSYRINJNEN-BBRMVZONSA-N 1 1 355.404 3.586 20 30 FHEDMO C=CC[C@@H]1[N@@H+](CCCS(=O)(=O)c2ccccc2OC)CCCC1(C)C ZINC000444784702 947226480 /nfs/dbraw/zinc/22/64/80/947226480.db2.gz WIFNMGBWAJJWPU-IBGZPJMESA-N 1 1 365.539 3.926 20 30 FHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000662087712 947227403 /nfs/dbraw/zinc/22/74/03/947227403.db2.gz IQXCQZIBAMKXNV-ZVDOUQERSA-N 1 1 354.494 3.932 20 30 FHEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CCCC1(C)C ZINC000444788350 947228985 /nfs/dbraw/zinc/22/89/85/947228985.db2.gz UOJUBAMUKMTVJF-LJQANCHMSA-N 1 1 369.509 3.819 20 30 FHEDMO C[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000444795268 947232957 /nfs/dbraw/zinc/23/29/57/947232957.db2.gz UOLITGKRKNYZGD-SFHVURJKSA-N 1 1 363.505 3.502 20 30 FHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000330688794 947234958 /nfs/dbraw/zinc/23/49/58/947234958.db2.gz DLHDEORPOALWEY-MRXNPFEDSA-N 1 1 374.529 3.615 20 30 FHEDMO COc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1C(C)C ZINC000330707725 947254891 /nfs/dbraw/zinc/25/48/91/947254891.db2.gz MWIZQLXGQWJTIO-GOEBONIOSA-N 1 1 363.502 3.787 20 30 FHEDMO Cc1ccc(OC2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1C ZINC000051991974 947263216 /nfs/dbraw/zinc/26/32/16/947263216.db2.gz LXYZKMYPYHJWRY-PGRDOPGGSA-N 1 1 371.525 3.590 20 30 FHEDMO COC(=O)c1ccc(C(C)C)c(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000330967292 947318530 /nfs/dbraw/zinc/31/85/30/947318530.db2.gz DPAFCNASAPNFPS-HOCLYGCPSA-N 1 1 361.486 3.557 20 30 FHEDMO C=CCNC(=O)c1ccc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1 ZINC000301405834 947328879 /nfs/dbraw/zinc/32/88/79/947328879.db2.gz GPGXXLHAFXSITI-BEFAXECRSA-N 1 1 370.522 3.554 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(NC(C)=O)cc2Cl)[C@@H](C)C1 ZINC000331065527 947338228 /nfs/dbraw/zinc/33/82/28/947338228.db2.gz PLHLDJJOYREHHO-YVEFUNNKSA-N 1 1 366.893 3.506 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)ccc2OC(C)C)C[C@H]1C ZINC000331135696 947354757 /nfs/dbraw/zinc/35/47/57/947354757.db2.gz PXZRMCBNYVSSEA-HZPDHXFCSA-N 1 1 363.502 3.833 20 30 FHEDMO COc1cc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000440609241 947356961 /nfs/dbraw/zinc/35/69/61/947356961.db2.gz DDMXQFOBYDXBNJ-QZTJIDSGSA-N 1 1 363.505 3.813 20 30 FHEDMO COc1cc(CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000440609241 947356948 /nfs/dbraw/zinc/35/69/48/947356948.db2.gz DDMXQFOBYDXBNJ-QZTJIDSGSA-N 1 1 363.505 3.813 20 30 FHEDMO CC(=O)Nc1cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)ccc1C ZINC000331128182 947362687 /nfs/dbraw/zinc/36/26/87/947362687.db2.gz AALYOBZJGSMQIB-GOSISDBHSA-N 1 1 360.502 3.790 20 30 FHEDMO Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000331130931 947363710 /nfs/dbraw/zinc/36/37/10/947363710.db2.gz BEZKAHMHVMQLQC-SFHVURJKSA-N 1 1 374.529 3.533 20 30 FHEDMO CCOC[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093839344 947368745 /nfs/dbraw/zinc/36/87/45/947368745.db2.gz BTWTYOUVYWTCMM-LJQANCHMSA-N 1 1 350.462 3.996 20 30 FHEDMO C=CCN(Cc1cccs1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000662148191 947373225 /nfs/dbraw/zinc/37/32/25/947373225.db2.gz YGNNAFLFPRYNAQ-GOSISDBHSA-N 1 1 355.507 3.720 20 30 FHEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000331269907 947373967 /nfs/dbraw/zinc/37/39/67/947373967.db2.gz ACGSYXQHBJGKDG-ZDUSSCGKSA-N 1 1 374.407 3.642 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C ZINC000331276420 947375220 /nfs/dbraw/zinc/37/52/20/947375220.db2.gz IYHMROZFEBUSAE-WBVHZDCISA-N 1 1 358.486 3.696 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(NC(C)=O)ccc2Cl)C[C@H]1C ZINC000331311246 947383928 /nfs/dbraw/zinc/38/39/28/947383928.db2.gz ZJQPPIGIHWXNSL-DOMZBBRYSA-N 1 1 366.893 3.649 20 30 FHEDMO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1Cl ZINC000331342055 947388934 /nfs/dbraw/zinc/38/89/34/947388934.db2.gz KOLIPLMQZUQWHR-AZKPJATDSA-N 1 1 354.281 3.841 20 30 FHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000331289617 947390321 /nfs/dbraw/zinc/39/03/21/947390321.db2.gz OXNBLUGOKZXLCE-DOMZBBRYSA-N 1 1 368.403 3.927 20 30 FHEDMO CC(C)NC(=O)Nc1cccc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000331291320 947390809 /nfs/dbraw/zinc/39/08/09/947390809.db2.gz KNPPVQWQOHLQOE-UHFFFAOYSA-N 1 1 360.502 3.848 20 30 FHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000331289630 947390929 /nfs/dbraw/zinc/39/09/29/947390929.db2.gz OXNBLUGOKZXLCE-SWLSCSKDSA-N 1 1 368.403 3.927 20 30 FHEDMO CCC(CC)[C@H](CNc1nc(C(F)(F)F)ccc1C#N)[NH+]1CCOCC1 ZINC000523754905 947572659 /nfs/dbraw/zinc/57/26/59/947572659.db2.gz CDCMMQJBXMQZTD-HNNXBMFYSA-N 1 1 370.419 3.521 20 30 FHEDMO COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(C#N)ccc1F ZINC000523790113 947614617 /nfs/dbraw/zinc/61/46/17/947614617.db2.gz XNCGQTOBNPZKTK-UHFFFAOYSA-N 1 1 356.441 3.787 20 30 FHEDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1Cl ZINC000129559806 947824718 /nfs/dbraw/zinc/82/47/18/947824718.db2.gz FEPVTRQYQFKINI-OLZOCXBDSA-N 1 1 351.853 3.861 20 30 FHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000441482546 947898306 /nfs/dbraw/zinc/89/83/06/947898306.db2.gz DGVMCOMKESENGC-YLJYHZDGSA-N 1 1 355.482 3.596 20 30 FHEDMO C[N@H+](Cc1csc2ccccc12)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000046089621 948139501 /nfs/dbraw/zinc/13/95/01/948139501.db2.gz XHMZLSFWUJOHON-GOSISDBHSA-N 1 1 366.486 3.839 20 30 FHEDMO N#Cc1ccc(C[N@H+]2CCCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000432333968 948145357 /nfs/dbraw/zinc/14/53/57/948145357.db2.gz FDHIKLGZVRDORD-UHFFFAOYSA-N 1 1 370.840 3.832 20 30 FHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000432333968 948145362 /nfs/dbraw/zinc/14/53/62/948145362.db2.gz FDHIKLGZVRDORD-UHFFFAOYSA-N 1 1 370.840 3.832 20 30 FHEDMO C=CCN(Cc1cccc(C#N)c1)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000512069348 948353322 /nfs/dbraw/zinc/35/33/22/948353322.db2.gz WXNMDFLYVQSEAQ-UHFFFAOYSA-N 1 1 374.532 3.888 20 30 FHEDMO Cc1nc2ccc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2s1 ZINC000574743371 948420177 /nfs/dbraw/zinc/42/01/77/948420177.db2.gz KPBGYBKFKOVLAA-INIZCTEOSA-N 1 1 350.447 3.525 20 30 FHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCCC[C@@H]2C)c1C#N ZINC000512172045 948637723 /nfs/dbraw/zinc/63/77/23/948637723.db2.gz UUQCWBQEJVUBOJ-HNNXBMFYSA-N 1 1 368.481 3.821 20 30 FHEDMO C[C@H]1C[C@@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC[N@H+]1C ZINC000279296354 948720062 /nfs/dbraw/zinc/72/00/62/948720062.db2.gz ZHVRAHWKRBXHDD-LPHOPBHVSA-N 1 1 363.461 3.806 20 30 FHEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1oc(CC)nc1C ZINC000320636367 948722606 /nfs/dbraw/zinc/72/26/06/948722606.db2.gz HAOHIGPPEIJOFA-UHFFFAOYSA-N 1 1 363.255 3.610 20 30 FHEDMO C=CCN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000054687156 221055672 /nfs/dbraw/zinc/05/56/72/221055672.db2.gz YARMXQQBXRXFOU-UHFFFAOYSA-N 1 1 355.507 3.504 20 30 FHEDMO C=CCN(Cc1ccccc1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000054687156 221055674 /nfs/dbraw/zinc/05/56/74/221055674.db2.gz YARMXQQBXRXFOU-UHFFFAOYSA-N 1 1 355.507 3.504 20 30 FHEDMO C[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568112594 567888581 /nfs/dbraw/zinc/88/85/81/567888581.db2.gz BHIUJOWWUMSZPR-AWEZNQCLSA-N 1 1 353.853 3.987 20 30 FHEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000024662889 567892909 /nfs/dbraw/zinc/89/29/09/567892909.db2.gz LHWNWYLVMWWHMZ-INIZCTEOSA-N 1 1 360.417 3.518 20 30 FHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000024662889 567892910 /nfs/dbraw/zinc/89/29/10/567892910.db2.gz LHWNWYLVMWWHMZ-INIZCTEOSA-N 1 1 360.417 3.518 20 30 FHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000602455695 567982186 /nfs/dbraw/zinc/98/21/86/567982186.db2.gz XOCJVYKHQWOJOD-QGZVFWFLSA-N 1 1 371.506 3.859 20 30 FHEDMO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000602622806 567998712 /nfs/dbraw/zinc/99/87/12/567998712.db2.gz GXPQUOPQQURPQM-ZIAGYGMSSA-N 1 1 358.417 3.625 20 30 FHEDMO C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000602850110 568001127 /nfs/dbraw/zinc/00/11/27/568001127.db2.gz NVENCLRLLQKFKG-IAGOWNOFSA-N 1 1 350.503 3.672 20 30 FHEDMO COc1c(C)cnc(CN2CCC([N@@H+](C)C[C@@H](C)CCC#N)CC2)c1C ZINC000602666524 568013784 /nfs/dbraw/zinc/01/37/84/568013784.db2.gz KKMTWXYTTCTZGY-INIZCTEOSA-N 1 1 358.530 3.543 20 30 FHEDMO Cc1cc(Cl)c2ncc(C#N)c(N[C@H](C)[C@H](C)[NH+]3CCOCC3)c2c1 ZINC000568535664 568048555 /nfs/dbraw/zinc/04/85/55/568048555.db2.gz GEHDZVNNRHLZOM-KGLIPLIRSA-N 1 1 358.873 3.589 20 30 FHEDMO C=CCC[C@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000187026802 568049658 /nfs/dbraw/zinc/04/96/58/568049658.db2.gz NJPBKGZJYPTVKZ-FQEVSTJZSA-N 1 1 351.494 3.951 20 30 FHEDMO N#Cc1cc2c(nc1N1CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)CCC2 ZINC000481990577 568215938 /nfs/dbraw/zinc/21/59/38/568215938.db2.gz DXMBBIZSUWCLFA-OFNKIYASSA-N 1 1 372.516 3.933 20 30 FHEDMO CCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604503380 568302158 /nfs/dbraw/zinc/30/21/58/568302158.db2.gz ISTUKNKIWHIJAK-FQEVSTJZSA-N 1 1 356.441 3.544 20 30 FHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000604520759 568308048 /nfs/dbraw/zinc/30/80/48/568308048.db2.gz MHISSABTTLGMJM-JWUVWSEFSA-N 1 1 371.525 3.529 20 30 FHEDMO CN(C(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1)C1(C#N)CCCCC1 ZINC000604561032 568311503 /nfs/dbraw/zinc/31/15/03/568311503.db2.gz VFNBCHCDIAFIIF-FQEVSTJZSA-N 1 1 353.510 3.768 20 30 FHEDMO CN(C(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1)C1(C#N)CCCCC1 ZINC000604561035 568311512 /nfs/dbraw/zinc/31/15/12/568311512.db2.gz VFNBCHCDIAFIIF-HXUWFJFHSA-N 1 1 353.510 3.768 20 30 FHEDMO COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000365220727 568329765 /nfs/dbraw/zinc/32/97/65/568329765.db2.gz IOAYZNYKGWYRRH-CIQXWFTPSA-N 1 1 371.525 3.519 20 30 FHEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000569723639 568413997 /nfs/dbraw/zinc/41/39/97/568413997.db2.gz MBGDYODIGATWFQ-DNVCBOLYSA-N 1 1 361.449 3.583 20 30 FHEDMO CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1C#N ZINC000570027933 568441893 /nfs/dbraw/zinc/44/18/93/568441893.db2.gz VOAZJDKANIGUBW-INIZCTEOSA-N 1 1 370.497 3.684 20 30 FHEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3ccnc4ccccc43)CC2)cc1 ZINC000570525367 568484304 /nfs/dbraw/zinc/48/43/04/568484304.db2.gz MHCGCQROBVLASL-UHFFFAOYSA-N 1 1 370.456 3.925 20 30 FHEDMO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833616279 604614091 /nfs/dbraw/zinc/61/40/91/604614091.db2.gz YIIQFXWBOVKEEO-QGZVFWFLSA-N 1 1 369.509 3.733 20 30 FHEDMO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833616279 604614093 /nfs/dbraw/zinc/61/40/93/604614093.db2.gz YIIQFXWBOVKEEO-QGZVFWFLSA-N 1 1 369.509 3.733 20 30 FHEDMO